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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.

AlphaFold DB , UniProt , Accession A0A087X1Z1, Species HUMAN (Homo sapiens, Human), Gene TUBGCP5, Length 1,026 aa.

						>A0A087X1Z1_HUMAN|A0A087X1Z1|TUBGCP5
MARHGPPWSRLDAQQERDVRELVRGVAGLQDEADPNFQLALNFAWSNFRFHRFLDVNSHKIEKTIEGIYEKFVIHSDLSKAASWKRLTEEFLNAPLPSIKEIKTDAHYSILSLLLCLSDSPSNSSYVETPRNKEVEKKDDFDWGKYLMEDEEMDIGPYMDTPNWSEESEEENDQQPLSREDSGIQVDRTPLEEQDQNRKLDPCISWKDEPDDRSWLEHHVVHQYWTARPSQFPHSLHLHSNLAAVWDQHLYSSDPLYVPDDRVLVTETQVIRETLWLLSGVKKLFIFQLIDGKVTVRNNIIVTHLTHSCLRSVLEQIAAYGQVVFRLQEFIDEVMGHSSESMLPGSGSVPKKSTEAPFRTYQAFMWALYKYFISFKEELAEIEKCIINNDTTITLAIVVDKLAPRLSQLKVLHKVFSTGVAEVPPDTRNVVRASHLLNTLYKAILEYDNVGEASEQTVSLLFSLWVETVRPYLQTVDEWIVHGHLWDGAREFIIQRNKNVPVNHRDFWYATYTLYSVSEKTENEEKMSDNASASSGSDQGPSSRQHTMVSFLKPVLKQIIMAGKSMQLLKNLQCAESTTCQAGARDAERKSLYTLFLESVQSRLRHGEDSTPQVLTEQQATKENLMKMQSIAESHLELDDVHDPLLAINFARMYLEQSDFHEKFAGGDVCVDRSSESVTCQTFELTLRSCLYPHIDKQYLDCCGNLMQTLKKDYRLVEYLQAMRNFFLMEGGDTMYDFYTSIFDKIREKETWQNVSFLNVQLQEAVGQRYPEDSSRLSISFENVDTAKKKLPVHILDGLTLSYKVPWPVDIVISLECQKIYNQVFLLLLQIKWAKYSLDVLLFGELVSTAEKPRLKEGLIHEQDTVAQFGPQKEPVRQQIHRMFLLRVKLMHFVNSLHNYIMTRILHSTGLEFQHQVEEAKDLDQLIKIHYRYLSTIHDRCLLREKVSFVKEAIMKVLNLALMFADGWQAGLGTWRMESIEKMESDFKNCHMFLVTILNKAVCRGSFPHCLALLPMLERIGTVLAH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	40.9	Very low	244 Å²	244	154.2 Å²	154.2	100%	1.202	79%	0.792	S	S	*	*				0	83.6	0	-73.8	177	171	0	0	108
2	A	31.3	Very low	42.6	Very low	104 Å²	104	146.8 Å²	146.8	86%	0.86	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-84.5	119.5	-178.1	0	0	0	0	0	108.7	H4	A2-H4 PolarHBondContact O-N 2.99Å
3	R	30.9	Very low	44.3	Very low	245 Å²	245	138.8 Å²	138.8	93%	0.925	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-65.4	128	178.2	-75.3	177	171.4	178.5	-3.7	109.5	G5	R3-G5 PolarHBondContact O-N 3.11Å
4	H	32.8	Very low	46.1	Very low	192 Å²	192	135.8 Å²	135.8	89%	0.889	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-54.8	119.5	165.3	-82.1	-81.8	0	0	0	109.7	A2	A2-H4 PolarHBondContact O-N 2.99Å
5	G	33.9	Very low	48	Very low	60 Å²	60	133.2 Å²	133.2	62%	0.619	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.2	156.6	164.7	0	0	0	0	0	110.6	R3	R3-G5 PolarHBondContact O-N 3.11Å
6	P	40.3	Very low	49.7	Very low	111 Å²	111	127.3 Å²	127.3	72%	0.721	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-62.5	154.8	-174.6	29	-34.6	0	0	0	111.2	W8	P6-W8 PolarHBondContact O-N 3.08Å
7	P	41.5	Very low	51.3	Low	127 Å²	127	129.5 Å²	129.5	83%	0.825	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-62.4	129.1	-179.8	26.8	-32	0	0	0	109.3	S9	P7-S9 PolarHBondContact O-N 3.32Å
8	W	41.5	Very low	52.8	Low	189 Å²	189	126.6 Å²	126.6	72%	0.716	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-56	125.4	178.8	-70	19.1	0	0	0	109.1	P6 E16	P6-W8 PolarHBondContact O-N 3.08Å; W8-E16 VanDerWaalsContact CZ3-OE2 3.26Å; W8-E16 WeakPolarHBondContact CZ3-OE2 3.31Å
9	S	56	Low	54.3	Low	52 Å²	52	120.5 Å²	120.5	36%	0.364	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-68.7	148.4	178	75.9	0	0	0	0	108.7	P7 L11 D12 A13	P7-S9 PolarHBondContact O-N 3.32Å; S9-L11 PolarHBondContact O-N 2.91Å; S9-D12 WeakPolarHBondContact CB-OD2 3.4Å; S9-D12 PolarHBondContact N-OD2 3.28Å; S9-D12 PolarHBondContact O-N 2.98Å; S9-D12 PolarHBondContact OG-N 3.29Å; S9-D12 PolarHBondContact OG-OD2 2.97Å; S9-A13 PolarHBondContact O-N 3.1Å
10	R	52.8	Low	55.5	Low	245 Å²	245	118.4 Å²	118.4	93%	0.925	60%	0.595	S	S	*	*	H	α-helix	trans	-53.3	-26.5	177.9	-118.2	179.9	179.9	-179.1	-1.2	112.9	Q14	R10-Q14 PolarHBondContact O-N 3.31Å
11	L	52.9	Low	56.6	Low	127 Å²	127	118.8 Å²	118.8	67%	0.665	59%	0.594	S	S	*	*	H	α-helix	trans	-70.7	-39	176.8	-78.8	153.4	0	0	0	112.4	S9 A13 Q14 Q15	S9-L11 PolarHBondContact O-N 2.91Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.26Å; L11-Q14 PolarHBondContact O-N 2.97Å; L11-Q15 WeakPolarHBondContact O-CG 3.41Å; L11-Q15 PolarHBondContact O-N 2.7Å
12	D	62.1	Low	58.6	Low	66 Å²	66	111.9 Å²	111.9	35%	0.353	56%	0.562	S	S	.	*	H	α-helix	trans	-67.4	-35.4	179.6	-61.1	-48.2	0	0	0	111.7	S9 E16	S9-D12 WeakPolarHBondContact CB-OD2 3.4Å; S9-D12 PolarHBondContact N-OD2 3.28Å; S9-D12 PolarHBondContact O-N 2.98Å; S9-D12 PolarHBondContact OG-N 3.29Å; S9-D12 PolarHBondContact OG-OD2 2.97Å; D12-E16 WeakPolarHBondContact O-CB 3.49Å; D12-E16 PolarHBondContact O-N 2.88Å
13	A	64.3	Low	60.9	Low	42 Å²	42	107.7 Å²	107.7	35%	0.347	53%	0.526	S	S	.	.	H	α-helix	trans	-69.8	-34.1	177.7	0	0	0	0	0	112.7	S9 L11 R17	S9-A13 PolarHBondContact O-N 3.1Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.26Å; A13-R17 WeakPolarHBondContact O-CG 3.4Å; A13-R17 PolarHBondContact O-N 3.43Å
14	Q	69.7	Low	63.3	Low	97 Å²	97	100.4 Å²	100.4	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-72.2	-45.9	174.8	-169.5	62.7	38.8	0	0	110.4	R10 L11 E16 R17 D18	R10-Q14 PolarHBondContact O-N 3.31Å; L11-Q14 PolarHBondContact O-N 2.97Å; Q14-E16 PolarHBondContact O-N 3.08Å; Q14-R17 WeakPolarHBondContact O-CB 3.34Å; Q14-R17 PolarHBondContact O-N 3.44Å; Q14-D18 PolarHBondContact NE2-OD1 3.45Å; Q14-D18 PolarHBondContact O-N 2.93Å
15	Q	73.6	Confident	65.2	Low	97 Å²	97	94.4 Å²	94.4	45%	0.453	49%	0.489	S	S	.	.	H	α-helix	trans	-57.1	-38.5	175	-74.4	178.4	-7.1	0	0	112.1	L11 D18 V19 W45	L11-Q15 WeakPolarHBondContact O-CG 3.41Å; L11-Q15 PolarHBondContact O-N 2.7Å; Q15-D18 PolarHBondContact O-N 3.31Å; Q15-V19 WeakPolarHBondContact O-CB 3.41Å; Q15-V19 WeakPolarHBondContact O-CG2 3.5Å; Q15-V19 PolarHBondContact O-N 2.87Å; Q15-W45 HydrophobicContact CB-CH2 4.48Å
16	E	75.7	Confident	67.1	Low	39 Å²	39	97.3 Å²	97.3	18%	0.182	49%	0.494	C	S	.	.	H	α-helix	trans	-65.4	-39.2	176.3	-168.5	176.9	-161.6	0	0	113.3	W8 D12 Q14 R20 W45	W8-E16 VanDerWaalsContact CZ3-OE2 3.26Å; W8-E16 WeakPolarHBondContact CZ3-OE2 3.31Å; D12-E16 WeakPolarHBondContact O-CB 3.49Å; D12-E16 PolarHBondContact O-N 2.88Å; Q14-E16 PolarHBondContact O-N 3.08Å; E16-R20 VanDerWaalsContact O-CG 3.3Å; E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.96Å; E16-R20 VanDerWaalsContact O-N 3.11Å; E16-R20 IonicContact OE1-CZ 3.87Å; E16-R20 IonicContact OE1-NE 2.86Å; E16-R20 IonicContact OE1-NH2 3.19Å; E16-R20 PolarHBondContact OE1-NH2 3.21Å; E16-R20 IonicContact OE2-NH2 3.52Å; E16-W45 HydrophobicContact CB-CZ2 3.83Å; E16-W45 HydrophobicContact CG-CZ2 4.02Å
17	R	76.8	Confident	68.6	Low	164 Å²	164	94.6 Å²	94.6	62%	0.619	48%	0.481	S	S	*	.	H	α-helix	trans	-65.1	-48.2	175	-72.8	179.3	-178.4	-169.5	-1.2	111.1	A13 Q14 V19 R20 E21	A13-R17 WeakPolarHBondContact O-CG 3.4Å; A13-R17 PolarHBondContact O-N 3.43Å; Q14-R17 WeakPolarHBondContact O-CB 3.34Å; Q14-R17 PolarHBondContact O-N 3.44Å; R17-V19 VanDerWaalsContact C-N 3.31Å; R17-V19 PolarHBondContact O-N 3.49Å; R17-R20 WeakPolarHBondContact O-CB 3.34Å; R17-R20 PolarHBondContact O-N 3.05Å; R17-R20 VanDerWaalsContact O-N 3.15Å; R17-E21 PolarHBondContact O-N 2.86Å
18	D	79.3	Confident	69.9	Low	77 Å²	77	91.3 Å²	91.3	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-38.8	-177.2	-57.6	-13.5	0	0	0	110.9	Q14 Q15 E21 L22	Q14-D18 PolarHBondContact NE2-OD1 3.45Å; Q14-D18 PolarHBondContact O-N 2.93Å; Q15-D18 PolarHBondContact O-N 3.31Å; D18-E21 PolarHBondContact O-N 3.09Å; D18-L22 WeakPolarHBondContact O-CB 3.3Å; D18-L22 PolarHBondContact O-N 3.17Å
19	V	80.9	Confident	71.5	Confident	12 Å²	12	84.8 Å²	84.8	7%	0.073	45%	0.449	C	S	.	.	H	α-helix	trans	-67.8	-37.5	176	172.6	0	0	0	0	111.8	Q15 R17 L22 V23 A44 F48	Q15-V19 WeakPolarHBondContact O-CB 3.41Å; Q15-V19 WeakPolarHBondContact O-CG2 3.5Å; Q15-V19 PolarHBondContact O-N 2.87Å; R17-V19 VanDerWaalsContact C-N 3.31Å; R17-V19 PolarHBondContact O-N 3.49Å; V19-L22 PolarHBondContact O-N 3.01Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.4Å; V19-V23 PolarHBondContact O-N 3.46Å; V19-A44 HydrophobicContact CG1-CB 3.94Å; V19-F48 HydrophobicContact CG1-CE2 4.22Å; V19-F48 HydrophobicContact CG2-CD2 4.15Å; V19-F48 HydrophobicContact CG2-CE2 3.46Å; V19-F48 VanDerWaalsContact CG2-CE2 3.46Å; V19-F48 HydrophobicContact CG2-CZ 4.16Å
20	R	78.9	Confident	71.8	Confident	78 Å²	78	90.1 Å²	90.1	29%	0.294	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-42.9	174.6	-76.5	174.9	-169.6	177.5	5.9	111.9	E16 R17 L22 V23 R24 F37 L41	E16-R20 VanDerWaalsContact O-CG 3.3Å; E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.96Å; E16-R20 VanDerWaalsContact O-N 3.11Å; E16-R20 IonicContact OE1-CZ 3.87Å; E16-R20 IonicContact OE1-NE 2.86Å; E16-R20 IonicContact OE1-NH2 3.19Å; E16-R20 PolarHBondContact OE1-NH2 3.21Å; E16-R20 IonicContact OE2-NH2 3.52Å; R17-R20 WeakPolarHBondContact O-CB 3.34Å; R17-R20 PolarHBondContact O-N 3.05Å; R17-R20 VanDerWaalsContact O-N 3.15Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-V23 PolarHBondContact O-N 3.07Å; R20-R24 WeakPolarHBondContact O-CB 3.44Å; R20-R24 PolarHBondContact O-N 3.38Å; R20-F37 HydrophobicContact CB-CZ 4.39Å; R20-F37 HydrophobicContact CG-CZ 4.43Å; R20-L41 HydrophobicContact CG-CD1 3.39Å
21	E	77.3	Confident	72.6	Confident	126 Å²	126	83.7 Å²	83.7	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-63.9	-40.8	174.7	-75.3	-173.3	176.3	0	0	111.6	R17 D18 R24 G25	R17-E21 PolarHBondContact O-N 2.86Å; D18-E21 PolarHBondContact O-N 3.09Å; E21-R24 PolarHBondContact O-N 3.03Å; E21-G25 PolarHBondContact O-N 3.11Å
22	L	79.3	Confident	73	Confident	100 Å²	100	81.9 Å²	81.9	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.4	-175.7	70.7	0	0	0	111.7	D18 V19 R20 R24 G25 V26	D18-L22 WeakPolarHBondContact O-CB 3.3Å; D18-L22 PolarHBondContact O-N 3.17Å; V19-L22 PolarHBondContact O-N 3.01Å; R20-L22 VanDerWaalsContact C-N 3.34Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.48Å; L22-G25 PolarHBondContact O-N 3.43Å; L22-V26 HydrophobicContact CD1-CG2 3.98Å; L22-V26 HydrophobicContact CG-CG2 4.3Å; L22-V26 WeakPolarHBondContact O-CB 3.32Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.44Å
23	V	79.6	Confident	73.1	Confident	15 Å²	15	82.5 Å²	82.5	9%	0.091	46%	0.455	C	S	.	.	H	α-helix	trans	-62.2	-41.5	177.2	173.1	0	0	0	0	110.5	V19 R20 A27 F37 A40	V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.4Å; V19-V23 PolarHBondContact O-N 3.46Å; R20-V23 PolarHBondContact O-N 3.07Å; V23-A27 WeakPolarHBondContact O-CB 3.37Å; V23-A27 PolarHBondContact O-N 2.99Å; V23-F37 HydrophobicContact CB-CE2 4.1Å; V23-F37 HydrophobicContact CG1-CD2 3.79Å; V23-F37 HydrophobicContact CG1-CE2 3.61Å; V23-F37 HydrophobicContact CG1-CZ 4.32Å; V23-A40 HydrophobicContact CG1-CB 3.85Å
24	R	79.9	Confident	73.8	Confident	92 Å²	92	82.9 Å²	82.9	35%	0.347	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176	-171.4	-177.2	-63	154.6	2	111.7	R20 E21 L22 G28 E32	R20-R24 WeakPolarHBondContact O-CB 3.44Å; R20-R24 PolarHBondContact O-N 3.38Å; E21-R24 PolarHBondContact O-N 3.03Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.48Å; R24-G28 WeakPolarHBondContact O-CA 3.31Å; R24-G28 PolarHBondContact O-N 3.19Å; R24-E32 IonicContact NH2-OE1 3.83Å; R24-E32 PolarHBondContact NH2-OE1 3.09Å
25	G	72.3	Confident	74.2	Confident	67 Å²	67	82.6 Å²	82.6	69%	0.691	46%	0.457	S	S	*	.	H	α-helix	trans	-69.6	-41.2	-179	0	0	0	0	0	113.6	E21 L22	E21-G25 PolarHBondContact O-N 3.11Å; L22-G25 PolarHBondContact O-N 3.43Å
26	V	74.3	Confident	74.4	Confident	120 Å²	120	82.3 Å²	82.3	73%	0.727	46%	0.459	S	S	*	.	H	α-helix	trans	-83.3	-39.2	-176	177.5	0	0	0	0	112.3	L22	L22-V26 HydrophobicContact CD1-CG2 3.98Å; L22-V26 HydrophobicContact CG-CG2 4.3Å; L22-V26 WeakPolarHBondContact O-CB 3.32Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.44Å
27	A	71.2	Confident	74.7	Confident	55 Å²	55	80.8 Å²	80.8	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-92.7	-14.3	-177.2	0	0	0	0	0	113.7	V23 L29	V23-A27 WeakPolarHBondContact O-CB 3.37Å; V23-A27 PolarHBondContact O-N 2.99Å; A27-L29 HydrophobicContact CB-CD1 4.19Å; A27-L29 HydrophobicContact CB-CG 4.21Å; A27-L29 PolarHBondContact O-N 2.71Å
28	G	69.9	Low	74.8	Confident	58 Å²	58	78.3 Å²	78.3	60%	0.598	45%	0.447	S	S	*	.			trans	69.9	7	-177.5	0	0	0	0	0	114.8	R24	R24-G28 WeakPolarHBondContact O-CA 3.31Å; R24-G28 PolarHBondContact O-N 3.19Å
29	L	74.9	Confident	74.9	Confident	52 Å²	52	80 Å²	80	27%	0.272	46%	0.456	S	S	.	.			trans	-85.7	116.5	-180	-63.2	172	0	0	0	109.8	A27 N36 F37	A27-L29 HydrophobicContact CB-CD1 4.19Å; A27-L29 HydrophobicContact CB-CG 4.21Å; A27-L29 PolarHBondContact O-N 2.71Å; L29-N36 HydrophobicContact CD1-CB 4.17Å; L29-F37 HydrophobicContact CB-CD2 4.13Å
30	Q	62.5	Low	74.9	Confident	163 Å²	163	80.9 Å²	80.9	76%	0.762	46%	0.464	S	S	*	.			trans	-93.3	-21.8	-177.2	-64.9	-163.8	0.6	0	0	114.3
31	D	68.4	Low	75	Confident	110 Å²	110	78.2 Å²	78.2	59%	0.588	46%	0.456	S	S	*	.			trans	-94.4	112.1	-169.9	-146.3	-14.2	0	0	0	111.6	A33 D34	D31-A33 PolarHBondContact O-N 3.23Å; D31-D34 WeakPolarHBondContact O-CB 3.49Å; D31-D34 PolarHBondContact O-N 3.47Å; D31-D34 VanDerWaalsContact O-N 3.14Å
32	E	61.7	Low	75.2	Confident	90 Å²	90	76.9 Å²	76.9	42%	0.421	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.3	-177	-63.6	-170.5	170.1	0	0	113.1	R24 F37	R24-E32 IonicContact NH2-OE1 3.83Å; R24-E32 PolarHBondContact NH2-OE1 3.09Å; E32-F37 HydrophobicContact CB-CD1 4.49Å; E32-F37 HydrophobicContact CB-CE1 4.42Å; E32-F37 HydrophobicContact CG-CE1 4.11Å; E32-F37 HydrophobicContact CG-CZ 4.49Å
33	A	65.1	Low	75.3	Confident	79 Å²	79	78.7 Å²	78.7	65%	0.653	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.3	176	0	0	0	0	0	113.4	D31	D31-A33 PolarHBondContact O-N 3.23Å
34	D	79	Confident	75.4	Confident	50 Å²	50	78.8 Å²	78.8	27%	0.267	46%	0.459	S	S	.	.			trans	-70.8	127.2	-178	-164.4	-31.1	0	0	0	110.3	D31 N36 F37 Q38	D31-D34 WeakPolarHBondContact O-CB 3.49Å; D31-D34 PolarHBondContact O-N 3.47Å; D31-D34 VanDerWaalsContact O-N 3.14Å; D34-N36 PolarHBondContact O-N 3.08Å; D34-N36 VanDerWaalsContact O-N 3.11Å; D34-N36 PolarHBondContact OD1-N 3.09Å; D34-N36 PolarHBondContact OD1-ND2 3.29Å; D34-F37 HydrophobicContact CB-CB 4.28Å; D34-F37 WeakPolarHBondContact O-CB 3.22Å; D34-F37 PolarHBondContact O-N 3.46Å; D34-Q38 PolarHBondContact O-N 3.36Å
35	P	77.4	Confident	75.4	Confident	90 Å²	90	76.6 Å²	76.6	58%	0.584	45%	0.451	S	S	*	.	H	α-helix	trans	-54.4	-29.8	175.8	21.6	-34.9	0	0	0	113	Q38 L39	P35-Q38 PolarHBondContact O-N 3.03Å; P35-L39 WeakPolarHBondContact O-CG 3.45Å; P35-L39 PolarHBondContact O-N 2.84Å
36	N	77.7	Confident	75.7	Confident	92 Å²	92	75.9 Å²	75.9	49%	0.492	44%	0.435	S	S	.	.	H	α-helix	trans	-70.8	-36.3	178.1	-64.6	-40.9	0	0	0	112.4	L29 D34 L39 A40	L29-N36 HydrophobicContact CD1-CB 4.17Å; D34-N36 PolarHBondContact O-N 3.08Å; D34-N36 VanDerWaalsContact O-N 3.11Å; D34-N36 PolarHBondContact OD1-N 3.09Å; D34-N36 PolarHBondContact OD1-ND2 3.29Å; N36-L39 PolarHBondContact O-N 3.2Å; N36-A40 WeakPolarHBondContact O-CB 3.23Å; N36-A40 PolarHBondContact O-N 2.99Å
37	F	83.3	Confident	75.8	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.026	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-42.1	174.7	-174	-94.5	0	0	0	110.7	R20 V23 L29 E32 D34 L39 A40 L41	R20-F37 HydrophobicContact CB-CZ 4.39Å; R20-F37 HydrophobicContact CG-CZ 4.43Å; V23-F37 HydrophobicContact CB-CE2 4.1Å; V23-F37 HydrophobicContact CG1-CD2 3.79Å; V23-F37 HydrophobicContact CG1-CE2 3.61Å; V23-F37 HydrophobicContact CG1-CZ 4.32Å; L29-F37 HydrophobicContact CB-CD2 4.13Å; E32-F37 HydrophobicContact CB-CD1 4.49Å; E32-F37 HydrophobicContact CB-CE1 4.42Å; E32-F37 HydrophobicContact CG-CE1 4.11Å; E32-F37 HydrophobicContact CG-CZ 4.49Å; D34-F37 HydrophobicContact CB-CB 4.28Å; D34-F37 WeakPolarHBondContact O-CB 3.22Å; D34-F37 PolarHBondContact O-N 3.46Å; F37-L39 PolarHBondContact O-N 3.31Å; F37-A40 PolarHBondContact O-N 2.96Å; F37-L41 HydrophobicContact CE1-CD1 4.07Å; F37-L41 VanDerWaalsContact O-CB 3.3Å; F37-L41 WeakPolarHBondContact O-CB 3.38Å; F37-L41 PolarHBondContact O-N 2.81Å
38	Q	78.5	Confident	76	Confident	112 Å²	112	75 Å²	75	52%	0.523	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-37	175.9	-65	-151.7	-4.3	0	0	112.8	D34 P35 N42	D34-Q38 PolarHBondContact O-N 3.36Å; P35-Q38 PolarHBondContact O-N 3.03Å; Q38-N42 VanDerWaalsContact O-CB 3.29Å; Q38-N42 WeakPolarHBondContact O-CB 3.09Å; Q38-N42 PolarHBondContact O-N 3.24Å; Q38-N42 PolarHBondContact O-ND2 3.49Å; Q38-N42 VanDerWaalsContact O-ND2 3.12Å
39	L	80.8	Confident	76	Confident	113 Å²	113	81 Å²	81	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-64.7	-44.7	174.1	-76.8	168.3	0	0	0	112	P35 N36 F37 N42 F43	P35-L39 WeakPolarHBondContact O-CG 3.45Å; P35-L39 PolarHBondContact O-N 2.84Å; N36-L39 PolarHBondContact O-N 3.2Å; F37-L39 PolarHBondContact O-N 3.31Å; L39-N42 PolarHBondContact O-N 3.04Å; L39-F43 WeakPolarHBondContact O-CB 3.44Å; L39-F43 PolarHBondContact O-N 3.45Å
40	A	80.6	Confident	75.8	Confident	30 Å²	30	86 Å²	86	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-64	-41.3	177.2	0	0	0	0	0	112	V23 N36 F37 F43 A44	V23-A40 HydrophobicContact CG1-CB 3.85Å; N36-A40 WeakPolarHBondContact O-CB 3.23Å; N36-A40 PolarHBondContact O-N 2.99Å; F37-A40 PolarHBondContact O-N 2.96Å; A40-F43 WeakPolarHBondContact O-CB 3.23Å; A40-F43 PolarHBondContact O-N 2.95Å; A40-A44 PolarHBondContact O-N 3.28Å
41	L	81.7	Confident	75.9	Confident	23 Å²	23	83.3 Å²	83.3	12%	0.12	43%	0.425	C	S	.	.	H	α-helix	trans	-64.9	-43.9	175.9	-172.2	138.6	0	0	0	111.5	R20 F37 F43 A44 W45	R20-L41 HydrophobicContact CG-CD1 3.39Å; F37-L41 HydrophobicContact CE1-CD1 4.07Å; F37-L41 VanDerWaalsContact O-CB 3.3Å; F37-L41 WeakPolarHBondContact O-CB 3.38Å; F37-L41 PolarHBondContact O-N 2.81Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 3.29Å; L41-A44 PolarHBondContact O-N 3.05Å; L41-W45 VanDerWaalsContact CD2-CD1 3.48Å; L41-W45 WeakPolarHBondContact O-CB 3.2Å; L41-W45 VanDerWaalsContact O-CD1 3.24Å; L41-W45 PolarHBondContact O-N 3Å
42	N	80.9	Confident	75.6	Confident	98 Å²	98	90 Å²	90	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-63.1	-37.5	174.8	-74.4	-27.2	0	0	0	112.1	Q38 L39 S46	Q38-N42 VanDerWaalsContact O-CB 3.29Å; Q38-N42 WeakPolarHBondContact O-CB 3.09Å; Q38-N42 PolarHBondContact O-N 3.24Å; Q38-N42 PolarHBondContact O-ND2 3.49Å; Q38-N42 VanDerWaalsContact O-ND2 3.12Å; L39-N42 PolarHBondContact O-N 3.04Å; N42-S46 VanDerWaalsContact O-CB 3.28Å; N42-S46 WeakPolarHBondContact O-CB 3.18Å; N42-S46 PolarHBondContact O-N 2.79Å
43	F	82.6	Confident	75.6	Confident	137 Å²	137	93.4 Å²	93.4	60%	0.601	46%	0.456	S	S	*	.	H	α-helix	trans	-63.6	-48	174.2	177.8	-101.6	0	0	0	111.8	L39 A40 L41 W45 S46 N47	L39-F43 WeakPolarHBondContact O-CB 3.44Å; L39-F43 PolarHBondContact O-N 3.45Å; A40-F43 WeakPolarHBondContact O-CB 3.23Å; A40-F43 PolarHBondContact O-N 2.95Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 PolarHBondContact O-N 3.29Å; F43-W45 PolarHBondContact O-N 3.26Å; F43-S46 WeakPolarHBondContact O-CB 3.14Å; F43-S46 PolarHBondContact O-N 2.91Å; F43-N47 WeakPolarHBondContact CE1-ND2 3.45Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.34Å; F43-N47 PolarHBondContact O-N 3.09Å; F43-N47 PolarHBondContact O-ND2 3.24Å
44	A	79.9	Confident	75.6	Confident	18 Å²	18	97.6 Å²	97.6	15%	0.149	47%	0.466	C	S	.	.	H	α-helix	trans	-59.4	-46.9	176.7	0	0	0	0	0	111.6	V19 A40 L41 S46 N47 F48	V19-A44 HydrophobicContact CG1-CB 3.94Å; A40-A44 PolarHBondContact O-N 3.28Å; L41-A44 PolarHBondContact O-N 3.05Å; A44-S46 PolarHBondContact O-N 3.24Å; A44-N47 PolarHBondContact O-N 3.05Å; A44-F48 HydrophobicContact CB-CE2 4.33Å; A44-F48 WeakPolarHBondContact O-CD2 3.23Å; A44-F48 PolarHBondContact O-N 3.01Å
45	W	79.7	Confident	74.8	Confident	45 Å²	45	102.9 Å²	102.9	17%	0.17	49%	0.494	C	S	.	.	H	α-helix	trans	-64.9	-36.6	177.2	-85.8	110.5	0	0	0	113.7	Q15 E16 L41 F43 N47 F48 R49	Q15-W45 HydrophobicContact CB-CH2 4.48Å; E16-W45 HydrophobicContact CB-CZ2 3.83Å; E16-W45 HydrophobicContact CG-CZ2 4.02Å; L41-W45 VanDerWaalsContact CD2-CD1 3.48Å; L41-W45 WeakPolarHBondContact O-CB 3.2Å; L41-W45 VanDerWaalsContact O-CD1 3.24Å; L41-W45 PolarHBondContact O-N 3Å; F43-W45 PolarHBondContact O-N 3.26Å; W45-N47 VanDerWaalsContact C-N 3.32Å; W45-F48 PolarHBondContact O-N 3.49Å; W45-R49 WeakPolarHBondContact O-CB 3.34Å; W45-R49 WeakPolarHBondContact O-CG 3.49Å; W45-R49 PolarHBondContact O-N 3.26Å
46	S	78.7	Confident	74.2	Confident	53 Å²	53	100.7 Å²	100.7	37%	0.371	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-44.3	172.9	-176.5	0	0	0	0	110.6	N42 F43 A44 R49 F50	N42-S46 VanDerWaalsContact O-CB 3.28Å; N42-S46 WeakPolarHBondContact O-CB 3.18Å; N42-S46 PolarHBondContact O-N 2.79Å; F43-S46 WeakPolarHBondContact O-CB 3.14Å; F43-S46 PolarHBondContact O-N 2.91Å; A44-S46 PolarHBondContact O-N 3.24Å; S46-R49 PolarHBondContact O-N 3.27Å; S46-F50 WeakPolarHBondContact O-CB 3.36Å; S46-F50 WeakPolarHBondContact O-CD2 3.15Å; S46-F50 PolarHBondContact O-N 3.3Å
47	N	77.9	Confident	74	Confident	35 Å²	35	100.8 Å²	100.8	19%	0.187	48%	0.48	C	S	.	.	H	α-helix	trans	-64.3	-44.3	177.6	-70.2	-29.7	0	0	0	112.1	F43 A44 W45 R49 H51	F43-N47 WeakPolarHBondContact CE1-ND2 3.45Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.34Å; F43-N47 PolarHBondContact O-N 3.09Å; F43-N47 PolarHBondContact O-ND2 3.24Å; A44-N47 PolarHBondContact O-N 3.05Å; W45-N47 VanDerWaalsContact C-N 3.32Å; N47-R49 VanDerWaalsContact C-N 3.34Å; N47-R49 PolarHBondContact O-N 3.09Å; N47-H51 WeakPolarHBondContact O-CA 3.2Å; N47-H51 VanDerWaalsContact O-CB 3.28Å; N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 3.37Å; N47-H51 PolarHBondContact OD1-CD2 2.68Å
48	F	74.7	Confident	73.6	Confident	122 Å²	122	101.9 Å²	101.9	54%	0.535	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-35.9	177.3	-68.2	-54.4	0	0	0	113.6	V19 A44 W45	V19-F48 HydrophobicContact CG1-CE2 4.22Å; V19-F48 HydrophobicContact CG2-CD2 4.15Å; V19-F48 HydrophobicContact CG2-CE2 3.46Å; V19-F48 VanDerWaalsContact CG2-CE2 3.46Å; V19-F48 HydrophobicContact CG2-CZ 4.16Å; A44-F48 HydrophobicContact CB-CE2 4.33Å; A44-F48 WeakPolarHBondContact O-CD2 3.23Å; A44-F48 PolarHBondContact O-N 3.01Å; W45-F48 PolarHBondContact O-N 3.49Å
49	R	70.6	Confident	73.6	Confident	184 Å²	184	102.5 Å²	102.5	69%	0.694	49%	0.491	S	S	*	.	H	α-helix	trans	-78.4	-35.4	-178.5	-74.4	-177	179.2	-179	2.9	113.3	W45 S46 N47	W45-R49 WeakPolarHBondContact O-CB 3.34Å; W45-R49 WeakPolarHBondContact O-CG 3.49Å; W45-R49 PolarHBondContact O-N 3.26Å; S46-R49 PolarHBondContact O-N 3.27Å; N47-R49 VanDerWaalsContact C-N 3.34Å; N47-R49 PolarHBondContact O-N 3.09Å
50	F	69.9	Low	73.5	Confident	157 Å²	157	104.3 Å²	104.3	69%	0.689	49%	0.494	S	S	*	.	H	α-helix	trans	-114.3	-16	-167.7	-57.2	-64.6	0	0	0	114.3	S46	S46-F50 WeakPolarHBondContact O-CB 3.36Å; S46-F50 WeakPolarHBondContact O-CD2 3.15Å; S46-F50 PolarHBondContact O-N 3.3Å
51	H	65.8	Low	73.6	Confident	106 Å²	106	103.3 Å²	103.3	49%	0.491	48%	0.484	S	S	.	.			trans	-101.9	127.5	173.7	-69.4	-47.6	0	0	0	112.1	N47 F53	N47-H51 WeakPolarHBondContact O-CA 3.2Å; N47-H51 VanDerWaalsContact O-CB 3.28Å; N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 3.37Å; N47-H51 PolarHBondContact OD1-CD2 2.68Å; H51-F53 HydrophobicContact CB-CD2 4.4Å; H51-F53 HydrophobicContact CB-CE2 3.88Å; H51-F53 HydrophobicContact CB-CZ 4Å
52	R	60.4	Low	73.5	Confident	249 Å²	249	105.6 Å²	105.6	94%	0.94	50%	0.495	S	S	*	.			trans	-99.9	96.2	163.9	-77.7	-179	171.4	177.4	-3.8	107.9
53	F	62.4	Low	73.7	Confident	162 Å²	162	108.4 Å²	108.4	71%	0.711	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-68.4	136.5	165.8	-61	-74.2	0	0	0	108.4	H51	H51-F53 HydrophobicContact CB-CD2 4.4Å; H51-F53 HydrophobicContact CB-CE2 3.88Å; H51-F53 HydrophobicContact CB-CZ 4Å
54	L	64.4	Low	73.7	Confident	167 Å²	167	104.9 Å²	104.9	87%	0.874	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-73.5	143.8	175.1	-72	163	0	0	0	109.1
55	D	62.5	Low	73.9	Confident	161 Å²	161	105 Å²	105	86%	0.861	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-59.7	151.1	176.4	-71	-35.7	0	0	0	111.6	N57	D55-N57 PolarHBondContact O-N 2.89Å
56	V	65.3	Low	74.2	Confident	44 Å²	44	108.4 Å²	108.4	27%	0.267	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-71.9	124.9	-169.2	176.2	0	0	0	0	110.8	S58 I61	V56-S58 PolarHBondContact O-N 2.95Å; V56-I61 HydrophobicContact CG1-CD1 3.11Å; V56-I61 HydrophobicContact CG1-CG1 4.38Å
57	N	73.6	Confident	74.5	Confident	94 Å²	94	107 Å²	107	50%	0.503	50%	0.502	S	S	.	.			trans	-82.5	110.7	-179.7	-174.2	-38.7	0	0	0	111.3	D55 H59 K60 I61	D55-N57 PolarHBondContact O-N 2.89Å; N57-H59 PolarHBondContact O-N 3.42Å; N57-H59 PolarHBondContact OD1-N 2.85Å; N57-H59 VanDerWaalsContact OD1-N 3.1Å; N57-K60 HydrophobicContact CB-CB 4.03Å; N57-K60 PolarHBondContact O-N 2.89Å; N57-K60 PolarHBondContact OD1-N 3.3Å; N57-I61 PolarHBondContact O-N 3.38Å
58	S	75.4	Confident	74.7	Confident	30 Å²	30	106.4 Å²	106.4	21%	0.21	50%	0.498	C	S	.	.	H	α-helix	trans	-55.5	-46.4	-179.4	54.3	0	0	0	0	113.3	V56 K60 I61 E62	V56-S58 PolarHBondContact O-N 2.95Å; S58-K60 VanDerWaalsContact C-N 3.31Å; S58-K60 PolarHBondContact O-N 2.83Å; S58-I61 PolarHBondContact O-N 3.46Å; S58-E62 PolarHBondContact O-N 3.36Å
59	H	77.9	Confident	75.1	Confident	125 Å²	125	104.3 Å²	104.3	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-30.8	180	-65.5	-55.2	0	0	0	113.5	N57 I61 E62 K63	N57-H59 PolarHBondContact O-N 3.42Å; N57-H59 PolarHBondContact OD1-N 2.85Å; N57-H59 VanDerWaalsContact OD1-N 3.1Å; H59-I61 VanDerWaalsContact C-N 3.32Å; H59-E62 IonicContact ND1-OE2 3.59Å; H59-K63 WeakPolarHBondContact O-CG 3.49Å; H59-K63 PolarHBondContact O-N 2.82Å; H59-K63 VanDerWaalsContact O-N 3.14Å
60	K	79.2	Confident	75.9	Confident	150 Å²	150	100.9 Å²	100.9	65%	0.652	48%	0.479	S	S	*	.	H	α-helix	trans	-67.8	-38.3	176.5	-170.6	178.8	177.8	-174.4	0	110.5	N57 S58 T64	N57-K60 HydrophobicContact CB-CB 4.03Å; N57-K60 PolarHBondContact O-N 2.89Å; N57-K60 PolarHBondContact OD1-N 3.3Å; S58-K60 VanDerWaalsContact C-N 3.31Å; S58-K60 PolarHBondContact O-N 2.83Å; K60-T64 WeakPolarHBondContact O-CG2 3.47Å; K60-T64 PolarHBondContact O-N 3.34Å; K60-T64 VanDerWaalsContact O-N 3.13Å; K60-T64 PolarHBondContact O-OG1 2.95Å
61	I	80.9	Confident	76.5	Confident	9 Å²	9	99 Å²	99	5%	0.046	47%	0.471	C	S	.	.	H	α-helix	trans	-72.4	-43.6	179.5	-68.9	161.4	0	0	0	111.3	V56 N57 S58 H59 K63 T64 I65 Y108 L111 L115	V56-I61 HydrophobicContact CG1-CD1 3.11Å; V56-I61 HydrophobicContact CG1-CG1 4.38Å; N57-I61 PolarHBondContact O-N 3.38Å; S58-I61 PolarHBondContact O-N 3.46Å; H59-I61 VanDerWaalsContact C-N 3.32Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 2.84Å; I61-T64 VanDerWaalsContact CA-OG1 3.29Å; I61-T64 WeakPolarHBondContact CA-OG1 3.15Å; I61-T64 PolarHBondContact O-N 2.82Å; I61-T64 PolarHBondContact O-OG1 2.81Å; I61-I65 HydrophobicContact CG2-CD1 3.73Å; I61-I65 HydrophobicContact CG2-CG1 4.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.46Å; I61-I65 PolarHBondContact O-N 3.48Å; I61-Y108 HydrophobicContact CB-CD1 4.46Å; I61-Y108 VanDerWaalsContact CD1-O 3.24Å; I61-Y108 WeakPolarHBondContact CD1-O 3.42Å; I61-Y108 HydrophobicContact CG2-CD1 4.37Å; I61-L111 HydrophobicContact CG2-CB 4.2Å; I61-L115 HydrophobicContact CG2-CD1 4.04Å
62	E	81.5	Confident	77.3	Confident	72 Å²	72	94.6 Å²	94.6	34%	0.336	45%	0.45	S	S	.	.	H	α-helix	trans	-56.7	-44.5	174.6	-73.3	177.1	168.7	0	0	111.2	S58 H59 T64 I65 E66 Y108	S58-E62 PolarHBondContact O-N 3.36Å; H59-E62 IonicContact ND1-OE2 3.59Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 2.76Å; E62-I65 PolarHBondContact O-N 3.31Å; E62-E66 WeakPolarHBondContact O-CB 3.3Å; E62-E66 PolarHBondContact O-N 2.97Å; E62-Y108 HydrophobicContact CG-CE1 3.9Å; E62-Y108 PolarHBondContact OE1-OH 3.48Å
63	K	84.4	Confident	78.3	Confident	157 Å²	157	85.4 Å²	85.4	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-61.2	-37.8	174.2	-76	-180	-179.1	-177.3	0	113.3	H59 I61 G67	H59-K63 WeakPolarHBondContact O-CG 3.49Å; H59-K63 PolarHBondContact O-N 2.82Å; H59-K63 VanDerWaalsContact O-N 3.14Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 2.84Å; K63-G67 PolarHBondContact O-N 3.44Å
64	T	81.8	Confident	79.4	Confident	62 Å²	62	83.7 Å²	83.7	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-71.2	-36.9	176.6	51.1	0	0	0	0	112.4	K60 I61 E62 G67 I68	K60-T64 WeakPolarHBondContact O-CG2 3.47Å; K60-T64 PolarHBondContact O-N 3.34Å; K60-T64 VanDerWaalsContact O-N 3.13Å; K60-T64 PolarHBondContact O-OG1 2.95Å; I61-T64 VanDerWaalsContact CA-OG1 3.29Å; I61-T64 WeakPolarHBondContact CA-OG1 3.15Å; I61-T64 PolarHBondContact O-N 2.82Å; I61-T64 PolarHBondContact O-OG1 2.81Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 2.76Å; T64-G67 PolarHBondContact O-N 3.42Å; T64-I68 WeakPolarHBondContact O-CD1 3.36Å; T64-I68 VanDerWaalsContact O-CG1 3.26Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.18Å
65	I	85	Confident	80.1	Confident	21 Å²	21	81.8 Å²	81.8	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176	-70	171.2	0	0	0	110	I61 E62 I68 Y69 W84 T88 L111	I61-I65 HydrophobicContact CG2-CD1 3.73Å; I61-I65 HydrophobicContact CG2-CG1 4.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.46Å; I61-I65 PolarHBondContact O-N 3.48Å; E62-I65 PolarHBondContact O-N 3.31Å; I65-I68 PolarHBondContact O-N 3.44Å; I65-Y69 PolarHBondContact O-N 3.13Å; I65-W84 PolarHBondContact O-NE1 3.12Å; I65-T88 HydrophobicContact CD1-CG2 4.43Å; I65-T88 HydrophobicContact CG2-CG2 4.2Å; I65-L111 HydrophobicContact CD1-CD1 4.22Å
66	E	84.8	Confident	80.6	Confident	116 Å²	116	78.9 Å²	78.9	54%	0.542	40%	0.397	S	S	.	.	H	α-helix	trans	-65.4	-41.4	177.5	-167.1	165.2	-148	0	0	111.4	E62 I68 Y69 E70	E62-E66 WeakPolarHBondContact O-CB 3.3Å; E62-E66 PolarHBondContact O-N 2.97Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.34Å; E66-Y69 WeakPolarHBondContact O-CB 3.48Å; E66-Y69 PolarHBondContact O-N 2.91Å; E66-E70 WeakPolarHBondContact O-CG 3.23Å; E66-E70 PolarHBondContact O-N 3.23Å
67	G	85.2	Confident	81.1	Confident	25 Å²	25	79.5 Å²	79.5	26%	0.258	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-31.2	174.4	0	0	0	0	0	114	K63 T64 K71	K63-G67 PolarHBondContact O-N 3.44Å; T64-G67 PolarHBondContact O-N 3.42Å; G67-K71 VanDerWaalsContact O-CG 3.3Å; G67-K71 WeakPolarHBondContact O-CG 3.43Å; G67-K71 PolarHBondContact O-N 2.85Å
68	I	83.3	Confident	81.4	Confident	21 Å²	21	80.6 Å²	80.6	11%	0.108	40%	0.404	C	S	.	.	H	α-helix	trans	-71.8	-42.5	172.6	-70.7	164.3	0	0	0	110.3	T64 I65 E66 E70 K71 F72 W84 L115 P121	T64-I68 WeakPolarHBondContact O-CD1 3.36Å; T64-I68 VanDerWaalsContact O-CG1 3.26Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.18Å; I65-I68 PolarHBondContact O-N 3.44Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.34Å; I68-E70 PolarHBondContact O-N 3.47Å; I68-K71 PolarHBondContact O-N 2.86Å; I68-F72 HydrophobicContact CG2-CD2 3.83Å; I68-F72 HydrophobicContact CG2-CE2 3.32Å; I68-F72 HydrophobicContact CG2-CZ 3.99Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.22Å; I68-F72 PolarHBondContact O-N 3.1Å; I68-W84 HydrophobicContact CD1-CZ2 4.1Å; I68-W84 HydrophobicContact CG2-CD2 4.46Å; I68-W84 HydrophobicContact CG2-CZ2 4.12Å; I68-L115 HydrophobicContact CD1-CD2 3.85Å; I68-P121 HydrophobicContact CD1-CB 4.41Å; I68-P121 HydrophobicContact CD1-CG 3.74Å; I68-P121 HydrophobicContact CG1-CG 4.19Å
69	Y	83.7	Confident	81.5	Confident	78 Å²	78	83.4 Å²	83.4	31%	0.306	42%	0.424	S	S	.	.	H	α-helix	trans	-57.2	-48.1	174.5	172.9	-92.3	0	0	0	111.7	I65 E66 K71 F72 V73 A81 K85	I65-Y69 PolarHBondContact O-N 3.13Å; E66-Y69 WeakPolarHBondContact O-CB 3.48Å; E66-Y69 PolarHBondContact O-N 2.91Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 3.01Å; Y69-F72 PolarHBondContact O-N 3.03Å; Y69-V73 HydrophobicContact CD1-CG2 4.4Å; Y69-V73 HydrophobicContact CE1-CG2 3.97Å; Y69-V73 WeakPolarHBondContact O-CG2 3.42Å; Y69-V73 PolarHBondContact O-N 3.5Å; Y69-V73 VanDerWaalsContact O-N 3.09Å; Y69-A81 HydrophobicContact CD2-CB 3.87Å; Y69-A81 WeakPolarHBondContact CD2-O 3.43Å; Y69-A81 HydrophobicContact CE2-CB 3.74Å; Y69-A81 VanDerWaalsContact CE2-O 3.27Å; Y69-A81 WeakPolarHBondContact CE2-O 3.4Å; Y69-K85 HydrophobicContact CD2-CB 3.98Å; Y69-K85 HydrophobicContact CD2-CD 4.39Å; Y69-K85 HydrophobicContact CE2-CB 4.07Å; Y69-K85 HydrophobicContact CE2-CD 4.1Å
70	E	85.4	Confident	81.4	Confident	113 Å²	113	79.3 Å²	79.3	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-59.5	-41.6	176.8	-73.4	-178.7	169.6	0	0	112.1	E66 I68 F72 V73 I74	E66-E70 WeakPolarHBondContact O-CG 3.23Å; E66-E70 PolarHBondContact O-N 3.23Å; I68-E70 PolarHBondContact O-N 3.47Å; E70-F72 PolarHBondContact O-N 3.36Å; E70-V73 PolarHBondContact O-N 3.4Å; E70-I74 VanDerWaalsContact O-CG1 3.29Å; E70-I74 WeakPolarHBondContact O-CG1 3.49Å; E70-I74 PolarHBondContact O-N 3.07Å
71	K	82.7	Confident	81.5	Confident	118 Å²	118	72.2 Å²	72.2	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-41.8	176.2	-75.9	174.9	-178	-177.3	0	112.3	G67 I68 Y69 V73 I74 H75	G67-K71 VanDerWaalsContact O-CG 3.3Å; G67-K71 WeakPolarHBondContact O-CG 3.43Å; G67-K71 PolarHBondContact O-N 2.85Å; I68-K71 PolarHBondContact O-N 2.86Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 3.01Å; K71-V73 VanDerWaalsContact C-N 3.32Å; K71-V73 PolarHBondContact O-N 2.92Å; K71-I74 PolarHBondContact O-N 2.99Å; K71-H75 PolarHBondContact O-CD2 3.35Å; K71-H75 PolarHBondContact O-N 3.31Å
72	F	82.8	Confident	81.5	Confident	12 Å²	12	74.5 Å²	74.5	5%	0.053	39%	0.394	C	S	.	.	H	α-helix	trans	-63.3	-38.6	175.6	-70.9	-50.9	0	0	0	112.5	I68 Y69 E70 H75 S76 D77 A81 W84 P121	I68-F72 HydrophobicContact CG2-CD2 3.83Å; I68-F72 HydrophobicContact CG2-CE2 3.32Å; I68-F72 HydrophobicContact CG2-CZ 3.99Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.22Å; I68-F72 PolarHBondContact O-N 3.1Å; Y69-F72 PolarHBondContact O-N 3.03Å; E70-F72 PolarHBondContact O-N 3.36Å; F72-H75 PolarHBondContact O-N 3.34Å; F72-S76 PolarHBondContact O-N 2.79Å; F72-D77 PolarHBondContact O-N 2.91Å; F72-A81 HydrophobicContact CB-CB 3.8Å; F72-W84 HydrophobicContact CE2-CB 4.43Å; F72-W84 HydrophobicContact CE2-CD2 4.35Å; F72-W84 HydrophobicContact CE2-CG 4.23Å; F72-P121 VanDerWaalsContact CZ-O 3.23Å; F72-P121 WeakPolarHBondContact CZ-O 3.45Å
73	V	82.6	Confident	81.5	Confident	57 Å²	57	71.6 Å²	71.6	35%	0.345	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174.6	175.4	0	0	0	0	111	Y69 E70 K71 H75 S76 L78 A81	Y69-V73 HydrophobicContact CD1-CG2 4.4Å; Y69-V73 HydrophobicContact CE1-CG2 3.97Å; Y69-V73 WeakPolarHBondContact O-CG2 3.42Å; Y69-V73 PolarHBondContact O-N 3.5Å; Y69-V73 VanDerWaalsContact O-N 3.09Å; E70-V73 PolarHBondContact O-N 3.4Å; K71-V73 VanDerWaalsContact C-N 3.32Å; K71-V73 PolarHBondContact O-N 2.92Å; V73-H75 VanDerWaalsContact C-N 3.32Å; V73-H75 PolarHBondContact O-N 3.48Å; V73-S76 PolarHBondContact O-N 3.29Å; V73-S76 VanDerWaalsContact O-N 3.1Å; V73-L78 HydrophobicContact CG1-CD2 4.28Å; V73-L78 HydrophobicContact CG2-CD2 4.5Å; V73-A81 HydrophobicContact CG2-CB 3.84Å
74	I	84.5	Confident	81.5	Confident	126 Å²	126	67.4 Å²	67.4	65%	0.646	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-38.2	177.7	-67.2	164.2	0	0	0	111.4	E70 K71 S76	E70-I74 VanDerWaalsContact O-CG1 3.29Å; E70-I74 WeakPolarHBondContact O-CG1 3.49Å; E70-I74 PolarHBondContact O-N 3.07Å; K71-I74 PolarHBondContact O-N 2.99Å; I74-S76 PolarHBondContact O-N 3.07Å
75	H	79.7	Confident	81.6	Confident	127 Å²	127	68.9 Å²	68.9	59%	0.588	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	6.2	176.1	-73.3	-66.3	0	0	0	114.1	K71 F72 V73 D77	K71-H75 PolarHBondContact O-CD2 3.35Å; K71-H75 PolarHBondContact O-N 3.31Å; F72-H75 PolarHBondContact O-N 3.34Å; V73-H75 VanDerWaalsContact C-N 3.32Å; V73-H75 PolarHBondContact O-N 3.48Å; H75-D77 PolarHBondContact O-N 3.38Å
76	S	73	Confident	81.6	Confident	99 Å²	99	73.7 Å²	73.7	69%	0.692	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	16.3	179.6	-55.8	0	0	0	0	115.6	F72 V73 I74 L78	F72-S76 PolarHBondContact O-N 2.79Å; V73-S76 PolarHBondContact O-N 3.29Å; V73-S76 VanDerWaalsContact O-N 3.1Å; I74-S76 PolarHBondContact O-N 3.07Å; S76-L78 PolarHBondContact O-N 2.94Å
77	D	76.3	Confident	81.5	Confident	57 Å²	57	70.3 Å²	70.3	31%	0.305	37%	0.365	S	S	.	.			trans	-89.9	65.1	176.6	-84.3	-4.8	0	0	0	111	F72 H75 S79 K80 A81	F72-D77 PolarHBondContact O-N 2.91Å; H75-D77 PolarHBondContact O-N 3.38Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.1Å; D77-K80 HydrophobicContact CB-CB 4.31Å; D77-K80 HydrophobicContact CB-CD 4.18Å; D77-K80 HydrophobicContact CB-CG 4.43Å; D77-K80 PolarHBondContact O-N 3.37Å; D77-K80 WeakPolarHBondContact OD2-CE 3.28Å; D77-K80 IonicContact OD2-NZ 3.49Å; D77-K80 PolarHBondContact OD2-NZ 2.97Å; D77-A81 PolarHBondContact O-N 3.48Å; D77-A81 VanDerWaalsContact O-N 3.08Å
78	L	79.8	Confident	81.3	Confident	117 Å²	117	69.8 Å²	69.8	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-32.5	-171.8	-63.8	177.3	0	0	0	114.1	V73 S76 A82	V73-L78 HydrophobicContact CG1-CD2 4.28Å; V73-L78 HydrophobicContact CG2-CD2 4.5Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.12Å
79	S	76.4	Confident	81.3	Confident	89 Å²	89	73.5 Å²	73.5	62%	0.622	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-40.5	177.7	54.3	0	0	0	0	112.3	D77 S83	D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.1Å; S79-S83 WeakPolarHBondContact O-CB 3.48Å; S79-S83 PolarHBondContact O-N 3.47Å; S79-S83 PolarHBondContact O-OG 2.91Å
80	K	77.3	Confident	81.3	Confident	39 Å²	39	74 Å²	74	17%	0.17	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-42	175.3	-65.5	-176.3	-167	160.4	0	111.2	D77 A82 S83 W84 S124	D77-K80 HydrophobicContact CB-CB 4.31Å; D77-K80 HydrophobicContact CB-CD 4.18Å; D77-K80 HydrophobicContact CB-CG 4.43Å; D77-K80 PolarHBondContact O-N 3.37Å; D77-K80 WeakPolarHBondContact OD2-CE 3.28Å; D77-K80 IonicContact OD2-NZ 3.49Å; D77-K80 PolarHBondContact OD2-NZ 2.97Å; K80-A82 PolarHBondContact O-N 3.35Å; K80-S83 PolarHBondContact O-N 2.87Å; K80-W84 WeakPolarHBondContact O-CB 3.31Å; K80-W84 PolarHBondContact O-N 3.06Å; K80-S124 PolarHBondContact NZ-O 3.03Å
81	A	80.7	Confident	81.2	Confident	2 Å²	2	71.2 Å²	71.2	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-58.3	-47.7	175.4	0	0	0	0	0	111.3	Y69 F72 V73 D77 W84 K85	Y69-A81 HydrophobicContact CD2-CB 3.87Å; Y69-A81 WeakPolarHBondContact CD2-O 3.43Å; Y69-A81 HydrophobicContact CE2-CB 3.74Å; Y69-A81 VanDerWaalsContact CE2-O 3.27Å; Y69-A81 WeakPolarHBondContact CE2-O 3.4Å; F72-A81 HydrophobicContact CB-CB 3.8Å; V73-A81 HydrophobicContact CG2-CB 3.84Å; D77-A81 PolarHBondContact O-N 3.48Å; D77-A81 VanDerWaalsContact O-N 3.08Å; A81-W84 PolarHBondContact O-N 3.23Å; A81-K85 PolarHBondContact O-N 3.28Å; A81-K85 VanDerWaalsContact O-N 3.13Å
82	A	80.6	Confident	81.1	Confident	56 Å²	56	66.3 Å²	66.3	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-43.7	177.9	0	0	0	0	0	112.4	L78 K80 K85 R86	L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.12Å; K80-A82 PolarHBondContact O-N 3.35Å; A82-K85 PolarHBondContact O-N 3.27Å; A82-R86 PolarHBondContact O-N 3.04Å
83	S	81.9	Confident	80.9	Confident	11 Å²	11	69.5 Å²	69.5	8%	0.077	36%	0.362	C	S	.	.	H	α-helix	trans	-67.2	-42.5	179.4	-54.2	0	0	0	0	112	S79 K80 K85 R86 L87	S79-S83 WeakPolarHBondContact O-CB 3.48Å; S79-S83 PolarHBondContact O-N 3.47Å; S79-S83 PolarHBondContact O-OG 2.91Å; K80-S83 PolarHBondContact O-N 2.87Å; S83-K85 VanDerWaalsContact C-N 3.34Å; S83-K85 PolarHBondContact O-N 3.19Å; S83-R86 PolarHBondContact O-N 3.19Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CG 3.39Å; S83-L87 PolarHBondContact O-N 3.03Å
84	W	84.8	Confident	80.7	Confident	69 Å²	69	68.6 Å²	68.6	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-58.1	-45.9	177	179.2	-102.9	0	0	0	111.7	I65 I68 F72 K80 A81 T88 L115	I65-W84 PolarHBondContact O-NE1 3.12Å; I68-W84 HydrophobicContact CD1-CZ2 4.1Å; I68-W84 HydrophobicContact CG2-CD2 4.46Å; I68-W84 HydrophobicContact CG2-CZ2 4.12Å; F72-W84 HydrophobicContact CE2-CB 4.43Å; F72-W84 HydrophobicContact CE2-CD2 4.35Å; F72-W84 HydrophobicContact CE2-CG 4.23Å; K80-W84 WeakPolarHBondContact O-CB 3.31Å; K80-W84 PolarHBondContact O-N 3.06Å; A81-W84 PolarHBondContact O-N 3.23Å; W84-T88 HydrophobicContact CD2-CG2 4.43Å; W84-T88 HydrophobicContact CZ2-CG2 4.46Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 VanDerWaalsContact O-CG2 3.29Å; W84-T88 WeakPolarHBondContact O-CG2 3.49Å; W84-T88 PolarHBondContact O-N 3.37Å; W84-T88 VanDerWaalsContact O-N 3.12Å; W84-T88 PolarHBondContact O-OG1 3.27Å; W84-L115 HydrophobicContact CZ2-CD2 4.47Å
85	K	83.5	Confident	80.1	Confident	94 Å²	94	67.1 Å²	67.1	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-44.4	177.9	-169.6	170.6	-178.1	172.8	0	112	Y69 A81 A82 S83 T88 E89	Y69-K85 HydrophobicContact CD2-CB 3.98Å; Y69-K85 HydrophobicContact CD2-CD 4.39Å; Y69-K85 HydrophobicContact CE2-CB 4.07Å; Y69-K85 HydrophobicContact CE2-CD 4.1Å; A81-K85 PolarHBondContact O-N 3.28Å; A81-K85 VanDerWaalsContact O-N 3.13Å; A82-K85 PolarHBondContact O-N 3.27Å; S83-K85 VanDerWaalsContact C-N 3.34Å; S83-K85 PolarHBondContact O-N 3.19Å; K85-T88 PolarHBondContact O-OG1 2.87Å; K85-T88 VanDerWaalsContact O-OG1 3.06Å; K85-E89 WeakPolarHBondContact CE-OE1 3.33Å; K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 WeakPolarHBondContact O-CG 3.45Å; K85-E89 PolarHBondContact O-N 2.93Å
86	R	84.2	Confident	79.6	Confident	122 Å²	122	62.6 Å²	62.6	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-48.5	178.1	-179.5	178.6	55.4	-154.5	-26.5	112	A82 S83 E89 E90 E128	A82-R86 PolarHBondContact O-N 3.04Å; S83-R86 PolarHBondContact O-N 3.19Å; R86-E89 PolarHBondContact O-N 2.8Å; R86-E90 VanDerWaalsContact O-CB 3.3Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 PolarHBondContact O-N 3.42Å; R86-E128 IonicContact CZ-OE1 3.61Å; R86-E128 IonicContact CZ-OE2 2.79Å; R86-E128 IonicContact NE-OE1 2.74Å; R86-E128 PolarHBondContact NE-OE1 3.35Å; R86-E128 IonicContact NH1-OE2 3.71Å; R86-E128 IonicContact NH2-OE1 3.7Å; R86-E128 PolarHBondContact NH2-OE1 3.14Å; R86-E128 IonicContact NH2-OE2 3.74Å; R86-E128 PolarHBondContact NH2-OE2 3.44Å
87	L	82.1	Confident	79	Confident	45 Å²	45	64.5 Å²	64.5	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-36.7	-175.6	-70.3	171.5	0	0	0	112.5	S83 F91 Y126	S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CG 3.39Å; S83-L87 PolarHBondContact O-N 3.03Å; L87-F91 WeakPolarHBondContact O-CB 3.35Å; L87-F91 PolarHBondContact O-N 3Å; L87-Y126 HydrophobicContact CD1-CE1 4.02Å; L87-Y126 WeakPolarHBondContact CD1-OH 3.5Å
88	T	82.9	Confident	78	Confident	14 Å²	14	66.9 Å²	66.9	9%	0.086	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-40.5	175.1	49	0	0	0	0	111.3	I65 W84 K85 L92	I65-T88 HydrophobicContact CD1-CG2 4.43Å; I65-T88 HydrophobicContact CG2-CG2 4.2Å; W84-T88 HydrophobicContact CD2-CG2 4.43Å; W84-T88 HydrophobicContact CZ2-CG2 4.46Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 VanDerWaalsContact O-CG2 3.29Å; W84-T88 WeakPolarHBondContact O-CG2 3.49Å; W84-T88 PolarHBondContact O-N 3.37Å; W84-T88 VanDerWaalsContact O-N 3.12Å; W84-T88 PolarHBondContact O-OG1 3.27Å; K85-T88 PolarHBondContact O-OG1 2.87Å; K85-T88 VanDerWaalsContact O-OG1 3.06Å; T88-L92 WeakPolarHBondContact O-CB 3.47Å; T88-L92 VanDerWaalsContact O-CG 3.29Å; T88-L92 WeakPolarHBondContact O-CG 3.47Å; T88-L92 PolarHBondContact O-N 3.42Å
89	E	82.8	Confident	77.1	Confident	98 Å²	98	64.4 Å²	64.4	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-67.5	-41.1	173.7	-73.5	178	-172.7	0	0	112.4	K85 R86 L92 N93	K85-E89 WeakPolarHBondContact CE-OE1 3.33Å; K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 WeakPolarHBondContact O-CG 3.45Å; K85-E89 PolarHBondContact O-N 2.93Å; R86-E89 PolarHBondContact O-N 2.8Å; E89-L92 PolarHBondContact O-N 2.9Å; E89-N93 WeakPolarHBondContact O-CB 3.49Å; E89-N93 PolarHBondContact O-N 2.85Å; E89-N93 VanDerWaalsContact O-N 3.09Å; E89-N93 PolarHBondContact O-ND2 3.32Å
90	E	82.8	Confident	76.3	Confident	88 Å²	88	70 Å²	70	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.4	-168.6	-175.6	152.2	0	0	111.2	R86 N93 A94 R131	R86-E90 VanDerWaalsContact O-CB 3.3Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 PolarHBondContact O-N 3.42Å; E90-N93 CarbonylContact O-C 3.59Å; E90-N93 PolarHBondContact O-N 3.2Å; E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.43Å; E90-R131 IonicContact OE1-NH1 3.97Å
91	F	83.1	Confident	75.6	Confident	55 Å²	55	74.7 Å²	74.7	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-64.4	-43	176.3	178.2	-103	0	0	0	112.3	L87 N93 A94 H107 I110 L111	L87-F91 WeakPolarHBondContact O-CB 3.35Å; L87-F91 PolarHBondContact O-N 3Å; F91-N93 PolarHBondContact O-N 3.48Å; F91-A94 PolarHBondContact O-N 3.38Å; F91-H107 HydrophobicContact CE1-CB 4.17Å; F91-H107 PolarHBondContact O-CD2 3.35Å; F91-I110 HydrophobicContact CE1-CG2 4.46Å; F91-I110 HydrophobicContact CZ-CB 4.24Å; F91-I110 HydrophobicContact CZ-CD1 4.31Å; F91-I110 HydrophobicContact CZ-CG2 3.93Å; F91-L111 HydrophobicContact CD1-CD1 4.13Å; F91-L111 HydrophobicContact CD1-CD2 3.97Å; F91-L111 HydrophobicContact CD1-CG 3.98Å; F91-L111 HydrophobicContact CE1-CD1 4.34Å; F91-L111 HydrophobicContact CE1-CD2 4.19Å; F91-L111 HydrophobicContact CE1-CG 3.89Å
92	L	80.5	Confident	74.9	Confident	16 Å²	16	79.3 Å²	79.3	8%	0.084	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-26.9	176.5	-76.8	173.3	0	0	0	112.6	T88 E89 I102 K103 H107 Y108 L111	T88-L92 WeakPolarHBondContact O-CB 3.47Å; T88-L92 VanDerWaalsContact O-CG 3.29Å; T88-L92 WeakPolarHBondContact O-CG 3.47Å; T88-L92 PolarHBondContact O-N 3.42Å; E89-L92 PolarHBondContact O-N 2.9Å; L92-I102 WeakPolarHBondContact O-CG2 3.27Å; L92-K103 HydrophobicContact CB-CG 4.17Å; L92-K103 PolarHBondContact O-N 2.96Å; L92-H107 HydrophobicContact CD2-CB 4.02Å; L92-Y108 HydrophobicContact CD1-CE1 4.4Å; L92-Y108 HydrophobicContact CD2-CD1 4.24Å; L92-Y108 HydrophobicContact CD2-CE1 3.84Å; L92-Y108 HydrophobicContact CD2-CE2 4.24Å; L92-L111 HydrophobicContact CD2-CD1 3.86Å; L92-L111 HydrophobicContact CG-CD1 4.2Å
93	N	79.1	Confident	74.2	Confident	78 Å²	78	82 Å²	82	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-96.3	-4.3	179.7	-64.4	-33.8	0	0	0	114.1	E89 E90 F91 I102 K103	E89-N93 WeakPolarHBondContact O-CB 3.49Å; E89-N93 PolarHBondContact O-N 2.85Å; E89-N93 VanDerWaalsContact O-N 3.09Å; E89-N93 PolarHBondContact O-ND2 3.32Å; E90-N93 CarbonylContact O-C 3.59Å; E90-N93 PolarHBondContact O-N 3.2Å; F91-N93 PolarHBondContact O-N 3.48Å; N93-I102 HydrophobicContact CB-CG2 4.41Å; N93-K103 WeakPolarHBondContact OD1-CE 3.48Å
94	A	78.3	Confident	73.9	Confident	38 Å²	38	82.5 Å²	82.5	31%	0.314	42%	0.42	S	S	.	.	S	Bend	trans	-83.5	139.2	178.3	0	0	0	0	0	110.9	E90 F91 L96 H107	E90-A94 WeakPolarHBondContact O-CB 3.36Å; E90-A94 PolarHBondContact O-N 3.43Å; F91-A94 PolarHBondContact O-N 3.38Å; A94-L96 PolarHBondContact O-N 2.94Å; A94-H107 PolarHBondContact O-NE2 3.22Å
95	P	73.1	Confident	73.3	Confident	95 Å²	95	84.5 Å²	84.5	62%	0.617	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-72.5	128	174.2	28.7	-31.9	0	0	0	110.4
96	L	69.4	Low	72.8	Confident	33 Å²	33	81.8 Å²	81.8	17%	0.173	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-75.5	149.7	172.1	-76.2	165.4	0	0	0	110.2	A94 S98 I99 A106 H107 I110	A94-L96 PolarHBondContact O-N 2.94Å; L96-S98 PolarHBondContact O-N 2.75Å; L96-I99 PolarHBondContact N-O 3.39Å; L96-I99 PolarHBondContact O-N 2.93Å; L96-I99 VanDerWaalsContact O-O 3.08Å; L96-A106 HydrophobicContact CD1-CB 4.23Å; L96-H107 VanDerWaalsContact CD1-CE1 3.4Å; L96-H107 WeakPolarHBondContact CD1-CE1 3.43Å; L96-H107 WeakPolarHBondContact CD1-NE2 3.36Å; L96-H107 WeakPolarHBondContact CG-NE2 3.33Å; L96-I110 HydrophobicContact CD1-CD1 4.14Å; L96-I110 HydrophobicContact CD2-CD1 4.08Å
97	P	60.1	Low	72.5	Confident	138 Å²	138	76 Å²	76	90%	0.896	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.8	-175.1	-27.2	33.7	0	0	0	115.4
98	S	54.8	Low	72.4	Confident	108 Å²	108	74.4 Å²	74.4	76%	0.755	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-11	-177.1	39.1	0	0	0	0	114.6	L96	L96-S98 PolarHBondContact O-N 2.75Å
99	I	61.3	Low	72.2	Confident	65 Å²	65	76 Å²	76	33%	0.333	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-142.2	120.1	-175.6	-56.4	171.9	0	0	0	110.1	L96 E101 T104 A106	L96-I99 PolarHBondContact N-O 3.39Å; L96-I99 PolarHBondContact O-N 2.93Å; L96-I99 VanDerWaalsContact O-O 3.08Å; I99-E101 HydrophobicContact CG2-CB 3.92Å; I99-E101 HydrophobicContact CG2-CG 4.46Å; I99-E101 PolarHBondContact O-N 3.04Å; I99-T104 HydrophobicContact CG2-CG2 4.02Å; I99-A106 HydrophobicContact CD1-CB 4.43Å
100	K	58.8	Low	72	Confident	205 Å²	205	74.5 Å²	74.5	89%	0.891	41%	0.406	S	S	*	.			trans	-76.6	-6.8	179.4	-68.7	-173.1	177.5	-175.4	0	114.2
101	E	62.9	Low	71.9	Confident	138 Å²	138	71.1 Å²	71.1	65%	0.645	39%	0.391	S	S	*	.			trans	-85.1	141	-179.2	-65.6	-179.5	178.6	0	0	111.8	I99 T104	I99-E101 HydrophobicContact CG2-CB 3.92Å; I99-E101 HydrophobicContact CG2-CG 4.46Å; I99-E101 PolarHBondContact O-N 3.04Å; E101-T104 HydrophobicContact CB-CG2 3.6Å
102	I	65.6	Low	71.8	Confident	99 Å²	99	70 Å²	70	51%	0.508	39%	0.39	S	S	.	.	S	Bend	trans	-92.1	141.4	-178	-71.8	166.6	0	0	0	109	L92 N93	L92-I102 WeakPolarHBondContact O-CG2 3.27Å; N93-I102 HydrophobicContact CB-CG2 4.41Å
103	K	66.8	Low	71.7	Confident	113 Å²	113	74.3 Å²	74.3	49%	0.491	41%	0.412	S	S	.	.	S	Bend	trans	60	43.7	-178.9	-61.3	177.7	-178.9	-173.5	0	115.6	L92 N93 Y108	L92-K103 HydrophobicContact CB-CG 4.17Å; L92-K103 PolarHBondContact O-N 2.96Å; N93-K103 WeakPolarHBondContact OD1-CE 3.48Å; K103-Y108 HydrophobicContact CB-CE2 4.45Å
104	T	74.2	Confident	71.7	Confident	22 Å²	22	75.4 Å²	75.4	14%	0.135	42%	0.418	C	S	.	.			trans	-81.6	159.9	175.2	61.9	0	0	0	0	112.7	I99 E101 A106 H107 Y108	I99-T104 HydrophobicContact CG2-CG2 4.02Å; E101-T104 HydrophobicContact CB-CG2 3.6Å; T104-A106 PolarHBondContact O-N 2.62Å; T104-H107 PolarHBondContact N-ND1 3.33Å; T104-H107 WeakPolarHBondContact O-CB 3.31Å; T104-H107 PolarHBondContact O-N 3.1Å; T104-H107 PolarHBondContact OG1-CE1 2.99Å; T104-H107 PolarHBondContact OG1-ND1 3.45Å; T104-Y108 WeakPolarHBondContact O-CD2 3.42Å; T104-Y108 PolarHBondContact O-N 3.35Å
105	D	72	Confident	71.7	Confident	111 Å²	111	75.3 Å²	75.3	59%	0.594	41%	0.411	S	S	*	.	H	α-helix	trans	-55.2	-24.8	176.2	-66.8	-22.2	0	0	0	113	Y108 S109	D105-Y108 PolarHBondContact O-N 3.35Å; D105-S109 WeakPolarHBondContact O-CB 3.22Å; D105-S109 PolarHBondContact O-N 2.93Å; D105-S109 PolarHBondContact O-OG 3.09Å
106	A	73.1	Confident	71.7	Confident	36 Å²	36	75.6 Å²	75.6	30%	0.298	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-40.3	173.5	0	0	0	0	0	112.6	L96 I99 T104 S109 I110	L96-A106 HydrophobicContact CD1-CB 4.23Å; I99-A106 HydrophobicContact CD1-CB 4.43Å; T104-A106 PolarHBondContact O-N 2.62Å; A106-S109 PolarHBondContact O-N 3.17Å; A106-I110 WeakPolarHBondContact O-CG1 3.35Å; A106-I110 PolarHBondContact O-N 3.06Å
107	H	78.2	Confident	71.8	Confident	0 Å²	0	80 Å²	80	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-63.5	-46	176.3	-66.2	82.1	0	0	0	110.7	F91 L92 A94 L96 T104 S109 I110 L111	F91-H107 HydrophobicContact CE1-CB 4.17Å; F91-H107 PolarHBondContact O-CD2 3.35Å; L92-H107 HydrophobicContact CD2-CB 4.02Å; A94-H107 PolarHBondContact O-NE2 3.22Å; L96-H107 VanDerWaalsContact CD1-CE1 3.4Å; L96-H107 WeakPolarHBondContact CD1-CE1 3.43Å; L96-H107 WeakPolarHBondContact CD1-NE2 3.36Å; L96-H107 WeakPolarHBondContact CG-NE2 3.33Å; T104-H107 PolarHBondContact N-ND1 3.33Å; T104-H107 WeakPolarHBondContact O-CB 3.31Å; T104-H107 PolarHBondContact O-N 3.1Å; T104-H107 PolarHBondContact OG1-CE1 2.99Å; T104-H107 PolarHBondContact OG1-ND1 3.45Å; H107-S109 VanDerWaalsContact C-N 3.29Å; H107-S109 PolarHBondContact O-N 3.37Å; H107-I110 PolarHBondContact O-N 3.45Å; H107-L111 WeakPolarHBondContact O-CG 3.38Å; H107-L111 PolarHBondContact O-N 3.38Å
108	Y	81.6	Confident	72.3	Confident	13 Å²	13	75.6 Å²	75.6	5%	0.051	41%	0.41	C	S	.	.	H	α-helix	trans	-65.2	-34.8	176.6	-67.3	-74.6	0	0	0	111.6	I61 E62 L92 K103 T104 D105 L111 S112	I61-Y108 HydrophobicContact CB-CD1 4.46Å; I61-Y108 VanDerWaalsContact CD1-O 3.24Å; I61-Y108 WeakPolarHBondContact CD1-O 3.42Å; I61-Y108 HydrophobicContact CG2-CD1 4.37Å; E62-Y108 HydrophobicContact CG-CE1 3.9Å; E62-Y108 PolarHBondContact OE1-OH 3.48Å; L92-Y108 HydrophobicContact CD1-CE1 4.4Å; L92-Y108 HydrophobicContact CD2-CD1 4.24Å; L92-Y108 HydrophobicContact CD2-CE1 3.84Å; L92-Y108 HydrophobicContact CD2-CE2 4.24Å; K103-Y108 HydrophobicContact CB-CE2 4.45Å; T104-Y108 WeakPolarHBondContact O-CD2 3.42Å; T104-Y108 PolarHBondContact O-N 3.35Å; D105-Y108 PolarHBondContact O-N 3.35Å; Y108-L111 PolarHBondContact O-N 3.06Å; Y108-S112 WeakPolarHBondContact O-CB 3.33Å; Y108-S112 PolarHBondContact O-N 2.94Å
109	S	76.9	Confident	72.5	Confident	47 Å²	47	78 Å²	78	33%	0.329	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-41.4	175.4	-61.1	0	0	0	0	112.7	D105 A106 H107 S112 L113	D105-S109 WeakPolarHBondContact O-CB 3.22Å; D105-S109 PolarHBondContact O-N 2.93Å; D105-S109 PolarHBondContact O-OG 3.09Å; A106-S109 PolarHBondContact O-N 3.17Å; H107-S109 VanDerWaalsContact C-N 3.29Å; H107-S109 PolarHBondContact O-N 3.37Å; S109-S112 WeakPolarHBondContact O-CB 3.24Å; S109-S112 PolarHBondContact O-N 3.05Å; S109-L113 PolarHBondContact O-N 3.38Å
110	I	79.5	Confident	72.6	Confident	66 Å²	66	78 Å²	78	34%	0.338	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-44.8	174.7	-65.8	164.4	0	0	0	110.5	F91 L96 A106 H107 S112 L113 L114	F91-I110 HydrophobicContact CE1-CG2 4.46Å; F91-I110 HydrophobicContact CZ-CB 4.24Å; F91-I110 HydrophobicContact CZ-CD1 4.31Å; F91-I110 HydrophobicContact CZ-CG2 3.93Å; L96-I110 HydrophobicContact CD1-CD1 4.14Å; L96-I110 HydrophobicContact CD2-CD1 4.08Å; A106-I110 WeakPolarHBondContact O-CG1 3.35Å; A106-I110 PolarHBondContact O-N 3.06Å; H107-I110 PolarHBondContact O-N 3.45Å; I110-S112 VanDerWaalsContact C-N 3.31Å; I110-S112 PolarHBondContact O-N 3.46Å; I110-L113 WeakPolarHBondContact O-CB 3.38Å; I110-L113 PolarHBondContact O-N 2.87Å; I110-L114 HydrophobicContact CG2-CD1 4.11Å; I110-L114 HydrophobicContact CG2-CG 4.5Å; I110-L114 WeakPolarHBondContact O-CG 3.33Å; I110-L114 PolarHBondContact O-N 3.08Å
111	L	80.1	Confident	72.7	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-39.7	175.9	-72.8	171.2	0	0	0	112	I61 I65 F91 L92 H107 Y108 L113 L114 L115	I61-L111 HydrophobicContact CG2-CB 4.2Å; I65-L111 HydrophobicContact CD1-CD1 4.22Å; F91-L111 HydrophobicContact CD1-CD1 4.13Å; F91-L111 HydrophobicContact CD1-CD2 3.97Å; F91-L111 HydrophobicContact CD1-CG 3.98Å; F91-L111 HydrophobicContact CE1-CD1 4.34Å; F91-L111 HydrophobicContact CE1-CD2 4.19Å; F91-L111 HydrophobicContact CE1-CG 3.89Å; L92-L111 HydrophobicContact CD2-CD1 3.86Å; L92-L111 HydrophobicContact CG-CD1 4.2Å; H107-L111 WeakPolarHBondContact O-CG 3.38Å; H107-L111 PolarHBondContact O-N 3.38Å; Y108-L111 PolarHBondContact O-N 3.06Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L111-L114 PolarHBondContact O-N 3.46Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.41Å
112	S	80.8	Confident	72.6	Confident	32 Å²	32	65.4 Å²	65.4	22%	0.224	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-43.7	174.9	-165.2	0	0	0	0	112.1	Y108 S109 I110 L115 C116	Y108-S112 WeakPolarHBondContact O-CB 3.33Å; Y108-S112 PolarHBondContact O-N 2.94Å; S109-S112 WeakPolarHBondContact O-CB 3.24Å; S109-S112 PolarHBondContact O-N 3.05Å; I110-S112 VanDerWaalsContact C-N 3.31Å; I110-S112 PolarHBondContact O-N 3.46Å; S112-L115 PolarHBondContact O-N 3.13Å; S112-C116 WeakPolarHBondContact O-CB 3.41Å; S112-C116 PolarHBondContact O-N 3.4Å; S112-C116 PolarHBondContact O-SG 3.4Å
113	L	79.2	Confident	72.4	Confident	105 Å²	105	67.2 Å²	67.2	55%	0.55	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-48.4	177.2	-179.4	66.9	0	0	0	110.6	S109 I110 L111 L115 C116 L117	S109-L113 PolarHBondContact O-N 3.38Å; I110-L113 WeakPolarHBondContact O-CB 3.38Å; I110-L113 PolarHBondContact O-N 2.87Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.32Å; L113-C116 PolarHBondContact O-N 2.96Å; L113-L117 HydrophobicContact CD1-CD1 4.14Å; L113-L117 HydrophobicContact CD1-CG 4.41Å; L113-L117 HydrophobicContact CG-CD1 3.97Å; L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 2.98Å
114	L	79	Confident	72.2	Confident	102 Å²	102	64.8 Å²	64.8	53%	0.534	38%	0.38	S	S	.	.	H	α-helix	trans	-61.6	-40.9	178.6	-68.9	173.7	0	0	0	112	I110 L111 L117 S118	I110-L114 HydrophobicContact CG2-CD1 4.11Å; I110-L114 HydrophobicContact CG2-CG 4.5Å; I110-L114 WeakPolarHBondContact O-CG 3.33Å; I110-L114 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 3.08Å; L114-S118 WeakPolarHBondContact O-CB 3.42Å; L114-S118 PolarHBondContact O-N 3.3Å; L114-S118 PolarHBondContact O-OG 3.11Å
115	L	77.6	Confident	71.5	Confident	35 Å²	35	67 Å²	67	18%	0.183	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-41	175.8	-74.1	170.4	0	0	0	112.1	I61 I68 W84 L111 S112 L113 L117 S118	I61-L115 HydrophobicContact CG2-CD1 4.04Å; I68-L115 HydrophobicContact CD1-CD2 3.85Å; W84-L115 HydrophobicContact CZ2-CD2 4.47Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3.41Å; S112-L115 PolarHBondContact O-N 3.13Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.32Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 3.37Å; L115-S118 PolarHBondContact O-N 2.97Å; L115-S118 PolarHBondContact O-OG 3.5Å
116	C	72.9	Confident	71	Confident	102 Å²	102	66.4 Å²	66.4	69%	0.689	39%	0.387	S	S	*	.	H	α-helix	trans	-68.6	-29	177.2	-71.6	0	0	0	0	113	S112 L113	S112-C116 WeakPolarHBondContact O-CB 3.41Å; S112-C116 PolarHBondContact O-N 3.4Å; S112-C116 PolarHBondContact O-SG 3.4Å; L113-C116 PolarHBondContact O-N 2.96Å
117	L	71.7	Confident	70.4	Confident	126 Å²	126	69 Å²	69	66%	0.66	40%	0.399	S	S	*	.	H	α-helix	trans	-83	-15.8	175.8	-68.7	172.7	0	0	0	112.9	L113 L114 L115 D119	L113-L117 HydrophobicContact CD1-CD1 4.14Å; L113-L117 HydrophobicContact CD1-CG 4.41Å; L113-L117 HydrophobicContact CG-CD1 3.97Å; L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 2.98Å; L114-L117 PolarHBondContact O-N 3.08Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 3.37Å; L117-D119 PolarHBondContact O-N 3.07Å
118	S	71.1	Confident	69.3	Low	45 Å²	45	72.3 Å²	72.3	32%	0.315	41%	0.414	S	S	.	.			trans	-86.9	108.2	179.2	68.4	0	0	0	0	111	L114 L115 S120	L114-S118 WeakPolarHBondContact O-CB 3.42Å; L114-S118 PolarHBondContact O-N 3.3Å; L114-S118 PolarHBondContact O-OG 3.11Å; L115-S118 PolarHBondContact O-N 2.97Å; L115-S118 PolarHBondContact O-OG 3.5Å; S118-S120 VanDerWaalsContact C-N 3.28Å; S118-S120 PolarHBondContact O-N 2.87Å
119	D	59.9	Low	68	Low	158 Å²	158	76 Å²	76	85%	0.845	44%	0.438	S	S	*	.	S	Bend	trans	-70	-21	-177.6	-79.4	-34.6	0	0	0	113.5	L117	L117-D119 PolarHBondContact O-N 3.07Å
120	S	62.1	Low	66.9	Low	66 Å²	66	79.1 Å²	79.1	46%	0.462	46%	0.457	S	S	.	.			trans	-169.5	87.4	177.3	-69.9	0	0	0	0	112.8	S118 S122 N123	S118-S120 VanDerWaalsContact C-N 3.28Å; S118-S120 PolarHBondContact O-N 2.87Å; S120-S122 PolarHBondContact O-N 3.06Å; S120-N123 PolarHBondContact O-N 3.46Å
121	P	61	Low	65.6	Low	34 Å²	34	84.7 Å²	84.7	22%	0.221	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.4	-178	24.7	-32.8	0	0	0	113.6	I68 F72 S124	I68-P121 HydrophobicContact CD1-CB 4.41Å; I68-P121 HydrophobicContact CD1-CG 3.74Å; I68-P121 HydrophobicContact CG1-CG 4.19Å; F72-P121 VanDerWaalsContact CZ-O 3.23Å; F72-P121 WeakPolarHBondContact CZ-O 3.45Å; P121-S124 PolarHBondContact O-OG 3.21Å
122	S	60.7	Low	64	Low	44 Å²	44	91 Å²	91	31%	0.308	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.9	-177.7	51.5	0	0	0	0	114.9	S120	S120-S122 PolarHBondContact O-N 3.06Å
123	N	62.9	Low	62.2	Low	137 Å²	137	98.6 Å²	98.6	73%	0.733	54%	0.537	S	S	*	.	S	Bend	trans	-101.4	-1	-172.6	-70.1	-2.5	0	0	0	113.5	S120	S120-N123 PolarHBondContact O-N 3.46Å
124	S	62.7	Low	60.4	Low	61 Å²	61	102.8 Å²	102.8	43%	0.427	55%	0.554	S	S	.	*	S	Bend	trans	-88.7	136.9	179	57	0	0	0	0	112.2	K80 P121 Y126	K80-S124 PolarHBondContact NZ-O 3.03Å; P121-S124 PolarHBondContact O-OG 3.21Å; S124-Y126 VanDerWaalsContact C-N 3.34Å; S124-Y126 PolarHBondContact O-N 3.23Å
125	S	57.9	Low	58.7	Low	70 Å²	70	104 Å²	104	49%	0.49	57%	0.566	S	S	.	*			trans	-80.3	74.9	176.3	40.9	0	0	0	0	111.3	V127 E623	S125-V127 PolarHBondContact O-N 3.2Å; S125-E623 PolarHBondContact OG-OE2 3Å
126	Y	63	Low	57	Low	98 Å²	98	110.7 Å²	110.7	38%	0.384	60%	0.596	S	S	.	*			trans	-75	125.8	173.6	-174	-105.3	0	0	0	111.6	L87 S124 E128	L87-Y126 HydrophobicContact CD1-CE1 4.02Å; L87-Y126 WeakPolarHBondContact CD1-OH 3.5Å; S124-Y126 VanDerWaalsContact C-N 3.34Å; S124-Y126 PolarHBondContact O-N 3.23Å; Y126-E128 HydrophobicContact CE1-CB 3.97Å
127	V	60.3	Low	55.6	Low	89 Å²	89	115.3 Å²	115.3	54%	0.539	60%	0.604	S	S	.	*			trans	-121.9	121.5	167	178.6	0	0	0	0	106.6	S125 T129	S125-V127 PolarHBondContact O-N 3.2Å; V127-T129 PolarHBondContact O-N 3.44Å
128	E	54.6	Low	54.2	Low	70 Å²	70	118.8 Å²	118.8	33%	0.327	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-61.8	118.9	-175.7	-175.1	174.2	-131.6	0	0	111.6	R86 Y126	R86-E128 IonicContact CZ-OE1 3.61Å; R86-E128 IonicContact CZ-OE2 2.79Å; R86-E128 IonicContact NE-OE1 2.74Å; R86-E128 PolarHBondContact NE-OE1 3.35Å; R86-E128 IonicContact NH1-OE2 3.71Å; R86-E128 IonicContact NH2-OE1 3.7Å; R86-E128 PolarHBondContact NH2-OE1 3.14Å; R86-E128 IonicContact NH2-OE2 3.74Å; R86-E128 PolarHBondContact NH2-OE2 3.44Å; Y126-E128 HydrophobicContact CE1-CB 3.97Å
129	T	55	Low	52.9	Low	90 Å²	90	124.1 Å²	124.1	55%	0.552	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-86.4	122.5	167.1	49.8	0	0	0	0	108.1	V127 R131	V127-T129 PolarHBondContact O-N 3.44Å; T129-R131 PolarHBondContact O-N 3.5Å
130	P	53.8	Low	52.1	Low	113 Å²	113	124.8 Å²	124.8	73%	0.734	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.4	177.3	23.8	-30.9	0	0	0	109	N132	P130-N132 PolarHBondContact O-N 3.36Å; P130-N132 VanDerWaalsContact O-N 3.12Å
131	R	51.4	Low	51.9	Low	183 Å²	183	127.6 Å²	127.6	69%	0.691	65%	0.647	S	S	*	*			trans	-62.8	115.9	169.8	-82	179.7	170.8	168.5	-4.7	107.6	E90 T129 K133	E90-R131 IonicContact OE1-NH1 3.97Å; T129-R131 PolarHBondContact O-N 3.5Å; R131-K133 PolarHBondContact O-N 2.93Å
132	N	46	Very low	52	Low	151 Å²	151	130.9 Å²	130.9	81%	0.807	66%	0.663	S	S	*	*			trans	-55.8	115.4	163.8	-77.3	-20	0	0	0	106.7	P130 E134	P130-N132 PolarHBondContact O-N 3.36Å; P130-N132 VanDerWaalsContact O-N 3.12Å; N132-E134 PolarHBondContact O-N 2.89Å; N132-E134 VanDerWaalsContact O-N 3.12Å
133	K	44.1	Very low	52	Low	192 Å²	192	137.3 Å²	137.3	84%	0.835	68%	0.68	S	S	*	*			trans	-56.1	121.8	168.9	-81.6	-179	174.7	179.7	0	106.2	R131 V135	R131-K133 PolarHBondContact O-N 2.93Å; K133-V135 PolarHBondContact O-N 3.19Å
134	E	41.7	Very low	52.1	Low	192 Å²	192	132.7 Å²	132.7	90%	0.897	67%	0.665	S	S	*	*			trans	-52.5	108.7	166.3	-69.7	-177.6	176.4	0	0	106.7	N132 E136	N132-E134 PolarHBondContact O-N 2.89Å; N132-E134 VanDerWaalsContact O-N 3.12Å; E134-E136 PolarHBondContact O-N 3.33Å; E134-E136 VanDerWaalsContact O-N 3.08Å
135	V	41.7	Very low	52.1	Low	129 Å²	129	136.5 Å²	136.5	78%	0.782	67%	0.674	S	S	*	*			trans	-67.8	109.4	174	178	0	0	0	0	104.6	K133 K137	K133-V135 PolarHBondContact O-N 3.19Å; V135-K137 PolarHBondContact O-N 3.39Å; V135-K137 VanDerWaalsContact O-N 3.12Å
136	E	43.4	Very low	52.4	Low	175 Å²	175	139.3 Å²	139.3	82%	0.818	68%	0.675	S	S	*	*			trans	-47.7	123.8	167.9	-72.8	-176	160	0	0	107.6	E134 K138	E134-E136 PolarHBondContact O-N 3.33Å; E134-E136 VanDerWaalsContact O-N 3.08Å; E136-K138 PolarHBondContact O-N 2.98Å
137	K	42	Very low	52.2	Low	199 Å²	199	141.1 Å²	141.1	87%	0.865	69%	0.69	S	S	*	*			trans	-52.9	112.8	175.8	-71.4	-177.2	176.9	-177.2	0	107.4	V135 D139	V135-K137 PolarHBondContact O-N 3.39Å; V135-K137 VanDerWaalsContact O-N 3.12Å; K137-D139 PolarHBondContact O-N 3.11Å
138	K	43.9	Very low	51.9	Low	198 Å²	198	143.5 Å²	143.5	86%	0.861	70%	0.697	S	S	*	*			trans	-65.1	121.4	166.2	-80.9	-176.7	174.5	178	0	106.6	E136 D140	E136-K138 PolarHBondContact O-N 2.98Å; K138-D140 PolarHBondContact O-N 3.36Å
139	D	41.9	Very low	52.1	Low	157 Å²	157	146.2 Å²	146.2	84%	0.84	71%	0.71	S	S	*	*			trans	-55.6	127.9	170.9	-74.5	-35.4	0	0	0	109.3	K137 F141	K137-D139 PolarHBondContact O-N 3.11Å; D139-F141 PolarHBondContact O-N 2.81Å
140	D	44.6	Very low	51.9	Low	173 Å²	173	149.4 Å²	149.4	93%	0.925	72%	0.723	S	S	*	*			trans	-64.9	99.1	172.5	-88	-30.2	0	0	0	109.1	K138	K138-D140 PolarHBondContact O-N 3.36Å
141	F	56.8	Low	51.6	Low	124 Å²	124	151.3 Å²	151.3	54%	0.544	72%	0.723	S	S	.	*			trans	-85.7	114.3	171.9	-172.2	-99.2	0	0	0	109.5	D139 W143 Y146	D139-F141 PolarHBondContact O-N 2.81Å; F141-W143 HydrophobicContact CD1-CD2 4.47Å; F141-W143 PolarHBondContact O-N 3.23Å; F141-Y146 HydrophobicContact CE1-CD1 4.31Å; F141-Y146 HydrophobicContact CE1-CD2 4.2Å; F141-Y146 AromaticContact CE1-CG 3.86Å; F141-Y146 HydrophobicContact CE1-CG 3.86Å; F141-Y146 AromaticContact CZ-CD2 3.68Å; F141-Y146 HydrophobicContact CZ-CD2 3.68Å; F141-Y146 HydrophobicContact CZ-CE2 4.33Å; F141-Y146 AromaticContact CZ-CG 3.82Å; F141-Y146 HydrophobicContact CZ-CG 3.82Å
142	D	63.9	Low	51	Low	104 Å²	104	151.8 Å²	151.8	56%	0.556	73%	0.733	S	S	*	*			trans	-76.7	97.6	-178.6	-176.3	-1.4	0	0	0	111.4	G144 K145 Y146	D142-G144 PolarHBondContact O-N 3.03Å; D142-G144 PolarHBondContact OD1-N 3.42Å; D142-K145 HydrophobicContact CB-CB 4.37Å; D142-K145 PolarHBondContact O-N 3.42Å; D142-Y146 PolarHBondContact O-N 2.86Å
143	W	60.5	Low	50.4	Low	178 Å²	178	152.4 Å²	152.4	67%	0.674	73%	0.733	S	S	*	*	H	α-helix	trans	-57.7	-29.3	176.3	-69.2	99.3	0	0	0	113.6	F141 K145 L147	F141-W143 HydrophobicContact CD1-CD2 4.47Å; F141-W143 PolarHBondContact O-N 3.23Å; W143-K145 VanDerWaalsContact C-N 3.34Å; W143-L147 WeakPolarHBondContact O-CB 3.23Å; W143-L147 WeakPolarHBondContact O-CD1 3.07Å; W143-L147 WeakPolarHBondContact O-CG 3.42Å; W143-L147 PolarHBondContact O-N 3.24Å
144	G	64.5	Low	49.9	Very low	40 Å²	40	150.9 Å²	150.9	41%	0.412	73%	0.733	S	S	.	*	H	α-helix	trans	-68.9	-35.7	-178.4	0	0	0	0	0	111.9	D142 M148	D142-G144 PolarHBondContact O-N 3.03Å; D142-G144 PolarHBondContact OD1-N 3.42Å; G144-M148 WeakPolarHBondContact O-CB 3.47Å; G144-M148 WeakPolarHBondContact O-CG 3.46Å; G144-M148 PolarHBondContact O-N 3.29Å
145	K	62.5	Low	49.5	Very low	142 Å²	142	149 Å²	149	62%	0.617	73%	0.728	S	S	*	*	H	α-helix	trans	-75.5	-38.7	178.2	-153.4	177.4	-174.7	-175	0	112.1	D142 W143 M148 E149	D142-K145 HydrophobicContact CB-CB 4.37Å; D142-K145 PolarHBondContact O-N 3.42Å; W143-K145 VanDerWaalsContact C-N 3.34Å; K145-M148 PolarHBondContact O-N 3.07Å; K145-E149 WeakPolarHBondContact O-CG 3.37Å; K145-E149 PolarHBondContact O-N 3.42Å
146	Y	64.9	Low	49	Very low	129 Å²	129	146 Å²	146	51%	0.506	72%	0.723	S	S	.	*	H	α-helix	trans	-67.4	-37.6	177.4	-173.6	-107.4	0	0	0	112.8	F141 D142 M148 E149	F141-Y146 HydrophobicContact CE1-CD1 4.31Å; F141-Y146 HydrophobicContact CE1-CD2 4.2Å; F141-Y146 AromaticContact CE1-CG 3.86Å; F141-Y146 HydrophobicContact CE1-CG 3.86Å; F141-Y146 AromaticContact CZ-CD2 3.68Å; F141-Y146 HydrophobicContact CZ-CD2 3.68Å; F141-Y146 HydrophobicContact CZ-CE2 4.33Å; F141-Y146 AromaticContact CZ-CG 3.82Å; F141-Y146 HydrophobicContact CZ-CG 3.82Å; D142-Y146 PolarHBondContact O-N 2.86Å; Y146-M148 VanDerWaalsContact C-N 3.27Å; Y146-M148 PolarHBondContact O-N 3.17Å; Y146-E149 PolarHBondContact O-N 3.06Å
147	L	59	Low	48.9	Very low	135 Å²	135	143.3 Å²	143.3	71%	0.707	72%	0.721	S	S	*	*	H	α-helix	trans	-73.3	-19	176.8	-78.5	163.6	0	0	0	113.6	W143	W143-L147 WeakPolarHBondContact O-CB 3.23Å; W143-L147 WeakPolarHBondContact O-CD1 3.07Å; W143-L147 WeakPolarHBondContact O-CG 3.42Å; W143-L147 PolarHBondContact O-N 3.24Å
148	M	53.9	Low	48.6	Very low	139 Å²	139	144.6 Å²	144.6	69%	0.685	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-2.4	178.9	-64.3	-100.8	-72	0	0	112.6	G144 K145 Y146 D150	G144-M148 WeakPolarHBondContact O-CB 3.47Å; G144-M148 WeakPolarHBondContact O-CG 3.46Å; G144-M148 PolarHBondContact O-N 3.29Å; K145-M148 PolarHBondContact O-N 3.07Å; Y146-M148 VanDerWaalsContact C-N 3.27Å; Y146-M148 PolarHBondContact O-N 3.17Å; M148-D150 VanDerWaalsContact C-N 3.31Å; M148-D150 PolarHBondContact O-N 3.43Å
149	E	58.8	Low	48	Very low	127 Å²	127	142.7 Å²	142.7	59%	0.593	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-16.4	-179.4	-94.1	173.9	176	0	0	113.3	K145 Y146	K145-E149 WeakPolarHBondContact O-CG 3.37Å; K145-E149 PolarHBondContact O-N 3.42Å; Y146-E149 PolarHBondContact O-N 3.06Å
150	D	50.9	Low	47.4	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	1.8	180	-73.6	-28.4	0	0	0	114.5	M148	M148-D150 VanDerWaalsContact C-N 3.31Å; M148-D150 PolarHBondContact O-N 3.43Å
151	E	46.6	Very low	47	Very low	154 Å²	154	140.7 Å²	140.7	72%	0.72	71%	0.713	S	S	*	*			trans	-104.4	79.8	173.6	-79.6	-168	163.8	0	0	111.8	M153	E151-M153 PolarHBondContact O-N 2.97Å; E151-M153 VanDerWaalsContact O-N 3.08Å
152	E	39.6	Very low	46	Very low	193 Å²	193	140.3 Å²	140.3	90%	0.902	72%	0.723	S	S	*	*			trans	-70.3	96.1	162.1	-74.3	-172.6	160.3	0	0	109.9	D154	E152-D154 PolarHBondContact O-N 2.88Å
153	M	34.1	Very low	44.3	Very low	164 Å²	164	140.7 Å²	140.7	81%	0.808	73%	0.725	S	S	*	*			trans	-79.4	96.1	162.8	-77.1	-156.5	69.6	0	0	110.5	E151	E151-M153 PolarHBondContact O-N 2.97Å; E151-M153 VanDerWaalsContact O-N 3.08Å
154	D	32.4	Very low	42.9	Very low	159 Å²	159	144 Å²	144	85%	0.85	74%	0.737	S	S	*	*			trans	-88.5	138	161	-161.8	10.3	0	0	0	110.7	E152	E152-D154 PolarHBondContact O-N 2.88Å
155	I	33	Very low	41.3	Very low	153 Å²	153	147.3 Å²	147.3	79%	0.785	75%	0.754	S	S	*	*			trans	-100	117.1	-166.2	-67.1	173	0	0	0	111
156	G	31.2	Very low	39.7	Very low	66 Å²	66	147.5 Å²	147.5	68%	0.68	76%	0.757	S	S	*	*			trans	100.4	171.8	142.7	0	0	0	0	0	117.9
157	P	41.3	Very low	37.9	Very low	119 Å²	119	149.5 Å²	149.5	77%	0.773	77%	0.771	S	S	*	*			cis	-129.1	131.8	-25.6	33.8	-15.6	0	0	0	113.7
158	Y	35.9	Very low	36.6	Very low	225 Å²	225	148.3 Å²	148.3	88%	0.882	77%	0.774	S	S	*	*			trans	59	152.8	160.9	-88.5	-89.8	0	0	0	122.2
159	M	31.4	Very low	35.4	Very low	158 Å²	158	149.9 Å²	149.9	78%	0.778	78%	0.78	S	S	*	*			trans	87.1	124.2	174.7	-51.4	-57.7	-175.1	0	0	114
160	D	30.5	Very low	34	Very low	145 Å²	145	152.1 Å²	152.1	78%	0.775	79%	0.79	S	S	*	*			cis	-153.6	135.4	19.2	-82	-49.8	0	0	0	108.9
161	T	35.1	Very low	33	Very low	143 Å²	143	153.1 Å²	153.1	88%	0.877	79%	0.79	S	S	*	*			trans	-122.7	118.3	158.9	-22.9	0	0	0	0	107.7	N163	T161-N163 PolarHBondContact O-N 3.25Å
162	P	35.8	Very low	32	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	79%	0.79	S	S	*	*			trans	-77.2	115.1	-170.9	8.9	0.7	0	0	0	112.4
163	N	28.8	Very low	31.4	Very low	113 Å²	113	148.4 Å²	148.4	60%	0.604	78%	0.776	S	S	*	*			trans	17.3	109.6	132.4	-155.2	10.1	0	0	0	117.9	T161	T161-N163 PolarHBondContact O-N 3.25Å
164	W	31.5	Very low	31.2	Very low	246 Å²	246	148.6 Å²	148.6	93%	0.932	78%	0.775	S	S	*	*			trans	-136.9	116.2	137	-76.8	99.4	0	0	0	110.3
165	S	31	Very low	31	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	78%	0.777	S	S	*	*			trans	71.2	84.1	161.7	43.7	0	0	0	0	118.5
166	E	28.4	Very low	31.1	Very low	147 Å²	147	147.7 Å²	147.7	69%	0.687	77%	0.771	S	S	*	*				-20.3	148.4	128.5	-83.5	171.7	168.6	0	0	118
167	E	27	Very low	30.8	Very low	171 Å²	171	152.2 Å²	152.2	80%	0.799	78%	0.779	S	S	*	*			trans	74.9	134.4	146.8	-74	174.7	-177	0	0	118.9
168	S	30.7	Very low	30.1	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	78%	0.778	S	S	*	*			cis	-172.5	162.3	-10.7	36.6	0	0	0	0	106.5
169	E	28.7	Very low	29.9	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	77%	0.773	S	S	*	*			trans	-59.7	149.3	-179.4	-55.9	177.7	158.4	0	0	113.1
170	E	30	Very low	29.8	Very low	174 Å²	174	150.8 Å²	150.8	81%	0.813	77%	0.771	S	S	*	*				166.5	132	112.3	-88.1	-178.2	-175.2	0	0	113.4
171	E	29.5	Very low	29.7	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	77%	0.771	S	S	*	*			trans	26.9	117.6	142.5	-66	-170.2	163.9	0	0	123
172	N	26.5	Very low	29.6	Very low	134 Å²	134	149.4 Å²	149.4	72%	0.717	77%	0.767	S	S	*	*				86.5	139	118.4	-152.5	33.9	0	0	0	121.6
173	D	26.1	Very low	29.4	Very low	115 Å²	115	147.1 Å²	147.1	62%	0.615	77%	0.765	S	S	*	*			trans	88.8	121.2	157.8	-75.5	-33.1	0	0	0	123.1
174	Q	30.9	Very low	29.4	Very low	167 Å²	167	149.9 Å²	149.9	78%	0.78	78%	0.777	S	S	*	*			trans	87.8	99.3	139.6	-68.3	163.5	22.4	0	0	120.9
175	Q	28.3	Very low	29.2	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	78%	0.776	S	S	*	*				28.7	151.8	127.9	-84.1	-164.2	-24.4	0	0	122.8
176	P	34	Very low	29.2	Very low	101 Å²	101	148 Å²	148	66%	0.656	78%	0.775	S	S	*	*			trans	-108.7	166.6	-138.5	40.4	-31.4	0	0	0	113.4
177	L	24.9	Very low	29.3	Very low	161 Å²	161	148 Å²	148	84%	0.843	78%	0.78	S	S	*	*				168.4	137.4	128.3	-91.3	158.8	0	0	0	113
178	S	28.3	Very low	29.3	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	79%	0.786	S	S	*	*			trans	74.7	138.8	153.3	90.5	0	0	0	0	116
179	R	30.1	Very low	29.7	Very low	206 Å²	206	152.7 Å²	152.7	78%	0.777	79%	0.788	S	S	*	*			cis	-168.8	138.4	11.6	-140.9	174.1	164	146.1	-6.2	107.4
180	E	30.2	Very low	30.3	Very low	158 Å²	158	149.6 Å²	149.6	74%	0.738	78%	0.784	S	S	*	*			trans	39.7	104.7	145.5	-62.1	167.8	-132.1	0	0	118.2
181	D	28.2	Very low	30.3	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	78%	0.781	S	S	*	*				-174.1	136.3	107.3	-158.6	-5.1	0	0	0	110.9
182	S	33.7	Very low	30.8	Very low	111 Å²	111	148 Å²	148	78%	0.776	78%	0.78	S	S	*	*			trans	55.1	110.4	159.1	-62	0	0	0	0	117.5
183	G	30.5	Very low	30.8	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	79%	0.788	S	S	*	*			cis	144	133.8	32.1	0	0	0	0	0	106.3
184	I	29.8	Very low	31.1	Very low	170 Å²	170	153.7 Å²	153.7	87%	0.872	80%	0.798	S	S	*	*			trans	77.1	97.5	171.4	-52.4	166.6	0	0	0	115.2
185	Q	26.2	Very low	31	Very low	194 Å²	194	152.5 Å²	152.5	91%	0.907	80%	0.797	S	S	*	*			trans	-114.2	132.7	161.2	-120.2	175.9	4.7	0	0	108.2
186	V	32.4	Very low	31.3	Very low	124 Å²	124	151.1 Å²	151.1	75%	0.752	79%	0.791	S	S	*	*			trans	-98.7	119.9	167.9	-172.3	0	0	0	0	107.8
187	D	28.5	Very low	30.9	Very low	147 Å²	147	153.8 Å²	153.8	79%	0.786	80%	0.8	S	S	*	*			trans	25.4	117.4	154.7	-63.4	-28.2	0	0	0	121.6
188	R	27.3	Very low	31.6	Very low	245 Å²	245	158 Å²	158	93%	0.925	80%	0.804	S	S	*	*				-116.7	133	129.5	-97	-170.5	177.1	-177.6	0.8	109
189	T	39.5	Very low	31.5	Very low	132 Å²	132	162.1 Å²	162.1	81%	0.81	81%	0.809	S	S	*	*			trans	-55.8	151.5	169.6	45.6	0	0	0	0	111.4
190	P	40.7	Very low	31.9	Very low	109 Å²	109	160.6 Å²	160.6	71%	0.708	82%	0.815	S	S	*	*				-159.5	164.3	80.7	39.6	-17.6	0	0	0	119
191	L	31.8	Very low	31.8	Very low	146 Å²	146	160.4 Å²	160.4	76%	0.764	82%	0.819	S	S	*	*			trans	55	131.7	143.5	-79.7	151.6	0	0	0	122.8
192	E	39.3	Very low	32	Very low	172 Å²	172	158.9 Å²	158.9	80%	0.804	82%	0.817	S	S	*	*			trans	34.3	109.7	147.4	-72.9	177.5	163.4	0	0	118.9
193	E	26.9	Very low	31.6	Very low	190 Å²	190	159.4 Å²	159.4	89%	0.888	82%	0.82	S	S	*	*				-178.2	161.3	111	-99.5	178.7	178.7	0	0	111.2
194	Q	32.5	Very low	31.7	Very low	177 Å²	177	162.2 Å²	162.2	83%	0.827	82%	0.817	S	S	*	*			trans	-44.4	137.2	174.7	-64.8	161.5	-16.7	0	0	112.4
195	D	27	Very low	31.7	Very low	142 Å²	142	158.6 Å²	158.6	76%	0.759	81%	0.807	S	S	*	*				179.5	160.2	104.9	-122	-27.3	0	0	0	114.7	N197	D195-N197 PolarHBondContact O-N 3.35Å
196	Q	35.5	Very low	32.1	Very low	164 Å²	164	158.4 Å²	158.4	77%	0.766	80%	0.798	S	S	*	*			trans	-49.6	121.9	164.7	-58	163.6	2.1	0	0	112.2
197	N	26.5	Very low	32.4	Very low	157 Å²	157	160.9 Å²	160.9	84%	0.84	80%	0.799	S	S	*	*			trans	179.9	124.4	131.6	-101.7	-44.2	0	0	0	111.8	D195 K199	D195-N197 PolarHBondContact O-N 3.35Å; N197-K199 PolarHBondContact O-N 3.41Å
198	R	38.1	Very low	32.9	Very low	249 Å²	249	161.2 Å²	161.2	94%	0.94	80%	0.8	S	S	*	*			trans	-53.6	116.4	162	-75.7	173.5	167.8	172.3	-4.6	109.9
199	K	26.6	Very low	33.5	Very low	194 Å²	194	155.6 Å²	155.6	84%	0.843	79%	0.785	S	S	*	*			trans	-138.4	136.3	150.6	-90.1	-174.8	178.6	174.1	0	109.6	N197	N197-K199 PolarHBondContact O-N 3.41Å
200	L	38.7	Very low	34.3	Very low	175 Å²	175	154.4 Å²	154.4	92%	0.916	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.4	130	-176.3	-78.2	79.6	0	0	0	111.8
201	D	27.1	Very low	34.8	Very low	154 Å²	154	155 Å²	155	82%	0.824	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-82	151.7	161.4	-74.6	-36.1	0	0	0	111.3
202	P	34	Very low	35.7	Very low	115 Å²	115	152.7 Å²	152.7	75%	0.747	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.1	-170.9	-3.1	20.9	0	0	0	111.4	I204	P202-I204 PolarHBondContact O-N 3.23Å; P202-I204 VanDerWaalsContact O-N 3.09Å
203	C	25.4	Very low	36.3	Very low	122 Å²	122	150.8 Å²	150.8	82%	0.824	75%	0.75	S	S	*	*			trans	-62.1	107.4	168.6	-175.7	0	0	0	0	109.9	S205	C203-S205 PolarHBondContact O-N 3.46Å; C203-S205 VanDerWaalsContact O-N 3.08Å
204	I	32	Very low	37.5	Very low	128 Å²	128	143.9 Å²	143.9	66%	0.656	72%	0.723	S	S	*	*			trans	-71.2	100.7	163.4	-59	174.7	0	0	0	106.7	P202 W206	P202-I204 PolarHBondContact O-N 3.23Å; P202-I204 VanDerWaalsContact O-N 3.09Å; I204-W206 HydrophobicContact CG2-CG 4.47Å; I204-W206 PolarHBondContact O-N 3.42Å; I204-W206 VanDerWaalsContact O-N 3.09Å
205	S	29.5	Very low	38.7	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	71%	0.711	S	S	*	*			trans	-73.4	91.1	170	167.5	0	0	0	0	109.1	C203 K207	C203-S205 PolarHBondContact O-N 3.46Å; C203-S205 VanDerWaalsContact O-N 3.08Å; S205-K207 PolarHBondContact O-N 2.86Å
206	W	35.4	Very low	39.8	Very low	191 Å²	191	140.3 Å²	140.3	72%	0.723	70%	0.698	S	S	*	*			trans	-64.4	120.3	161.9	-65.9	80.8	0	0	0	108.4	I204	I204-W206 HydrophobicContact CG2-CG 4.47Å; I204-W206 PolarHBondContact O-N 3.42Å; I204-W206 VanDerWaalsContact O-N 3.09Å
207	K	38.7	Very low	40.6	Very low	176 Å²	176	137.1 Å²	137.1	77%	0.765	68%	0.683	S	S	*	*			trans	-93.2	132.6	165.9	-88.5	-173.3	173.6	-177.8	0	108.4	S205	S205-K207 PolarHBondContact O-N 2.86Å
208	D	37.8	Very low	41.4	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	68%	0.676	S	S	*	*	S	Bend	trans	100.7	129.9	162	-53.6	-32.6	0	0	0	118
209	E	40.6	Very low	42.1	Very low	128 Å²	128	130.8 Å²	130.8	60%	0.598	66%	0.658	S	S	*	*			trans	72.4	101	177.7	-52.5	-137.8	165.5	0	0	119.4	D211	E209-D211 VanDerWaalsContact C-N 3.35Å
210	P	56.6	Low	43.2	Very low	107 Å²	107	125.1 Å²	125.1	70%	0.695	64%	0.64	S	S	*	*	H	α-helix	trans	-73	-23	176.7	29.4	-33	0	0	0	113.7	S214	P210-S214 WeakPolarHBondContact O-CB 3.45Å; P210-S214 PolarHBondContact O-N 3.31Å; P210-S214 PolarHBondContact O-OG 3.46Å
211	D	51.3	Low	44	Very low	120 Å²	120	122.6 Å²	122.6	64%	0.642	63%	0.631	S	S	*	*	H	α-helix	trans	-73.4	-44.2	-176.4	-82.1	-11.4	0	0	0	111.9	E209 R213 S214 W215	E209-D211 VanDerWaalsContact C-N 3.35Å; D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 3.21Å; D211-S214 PolarHBondContact O-N 2.88Å; D211-S214 PolarHBondContact O-OG 2.96Å; D211-W215 WeakPolarHBondContact O-CB 3.48Å; D211-W215 PolarHBondContact O-N 3.4Å
212	D	49.8	Very low	45.2	Very low	99 Å²	99	120.3 Å²	120.3	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-33	177.2	-71.7	-12.6	0	0	0	112.6	L216	D212-L216 WeakPolarHBondContact O-CB 3.38Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 2.86Å
213	R	52.6	Low	46.3	Very low	131 Å²	131	120 Å²	120	49%	0.494	60%	0.604	S	S	.	*	H	α-helix	trans	-70.5	-43.5	176	-148.3	179.3	-168.5	167.3	5.4	111.3	D211 W215 E217	D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 3.21Å; R213-W215 VanDerWaalsContact C-N 3.34Å; R213-E217 VanDerWaalsContact O-CB 3.23Å; R213-E217 WeakPolarHBondContact O-CB 3.22Å; R213-E217 VanDerWaalsContact O-CG 3.23Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 2.85Å
214	S	50.8	Low	48.1	Very low	46 Å²	46	115.9 Å²	115.9	32%	0.322	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-38	173.8	75.8	0	0	0	0	111.7	P210 D211 E217 H218	P210-S214 WeakPolarHBondContact O-CB 3.45Å; P210-S214 PolarHBondContact O-N 3.31Å; P210-S214 PolarHBondContact O-OG 3.46Å; D211-S214 PolarHBondContact O-N 2.88Å; D211-S214 PolarHBondContact O-OG 2.96Å; S214-E217 PolarHBondContact O-N 2.71Å; S214-H218 WeakPolarHBondContact O-CB 3.46Å; S214-H218 PolarHBondContact O-CD2 3.1Å; S214-H218 PolarHBondContact O-N 2.9Å
215	W	59.4	Low	49.5	Very low	153 Å²	153	116.4 Å²	116.4	58%	0.58	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-46.8	176.5	-174.6	91.1	0	0	0	111.4	D211 R213 H218 H219	D211-W215 WeakPolarHBondContact O-CB 3.48Å; D211-W215 PolarHBondContact O-N 3.4Å; R213-W215 VanDerWaalsContact C-N 3.34Å; W215-H218 PolarHBondContact O-N 3.48Å; W215-H219 AromaticContact CD1-CE1 3.61Å; W215-H219 AromaticContact CD1-ND1 3.71Å; W215-H219 AromaticContact CE2-ND1 3.95Å; W215-H219 AromaticContact CG-ND1 3.85Å; W215-H219 AromaticContact NE1-CE1 3.61Å; W215-H219 AromaticContact NE1-ND1 3.74Å; W215-H219 WeakPolarHBondContact O-CB 3.47Å; W215-H219 PolarHBondContact O-N 3.44Å; W215-H219 PolarHBondContact O-ND1 3.41Å
216	L	48.9	Very low	50.6	Low	90 Å²	90	115.3 Å²	115.3	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-42	174.3	-80.6	161.2	0	0	0	111.9	D212 H218 H219 V220	D212-L216 WeakPolarHBondContact O-CB 3.38Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 2.86Å; L216-H218 VanDerWaalsContact C-N 3.29Å; L216-H218 PolarHBondContact O-N 3.28Å; L216-H219 PolarHBondContact O-N 3.4Å; L216-V220 HydrophobicContact CB-CG2 4.42Å; L216-V220 HydrophobicContact CD2-CG2 3.76Å; L216-V220 WeakPolarHBondContact O-CB 3.34Å; L216-V220 WeakPolarHBondContact O-CG2 3.36Å; L216-V220 PolarHBondContact O-N 3.36Å
217	E	51.8	Low	50.8	Low	97 Å²	97	111.1 Å²	111.1	45%	0.453	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-32.2	175.7	-75.9	173.8	-176.5	0	0	112.4	R213 S214	R213-E217 VanDerWaalsContact O-CB 3.23Å; R213-E217 WeakPolarHBondContact O-CB 3.22Å; R213-E217 VanDerWaalsContact O-CG 3.23Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 2.85Å; S214-E217 PolarHBondContact O-N 2.71Å
218	H	45.2	Very low	51	Low	151 Å²	151	113.3 Å²	113.3	70%	0.699	56%	0.564	S	S	*	*	H	α-helix	trans	-79.1	-26.9	175.9	-82.5	-61.4	0	0	0	114.2	S214 W215 L216	S214-H218 WeakPolarHBondContact O-CB 3.46Å; S214-H218 PolarHBondContact O-CD2 3.1Å; S214-H218 PolarHBondContact O-N 2.9Å; W215-H218 PolarHBondContact O-N 3.48Å; L216-H218 VanDerWaalsContact C-N 3.29Å; L216-H218 PolarHBondContact O-N 3.28Å
219	H	51.1	Low	51.3	Low	123 Å²	123	111 Å²	111	57%	0.569	56%	0.558	S	S	*	*	H	α-helix	trans	-112.7	-9.9	-173	-62.7	84.3	0	0	0	114.5	W215 L216	W215-H219 AromaticContact CD1-CE1 3.61Å; W215-H219 AromaticContact CD1-ND1 3.71Å; W215-H219 AromaticContact CE2-ND1 3.95Å; W215-H219 AromaticContact CG-ND1 3.85Å; W215-H219 AromaticContact NE1-CE1 3.61Å; W215-H219 AromaticContact NE1-ND1 3.74Å; W215-H219 WeakPolarHBondContact O-CB 3.47Å; W215-H219 PolarHBondContact O-N 3.44Å; W215-H219 PolarHBondContact O-ND1 3.41Å; L216-H219 PolarHBondContact O-N 3.4Å
220	V	51	Low	51.7	Low	75 Å²	75	107.7 Å²	107.7	46%	0.455	55%	0.549	S	S	.	.	S	Bend	trans	-99.2	112.5	176.4	-179.7	0	0	0	0	110.4	L216 H222	L216-V220 HydrophobicContact CB-CG2 4.42Å; L216-V220 HydrophobicContact CD2-CG2 3.76Å; L216-V220 WeakPolarHBondContact O-CB 3.34Å; L216-V220 WeakPolarHBondContact O-CG2 3.36Å; L216-V220 PolarHBondContact O-N 3.36Å; V220-H222 PolarHBondContact O-N 2.77Å; V220-H222 VanDerWaalsContact O-N 3.1Å; V220-H222 PolarHBondContact O-ND1 3.36Å
221	V	54.1	Low	51.4	Low	121 Å²	121	111.3 Å²	111.3	73%	0.733	56%	0.556	S	S	*	*			trans	-64.2	111.6	170.8	-179.2	0	0	0	0	108.7
222	H	54.2	Low	51.1	Low	106 Å²	106	111.7 Å²	111.7	49%	0.491	55%	0.552	S	S	.	*			trans	-68.6	143.4	177.2	-71.9	48.7	0	0	0	110.4	V220 Y224	V220-H222 PolarHBondContact O-N 2.77Å; V220-H222 VanDerWaalsContact O-N 3.1Å; V220-H222 PolarHBondContact O-ND1 3.36Å; H222-Y224 PolarHBondContact O-N 3.49Å
223	Q	56.3	Low	51	Low	109 Å²	109	111.3 Å²	111.3	51%	0.509	56%	0.555	S	S	.	*			trans	-65.2	102.5	175.7	-69.9	-174	2	0	0	109.7	W225 T226	Q223-W225 HydrophobicContact CB-CD2 4.05Å; Q223-W225 HydrophobicContact CB-CH2 4.25Å; Q223-W225 HydrophobicContact CB-CZ2 3.68Å; Q223-W225 HydrophobicContact CG-CH2 3.99Å; Q223-W225 HydrophobicContact CG-CZ2 3.39Å; Q223-W225 PolarHBondContact O-N 2.91Å; Q223-T226 HydrophobicContact CB-CG2 4.15Å; Q223-T226 PolarHBondContact O-N 3.01Å; Q223-T226 PolarHBondContact O-OG1 3.38Å
224	Y	62.1	Low	51	Low	36 Å²	36	111.6 Å²	111.6	14%	0.141	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-13.7	-173.9	64.8	-95.6	0	0	0	114.2	H222 T226 Q269 E273 F285	H222-Y224 PolarHBondContact O-N 3.49Å; Y224-T226 VanDerWaalsContact C-N 3.32Å; Y224-Q269 HydrophobicContact CD1-CG 4.2Å; Y224-Q269 HydrophobicContact CE1-CG 4.45Å; Y224-E273 PolarHBondContact OH-OE1 2.97Å; Y224-F285 AromaticContact CD2-CD1 3.79Å; Y224-F285 HydrophobicContact CD2-CD1 3.79Å; Y224-F285 HydrophobicContact CD2-CE1 4.16Å; Y224-F285 HydrophobicContact CD2-CG 4.27Å; Y224-F285 HydrophobicContact CE2-CB 3.81Å; Y224-F285 AromaticContact CE2-CD1 3.7Å; Y224-F285 HydrophobicContact CE2-CD1 3.7Å; Y224-F285 AromaticContact CE2-CG 3.88Å; Y224-F285 HydrophobicContact CE2-CG 3.88Å
225	W	63.4	Low	51.3	Low	138 Å²	138	111 Å²	111	52%	0.523	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-0.8	172.7	56	82.7	0	0	0	113.9	Q223 F285	Q223-W225 HydrophobicContact CB-CD2 4.05Å; Q223-W225 HydrophobicContact CB-CH2 4.25Å; Q223-W225 HydrophobicContact CB-CZ2 3.68Å; Q223-W225 HydrophobicContact CG-CH2 3.99Å; Q223-W225 HydrophobicContact CG-CZ2 3.39Å; Q223-W225 PolarHBondContact O-N 2.91Å; W225-F285 HydrophobicContact CB-CD2 3.9Å; W225-F285 HydrophobicContact CB-CE2 4.13Å; W225-F285 HydrophobicContact CB-CG 4.48Å
226	T	51.9	Low	51	Low	72 Å²	72	112.1 Å²	112.1	44%	0.442	57%	0.574	S	S	.	*	S	Bend	trans	-98.9	131	174.5	57.5	0	0	0	0	111.2	Q223 Y224 R228	Q223-T226 HydrophobicContact CB-CG2 4.15Å; Q223-T226 PolarHBondContact O-N 3.01Å; Q223-T226 PolarHBondContact O-OG1 3.38Å; Y224-T226 VanDerWaalsContact C-N 3.32Å; T226-R228 PolarHBondContact O-N 2.87Å
227	A	39.6	Very low	51.4	Low	103 Å²	103	114.4 Å²	114.4	85%	0.851	58%	0.582	S	S	*	*			trans	-75.3	45.7	-166.9	0	0	0	0	0	115.4
228	R	42.8	Very low	51.6	Low	222 Å²	222	115.1 Å²	115.1	84%	0.838	59%	0.589	S	S	*	*			trans	-106.5	112.9	171.3	-73.4	-169.7	-179.8	-175.3	2.5	110.4	T226 S230	T226-R228 PolarHBondContact O-N 2.87Å; R228-S230 PolarHBondContact O-N 3.42Å
229	P	44	Very low	52.1	Low	104 Å²	104	115.4 Å²	115.4	68%	0.675	59%	0.59	S	S	*	*			trans	-78.6	101.5	174.5	30.3	-29.7	0	0	0	108.8
230	S	48.8	Very low	52.6	Low	59 Å²	59	111.5 Å²	111.5	41%	0.413	58%	0.576	S	S	.	*			trans	-95.6	105.6	162.2	51.4	0	0	0	0	109.1	R228 F232	R228-S230 PolarHBondContact O-N 3.42Å; S230-F232 PolarHBondContact O-N 3.37Å
231	Q	50.2	Low	53.6	Low	183 Å²	183	109.3 Å²	109.3	86%	0.855	56%	0.562	S	S	*	*			trans	-75	101.4	169.5	-78.7	177.7	-11.8	0	0	108.7
232	F	45.8	Very low	54.4	Low	127 Å²	127	107 Å²	107	56%	0.557	55%	0.545	S	S	*	.			trans	-122.3	120.5	164.5	-71.4	-72.3	0	0	0	110.4	S230 H234	S230-F232 PolarHBondContact O-N 3.37Å; F232-H234 PolarHBondContact O-N 2.89Å
233	P	48.2	Very low	55.2	Low	91 Å²	91	102.3 Å²	102.3	59%	0.591	53%	0.525	S	S	*	.			trans	-67.5	120.2	169.5	26	-29	0	0	0	109	S235	P233-S235 PolarHBondContact O-N 3.13Å
234	H	51.2	Low	55.8	Low	138 Å²	138	99.6 Å²	99.6	64%	0.639	52%	0.521	S	S	*	.	S	Bend	trans	-67.7	-18.1	178.1	-86.2	55.8	0	0	0	112.8	F232	F232-H234 PolarHBondContact O-N 2.89Å
235	S	57.6	Low	56.1	Low	34 Å²	34	100.6 Å²	100.6	24%	0.238	53%	0.531	C	S	.	.			trans	-163.3	170.8	171.2	79.4	0	0	0	0	110.7	P233 H237 S240 N241	P233-S235 PolarHBondContact O-N 3.13Å; S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact OG-N 2.89Å; S235-S240 WeakPolarHBondContact OG-CB 3.36Å; S235-S240 PolarHBondContact OG-OG 3.23Å; S235-S240 VanDerWaalsContact OG-OG 3.09Å; S235-N241 PolarHBondContact O-ND2 3.37Å
236	L	54	Low	56.6	Low	175 Å²	175	99.2 Å²	99.2	92%	0.916	53%	0.526	S	S	*	.	S	Bend	trans	-87.3	2.7	172.7	-71.7	159.4	0	0	0	112.9
237	H	57.3	Low	57.6	Low	138 Å²	138	98 Å²	98	64%	0.639	52%	0.517	S	S	*	.			trans	-78.6	133.5	-177	-77	-75.3	0	0	0	111.6	S235 H239 S240 N241	S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact OG-N 2.89Å; H237-H239 PolarHBondContact O-N 3.42Å; H237-S240 PolarHBondContact O-N 3.16Å; H237-N241 PolarHBondContact O-N 3.06Å
238	L	54.3	Low	59.2	Low	113 Å²	113	99.8 Å²	99.8	59%	0.592	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-52.2	-41.5	-178.8	-175.5	71.2	0	0	0	112.9	S240 N241 L242 V245	L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 2.92Å; L238-N241 PolarHBondContact O-N 3.47Å; L238-L242 PolarHBondContact O-N 3.28Å; L238-V245 HydrophobicContact CD1-CG1 4.45Å; L238-V245 HydrophobicContact CD1-CG2 3.97Å
239	H	56.4	Low	60.5	Low	156 Å²	156	94 Å²	94	72%	0.722	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.3	-178.6	-63.7	-69.6	0	0	0	113.7	H237 H304	H237-H239 PolarHBondContact O-N 3.42Å; H239-H304 WeakPolarHBondContact O-CB 3.13Å
240	S	62.3	Low	61.9	Low	41 Å²	41	90.8 Å²	90.8	29%	0.287	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-87.1	-16.2	179	-55.8	0	0	0	0	113.3	S235 H237 L238 T303	S235-S240 WeakPolarHBondContact OG-CB 3.36Å; S235-S240 PolarHBondContact OG-OG 3.23Å; S235-S240 VanDerWaalsContact OG-OG 3.09Å; H237-S240 PolarHBondContact O-N 3.16Å; L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 2.92Å; S240-T303 CarbonylContact O-C 3.51Å; S240-T303 VanDerWaalsContact O-C 3.3Å; S240-T303 WeakPolarHBondContact O-CB 3.07Å; S240-T303 PolarHBondContact O-OG1 3.01Å
241	N	70.4	Confident	63.1	Low	29 Å²	29	95.5 Å²	95.5	16%	0.155	48%	0.476	C	S	.	.			trans	-121.8	25.6	-177	-67.2	-26.7	0	0	0	112.9	S235 H237 L238 A243 A244 V245 T303	S235-N241 PolarHBondContact O-ND2 3.37Å; H237-N241 PolarHBondContact O-N 3.06Å; L238-N241 PolarHBondContact O-N 3.47Å; N241-A243 PolarHBondContact O-N 3.37Å; N241-A243 VanDerWaalsContact O-N 3.11Å; N241-A244 HydrophobicContact CB-CB 4.49Å; N241-A244 PolarHBondContact O-N 3.27Å; N241-V245 WeakPolarHBondContact O-CG2 3.39Å; N241-V245 PolarHBondContact O-N 3Å; N241-T303 CarbonylContact C-O 3.3Å; N241-T303 VanDerWaalsContact C-O 3.3Å; N241-T303 WeakPolarHBondContact CA-O 3.15Å
242	L	72	Confident	64	Low	73 Å²	73	91.3 Å²	91.3	38%	0.382	47%	0.467	S	S	.	.	H	α-helix	trans	-52.4	-35.9	-177.5	-174.7	68.2	0	0	0	112.7	L238 V245 W246 T303	L238-L242 PolarHBondContact O-N 3.28Å; L242-V245 PolarHBondContact O-N 2.86Å; L242-W246 VanDerWaalsContact O-CB 3.3Å; L242-W246 WeakPolarHBondContact O-CB 3.28Å; L242-W246 PolarHBondContact O-N 3.31Å; L242-T303 PolarHBondContact N-O 2.81Å; L242-T303 VanDerWaalsContact N-O 3.17Å
243	A	69.8	Low	65.5	Low	7 Å²	7	88.2 Å²	88.2	6%	0.058	46%	0.461	C	S	.	.	H	α-helix	trans	-63.2	-44.2	177.4	0	0	0	0	0	112.5	N241 W246 D247 I301 V302 T303	N241-A243 PolarHBondContact O-N 3.37Å; N241-A243 VanDerWaalsContact O-N 3.11Å; A243-W246 PolarHBondContact O-N 3.22Å; A243-D247 PolarHBondContact O-N 3.19Å; A243-I301 HydrophobicContact CB-CD1 4Å; A243-I301 HydrophobicContact CB-CG1 4.11Å; A243-V302 VanDerWaalsContact CB-O 3.32Å; A243-V302 WeakPolarHBondContact CB-O 3.5Å; A243-T303 WeakPolarHBondContact CB-O 3.33Å; A243-T303 PolarHBondContact N-O 3.12Å
244	A	69.4	Low	66.7	Low	53 Å²	53	88.5 Å²	88.5	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-68.4	-36.2	177.5	0	0	0	0	0	112	N241 W246 Q248	N241-A244 HydrophobicContact CB-CB 4.49Å; N241-A244 PolarHBondContact O-N 3.27Å; A244-W246 VanDerWaalsContact C-N 3.35Å; A244-Q248 WeakPolarHBondContact O-CB 3.41Å; A244-Q248 WeakPolarHBondContact O-CG 3.46Å; A244-Q248 PolarHBondContact O-N 3.39Å
245	V	69.5	Low	67.5	Low	56 Å²	56	87.9 Å²	87.9	34%	0.339	47%	0.466	S	S	.	.	H	α-helix	trans	-66.7	-38.5	174.9	176.7	0	0	0	0	111	L238 N241 L242 Q248 H249	L238-V245 HydrophobicContact CD1-CG1 4.45Å; L238-V245 HydrophobicContact CD1-CG2 3.97Å; N241-V245 WeakPolarHBondContact O-CG2 3.39Å; N241-V245 PolarHBondContact O-N 3Å; L242-V245 PolarHBondContact O-N 2.86Å; V245-Q248 PolarHBondContact O-N 3.4Å; V245-H249 PolarHBondContact O-N 2.7Å
246	W	72.8	Confident	68.3	Low	110 Å²	110	94.3 Å²	94.3	42%	0.417	50%	0.497	S	S	.	.	H	α-helix	trans	-69.5	-42.1	176.8	-174.9	-103.5	0	0	0	112.5	L242 A243 A244 Q248 H249 L250 T306	L242-W246 VanDerWaalsContact O-CB 3.3Å; L242-W246 WeakPolarHBondContact O-CB 3.28Å; L242-W246 PolarHBondContact O-N 3.31Å; A243-W246 PolarHBondContact O-N 3.22Å; A244-W246 VanDerWaalsContact C-N 3.35Å; W246-Q248 VanDerWaalsContact C-N 3.31Å; W246-Q248 PolarHBondContact O-N 3Å; W246-H249 AromaticContact CZ3-CD2 3.85Å; W246-H249 WeakPolarHBondContact O-CA 3.25Å; W246-H249 WeakPolarHBondContact O-CB 3.49Å; W246-H249 PolarHBondContact O-N 2.96Å; W246-H249 VanDerWaalsContact O-N 3.08Å; W246-L250 PolarHBondContact O-N 2.84Å; W246-T306 HydrophobicContact CD2-CG2 4.38Å; W246-T306 HydrophobicContact CG-CG2 4.08Å
247	D	74.1	Confident	69.1	Low	46 Å²	46	88.2 Å²	88.2	25%	0.246	46%	0.462	C	S	.	.	H	α-helix	trans	-63.7	-37.2	174.7	-75.1	-24	0	0	0	111.5	A243 H249 L250 Y251	A243-D247 PolarHBondContact O-N 3.19Å; D247-H249 VanDerWaalsContact C-N 3.35Å; D247-L250 PolarHBondContact O-N 2.88Å; D247-Y251 WeakPolarHBondContact O-CB 3.3Å; D247-Y251 PolarHBondContact O-N 3.38Å
248	Q	72.6	Confident	69.9	Low	140 Å²	140	87 Å²	87	65%	0.654	46%	0.464	S	S	*	.	H	α-helix	trans	-65.4	-35.5	170.6	-76.2	179.6	-2.5	0	0	112.8	A244 V245 W246 S252	A244-Q248 WeakPolarHBondContact O-CB 3.41Å; A244-Q248 WeakPolarHBondContact O-CG 3.46Å; A244-Q248 PolarHBondContact O-N 3.39Å; V245-Q248 PolarHBondContact O-N 3.4Å; W246-Q248 VanDerWaalsContact C-N 3.31Å; W246-Q248 PolarHBondContact O-N 3Å; Q248-S252 WeakPolarHBondContact O-CB 3.27Å; Q248-S252 PolarHBondContact O-N 3.3Å; Q248-S252 VanDerWaalsContact O-N 3.08Å; Q248-S252 PolarHBondContact O-OG 3Å
249	H	70.6	Confident	70.5	Confident	100 Å²	100	85.4 Å²	85.4	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-68.1	-41.7	175.3	-173.2	55	0	0	0	112.1	V245 W246 D247 S252 S253	V245-H249 PolarHBondContact O-N 2.7Å; W246-H249 AromaticContact CZ3-CD2 3.85Å; W246-H249 WeakPolarHBondContact O-CA 3.25Å; W246-H249 WeakPolarHBondContact O-CB 3.49Å; W246-H249 PolarHBondContact O-N 2.96Å; W246-H249 VanDerWaalsContact O-N 3.08Å; D247-H249 VanDerWaalsContact C-N 3.35Å; H249-S252 WeakPolarHBondContact CA-OG 3.4Å; H249-S252 PolarHBondContact O-N 3.34Å; H249-S252 PolarHBondContact O-OG 3.32Å; H249-S253 WeakPolarHBondContact O-CB 3.18Å; H249-S253 PolarHBondContact O-N 3.28Å; H249-S253 PolarHBondContact O-OG 3.36Å
250	L	72.4	Confident	71	Confident	38 Å²	38	82.9 Å²	82.9	20%	0.199	45%	0.452	C	S	.	.	H	α-helix	trans	-63.4	-42.8	174.4	-74.9	168.5	0	0	0	111.6	W246 D247 S252 S253 D254 Y257	W246-L250 PolarHBondContact O-N 2.84Å; D247-L250 PolarHBondContact O-N 2.88Å; L250-S252 VanDerWaalsContact C-N 3.26Å; L250-S252 PolarHBondContact O-N 2.83Å; L250-S253 WeakPolarHBondContact CA-OG 3.36Å; L250-S253 PolarHBondContact O-N 3.34Å; L250-S253 PolarHBondContact O-OG 3.27Å; L250-D254 PolarHBondContact O-N 2.96Å; L250-Y257 HydrophobicContact CB-CD1 4Å; L250-Y257 HydrophobicContact CB-CD2 4.33Å; L250-Y257 HydrophobicContact CB-CE1 3.81Å; L250-Y257 HydrophobicContact CB-CE2 4.18Å; L250-Y257 HydrophobicContact CB-CG 4.25Å; L250-Y257 HydrophobicContact CD1-CE1 4.46Å; L250-Y257 HydrophobicContact CD1-CE2 4.07Å
251	Y	73.5	Confident	71.2	Confident	158 Å²	158	87 Å²	87	62%	0.62	47%	0.471	S	S	*	.	H	α-helix	trans	-63.9	-29.6	176.9	-157.8	-93.9	0	0	0	113.3	D247 Y257	D247-Y251 WeakPolarHBondContact O-CB 3.3Å; D247-Y251 PolarHBondContact O-N 3.38Å; Y251-Y257 HydrophobicContact CD2-CD1 4.2Å
252	S	70.5	Confident	71.4	Confident	94 Å²	94	88.1 Å²	88.1	66%	0.657	47%	0.473	S	S	*	.	H	α-helix	trans	-88.9	-21.5	178.1	53.4	0	0	0	0	114.2	Q248 H249 L250	Q248-S252 WeakPolarHBondContact O-CB 3.27Å; Q248-S252 PolarHBondContact O-N 3.3Å; Q248-S252 VanDerWaalsContact O-N 3.08Å; Q248-S252 PolarHBondContact O-OG 3Å; H249-S252 WeakPolarHBondContact CA-OG 3.4Å; H249-S252 PolarHBondContact O-N 3.34Å; H249-S252 PolarHBondContact O-OG 3.32Å; L250-S252 VanDerWaalsContact C-N 3.26Å; L250-S252 PolarHBondContact O-N 2.83Å
253	S	75.9	Confident	71.7	Confident	62 Å²	62	86.7 Å²	86.7	43%	0.434	47%	0.468	S	S	.	.	H	α-helix	trans	-91.1	-33.8	179.1	48.3	0	0	0	0	113.2	H249 L250	H249-S253 WeakPolarHBondContact O-CB 3.18Å; H249-S253 PolarHBondContact O-N 3.28Å; H249-S253 PolarHBondContact O-OG 3.36Å; L250-S253 WeakPolarHBondContact CA-OG 3.36Å; L250-S253 PolarHBondContact O-N 3.34Å; L250-S253 PolarHBondContact O-OG 3.27Å
254	D	74.2	Confident	72.1	Confident	98 Å²	98	89.8 Å²	89.8	52%	0.524	48%	0.483	S	S	.	.			trans	-120.5	110.4	177.9	-91.2	-34.9	0	0	0	112.3	L250 L256 Y257	L250-D254 PolarHBondContact O-N 2.96Å; D254-L256 PolarHBondContact O-N 3.39Å; D254-L256 VanDerWaalsContact O-N 3.11Å; D254-Y257 VanDerWaalsContact O-CB 3.31Å; D254-Y257 WeakPolarHBondContact O-CB 3.38Å; D254-Y257 PolarHBondContact O-N 3.11Å; D254-Y257 VanDerWaalsContact O-N 3.1Å
255	P	67.6	Low	72.7	Confident	125 Å²	125	87.4 Å²	87.4	81%	0.812	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.1	-178	28.3	-34.2	0	0	0	114.5
256	L	74.6	Confident	73.3	Confident	169 Å²	169	87 Å²	87	89%	0.885	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	6.1	174.3	-67.6	172.3	0	0	0	112.7	D254 V258	D254-L256 PolarHBondContact O-N 3.39Å; D254-L256 VanDerWaalsContact O-N 3.11Å; L256-V258 PolarHBondContact O-N 3.22Å
257	Y	72	Confident	73.9	Confident	47 Å²	47	83.8 Å²	83.8	18%	0.184	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-68.5	119	179.6	-178.7	-106.9	0	0	0	111	L250 Y251 D254 P259	L250-Y257 HydrophobicContact CB-CD1 4Å; L250-Y257 HydrophobicContact CB-CD2 4.33Å; L250-Y257 HydrophobicContact CB-CE1 3.81Å; L250-Y257 HydrophobicContact CB-CE2 4.18Å; L250-Y257 HydrophobicContact CB-CG 4.25Å; L250-Y257 HydrophobicContact CD1-CE1 4.46Å; L250-Y257 HydrophobicContact CD1-CE2 4.07Å; Y251-Y257 HydrophobicContact CD2-CD1 4.2Å; D254-Y257 VanDerWaalsContact O-CB 3.31Å; D254-Y257 WeakPolarHBondContact O-CB 3.38Å; D254-Y257 PolarHBondContact O-N 3.11Å; D254-Y257 VanDerWaalsContact O-N 3.1Å; Y257-P259 HydrophobicContact CE1-CB 4.37Å
258	V	72.9	Confident	74.3	Confident	113 Å²	113	85.1 Å²	85.1	69%	0.685	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-103.1	124	169.3	168.8	0	0	0	0	107.6	L256 D260	L256-V258 PolarHBondContact O-N 3.22Å; V258-D260 PolarHBondContact O-N 3.07Å
259	P	66.8	Low	74.9	Confident	78 Å²	78	80 Å²	80	51%	0.506	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-67.8	129.6	175.9	25.9	-30.8	0	0	0	110.4	Y257	Y257-P259 HydrophobicContact CE1-CB 4.37Å
260	D	67.6	Low	75.7	Confident	103 Å²	103	75.2 Å²	75.2	55%	0.551	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-69.1	146.4	173	-61	-45.7	0	0	0	110.9	V258 R262	V258-D260 PolarHBondContact O-N 3.07Å; D260-R262 HydrophobicContact CB-CG 4.1Å; D260-R262 PolarHBondContact O-N 2.89Å; D260-R262 VanDerWaalsContact O-N 3.09Å; D260-R262 IonicContact OD2-CZ 3.69Å; D260-R262 IonicContact OD2-NE 3.73Å; D260-R262 IonicContact OD2-NH2 3.72Å; D260-R262 PolarHBondContact OD2-NH2 3.08Å
261	D	67.1	Low	76.4	Confident	129 Å²	129	73.4 Å²	73.4	69%	0.69	40%	0.404	S	S	*	.			trans	-72.4	101.1	171.9	-166.3	4.7	0	0	0	109.9	N299	D261-N299 PolarHBondContact O-ND2 3.37Å
262	R	74.4	Confident	77	Confident	52 Å²	52	70.4 Å²	70.4	20%	0.196	39%	0.392	C	S	.	.			trans	-115.7	138	-175.6	-64.5	177.4	-173.8	160.7	7.7	110.4	D260 I301	D260-R262 HydrophobicContact CB-CG 4.1Å; D260-R262 PolarHBondContact O-N 2.89Å; D260-R262 VanDerWaalsContact O-N 3.09Å; D260-R262 IonicContact OD2-CZ 3.69Å; D260-R262 IonicContact OD2-NE 3.73Å; D260-R262 IonicContact OD2-NH2 3.72Å; D260-R262 PolarHBondContact OD2-NH2 3.08Å; R262-I301 HydrophobicContact CB-CB 4.34Å; R262-I301 HydrophobicContact CB-CG2 4.08Å
263	V	78.3	Confident	77.9	Confident	43 Å²	43	66.2 Å²	66.2	26%	0.261	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.7	178.3	-174	0	0	0	0	109	V265 F285 N299 I301	V263-V265 HydrophobicContact CG1-CG2 4.21Å; V263-F285 HydrophobicContact CG1-CE1 4.37Å; V263-F285 HydrophobicContact CG1-CZ 4.34Å; V263-F285 HydrophobicContact CG2-CZ 4.37Å; V263-N299 PolarHBondContact N-O 3.26Å; V263-I301 PolarHBondContact O-N 3.16Å
264	L	77.3	Confident	78.5	Confident	72 Å²	72	63.4 Å²	63.4	38%	0.377	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.5	175.6	-174.2	68.3	0	0	0	109.7	I301 T303	L264-I301 HydrophobicContact CB-CG2 4.37Å; L264-I301 HydrophobicContact CD1-CG2 3.92Å; L264-T303 HydrophobicContact CD1-CG2 3.89Å; L264-T303 HydrophobicContact CD2-CG2 4.4Å
265	V	82.4	Confident	79.2	Confident	3 Å²	3	59 Å²	59	2%	0.018	32%	0.318	C	S	.	.			trans	-123.1	144	-179.5	-176.5	0	0	0	0	108.7	V263 Q269 V270 I286 I300 I301 V302	V263-V265 HydrophobicContact CG1-CG2 4.21Å; V265-Q269 HydrophobicContact CG1-CB 3.64Å; V265-V270 HydrophobicContact CG1-CG2 3.89Å; V265-I286 HydrophobicContact CG1-CD1 4.38Å; V265-I300 HydrophobicContact CB-CG2 4.33Å; V265-I300 HydrophobicContact CG2-CG2 4.07Å; V265-I301 PolarHBondContact N-O 3.49Å; V265-V302 WeakPolarHBondContact O-CG2 3.5Å
266	T	82.7	Confident	80.3	Confident	46 Å²	46	57 Å²	57	28%	0.282	30%	0.295	S	S	.	.			trans	-79.7	151.4	175.2	65.7	0	0	0	0	111	T268 Q269 V270	T266-T268 PolarHBondContact O-N 2.85Å; T266-T268 PolarHBondContact OG1-OG1 3.25Å; T266-Q269 VanDerWaalsContact N-OE1 3.13Å; T266-Q269 WeakPolarHBondContact O-CB 3.15Å; T266-Q269 PolarHBondContact O-N 3.28Å; T266-Q269 VanDerWaalsContact OG1-CD 3.31Å; T266-Q269 VanDerWaalsContact OG1-CG 3.23Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.24Å; T266-Q269 PolarHBondContact OG1-N 3.22Å; T266-Q269 PolarHBondContact OG1-OE1 2.91Å; T266-V270 WeakPolarHBondContact O-CG2 3.42Å; T266-V270 PolarHBondContact O-N 3.41Å; T266-V270 VanDerWaalsContact O-N 3.1Å
267	E	85	Confident	81.1	Confident	44 Å²	44	49.5 Å²	49.5	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-38.7	177.5	-172.9	-177.5	179	0	0	112.2	Q269 V270 I271 H304 T394 L395	E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3Å; E267-V270 WeakPolarHBondContact O-CB 3.41Å; E267-V270 PolarHBondContact O-N 3.19Å; E267-V270 VanDerWaalsContact O-N 3.12Å; E267-I271 HydrophobicContact CG-CD1 4.18Å; E267-I271 VanDerWaalsContact O-CG1 3.31Å; E267-I271 WeakPolarHBondContact O-CG1 3.38Å; E267-I271 PolarHBondContact O-N 3.07Å; E267-H304 IonicContact OE2-CE1 3.64Å; E267-H304 PolarHBondContact OE2-CE1 3.18Å; E267-H304 IonicContact OE2-NE2 2.86Å; E267-H304 PolarHBondContact OE2-NE2 2.9Å; E267-T394 WeakPolarHBondContact OE1-CA 3.07Å; E267-T394 WeakPolarHBondContact OE1-CB 3.42Å; E267-L395 HydrophobicContact CG-CD1 3.79Å; E267-L395 HydrophobicContact CG-CG 3.81Å; E267-L395 PolarHBondContact OE1-N 3.08Å
268	T	82.1	Confident	81.9	Confident	74 Å²	74	47.5 Å²	47.5	45%	0.454	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-39.9	175.2	52.6	0	0	0	0	112.5	T266 I271 R272	T266-T268 PolarHBondContact O-N 2.85Å; T266-T268 PolarHBondContact OG1-OG1 3.25Å; T268-I271 PolarHBondContact O-N 3.33Å; T268-R272 WeakPolarHBondContact O-CG 3.15Å; T268-R272 PolarHBondContact O-N 2.87Å; T268-R272 VanDerWaalsContact O-N 3.1Å
269	Q	84.6	Confident	82.5	Confident	31 Å²	31	43.6 Å²	43.6	15%	0.145	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-39.5	175	-74.3	167.3	-13.8	0	0	111.7	Y224 V265 T266 E267 I271 R272 E273	Y224-Q269 HydrophobicContact CD1-CG 4.2Å; Y224-Q269 HydrophobicContact CE1-CG 4.45Å; V265-Q269 HydrophobicContact CG1-CB 3.64Å; T266-Q269 VanDerWaalsContact N-OE1 3.13Å; T266-Q269 WeakPolarHBondContact O-CB 3.15Å; T266-Q269 PolarHBondContact O-N 3.28Å; T266-Q269 VanDerWaalsContact OG1-CD 3.31Å; T266-Q269 VanDerWaalsContact OG1-CG 3.23Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.24Å; T266-Q269 PolarHBondContact OG1-N 3.22Å; T266-Q269 PolarHBondContact OG1-OE1 2.91Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 3.34Å; Q269-R272 PolarHBondContact O-N 3.16Å; Q269-E273 PolarHBondContact O-N 3.46Å
270	V	87.1	Confident	83.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-44.7	174.6	-178.6	0	0	0	0	110.6	V265 T266 E267 R272 E273 T274 I286 V302 L314 L395	V265-V270 HydrophobicContact CG1-CG2 3.89Å; T266-V270 WeakPolarHBondContact O-CG2 3.42Å; T266-V270 PolarHBondContact O-N 3.41Å; T266-V270 VanDerWaalsContact O-N 3.1Å; E267-V270 WeakPolarHBondContact O-CB 3.41Å; E267-V270 PolarHBondContact O-N 3.19Å; E267-V270 VanDerWaalsContact O-N 3.12Å; V270-R272 PolarHBondContact O-N 3.43Å; V270-E273 PolarHBondContact O-N 2.9Å; V270-T274 HydrophobicContact CG1-CG2 4.4Å; V270-T274 VanDerWaalsContact O-CG2 3.22Å; V270-T274 WeakPolarHBondContact O-CG2 3.48Å; V270-T274 PolarHBondContact O-N 2.77Å; V270-I286 HydrophobicContact CB-CD1 4.23Å; V270-I286 HydrophobicContact CG1-CD1 4.32Å; V270-I286 HydrophobicContact CG2-CD1 3.94Å; V270-V302 HydrophobicContact CG2-CG2 4.13Å; V270-L314 HydrophobicContact CG1-CD2 3.58Å; V270-L395 HydrophobicContact CB-CD1 4.46Å; V270-L395 HydrophobicContact CB-CD2 4.49Å; V270-L395 HydrophobicContact CG1-CD1 4.06Å; V270-L395 HydrophobicContact CG1-CD2 3.95Å
271	I	87.6	Confident	84.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-47.4	178.1	-63.2	162.6	0	0	0	110.5	E267 T268 Q269 E273 T274 L275 I386 I393 L395 V398	E267-I271 HydrophobicContact CG-CD1 4.18Å; E267-I271 VanDerWaalsContact O-CG1 3.31Å; E267-I271 WeakPolarHBondContact O-CG1 3.38Å; E267-I271 PolarHBondContact O-N 3.07Å; T268-I271 PolarHBondContact O-N 3.33Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 3.34Å; I271-E273 PolarHBondContact O-N 3.37Å; I271-T274 WeakPolarHBondContact CA-OG1 3.4Å; I271-T274 PolarHBondContact O-N 3.2Å; I271-T274 VanDerWaalsContact O-N 3.09Å; I271-T274 PolarHBondContact O-OG1 3.43Å; I271-L275 HydrophobicContact CG2-CD1 4.21Å; I271-L275 HydrophobicContact CG2-CG 4.48Å; I271-L275 WeakPolarHBondContact O-CG 3.15Å; I271-L275 PolarHBondContact O-N 3.32Å; I271-I386 HydrophobicContact CG2-CD1 3.46Å; I271-I386 VanDerWaalsContact CG2-CD1 3.46Å; I271-I393 WeakPolarHBondContact CD1-O 3.34Å; I271-L395 HydrophobicContact CB-CD2 4.38Å; I271-L395 HydrophobicContact CD1-CG 4.35Å; I271-L395 HydrophobicContact CG1-CD2 3.44Å; I271-L395 VanDerWaalsContact CG1-CD2 3.44Å; I271-L395 HydrophobicContact CG1-CG 3.72Å; I271-V398 HydrophobicContact CG2-CG2 3.93Å
272	R	87.1	Confident	84.6	Confident	95 Å²	95	37.3 Å²	37.3	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-44.2	179.3	-65.4	-177.1	77.4	-173.3	5.3	112.6	T268 Q269 V270 T274 L275 W276 E383	T268-R272 WeakPolarHBondContact O-CG 3.15Å; T268-R272 PolarHBondContact O-N 2.87Å; T268-R272 VanDerWaalsContact O-N 3.1Å; Q269-R272 PolarHBondContact O-N 3.16Å; V270-R272 PolarHBondContact O-N 3.43Å; R272-T274 VanDerWaalsContact C-N 3.29Å; R272-T274 PolarHBondContact O-N 2.93Å; R272-L275 PolarHBondContact O-N 3.44Å; R272-W276 HydrophobicContact CB-CH2 4.33Å; R272-W276 HydrophobicContact CB-CZ2 4.27Å; R272-W276 VanDerWaalsContact O-CG 3.28Å; R272-W276 PolarHBondContact O-N 3.15Å; R272-E383 IonicContact CZ-OE1 2.75Å; R272-E383 VanDerWaalsContact CZ-OE1 3.23Å; R272-E383 IonicContact NE-OE1 3.34Å; R272-E383 PolarHBondContact NE-OE1 3.12Å; R272-E383 IonicContact NE-OE2 3.13Å; R272-E383 IonicContact NH2-OE1 3.98Å; R272-E383 PolarHBondContact NH2-OE1 2.91Å
273	E	88.8	Confident	84.9	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-35.9	174.1	-78.2	-94.1	132.8	0	0	112.1	Y224 Q269 V270 I271 W276 L277 L284 F285 I286 F287	Y224-E273 PolarHBondContact OH-OE1 2.97Å; Q269-E273 PolarHBondContact O-N 3.46Å; V270-E273 PolarHBondContact O-N 2.9Å; I271-E273 PolarHBondContact O-N 3.37Å; E273-W276 HydrophobicContact CG-CE3 4.24Å; E273-W276 HydrophobicContact CG-CZ3 4.3Å; E273-W276 PolarHBondContact O-N 2.77Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.38Å; E273-L284 WeakPolarHBondContact OE2-CB 3.34Å; E273-F285 PolarHBondContact OE2-N 3.47Å; E273-I286 HydrophobicContact CB-CB 4.37Å; E273-I286 HydrophobicContact CB-CD1 3.8Å; E273-I286 HydrophobicContact CB-CG1 4.2Å; E273-I286 HydrophobicContact CG-CB 4.49Å; E273-I286 HydrophobicContact CG-CD1 3.84Å; E273-I286 HydrophobicContact CG-CG1 3.97Å; E273-I286 WeakPolarHBondContact OE2-CB 3.36Å; E273-I286 PolarHBondContact OE2-N 3.4Å; E273-F287 HydrophobicContact CB-CE2 4.43Å
274	T	88.2	Confident	85.2	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-39.4	174.5	64.1	0	0	0	0	112.4	V270 I271 R272 L277 L278 F287 L314 I317	V270-T274 HydrophobicContact CG1-CG2 4.4Å; V270-T274 VanDerWaalsContact O-CG2 3.22Å; V270-T274 WeakPolarHBondContact O-CG2 3.48Å; V270-T274 PolarHBondContact O-N 2.77Å; I271-T274 WeakPolarHBondContact CA-OG1 3.4Å; I271-T274 PolarHBondContact O-N 3.2Å; I271-T274 VanDerWaalsContact O-N 3.09Å; I271-T274 PolarHBondContact O-OG1 3.43Å; R272-T274 VanDerWaalsContact C-N 3.29Å; R272-T274 PolarHBondContact O-N 2.93Å; T274-L277 WeakPolarHBondContact O-CB 3.26Å; T274-L277 PolarHBondContact O-N 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.19Å; T274-L278 PolarHBondContact O-N 3.39Å; T274-F287 HydrophobicContact CG2-CE2 3.86Å; T274-F287 HydrophobicContact CG2-CZ 3.8Å; T274-L314 HydrophobicContact CG2-CD2 4.29Å; T274-I317 HydrophobicContact CG2-CD1 3.97Å; T274-I317 HydrophobicContact CG2-CG2 4.13Å
275	L	89.9	Confident	85.5	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-40	176	-66.8	173.2	0	0	0	111.1	I271 R272 L278 S279 L379 I382 E383 I386 V398	I271-L275 HydrophobicContact CG2-CD1 4.21Å; I271-L275 HydrophobicContact CG2-CG 4.48Å; I271-L275 WeakPolarHBondContact O-CG 3.15Å; I271-L275 PolarHBondContact O-N 3.32Å; R272-L275 PolarHBondContact O-N 3.44Å; L275-L278 PolarHBondContact O-N 2.98Å; L275-S279 WeakPolarHBondContact O-CB 3.28Å; L275-S279 PolarHBondContact O-N 2.94Å; L275-S279 PolarHBondContact O-OG 3.42Å; L275-L379 HydrophobicContact CD2-CD2 3.6Å; L275-I382 HydrophobicContact CD1-CB 4.41Å; L275-I382 HydrophobicContact CD1-CG2 4.04Å; L275-I382 HydrophobicContact CD2-CB 4.33Å; L275-I382 HydrophobicContact CD2-CG2 4.21Å; L275-E383 HydrophobicContact CD1-CB 4.17Å; L275-E383 WeakPolarHBondContact CD1-OE2 3.36Å; L275-I386 HydrophobicContact CD1-CD1 3.62Å; L275-V398 HydrophobicContact CD2-CG1 4.43Å
276	W	89.8	Confident	85.6	Confident	84 Å²	84	41.3 Å²	41.3	32%	0.318	20%	0.203	S	C	.	.	H	α-helix	trans	-67	-35.5	173.7	-62.3	-24.9	0	0	0	113	R272 E273 S279 G280 V281 L284	R272-W276 HydrophobicContact CB-CH2 4.33Å; R272-W276 HydrophobicContact CB-CZ2 4.27Å; R272-W276 VanDerWaalsContact O-CG 3.28Å; R272-W276 PolarHBondContact O-N 3.15Å; E273-W276 HydrophobicContact CG-CE3 4.24Å; E273-W276 HydrophobicContact CG-CZ3 4.3Å; E273-W276 PolarHBondContact O-N 2.77Å; W276-S279 WeakPolarHBondContact CA-OG 3.42Å; W276-S279 PolarHBondContact O-N 3.38Å; W276-S279 PolarHBondContact O-OG 2.84Å; W276-G280 PolarHBondContact O-N 3.11Å; W276-V281 HydrophobicContact CB-CB 4.25Å; W276-V281 HydrophobicContact CB-CG2 4.12Å; W276-V281 WeakPolarHBondContact O-CB 3.29Å; W276-V281 WeakPolarHBondContact O-CG2 3.39Å; W276-V281 PolarHBondContact O-N 3.26Å; W276-L284 HydrophobicContact CB-CD1 4.37Å; W276-L284 HydrophobicContact CB-CD2 3.76Å; W276-L284 HydrophobicContact CE3-CD2 4.02Å
277	L	91	Very high	85.8	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-48.4	173.9	-179.6	69.5	0	0	0	110.6	E273 T274 S279 G280 L284 F287 V294 I317	E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.38Å; T274-L277 WeakPolarHBondContact O-CB 3.26Å; T274-L277 PolarHBondContact O-N 3.31Å; L277-S279 VanDerWaalsContact C-N 3.25Å; L277-S279 PolarHBondContact O-N 3.12Å; L277-G280 PolarHBondContact O-N 2.94Å; L277-G280 VanDerWaalsContact O-N 3.13Å; L277-L284 VanDerWaalsContact CA-CD1 3.44Å; L277-L284 HydrophobicContact CB-CD1 3.55Å; L277-L284 HydrophobicContact CD1-CD1 3.92Å; L277-L284 HydrophobicContact CG-CD1 4.35Å; L277-F287 HydrophobicContact CB-CD2 4Å; L277-F287 HydrophobicContact CB-CE2 4.27Å; L277-F287 HydrophobicContact CD1-CB 3.96Å; L277-F287 HydrophobicContact CD1-CD2 4.45Å; L277-F287 HydrophobicContact CD1-CG 4.21Å; L277-F287 HydrophobicContact CD2-CB 4.33Å; L277-F287 HydrophobicContact CD2-CD1 3.77Å; L277-F287 HydrophobicContact CD2-CD2 3.79Å; L277-F287 HydrophobicContact CD2-CE1 3.91Å; L277-F287 HydrophobicContact CD2-CE2 3.93Å; L277-F287 HydrophobicContact CD2-CG 3.7Å; L277-F287 HydrophobicContact CD2-CZ 3.98Å; L277-F287 HydrophobicContact CG-CD2 4.29Å; L277-F287 HydrophobicContact CG-CG 4.36Å; L277-V294 HydrophobicContact CD1-CG1 3.74Å; L277-V294 HydrophobicContact CD1-CG2 4.38Å; L277-V294 HydrophobicContact CD2-CG1 4.29Å; L277-I317 HydrophobicContact CD2-CG2 4.38Å
278	L	88.3	Confident	85.9	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-22.6	-179.6	-68	174.2	0	0	0	112.9	T274 L275 G280 V324 F375 L379 L402 L406	T274-L278 WeakPolarHBondContact O-CG 3.19Å; T274-L278 PolarHBondContact O-N 3.39Å; L275-L278 PolarHBondContact O-N 2.98Å; L278-G280 VanDerWaalsContact C-N 3.32Å; L278-V324 WeakPolarHBondContact O-CG1 3.44Å; L278-F375 HydrophobicContact CB-CE1 4.23Å; L278-F375 HydrophobicContact CB-CZ 4.18Å; L278-F375 WeakPolarHBondContact O-CE1 3.34Å; L278-L379 HydrophobicContact CB-CD1 3.86Å; L278-L379 HydrophobicContact CB-CD2 4.23Å; L278-L379 HydrophobicContact CD1-CD2 4.32Å; L278-L402 HydrophobicContact CD1-CD1 3.76Å; L278-L406 HydrophobicContact CD2-CD2 4.49Å
279	S	85.6	Confident	86	Confident	30 Å²	30	40 Å²	40	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-82.2	-9.1	173.2	72.1	0	0	0	0	114	L275 W276 L277 K376	L275-S279 WeakPolarHBondContact O-CB 3.28Å; L275-S279 PolarHBondContact O-N 2.94Å; L275-S279 PolarHBondContact O-OG 3.42Å; W276-S279 WeakPolarHBondContact CA-OG 3.42Å; W276-S279 PolarHBondContact O-N 3.38Å; W276-S279 PolarHBondContact O-OG 2.84Å; L277-S279 VanDerWaalsContact C-N 3.25Å; L277-S279 PolarHBondContact O-N 3.12Å; S279-K376 WeakPolarHBondContact O-CE 3.4Å; S279-K376 PolarHBondContact O-NZ 3.37Å
280	G	82.2	Confident	85.7	Confident	18 Å²	18	42.2 Å²	42.2	19%	0.186	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	23	174.1	0	0	0	0	0	115.4	W276 L277 L278	W276-G280 PolarHBondContact O-N 3.11Å; L277-G280 PolarHBondContact O-N 2.94Å; L277-G280 VanDerWaalsContact O-N 3.13Å; L278-G280 VanDerWaalsContact C-N 3.32Å
281	V	86.4	Confident	84.9	Confident	68 Å²	68	50 Å²	50	41%	0.412	24%	0.243	S	C	.	.			trans	-76.3	130	177.3	-178.6	0	0	0	0	111	W276 L284	W276-V281 HydrophobicContact CB-CB 4.25Å; W276-V281 HydrophobicContact CB-CG2 4.12Å; W276-V281 WeakPolarHBondContact O-CB 3.29Å; W276-V281 WeakPolarHBondContact O-CG2 3.39Å; W276-V281 PolarHBondContact O-N 3.26Å; V281-L284 HydrophobicContact CB-CD2 4.24Å; V281-L284 HydrophobicContact CB-CG 4.49Å; V281-L284 HydrophobicContact CG1-CD2 3.94Å; V281-L284 HydrophobicContact CG1-CG 4.36Å
282	K	78.8	Confident	84.3	Confident	93 Å²	93	51.5 Å²	51.5	40%	0.404	26%	0.259	S	S	.	.	S	Bend	trans	-89.2	-23	-168.2	-56.8	-177.4	-178.9	174.1	0	115.3	F325 D332	K282-F325 HydrophobicContact CD-CE2 4.06Å; K282-F325 HydrophobicContact CG-CE2 4.01Å; K282-D332 IonicContact NZ-OD2 3.23Å; K282-D332 PolarHBondContact NZ-OD2 2.89Å
283	K	80.4	Confident	84.1	Confident	202 Å²	202	53.7 Å²	53.7	88%	0.878	27%	0.272	S	S	*	.			trans	-116.9	69.3	-172.8	-66	-173.7	179.9	-178.4	0	111.9
284	L	84.9	Confident	84	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.099	28%	0.276	C	S	.	.			trans	-96.6	151.6	179.4	-64.8	177.3	0	0	0	111.1	E273 W276 L277 V281 F287	E273-L284 WeakPolarHBondContact OE2-CB 3.34Å; W276-L284 HydrophobicContact CB-CD1 4.37Å; W276-L284 HydrophobicContact CB-CD2 3.76Å; W276-L284 HydrophobicContact CE3-CD2 4.02Å; L277-L284 VanDerWaalsContact CA-CD1 3.44Å; L277-L284 HydrophobicContact CB-CD1 3.55Å; L277-L284 HydrophobicContact CD1-CD1 3.92Å; L277-L284 HydrophobicContact CG-CD1 4.35Å; V281-L284 HydrophobicContact CB-CD2 4.24Å; V281-L284 HydrophobicContact CB-CG 4.49Å; V281-L284 HydrophobicContact CG1-CD2 3.94Å; V281-L284 HydrophobicContact CG1-CG 4.36Å; L284-F287 HydrophobicContact CB-CB 4.22Å; L284-F287 HydrophobicContact CD1-CB 4.4Å; L284-F287 HydrophobicContact CD1-CD2 4.2Å
285	F	83.2	Confident	84	Confident	33 Å²	33	56.7 Å²	56.7	15%	0.145	29%	0.29	C	S	.	.	S	Bend	trans	-80.6	-39.8	-178.7	175.8	-98.1	0	0	0	111.6	Y224 W225 V263 E273 R297	Y224-F285 AromaticContact CD2-CD1 3.79Å; Y224-F285 HydrophobicContact CD2-CD1 3.79Å; Y224-F285 HydrophobicContact CD2-CE1 4.16Å; Y224-F285 HydrophobicContact CD2-CG 4.27Å; Y224-F285 HydrophobicContact CE2-CB 3.81Å; Y224-F285 AromaticContact CE2-CD1 3.7Å; Y224-F285 HydrophobicContact CE2-CD1 3.7Å; Y224-F285 AromaticContact CE2-CG 3.88Å; Y224-F285 HydrophobicContact CE2-CG 3.88Å; W225-F285 HydrophobicContact CB-CD2 3.9Å; W225-F285 HydrophobicContact CB-CE2 4.13Å; W225-F285 HydrophobicContact CB-CG 4.48Å; V263-F285 HydrophobicContact CG1-CE1 4.37Å; V263-F285 HydrophobicContact CG1-CZ 4.34Å; V263-F285 HydrophobicContact CG2-CZ 4.37Å; E273-F285 PolarHBondContact OE2-N 3.47Å; F285-R297 WeakPolarHBondContact O-CD 3.36Å
286	I	84.9	Confident	83.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-75.6	-42.7	-180	-62.2	-172.8	0	0	0	110.7	V265 V270 E273 R297 I300 L314	V265-I286 HydrophobicContact CG1-CD1 4.38Å; V270-I286 HydrophobicContact CB-CD1 4.23Å; V270-I286 HydrophobicContact CG1-CD1 4.32Å; V270-I286 HydrophobicContact CG2-CD1 3.94Å; E273-I286 HydrophobicContact CB-CB 4.37Å; E273-I286 HydrophobicContact CB-CD1 3.8Å; E273-I286 HydrophobicContact CB-CG1 4.2Å; E273-I286 HydrophobicContact CG-CB 4.49Å; E273-I286 HydrophobicContact CG-CD1 3.84Å; E273-I286 HydrophobicContact CG-CG1 3.97Å; E273-I286 WeakPolarHBondContact OE2-CB 3.36Å; E273-I286 PolarHBondContact OE2-N 3.4Å; I286-R297 WeakPolarHBondContact O-CB 3.45Å; I286-R297 PolarHBondContact O-N 3.19Å; I286-I300 HydrophobicContact CB-CD1 3.91Å; I286-I300 HydrophobicContact CG1-CD1 3.88Å; I286-I300 HydrophobicContact CG2-CD1 3.66Å; I286-L314 HydrophobicContact CG2-CD1 4.08Å; I286-L314 HydrophobicContact CG2-CD2 4.44Å
287	F	86.3	Confident	83.6	Confident	4 Å²	4	58 Å²	58	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	102.7	-176.2	-57.3	-75.5	0	0	0	110	E273 T274 L277 L284 V294 T295 V296 L314 I317 A318	E273-F287 HydrophobicContact CB-CE2 4.43Å; T274-F287 HydrophobicContact CG2-CE2 3.86Å; T274-F287 HydrophobicContact CG2-CZ 3.8Å; L277-F287 HydrophobicContact CB-CD2 4Å; L277-F287 HydrophobicContact CB-CE2 4.27Å; L277-F287 HydrophobicContact CD1-CB 3.96Å; L277-F287 HydrophobicContact CD1-CD2 4.45Å; L277-F287 HydrophobicContact CD1-CG 4.21Å; L277-F287 HydrophobicContact CD2-CB 4.33Å; L277-F287 HydrophobicContact CD2-CD1 3.77Å; L277-F287 HydrophobicContact CD2-CD2 3.79Å; L277-F287 HydrophobicContact CD2-CE1 3.91Å; L277-F287 HydrophobicContact CD2-CE2 3.93Å; L277-F287 HydrophobicContact CD2-CG 3.7Å; L277-F287 HydrophobicContact CD2-CZ 3.98Å; L277-F287 HydrophobicContact CG-CD2 4.29Å; L277-F287 HydrophobicContact CG-CG 4.36Å; L284-F287 HydrophobicContact CB-CB 4.22Å; L284-F287 HydrophobicContact CD1-CB 4.4Å; L284-F287 HydrophobicContact CD1-CD2 4.2Å; F287-V294 HydrophobicContact CB-CG1 3.93Å; F287-V294 HydrophobicContact CD1-CG1 4.37Å; F287-T295 CarbonylContact C-O 3.3Å; F287-T295 WeakPolarHBondContact CA-O 3.24Å; F287-V296 HydrophobicContact CD1-CG2 4.1Å; F287-V296 HydrophobicContact CE1-CG2 4.02Å; F287-L314 HydrophobicContact CE1-CB 4.24Å; F287-L314 HydrophobicContact CE1-CD2 4.23Å; F287-L314 HydrophobicContact CZ-CD2 3.71Å; F287-I317 HydrophobicContact CZ-CG2 4.48Å; F287-A318 HydrophobicContact CD1-CB 4.11Å; F287-A318 HydrophobicContact CE1-CB 4.15Å
288	Q	86.4	Confident	82.9	Confident	68 Å²	68	61.5 Å²	61.5	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.3	178.6	65.5	-172.7	-5.3	0	0	110.4	I290 T295	Q288-I290 HydrophobicContact CG-CD1 3.9Å; Q288-I290 HydrophobicContact CG-CG1 4.11Å; Q288-T295 WeakPolarHBondContact CG-O 3.48Å; Q288-T295 WeakPolarHBondContact CG-OG1 3.45Å; Q288-T295 PolarHBondContact N-O 3.29Å; Q288-T295 PolarHBondContact NE2-OG1 3Å; Q288-T295 PolarHBondContact O-N 2.74Å; Q288-T295 PolarHBondContact O-OG1 3.24Å
289	L	84.2	Confident	82.5	Confident	64 Å²	64	65 Å²	65	34%	0.335	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110	174.4	-175.9	73.6	0	0	0	109.2	V294 F325	L289-V294 HydrophobicContact CD1-CG2 3.98Å; L289-F325 HydrophobicContact CD1-CD1 4.27Å; L289-F325 HydrophobicContact CD1-CD2 4.37Å; L289-F325 HydrophobicContact CD1-CE1 4.03Å; L289-F325 HydrophobicContact CD1-CE2 4.12Å; L289-F325 HydrophobicContact CD1-CG 4.45Å; L289-F325 HydrophobicContact CD1-CZ 3.96Å; L289-F325 HydrophobicContact CD2-CD2 4.5Å; L289-F325 HydrophobicContact CD2-CE1 4.42Å; L289-F325 HydrophobicContact CD2-CE2 3.61Å; L289-F325 HydrophobicContact CD2-CZ 3.57Å; L289-F325 HydrophobicContact CG-CZ 4.4Å
290	I	78.4	Confident	82.4	Confident	78 Å²	78	63.7 Å²	63.7	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	177.7	-53.9	172.4	0	0	0	107.7	Q288 G292 K293	Q288-I290 HydrophobicContact CG-CD1 3.9Å; Q288-I290 HydrophobicContact CG-CG1 4.11Å; I290-G292 VanDerWaalsContact C-N 3.25Å; I290-G292 PolarHBondContact O-N 2.99Å; I290-K293 PolarHBondContact N-O 2.95Å; I290-K293 WeakPolarHBondContact O-CA 3.18Å; I290-K293 WeakPolarHBondContact O-CB 3.24Å; I290-K293 PolarHBondContact O-N 3.38Å
291	D	71.4	Confident	82.4	Confident	162 Å²	162	63.6 Å²	63.6	87%	0.866	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.3	178.9	-55.5	-33.4	0	0	0	114.1	K293	D291-K293 PolarHBondContact O-N 2.87Å
292	G	73.7	Confident	82.2	Confident	33 Å²	33	60.4 Å²	60.4	34%	0.34	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	8.5	-177.8	0	0	0	0	0	114.7	I290 Q322	I290-G292 VanDerWaalsContact C-N 3.25Å; I290-G292 PolarHBondContact O-N 2.99Å; G292-Q322 PolarHBondContact O-NE2 3.05Å; G292-Q322 PolarHBondContact O-OE1 2.85Å
293	K	84.2	Confident	82.3	Confident	142 Å²	142	57.4 Å²	57.4	62%	0.617	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.8	174.6	-65.8	-179.2	-176.3	173.7	0	111.6	I290 D291 T295 Q322	I290-K293 PolarHBondContact N-O 2.95Å; I290-K293 WeakPolarHBondContact O-CA 3.18Å; I290-K293 WeakPolarHBondContact O-CB 3.24Å; I290-K293 PolarHBondContact O-N 3.38Å; D291-K293 PolarHBondContact O-N 2.87Å; K293-T295 PolarHBondContact O-N 3.23Å; K293-Q322 VanDerWaalsContact CA-OE1 3.26Å
294	V	86.3	Confident	82.2	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.3	172.6	-176.9	0	0	0	0	108.6	L277 F287 L289 A318	L277-V294 HydrophobicContact CD1-CG1 3.74Å; L277-V294 HydrophobicContact CD1-CG2 4.38Å; L277-V294 HydrophobicContact CD2-CG1 4.29Å; F287-V294 HydrophobicContact CB-CG1 3.93Å; F287-V294 HydrophobicContact CD1-CG1 4.37Å; L289-V294 HydrophobicContact CD1-CG2 3.98Å; V294-A318 HydrophobicContact CG1-CB 4.16Å
295	T	86.8	Confident	82	Confident	51 Å²	51	51.5 Å²	51.5	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.4	176.9	60.3	0	0	0	0	110.7	F287 Q288 K293	F287-T295 CarbonylContact C-O 3.3Å; F287-T295 WeakPolarHBondContact CA-O 3.24Å; Q288-T295 WeakPolarHBondContact CG-O 3.48Å; Q288-T295 WeakPolarHBondContact CG-OG1 3.45Å; Q288-T295 PolarHBondContact N-O 3.29Å; Q288-T295 PolarHBondContact NE2-OG1 3Å; Q288-T295 PolarHBondContact O-N 2.74Å; Q288-T295 PolarHBondContact O-OG1 3.24Å; K293-T295 PolarHBondContact O-N 3.23Å
296	V	88.4	Confident	82	Confident	16 Å²	16	51.3 Å²	51.3	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.5	177.6	-177.3	0	0	0	0	109.4	F287 L314 E315 A318	F287-V296 HydrophobicContact CD1-CG2 4.1Å; F287-V296 HydrophobicContact CE1-CG2 4.02Å; V296-L314 HydrophobicContact CB-CB 4.49Å; V296-L314 HydrophobicContact CG1-CB 3.88Å; V296-L314 HydrophobicContact CG1-CD1 3.92Å; V296-L314 HydrophobicContact CG2-CB 3.75Å; V296-E315 HydrophobicContact CG2-CB 4.43Å; V296-A318 HydrophobicContact CG2-CB 4.03Å
297	R	84.1	Confident	81.9	Confident	100 Å²	100	53.2 Å²	53.2	38%	0.377	28%	0.276	S	S	.	.			trans	-68.1	132.3	175.4	-172.1	175.3	-171.2	134.7	3	110.8	F285 I286 N299 I300	F285-R297 WeakPolarHBondContact O-CD 3.36Å; I286-R297 WeakPolarHBondContact O-CB 3.45Å; I286-R297 PolarHBondContact O-N 3.19Å; R297-N299 VanDerWaalsContact C-N 3.32Å; R297-N299 PolarHBondContact O-N 2.88Å; R297-I300 HydrophobicContact CB-CD1 3.89Å; R297-I300 HydrophobicContact CB-CG1 4.39Å
298	N	77	Confident	81.7	Confident	84 Å²	84	56.5 Å²	56.5	45%	0.449	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.9	-172.3	-65.9	-35.4	0	0	0	114.9	I300 H307	N298-I300 PolarHBondContact O-N 2.82Å; N298-H307 PolarHBondContact O-CE1 3.36Å
299	N	78.9	Confident	81.6	Confident	79 Å²	79	55.9 Å²	55.9	42%	0.422	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	38.3	-168.4	-64.4	19.9	0	0	0	113.2	D261 V263 R297	D261-N299 PolarHBondContact O-ND2 3.37Å; V263-N299 PolarHBondContact N-O 3.26Å; R297-N299 VanDerWaalsContact C-N 3.32Å; R297-N299 PolarHBondContact O-N 2.88Å
300	I	83.4	Confident	81.8	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.6	-176.1	-58.9	171.6	0	0	0	110.6	V265 I286 R297 N298 H307 L310	V265-I300 HydrophobicContact CB-CG2 4.33Å; V265-I300 HydrophobicContact CG2-CG2 4.07Å; I286-I300 HydrophobicContact CB-CD1 3.91Å; I286-I300 HydrophobicContact CG1-CD1 3.88Å; I286-I300 HydrophobicContact CG2-CD1 3.66Å; R297-I300 HydrophobicContact CB-CD1 3.89Å; R297-I300 HydrophobicContact CB-CG1 4.39Å; N298-I300 PolarHBondContact O-N 2.82Å; I300-H307 PolarHBondContact O-ND1 3.46Å; I300-L310 HydrophobicContact CG2-CD2 4.04Å
301	I	82	Confident	82.2	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.3	174.7	-160.8	165.4	0	0	0	111.4	A243 R262 V263 L264 V265	A243-I301 HydrophobicContact CB-CD1 4Å; A243-I301 HydrophobicContact CB-CG1 4.11Å; R262-I301 HydrophobicContact CB-CB 4.34Å; R262-I301 HydrophobicContact CB-CG2 4.08Å; V263-I301 PolarHBondContact O-N 3.16Å; L264-I301 HydrophobicContact CB-CG2 4.37Å; L264-I301 HydrophobicContact CD1-CG2 3.92Å; V265-I301 PolarHBondContact N-O 3.49Å
302	V	83.6	Confident	83	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-122.7	147.9	174.5	176.9	0	0	0	0	107.4	A243 V265 V270 H304 L305 L310	A243-V302 VanDerWaalsContact CB-O 3.32Å; A243-V302 WeakPolarHBondContact CB-O 3.5Å; V265-V302 WeakPolarHBondContact O-CG2 3.5Å; V270-V302 HydrophobicContact CG2-CG2 4.13Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 VanDerWaalsContact CG1-CE1 3.49Å; V302-H304 WeakPolarHBondContact CG1-CE1 3.45Å; V302-H304 PolarHBondContact O-N 3.36Å; V302-L305 PolarHBondContact O-N 3.34Å; V302-L310 HydrophobicContact CB-CD2 4.24Å; V302-L310 HydrophobicContact CG2-CD1 4.26Å; V302-L310 HydrophobicContact CG2-CD2 3.59Å
303	T	78.8	Confident	83.8	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.184	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.5	-171.2	55.4	0	0	0	0	114.7	S240 N241 L242 A243 L264	S240-T303 CarbonylContact O-C 3.51Å; S240-T303 VanDerWaalsContact O-C 3.3Å; S240-T303 WeakPolarHBondContact O-CB 3.07Å; S240-T303 PolarHBondContact O-OG1 3.01Å; N241-T303 CarbonylContact C-O 3.3Å; N241-T303 VanDerWaalsContact C-O 3.3Å; N241-T303 WeakPolarHBondContact CA-O 3.15Å; L242-T303 PolarHBondContact N-O 2.81Å; L242-T303 VanDerWaalsContact N-O 3.17Å; A243-T303 WeakPolarHBondContact CB-O 3.33Å; A243-T303 PolarHBondContact N-O 3.12Å; L264-T303 HydrophobicContact CD1-CG2 3.89Å; L264-T303 HydrophobicContact CD2-CG2 4.4Å
304	H	80.3	Confident	84	Confident	52 Å²	52	44.4 Å²	44.4	24%	0.241	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	2	-173.1	64.4	-92	0	0	0	114.6	H239 E267 V302	H239-H304 WeakPolarHBondContact O-CB 3.13Å; E267-H304 IonicContact OE2-CE1 3.64Å; E267-H304 PolarHBondContact OE2-CE1 3.18Å; E267-H304 IonicContact OE2-NE2 2.86Å; E267-H304 PolarHBondContact OE2-NE2 2.9Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 VanDerWaalsContact CG1-CE1 3.49Å; V302-H304 WeakPolarHBondContact CG1-CE1 3.45Å; V302-H304 PolarHBondContact O-N 3.36Å
305	L	80.9	Confident	84.2	Confident	46 Å²	46	48.5 Å²	48.5	24%	0.241	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-124.8	141.3	179.1	-68.2	175.8	0	0	0	111.8	V302 L310	V302-L305 PolarHBondContact O-N 3.34Å; L305-L310 HydrophobicContact CB-CB 4.44Å; L305-L310 HydrophobicContact CD1-CD1 4.13Å
306	T	82.9	Confident	84.4	Confident	28 Å²	28	51.7 Å²	51.7	17%	0.172	27%	0.27	C	S	.	.			trans	-67	147.9	169.9	-40.1	0	0	0	0	110.7	W246 S308 C309 L310	W246-T306 HydrophobicContact CD2-CG2 4.38Å; W246-T306 HydrophobicContact CG-CG2 4.08Å; T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 2.62Å; T306-C309 PolarHBondContact N-SG 3.27Å; T306-C309 PolarHBondContact O-N 3.11Å; T306-C309 PolarHBondContact O-SG 3.26Å; T306-L310 PolarHBondContact O-N 3.32Å
307	H	81.3	Confident	84.5	Confident	40 Å²	40	51.7 Å²	51.7	19%	0.185	27%	0.27	C	S	.	.	H	α-helix	trans	-55.6	-40.9	179.1	177.2	64.8	0	0	0	113.2	N298 I300 R311	N298-H307 PolarHBondContact O-CE1 3.36Å; I300-H307 PolarHBondContact O-ND1 3.46Å; H307-R311 VanDerWaalsContact O-CB 3.31Å; H307-R311 WeakPolarHBondContact O-CB 3.42Å; H307-R311 PolarHBondContact O-N 3.48Å
308	S	83	Confident	84.7	Confident	73 Å²	73	47.1 Å²	47.1	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-40.3	-179.4	43.6	0	0	0	0	113.7	T306 S312	T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 2.62Å; S308-S312 WeakPolarHBondContact O-CB 3.43Å; S308-S312 PolarHBondContact O-N 2.95Å; S308-S312 PolarHBondContact O-OG 3.27Å
309	C	84.8	Confident	85.4	Confident	55 Å²	55	45.7 Å²	45.7	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-72.8	-40.1	177.4	61.8	0	0	0	0	111.5	T306 R311 S312 V313	T306-C309 PolarHBondContact N-SG 3.27Å; T306-C309 PolarHBondContact O-N 3.11Å; T306-C309 PolarHBondContact O-SG 3.26Å; C309-R311 PolarHBondContact O-N 3.39Å; C309-S312 PolarHBondContact O-N 3.49Å; C309-V313 PolarHBondContact O-N 3.49Å; C309-V313 VanDerWaalsContact O-N 3.09Å
310	L	87.1	Confident	85.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.1	-179.6	62.8	0	0	0	111.1	I300 V302 L305 T306 S312 V313 L314	I300-L310 HydrophobicContact CG2-CD2 4.04Å; V302-L310 HydrophobicContact CB-CD2 4.24Å; V302-L310 HydrophobicContact CG2-CD1 4.26Å; V302-L310 HydrophobicContact CG2-CD2 3.59Å; L305-L310 HydrophobicContact CB-CB 4.44Å; L305-L310 HydrophobicContact CD1-CD1 4.13Å; T306-L310 PolarHBondContact O-N 3.32Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.29Å; L310-V313 HydrophobicContact CD1-CG1 4.32Å; L310-V313 WeakPolarHBondContact O-CG1 3.47Å; L310-V313 PolarHBondContact O-N 2.99Å; L310-L314 HydrophobicContact CD1-CD1 3.9Å; L310-L314 HydrophobicContact CD1-CG 4.08Å; L310-L314 HydrophobicContact CD2-CD1 4.46Å; L310-L314 HydrophobicContact CG-CD1 3.8Å; L310-L314 HydrophobicContact CG-CG 4.36Å; L310-L314 WeakPolarHBondContact O-CB 3.23Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.92Å
311	R	86.6	Confident	86.1	Confident	105 Å²	105	44.1 Å²	44.1	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-44.5	175.2	-179.9	177	170.7	166.7	2	111.8	H307 C309 V313 L314 E315	H307-R311 VanDerWaalsContact O-CB 3.31Å; H307-R311 WeakPolarHBondContact O-CB 3.42Å; H307-R311 PolarHBondContact O-N 3.48Å; C309-R311 PolarHBondContact O-N 3.39Å; R311-V313 PolarHBondContact O-N 2.9Å; R311-L314 PolarHBondContact O-N 3.44Å; R311-E315 IonicContact NE-OE2 3.71Å; R311-E315 WeakPolarHBondContact O-CB 3.47Å; R311-E315 PolarHBondContact O-N 2.77Å
312	S	89.6	Confident	86.5	Confident	79 Å²	79	45.4 Å²	45.4	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-61.8	-42.5	-178.5	-58.5	0	0	0	0	112.2	S308 C309 L310 Q316	S308-S312 WeakPolarHBondContact O-CB 3.43Å; S308-S312 PolarHBondContact O-N 2.95Å; S308-S312 PolarHBondContact O-OG 3.27Å; C309-S312 PolarHBondContact O-N 3.49Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.29Å; S312-Q316 PolarHBondContact O-N 3.39Å
313	V	89.4	Confident	86.9	Confident	51 Å²	51	46.2 Å²	46.2	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-70.4	-41	176.6	65.4	0	0	0	0	111.8	C309 L310 R311 E315 Q316 I317	C309-V313 PolarHBondContact O-N 3.49Å; C309-V313 VanDerWaalsContact O-N 3.09Å; L310-V313 HydrophobicContact CD1-CG1 4.32Å; L310-V313 WeakPolarHBondContact O-CG1 3.47Å; L310-V313 PolarHBondContact O-N 2.99Å; R311-V313 PolarHBondContact O-N 2.9Å; V313-E315 PolarHBondContact O-N 3.36Å; V313-Q316 WeakPolarHBondContact O-CB 3.5Å; V313-Q316 PolarHBondContact O-N 3.03Å; V313-I317 HydrophobicContact CG2-CD1 4.21Å; V313-I317 WeakPolarHBondContact O-CG1 3.24Å; V313-I317 PolarHBondContact O-N 3.24Å
314	L	89.4	Confident	87.4	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-36.2	177.9	-69.2	175.9	0	0	0	112.3	V270 T274 I286 F287 V296 L310 R311 Q316 I317 A318	V270-L314 HydrophobicContact CG1-CD2 3.58Å; T274-L314 HydrophobicContact CG2-CD2 4.29Å; I286-L314 HydrophobicContact CG2-CD1 4.08Å; I286-L314 HydrophobicContact CG2-CD2 4.44Å; F287-L314 HydrophobicContact CE1-CB 4.24Å; F287-L314 HydrophobicContact CE1-CD2 4.23Å; F287-L314 HydrophobicContact CZ-CD2 3.71Å; V296-L314 HydrophobicContact CB-CB 4.49Å; V296-L314 HydrophobicContact CG1-CB 3.88Å; V296-L314 HydrophobicContact CG1-CD1 3.92Å; V296-L314 HydrophobicContact CG2-CB 3.75Å; L310-L314 HydrophobicContact CD1-CD1 3.9Å; L310-L314 HydrophobicContact CD1-CG 4.08Å; L310-L314 HydrophobicContact CD2-CD1 4.46Å; L310-L314 HydrophobicContact CG-CD1 3.8Å; L310-L314 HydrophobicContact CG-CG 4.36Å; L310-L314 WeakPolarHBondContact O-CB 3.23Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.92Å; R311-L314 PolarHBondContact O-N 3.44Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-I317 PolarHBondContact O-N 3.21Å; L314-A318 VanDerWaalsContact O-CB 3.3Å; L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 2.96Å
315	E	90.9	Very high	87.8	Confident	105 Å²	105	43.5 Å²	43.5	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-36.6	177.6	-169.7	163.4	-178.7	0	0	111	V296 R311 V313 A318 A319	V296-E315 HydrophobicContact CG2-CB 4.43Å; R311-E315 IonicContact NE-OE2 3.71Å; R311-E315 WeakPolarHBondContact O-CB 3.47Å; R311-E315 PolarHBondContact O-N 2.77Å; V313-E315 PolarHBondContact O-N 3.36Å; E315-A318 PolarHBondContact O-N 3.33Å; E315-A319 PolarHBondContact O-N 3.37Å
316	Q	90.4	Very high	88.2	Confident	119 Å²	119	45 Å²	45	56%	0.556	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-42	171.2	-175.4	66.4	2.1	0	0	112.1	S312 V313 L314 A319 Y320	S312-Q316 PolarHBondContact O-N 3.39Å; V313-Q316 WeakPolarHBondContact O-CB 3.5Å; V313-Q316 PolarHBondContact O-N 3.03Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-A319 PolarHBondContact O-N 3.28Å; Q316-Y320 VanDerWaalsContact O-CD2 3.27Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.28Å
317	I	89.9	Confident	88.4	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-39	176.1	-62.7	165.2	0	0	0	110.7	T274 L277 F287 V313 L314 A319 Y320 G321 V399	T274-I317 HydrophobicContact CG2-CD1 3.97Å; T274-I317 HydrophobicContact CG2-CG2 4.13Å; L277-I317 HydrophobicContact CD2-CG2 4.38Å; F287-I317 HydrophobicContact CZ-CG2 4.48Å; V313-I317 HydrophobicContact CG2-CD1 4.21Å; V313-I317 WeakPolarHBondContact O-CG1 3.24Å; V313-I317 PolarHBondContact O-N 3.24Å; L314-I317 PolarHBondContact O-N 3.21Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.43Å; I317-Y320 PolarHBondContact O-N 3.02Å; I317-G321 PolarHBondContact O-N 2.83Å; I317-V399 HydrophobicContact CD1-CG2 4.18Å
318	A	89.4	Confident	88.8	Confident	5 Å²	5	42.8 Å²	42.8	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-34.1	177.3	0	0	0	0	0	112.3	F287 V294 V296 L314 E315 Y320 G321 Q322	F287-A318 HydrophobicContact CD1-CB 4.11Å; F287-A318 HydrophobicContact CE1-CB 4.15Å; V294-A318 HydrophobicContact CG1-CB 4.16Å; V296-A318 HydrophobicContact CG2-CB 4.03Å; L314-A318 VanDerWaalsContact O-CB 3.3Å; L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 2.96Å; E315-A318 PolarHBondContact O-N 3.33Å; A318-Y320 VanDerWaalsContact C-N 3.31Å; A318-Y320 PolarHBondContact O-N 2.94Å; A318-G321 CarbonylContact O-C 3.59Å; A318-G321 PolarHBondContact O-N 3.28Å; A318-Q322 PolarHBondContact O-N 3.09Å
319	A	90.6	Very high	89	Confident	53 Å²	53	44.3 Å²	44.3	44%	0.438	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-38	173.5	0	0	0	0	0	112.5	E315 Q316 I317 Q322 V323	E315-A319 PolarHBondContact O-N 3.37Å; Q316-A319 PolarHBondContact O-N 3.28Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.43Å; A319-Q322 WeakPolarHBondContact O-CB 3.38Å; A319-V323 PolarHBondContact O-N 3.36Å
320	Y	89.4	Confident	89.1	Confident	49 Å²	49	42 Å²	42	19%	0.192	21%	0.21	C	C	.	.	H	α-helix	trans	-73.8	-37.6	172.6	-68.7	-74.9	0	0	0	112.1	Q316 I317 A318 Q322 V323 V324 L406	Q316-Y320 VanDerWaalsContact O-CD2 3.27Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.28Å; I317-Y320 PolarHBondContact O-N 3.02Å; A318-Y320 VanDerWaalsContact C-N 3.31Å; A318-Y320 PolarHBondContact O-N 2.94Å; Y320-Q322 PolarHBondContact O-N 3.41Å; Y320-V323 WeakPolarHBondContact O-CB 3.31Å; Y320-V323 PolarHBondContact O-N 3.09Å; Y320-V323 VanDerWaalsContact O-N 3.08Å; Y320-V324 PolarHBondContact O-N 2.79Å; Y320-L406 HydrophobicContact CD1-CB 4.18Å; Y320-L406 HydrophobicContact CD1-CD2 3.86Å; Y320-L406 HydrophobicContact CD2-CD1 4.37Å; Y320-L406 HydrophobicContact CD2-CD2 4.09Å; Y320-L406 HydrophobicContact CE1-CB 3.79Å; Y320-L406 HydrophobicContact CE1-CD2 4.33Å; Y320-L406 WeakPolarHBondContact CE1-O 3.24Å; Y320-L406 HydrophobicContact CE2-CB 4.47Å; Y320-L406 HydrophobicContact CE2-CD1 4.2Å; Y320-L406 HydrophobicContact CG-CD2 3.73Å
321	G	88.7	Confident	89.1	Confident	1 Å²	1	42 Å²	42	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-38.8	170.9	0	0	0	0	0	112.4	I317 A318 V323 V324 F325	I317-G321 PolarHBondContact O-N 2.83Å; A318-G321 CarbonylContact O-C 3.59Å; A318-G321 PolarHBondContact O-N 3.28Å; G321-V323 PolarHBondContact O-N 3.34Å; G321-V324 PolarHBondContact O-N 3.36Å; G321-F325 VanDerWaalsContact O-CB 3.31Å; G321-F325 WeakPolarHBondContact O-CB 3.22Å; G321-F325 PolarHBondContact O-N 2.78Å
322	Q	90.1	Very high	89.1	Confident	42 Å²	42	38.9 Å²	38.9	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-39.8	175	-174.1	61.2	34.2	0	0	112.7	G292 K293 A318 A319 Y320 R326	G292-Q322 PolarHBondContact O-NE2 3.05Å; G292-Q322 PolarHBondContact O-OE1 2.85Å; K293-Q322 VanDerWaalsContact CA-OE1 3.26Å; A318-Q322 PolarHBondContact O-N 3.09Å; A319-Q322 WeakPolarHBondContact O-CB 3.38Å; Y320-Q322 PolarHBondContact O-N 3.41Å; Q322-R326 WeakPolarHBondContact O-CG 3.37Å; Q322-R326 PolarHBondContact O-N 3.24Å
323	V	90.8	Very high	88.8	Confident	18 Å²	18	42 Å²	42	11%	0.109	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-50.6	176.3	165.2	0	0	0	0	110.3	A319 Y320 G321 F325 R326 L327 L409 H413	A319-V323 PolarHBondContact O-N 3.36Å; Y320-V323 WeakPolarHBondContact O-CB 3.31Å; Y320-V323 PolarHBondContact O-N 3.09Å; Y320-V323 VanDerWaalsContact O-N 3.08Å; G321-V323 PolarHBondContact O-N 3.34Å; V323-F325 VanDerWaalsContact C-N 3.33Å; V323-F325 PolarHBondContact O-N 2.68Å; V323-R326 PolarHBondContact O-N 2.76Å; V323-L327 HydrophobicContact CG1-CD1 3.85Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.31Å; V323-L327 VanDerWaalsContact O-N 3.08Å; V323-L409 HydrophobicContact CG1-CB 4.44Å; V323-H413 HydrophobicContact CB-CB 4.43Å; V323-H413 HydrophobicContact CG1-CB 3.6Å; V323-H413 HydrophobicContact CG2-CB 4.03Å
324	V	90.3	Very high	88.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-45.4	178.7	172.8	0	0	0	0	110.6	L278 Y320 G321 R326 L327 Q328 F372 F375 L409	L278-V324 WeakPolarHBondContact O-CG1 3.44Å; Y320-V324 PolarHBondContact O-N 2.79Å; G321-V324 PolarHBondContact O-N 3.36Å; V324-R326 PolarHBondContact O-N 3.41Å; V324-L327 PolarHBondContact O-N 3.44Å; V324-Q328 WeakPolarHBondContact O-CB 3.31Å; V324-Q328 PolarHBondContact O-N 3.04Å; V324-F372 HydrophobicContact CG1-CE1 3.93Å; V324-F372 HydrophobicContact CG2-CE1 4.36Å; V324-F375 HydrophobicContact CG2-CE1 4.49Å; V324-L409 HydrophobicContact CG2-CD1 4.01Å; V324-L409 HydrophobicContact CG2-CD2 4.15Å
325	F	89.2	Confident	88	Confident	25 Å²	25	44.9 Å²	44.9	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-47.6	179.2	-179.4	-96.4	0	0	0	112.2	K282 L289 G321 V323 L327 Q328 E329	K282-F325 HydrophobicContact CD-CE2 4.06Å; K282-F325 HydrophobicContact CG-CE2 4.01Å; L289-F325 HydrophobicContact CD1-CD1 4.27Å; L289-F325 HydrophobicContact CD1-CD2 4.37Å; L289-F325 HydrophobicContact CD1-CE1 4.03Å; L289-F325 HydrophobicContact CD1-CE2 4.12Å; L289-F325 HydrophobicContact CD1-CG 4.45Å; L289-F325 HydrophobicContact CD1-CZ 3.96Å; L289-F325 HydrophobicContact CD2-CD2 4.5Å; L289-F325 HydrophobicContact CD2-CE1 4.42Å; L289-F325 HydrophobicContact CD2-CE2 3.61Å; L289-F325 HydrophobicContact CD2-CZ 3.57Å; L289-F325 HydrophobicContact CG-CZ 4.4Å; G321-F325 VanDerWaalsContact O-CB 3.31Å; G321-F325 WeakPolarHBondContact O-CB 3.22Å; G321-F325 PolarHBondContact O-N 2.78Å; V323-F325 VanDerWaalsContact C-N 3.33Å; V323-F325 PolarHBondContact O-N 2.68Å; F325-L327 PolarHBondContact O-N 2.81Å; F325-Q328 PolarHBondContact O-N 3.33Å; F325-E329 WeakPolarHBondContact O-CB 3.37Å; F325-E329 PolarHBondContact O-N 3.09Å
326	R	88.3	Confident	86.9	Confident	77 Å²	77	42.6 Å²	42.6	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-38.2	178.2	-74.1	-172.9	68.6	-165.8	-3.3	113.1	Q322 V323 V324 F330 A421	Q322-R326 WeakPolarHBondContact O-CG 3.37Å; Q322-R326 PolarHBondContact O-N 3.24Å; V323-R326 PolarHBondContact O-N 2.76Å; V324-R326 PolarHBondContact O-N 3.41Å; R326-F330 PolarHBondContact O-N 2.65Å; R326-A421 VanDerWaalsContact NH2-CB 3.32Å
327	L	88.4	Confident	85.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-38.1	177.4	-70.6	172	0	0	0	111.3	V323 V324 F325 F330 I331 L368 F372 L412 F416	V323-L327 HydrophobicContact CG1-CD1 3.85Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.31Å; V323-L327 VanDerWaalsContact O-N 3.08Å; V324-L327 PolarHBondContact O-N 3.44Å; F325-L327 PolarHBondContact O-N 2.81Å; L327-F330 PolarHBondContact O-N 2.99Å; L327-I331 WeakPolarHBondContact O-CG1 3.49Å; L327-I331 PolarHBondContact O-N 3.43Å; L327-I331 VanDerWaalsContact O-N 3.12Å; L327-L368 HydrophobicContact CB-CD2 4.28Å; L327-L368 HydrophobicContact CD2-CD1 4.39Å; L327-L368 HydrophobicContact CD2-CD2 4.02Å; L327-F372 HydrophobicContact CB-CE2 3.75Å; L327-F372 HydrophobicContact CB-CZ 3.58Å; L327-F372 HydrophobicContact CD1-CE2 4.39Å; L327-F372 HydrophobicContact CD1-CZ 3.85Å; L327-F372 HydrophobicContact CG-CZ 4.37Å; L327-L412 HydrophobicContact CD1-CD2 4.18Å; L327-L412 HydrophobicContact CD1-CG 4.17Å; L327-F416 HydrophobicContact CD2-CB 3.57Å; L327-F416 HydrophobicContact CD2-CD1 3.78Å; L327-F416 HydrophobicContact CD2-CD2 3.97Å; L327-F416 HydrophobicContact CD2-CE1 4.47Å; L327-F416 HydrophobicContact CD2-CG 3.48Å; L327-F416 VanDerWaalsContact CD2-CG 3.48Å
328	Q	88.3	Confident	82.9	Confident	22 Å²	22	47.4 Å²	47.4	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-39.6	175.4	-173.6	65.1	56.3	0	0	111.7	V324 F325 F330 I331 D332	V324-Q328 WeakPolarHBondContact O-CB 3.31Å; V324-Q328 PolarHBondContact O-N 3.04Å; F325-Q328 PolarHBondContact O-N 3.33Å; Q328-F330 VanDerWaalsContact C-N 3.31Å; Q328-F330 PolarHBondContact O-N 3.31Å; Q328-I331 PolarHBondContact O-N 2.91Å; Q328-I331 VanDerWaalsContact O-N 3.15Å; Q328-D332 PolarHBondContact NE2-OD1 3.42Å; Q328-D332 PolarHBondContact O-N 2.66Å
329	E	87.4	Confident	80.5	Confident	104 Å²	104	52.2 Å²	52.2	49%	0.486	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-43.5	173.8	-178.6	176.9	-141	0	0	111.7	F325 D332 E333	F325-E329 WeakPolarHBondContact O-CB 3.37Å; F325-E329 PolarHBondContact O-N 3.09Å; E329-D332 PolarHBondContact O-N 2.89Å; E329-E333 WeakPolarHBondContact O-CB 3.34Å; E329-E333 PolarHBondContact O-N 2.99Å
330	F	87.4	Confident	77.9	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-40.2	174	170.7	-102.9	0	0	0	113.1	R326 L327 Q328 D332 E333 V334 Y361 F364 M365 L368 F416 V420	R326-F330 PolarHBondContact O-N 2.65Å; L327-F330 PolarHBondContact O-N 2.99Å; Q328-F330 VanDerWaalsContact C-N 3.31Å; Q328-F330 PolarHBondContact O-N 3.31Å; F330-D332 VanDerWaalsContact C-N 3.34Å; F330-E333 PolarHBondContact O-N 3.22Å; F330-V334 HydrophobicContact CD2-CG2 4.03Å; F330-V334 HydrophobicContact CE1-CG2 4.38Å; F330-V334 HydrophobicContact CE2-CG2 3.58Å; F330-V334 HydrophobicContact CZ-CG2 3.78Å; F330-V334 WeakPolarHBondContact O-CG2 3.06Å; F330-V334 PolarHBondContact O-N 3.13Å; F330-V334 VanDerWaalsContact O-N 3.07Å; F330-Y361 HydrophobicContact CE2-CD2 4.27Å; F330-Y361 HydrophobicContact CZ-CD2 4.41Å; F330-F364 AromaticContact CE1-CD1 3.75Å; F330-F364 HydrophobicContact CE1-CD1 3.75Å; F330-F364 HydrophobicContact CE1-CE1 4.04Å; F330-F364 HydrophobicContact CZ-CD1 4.08Å; F330-M365 HydrophobicContact CE1-CB 3.98Å; F330-L368 HydrophobicContact CD1-CD2 4.22Å; F330-F416 HydrophobicContact CB-CE2 3.65Å; F330-F416 HydrophobicContact CB-CZ 3.76Å; F330-F416 HydrophobicContact CD1-CD2 4.41Å; F330-F416 AromaticContact CD1-CE2 3.87Å; F330-F416 HydrophobicContact CD1-CE2 3.87Å; F330-F416 AromaticContact CD2-CE2 3.75Å; F330-F416 HydrophobicContact CD2-CE2 3.75Å; F330-F416 HydrophobicContact CD2-CZ 4.35Å; F330-F416 HydrophobicContact CE1-CE2 4.47Å; F330-F416 HydrophobicContact CE2-CE2 4.35Å; F330-F416 HydrophobicContact CG-CD2 4.41Å; F330-F416 AromaticContact CG-CE2 3.46Å; F330-F416 HydrophobicContact CG-CE2 3.46Å; F330-F416 VanDerWaalsContact CG-CE2 3.46Å; F330-F416 HydrophobicContact CG-CZ 4.07Å; F330-V420 HydrophobicContact CD2-CG1 4.16Å; F330-V420 HydrophobicContact CE2-CG1 3.83Å
331	I	87.3	Confident	74.9	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-45.7	175.2	-68.1	166.6	0	0	0	109.9	L327 Q328 E333 V334 M335 L368 Y369 F372	L327-I331 WeakPolarHBondContact O-CG1 3.49Å; L327-I331 PolarHBondContact O-N 3.43Å; L327-I331 VanDerWaalsContact O-N 3.12Å; Q328-I331 PolarHBondContact O-N 2.91Å; Q328-I331 VanDerWaalsContact O-N 3.15Å; I331-E333 VanDerWaalsContact C-N 3.34Å; I331-E333 PolarHBondContact O-N 2.95Å; I331-V334 PolarHBondContact O-N 3.27Å; I331-M335 HydrophobicContact CG2-CE 4.28Å; I331-M335 WeakPolarHBondContact O-CB 3.32Å; I331-M335 PolarHBondContact O-N 3.43Å; I331-L368 HydrophobicContact CD1-CB 4.43Å; I331-L368 HydrophobicContact CD1-CD2 3.88Å; I331-L368 HydrophobicContact CD1-CG 4.09Å; I331-L368 HydrophobicContact CG1-CD2 3.92Å; I331-Y369 HydrophobicContact CG2-CD2 4.21Å; I331-F372 HydrophobicContact CD1-CD2 3.44Å; I331-F372 VanDerWaalsContact CD1-CD2 3.44Å; I331-F372 HydrophobicContact CD1-CE2 3.66Å
332	D	85.4	Confident	72.1	Confident	39 Å²	39	68.3 Å²	68.3	21%	0.209	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-40.6	179.2	-65.4	-6.2	0	0	0	111.1	K282 Q328 E329 F330 G336 H337	K282-D332 IonicContact NZ-OD2 3.23Å; K282-D332 PolarHBondContact NZ-OD2 2.89Å; Q328-D332 PolarHBondContact NE2-OD1 3.42Å; Q328-D332 PolarHBondContact O-N 2.66Å; E329-D332 PolarHBondContact O-N 2.89Å; F330-D332 VanDerWaalsContact C-N 3.34Å; D332-G336 PolarHBondContact O-N 3.17Å; D332-H337 PolarHBondContact O-N 3.48Å
333	E	84.9	Confident	69.4	Low	144 Å²	144	73.3 Å²	73.3	67%	0.673	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-50.5	177	-172.7	-170.7	163	0	0	111.9	E329 F330 I331 G336	E329-E333 WeakPolarHBondContact O-CB 3.34Å; E329-E333 PolarHBondContact O-N 2.99Å; F330-E333 PolarHBondContact O-N 3.22Å; I331-E333 VanDerWaalsContact C-N 3.34Å; I331-E333 PolarHBondContact O-N 2.95Å; E333-G336 PolarHBondContact O-N 3.32Å
334	V	81.4	Confident	66.8	Low	35 Å²	35	79.1 Å²	79.1	21%	0.212	44%	0.44	C	S	.	.	H	α-helix	trans	-76.7	-27.5	-176.3	-179.1	0	0	0	0	112.4	F330 I331 G336 Q362 M365	F330-V334 HydrophobicContact CD2-CG2 4.03Å; F330-V334 HydrophobicContact CE1-CG2 4.38Å; F330-V334 HydrophobicContact CE2-CG2 3.58Å; F330-V334 HydrophobicContact CZ-CG2 3.78Å; F330-V334 WeakPolarHBondContact O-CG2 3.06Å; F330-V334 PolarHBondContact O-N 3.13Å; F330-V334 VanDerWaalsContact O-N 3.07Å; I331-V334 PolarHBondContact O-N 3.27Å; V334-G336 PolarHBondContact O-N 2.88Å; V334-Q362 HydrophobicContact CG1-CG 3.93Å; V334-M365 HydrophobicContact CB-CG 4.24Å; V334-M365 HydrophobicContact CG1-CB 4.46Å; V334-M365 HydrophobicContact CG1-CG 3.8Å; V334-M365 HydrophobicContact CG1-SD 4.41Å
335	M	80.1	Confident	64	Low	80 Å²	80	82.1 Å²	82.1	39%	0.394	47%	0.472	S	S	.	.	H	α-helix	trans	-72.1	-11.5	175.1	-166.7	161.3	-72.4	0	0	112.7	I331 M365	I331-M335 HydrophobicContact CG2-CE 4.28Å; I331-M335 WeakPolarHBondContact O-CB 3.32Å; I331-M335 PolarHBondContact O-N 3.43Å; M335-M365 HydrophobicContact CE-CE 4.11Å; M335-M365 HydrophobicContact CE-SD 4.11Å
336	G	66.9	Low	61.2	Low	57 Å²	57	87.1 Å²	87.1	59%	0.588	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	14.3	176.3	0	0	0	0	0	114	D332 E333 V334 S338	D332-G336 PolarHBondContact O-N 3.17Å; E333-G336 PolarHBondContact O-N 3.32Å; V334-G336 PolarHBondContact O-N 2.88Å; G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 2.66Å
337	H	55.8	Low	58.4	Low	126 Å²	126	86.8 Å²	86.8	58%	0.583	53%	0.53	S	S	*	.			trans	-89.7	58.7	172.4	-66.6	-60.6	0	0	0	110.3	D332 S339	D332-H337 PolarHBondContact O-N 3.48Å; H337-S339 VanDerWaalsContact C-N 3.3Å; H337-S339 PolarHBondContact O-N 3.02Å
338	S	40.9	Very low	55.7	Low	108 Å²	108	92.2 Å²	92.2	76%	0.755	57%	0.568	S	S	*	*			trans	-65.8	94.5	166.9	55.8	0	0	0	0	108.4	G336 E340	G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 2.66Å; S338-E340 PolarHBondContact O-N 3.29Å
339	S	39.1	Very low	52.9	Low	106 Å²	106	97.4 Å²	97.4	74%	0.741	60%	0.601	S	S	*	*			trans	-80.6	66.3	175.9	41.6	0	0	0	0	110.3	H337	H337-S339 VanDerWaalsContact C-N 3.3Å; H337-S339 PolarHBondContact O-N 3.02Å
340	E	34.9	Very low	50.4	Low	170 Å²	170	97.8 Å²	97.8	79%	0.794	61%	0.612	S	S	*	*			trans	-128.9	63.5	154.1	-80.1	-166.5	158.9	0	0	108.7	S338 M342	S338-E340 PolarHBondContact O-N 3.29Å; E340-M342 PolarHBondContact O-N 3.24Å; E340-M342 VanDerWaalsContact O-N 3.16Å
341	S	28	Very low	47.9	Very low	117 Å²	117	107.1 Å²	107.1	82%	0.818	65%	0.653	S	S	*	*			trans	-78.6	77.7	154.5	171.1	0	0	0	0	107.7
342	M	28.6	Very low	45.5	Very low	155 Å²	155	116.4 Å²	116.4	76%	0.764	69%	0.693	S	S	*	*			trans	-64.5	135.1	156	-79.7	-76.9	155.1	0	0	108.3	E340	E340-M342 PolarHBondContact O-N 3.24Å; E340-M342 VanDerWaalsContact O-N 3.16Å
343	L	33.6	Very low	43.3	Very low	147 Å²	147	119 Å²	119	77%	0.77	71%	0.714	S	S	*	*			trans	-12.1	140	175.6	-67.8	143.4	0	0	0	117.6	G345	L343-G345 PolarHBondContact O-N 3.29Å
344	P	37.6	Very low	41.2	Very low	139 Å²	139	119.6 Å²	119.6	90%	0.903	73%	0.728	S	S	*	*	S	Bend	trans	-72.4	93.1	176.6	30.3	-31.2	0	0	0	110.3
345	G	31.2	Very low	39.6	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	74%	0.742	S	S	*	*			trans	-165.6	101.6	175.7	0	0	0	0	0	112.6	L343	L343-G345 PolarHBondContact O-N 3.29Å
346	S	29.4	Very low	38.5	Very low	130 Å²	130	121.1 Å²	121.1	91%	0.909	74%	0.738	S	S	*	*	S	Bend	trans	72.9	101.6	162.7	-173	0	0	0	0	118.8
347	G	30.2	Very low	38.6	Very low	70 Å²	70	122 Å²	122	72%	0.722	73%	0.733	S	S	*	*				90.1	67.6	129.2	0	0	0	0	0	118.6
348	S	30.4	Very low	39.7	Very low	113 Å²	113	118.4 Å²	118.4	79%	0.79	72%	0.716	S	S	*	*				167.7	126.3	122.6	47.3	0	0	0	0	108.9	P350	S348-P350 WeakPolarHBondContact O-CD 3.42Å
349	V	31.5	Very low	41.7	Very low	131 Å²	131	118.5 Å²	118.5	79%	0.794	70%	0.7	S	S	*	*			trans	-57.2	121.8	172.1	177.2	0	0	0	0	107.5	K351	V349-K351 PolarHBondContact O-N 3.23Å
350	P	34.8	Very low	44	Very low	112 Å²	112	113.4 Å²	113.4	73%	0.727	67%	0.665	S	S	*	*			trans	-62.9	114.8	171.4	26	-29.9	0	0	0	105.7	S348 K352	S348-P350 WeakPolarHBondContact O-CD 3.42Å; P350-K352 VanDerWaalsContact C-N 3.32Å; P350-K352 PolarHBondContact O-N 3.32Å
351	K	34.1	Very low	46.5	Very low	204 Å²	204	106.3 Å²	106.3	89%	0.887	63%	0.631	S	S	*	*			trans	-56.7	101.6	171.1	-77.4	177.6	176.3	175.5	0	106.3	V349 S353	V349-K351 PolarHBondContact O-N 3.23Å; K351-S353 PolarHBondContact O-N 3.28Å
352	K	37.2	Very low	49.3	Very low	197 Å²	197	104.6 Å²	104.6	86%	0.857	61%	0.61	S	S	*	*			trans	-48.4	109.3	158.9	-83.5	-178.6	174.3	179.7	0	105.3	P350 T354	P350-K352 VanDerWaalsContact C-N 3.32Å; P350-K352 PolarHBondContact O-N 3.32Å; K352-T354 PolarHBondContact O-N 3.25Å
353	S	38.5	Very low	52.1	Low	92 Å²	92	98 Å²	98	64%	0.643	58%	0.58	S	S	*	*			trans	-50.3	121.5	170.4	41.4	0	0	0	0	106.4	K351 E355	K351-S353 PolarHBondContact O-N 3.28Å; S353-E355 PolarHBondContact O-N 2.79Å
354	T	40.6	Very low	54.8	Low	157 Å²	157	91 Å²	91	96%	0.963	54%	0.543	S	S	*	.			trans	-73	33.7	-179.3	-23.4	0	0	0	0	110.4	K352	K352-T354 PolarHBondContact O-N 3.25Å
355	E	47.9	Very low	57.2	Low	110 Å²	110	85.1 Å²	85.1	51%	0.514	50%	0.504	S	S	.	.			trans	-109.6	128.3	-171.7	-160	161.1	-176.3	0	0	107.5	S353 N429	S353-E355 PolarHBondContact O-N 2.79Å; E355-N429 PolarHBondContact OE1-ND2 3.25Å
356	A	57.4	Low	59.9	Low	37 Å²	37	89 Å²	89	31%	0.306	50%	0.498	S	S	.	.			trans	-58.4	150.1	-174.9	0	0	0	0	0	111.1	F358 G488 A489	A356-F358 PolarHBondContact O-N 3.31Å; A356-G488 VanDerWaalsContact CB-O 3.31Å; A356-G488 WeakPolarHBondContact CB-O 3.5Å; A356-A489 HydrophobicContact CB-CB 4.34Å
357	P	69.8	Low	62.6	Low	75 Å²	75	83.1 Å²	83.1	49%	0.487	46%	0.458	S	S	.	.			trans	-57.7	138.7	179.7	22.5	-33.1	0	0	0	111.8	R359 Q362	P357-R359 PolarHBondContact O-N 3.32Å; P357-Q362 VanDerWaalsContact CB-NE2 3.32Å
358	F	78.8	Confident	65.5	Low	52 Å²	52	79.8 Å²	79.8	23%	0.228	42%	0.424	C	S	.	.			trans	-70.9	94.8	176.2	-73	-96.7	0	0	0	110.8	A356 T360 Y361 Q362 N429 E491	A356-F358 PolarHBondContact O-N 3.31Å; F358-T360 PolarHBondContact O-N 3.44Å; F358-Y361 PolarHBondContact O-N 3.36Å; F358-Q362 VanDerWaalsContact O-CG 3.29Å; F358-Q362 WeakPolarHBondContact O-CG 3.47Å; F358-Q362 PolarHBondContact O-N 3.29Å; F358-N429 HydrophobicContact CD1-CB 4.17Å; F358-N429 HydrophobicContact CE1-CB 3.43Å; F358-N429 VanDerWaalsContact CE1-CB 3.43Å; F358-N429 WeakPolarHBondContact CE1-ND2 3.45Å; F358-N429 WeakPolarHBondContact CE1-OD1 3.33Å; F358-N429 HydrophobicContact CZ-CB 4.2Å; F358-N429 WeakPolarHBondContact CZ-ND2 3.43Å; F358-N429 WeakPolarHBondContact CZ-OD1 3.35Å; F358-E491 WeakPolarHBondContact CA-OE1 3.36Å
359	R	82.8	Confident	68.2	Low	109 Å²	109	78.2 Å²	78.2	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-67.1	-38.4	-170.8	-63.8	-178	179	-169.4	-5	112.3	P357 Q362 A363 P471 E491	P357-R359 PolarHBondContact O-N 3.32Å; R359-Q362 PolarHBondContact O-N 3.17Å; R359-A363 WeakPolarHBondContact O-CB 3.26Å; R359-A363 PolarHBondContact O-N 3.08Å; R359-P471 HydrophobicContact CB-CB 3.92Å; R359-E491 PolarHBondContact N-OE1 2.95Å
360	T	86.6	Confident	70.9	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-38.7	179.9	-54.8	0	0	0	0	111.8	F358 A363 F364 A433 L436 L437 T468 E491	F358-T360 PolarHBondContact O-N 3.44Å; T360-A363 PolarHBondContact O-N 3.03Å; T360-F364 PolarHBondContact O-N 3.34Å; T360-A433 HydrophobicContact CG2-CB 4.29Å; T360-L436 HydrophobicContact CG2-CD2 4.44Å; T360-L437 HydrophobicContact CG2-CD2 4.42Å; T360-L437 HydrophobicContact CG2-CG 4.38Å; T360-T468 HydrophobicContact CG2-CG2 3.97Å; T360-E491 WeakPolarHBondContact CB-OE2 3.42Å; T360-E491 PolarHBondContact N-OE2 2.9Å; T360-E491 VanDerWaalsContact N-OE2 3.08Å; T360-E491 PolarHBondContact OG1-OE2 3.42Å
361	Y	87.1	Confident	73.5	Confident	21 Å²	21	72.4 Å²	72.4	8%	0.082	35%	0.353	C	S	.	.	H	α-helix	trans	-72.4	-35.5	176.8	-82	23.2	0	0	0	111.8	F330 F358 A363 F364 M365 V420 R432 L436	F330-Y361 HydrophobicContact CE2-CD2 4.27Å; F330-Y361 HydrophobicContact CZ-CD2 4.41Å; F358-Y361 PolarHBondContact O-N 3.36Å; Y361-A363 VanDerWaalsContact C-N 3.34Å; Y361-F364 PolarHBondContact O-N 3.04Å; Y361-M365 WeakPolarHBondContact O-CG 3.03Å; Y361-M365 PolarHBondContact O-N 3.45Å; Y361-V420 HydrophobicContact CE2-CG1 4.28Å; Y361-R432 HydrophobicContact CE1-CB 4.31Å; Y361-R432 WeakPolarHBondContact OH-CB 3.48Å; Y361-L436 HydrophobicContact CD1-CD2 3.77Å; Y361-L436 HydrophobicContact CE1-CB 4.36Å; Y361-L436 HydrophobicContact CE1-CD2 3.75Å
362	Q	87.6	Confident	76.1	Confident	81 Å²	81	62.8 Å²	62.8	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-36.8	171.5	-73.4	176.2	-14.2	0	0	112.8	V334 P357 F358 R359 M365 W366	V334-Q362 HydrophobicContact CG1-CG 3.93Å; P357-Q362 VanDerWaalsContact CB-NE2 3.32Å; F358-Q362 VanDerWaalsContact O-CG 3.29Å; F358-Q362 WeakPolarHBondContact O-CG 3.47Å; F358-Q362 PolarHBondContact O-N 3.29Å; R359-Q362 PolarHBondContact O-N 3.17Å; Q362-M365 VanDerWaalsContact O-CG 3.28Å; Q362-M365 WeakPolarHBondContact O-CG 3.41Å; Q362-W366 WeakPolarHBondContact O-CB 3.48Å; Q362-W366 PolarHBondContact O-N 2.8Å; Q362-W366 VanDerWaalsContact O-N 3.09Å
363	A	87.2	Confident	78.6	Confident	17 Å²	17	57.4 Å²	57.4	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-42.1	174.6	0	0	0	0	0	111.5	R359 T360 Y361 W366 A367 E467 P471	R359-A363 WeakPolarHBondContact O-CB 3.26Å; R359-A363 PolarHBondContact O-N 3.08Å; T360-A363 PolarHBondContact O-N 3.03Å; Y361-A363 VanDerWaalsContact C-N 3.34Å; A363-W366 PolarHBondContact O-N 2.83Å; A363-A367 PolarHBondContact O-N 3.3Å; A363-A367 VanDerWaalsContact O-N 3.13Å; A363-E467 WeakPolarHBondContact CB-O 3.4Å; A363-P471 HydrophobicContact CB-CG 3.89Å
364	F	89.5	Confident	81	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-45.8	176	-179.5	-107.9	0	0	0	112.5	F330 T360 Y361 W366 A367 L368 F416 L436 L440 L464 T468	F330-F364 AromaticContact CE1-CD1 3.75Å; F330-F364 HydrophobicContact CE1-CD1 3.75Å; F330-F364 HydrophobicContact CE1-CE1 4.04Å; F330-F364 HydrophobicContact CZ-CD1 4.08Å; T360-F364 PolarHBondContact O-N 3.34Å; Y361-F364 PolarHBondContact O-N 3.04Å; F364-W366 PolarHBondContact O-N 2.94Å; F364-A367 PolarHBondContact O-N 3.26Å; F364-L368 WeakPolarHBondContact O-CB 3.29Å; F364-L368 PolarHBondContact O-N 3.1Å; F364-F416 HydrophobicContact CE1-CD2 4.32Å; F364-L436 HydrophobicContact CB-CD2 3.97Å; F364-L436 HydrophobicContact CD1-CD2 4.41Å; F364-L436 HydrophobicContact CD2-CD1 4.41Å; F364-L436 HydrophobicContact CD2-CD2 4.46Å; F364-L436 HydrophobicContact CE2-CD1 4.43Å; F364-L436 HydrophobicContact CG-CD2 4.03Å; F364-L440 HydrophobicContact CD2-CD1 4.26Å; F364-L440 HydrophobicContact CE2-CD1 4.45Å; F364-L440 HydrophobicContact CE2-CD2 4.37Å; F364-L464 HydrophobicContact CE2-CD2 4.15Å; F364-T468 HydrophobicContact CB-CG2 3.95Å; F364-T468 HydrophobicContact CD2-CG2 4.45Å
365	M	89.6	Confident	83.3	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.069	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-31.6	176.9	72.7	106.7	-92.3	0	0	111.7	F330 V334 M335 Y361 Q362 L368 Y369	F330-M365 HydrophobicContact CE1-CB 3.98Å; V334-M365 HydrophobicContact CB-CG 4.24Å; V334-M365 HydrophobicContact CG1-CB 4.46Å; V334-M365 HydrophobicContact CG1-CG 3.8Å; V334-M365 HydrophobicContact CG1-SD 4.41Å; M335-M365 HydrophobicContact CE-CE 4.11Å; M335-M365 HydrophobicContact CE-SD 4.11Å; Y361-M365 WeakPolarHBondContact O-CG 3.03Å; Y361-M365 PolarHBondContact O-N 3.45Å; Q362-M365 VanDerWaalsContact O-CG 3.28Å; Q362-M365 WeakPolarHBondContact O-CG 3.41Å; M365-L368 WeakPolarHBondContact O-CB 3.45Å; M365-L368 PolarHBondContact O-N 3.05Å; M365-Y369 VanDerWaalsContact O-CB 3.24Å; M365-Y369 WeakPolarHBondContact O-CB 3.44Å; M365-Y369 PolarHBondContact O-N 2.81Å
366	W	87.4	Confident	85.3	Confident	146 Å²	146	45.9 Å²	45.9	55%	0.553	22%	0.22	S	C	*	.	H	α-helix	trans	-67.8	-44.4	177.2	-176	-101.9	0	0	0	111.7	Q362 A363 F364 L368 Y369 K370	Q362-W366 WeakPolarHBondContact O-CB 3.48Å; Q362-W366 PolarHBondContact O-N 2.8Å; Q362-W366 VanDerWaalsContact O-N 3.09Å; A363-W366 PolarHBondContact O-N 2.83Å; F364-W366 PolarHBondContact O-N 2.94Å; W366-L368 VanDerWaalsContact C-N 3.28Å; W366-L368 PolarHBondContact O-N 2.96Å; W366-Y369 HydrophobicContact CE3-CD1 4.47Å; W366-Y369 HydrophobicContact CZ3-CD1 4.31Å; W366-Y369 PolarHBondContact O-N 3.17Å; W366-K370 PolarHBondContact O-N 2.83Å
367	A	86.7	Confident	87	Confident	8 Å²	8	50.3 Å²	50.3	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-41.9	173.9	0	0	0	0	0	111.4	A363 F364 K370 Y371 L464 E467	A363-A367 PolarHBondContact O-N 3.3Å; A363-A367 VanDerWaalsContact O-N 3.13Å; F364-A367 PolarHBondContact O-N 3.26Å; A367-K370 PolarHBondContact O-N 3.48Å; A367-Y371 PolarHBondContact O-N 2.96Å; A367-Y371 VanDerWaalsContact O-N 3.12Å; A367-L464 HydrophobicContact CB-CD1 4.5Å; A367-L464 HydrophobicContact CB-CG 4.13Å; A367-E467 HydrophobicContact CB-CB 3.9Å; A367-E467 HydrophobicContact CB-CG 4.49Å
368	L	89.2	Confident	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-42	176.7	-162.7	71.6	0	0	0	111.9	L327 F330 I331 F364 M365 W366 Y371 F372 L412	L327-L368 HydrophobicContact CB-CD2 4.28Å; L327-L368 HydrophobicContact CD2-CD1 4.39Å; L327-L368 HydrophobicContact CD2-CD2 4.02Å; F330-L368 HydrophobicContact CD1-CD2 4.22Å; I331-L368 HydrophobicContact CD1-CB 4.43Å; I331-L368 HydrophobicContact CD1-CD2 3.88Å; I331-L368 HydrophobicContact CD1-CG 4.09Å; I331-L368 HydrophobicContact CG1-CD2 3.92Å; F364-L368 WeakPolarHBondContact O-CB 3.29Å; F364-L368 PolarHBondContact O-N 3.1Å; M365-L368 WeakPolarHBondContact O-CB 3.45Å; M365-L368 PolarHBondContact O-N 3.05Å; W366-L368 VanDerWaalsContact C-N 3.28Å; W366-L368 PolarHBondContact O-N 2.96Å; L368-Y371 WeakPolarHBondContact O-CB 3.39Å; L368-Y371 PolarHBondContact O-N 3.05Å; L368-F372 HydrophobicContact CD1-CE2 4.36Å; L368-F372 HydrophobicContact CD2-CE2 4.17Å; L368-F372 HydrophobicContact CG-CD2 4.11Å; L368-F372 HydrophobicContact CG-CE2 3.8Å; L368-F372 WeakPolarHBondContact O-CD2 3.47Å; L368-F372 PolarHBondContact O-N 3.47Å; L368-L412 HydrophobicContact CD1-CD1 3.52Å; L368-L412 HydrophobicContact CD1-CD2 3.5Å; L368-L412 HydrophobicContact CD1-CG 3.64Å
369	Y	89	Confident	88.4	Confident	80 Å²	80	46.8 Å²	46.8	31%	0.314	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-42.3	177.3	-174.7	-109	0	0	0	111.8	I331 M365 W366 Y371 F372 I373	I331-Y369 HydrophobicContact CG2-CD2 4.21Å; M365-Y369 VanDerWaalsContact O-CB 3.24Å; M365-Y369 WeakPolarHBondContact O-CB 3.44Å; M365-Y369 PolarHBondContact O-N 2.81Å; W366-Y369 HydrophobicContact CE3-CD1 4.47Å; W366-Y369 HydrophobicContact CZ3-CD1 4.31Å; W366-Y369 PolarHBondContact O-N 3.17Å; Y369-Y371 VanDerWaalsContact C-N 3.29Å; Y369-Y371 PolarHBondContact O-N 3.46Å; Y369-F372 PolarHBondContact O-N 3.05Å; Y369-F372 VanDerWaalsContact O-N 3.11Å; Y369-I373 HydrophobicContact CD1-CD1 3.8Å; Y369-I373 HydrophobicContact CD1-CG1 4.42Å; Y369-I373 HydrophobicContact CE1-CD1 3.5Å; Y369-I373 HydrophobicContact CE1-CG1 4.13Å; Y369-I373 WeakPolarHBondContact O-CG1 3.39Å; Y369-I373 PolarHBondContact O-N 3.2Å
370	K	87.2	Confident	88.8	Confident	107 Å²	107	44.4 Å²	44.4	47%	0.465	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-43	173.5	-168.3	-178.5	179.9	-172.5	0	111.2	W366 A367 I373 S374 D643	W366-K370 PolarHBondContact O-N 2.83Å; A367-K370 PolarHBondContact O-N 3.48Å; K370-I373 PolarHBondContact O-N 2.94Å; K370-S374 PolarHBondContact O-N 3.08Å; K370-D643 IonicContact NZ-OD1 3.11Å; K370-D643 IonicContact NZ-OD2 3.57Å; K370-D643 PolarHBondContact NZ-OD2 3.06Å
371	Y	89.2	Confident	88.8	Confident	13 Å²	13	49.1 Å²	49.1	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-47.3	173.6	175.6	-96.6	0	0	0	111.9	A367 L368 Y369 I373 S374 F375 Q408 L409 L412 L460	A367-Y371 PolarHBondContact O-N 2.96Å; A367-Y371 VanDerWaalsContact O-N 3.12Å; L368-Y371 WeakPolarHBondContact O-CB 3.39Å; L368-Y371 PolarHBondContact O-N 3.05Å; Y369-Y371 VanDerWaalsContact C-N 3.29Å; Y369-Y371 PolarHBondContact O-N 3.46Å; Y371-I373 VanDerWaalsContact C-N 3.32Å; Y371-I373 PolarHBondContact O-N 2.71Å; Y371-S374 PolarHBondContact O-N 2.94Å; Y371-S374 PolarHBondContact O-OG 3.42Å; Y371-F375 PolarHBondContact O-N 3.44Å; Y371-Q408 HydrophobicContact CE2-CB 4.36Å; Y371-Q408 VanDerWaalsContact OH-CB 3.27Å; Y371-Q408 WeakPolarHBondContact OH-CB 3.37Å; Y371-Q408 PolarHBondContact OH-OE1 3.39Å; Y371-L409 HydrophobicContact CE1-CD2 3.76Å; Y371-L409 HydrophobicContact CE1-CG 4.38Å; Y371-L412 HydrophobicContact CD1-CD2 3.67Å; Y371-L412 HydrophobicContact CE1-CD2 3.75Å; Y371-L412 HydrophobicContact CG-CD2 4.37Å; Y371-L460 HydrophobicContact CD2-CD1 3.48Å; Y371-L460 VanDerWaalsContact CD2-CD1 3.48Å; Y371-L460 HydrophobicContact CD2-CD2 4.37Å; Y371-L460 HydrophobicContact CE2-CD1 3.88Å; Y371-L460 HydrophobicContact CE2-CD2 3.98Å; Y371-L460 HydrophobicContact CG-CD1 4.31Å
372	F	88.8	Confident	88.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-32.5	178.7	-83.1	-63.1	0	0	0	114.1	V324 L327 I331 L368 Y369 F375 K376 L409	V324-F372 HydrophobicContact CG1-CE1 3.93Å; V324-F372 HydrophobicContact CG2-CE1 4.36Å; L327-F372 HydrophobicContact CB-CE2 3.75Å; L327-F372 HydrophobicContact CB-CZ 3.58Å; L327-F372 HydrophobicContact CD1-CE2 4.39Å; L327-F372 HydrophobicContact CD1-CZ 3.85Å; L327-F372 HydrophobicContact CG-CZ 4.37Å; I331-F372 HydrophobicContact CD1-CD2 3.44Å; I331-F372 VanDerWaalsContact CD1-CD2 3.44Å; I331-F372 HydrophobicContact CD1-CE2 3.66Å; L368-F372 HydrophobicContact CD1-CE2 4.36Å; L368-F372 HydrophobicContact CD2-CE2 4.17Å; L368-F372 HydrophobicContact CG-CD2 4.11Å; L368-F372 HydrophobicContact CG-CE2 3.8Å; L368-F372 WeakPolarHBondContact O-CD2 3.47Å; L368-F372 PolarHBondContact O-N 3.47Å; Y369-F372 PolarHBondContact O-N 3.05Å; Y369-F372 VanDerWaalsContact O-N 3.11Å; F372-F375 HydrophobicContact CD1-CD1 4.4Å; F372-F375 PolarHBondContact O-N 3.34Å; F372-K376 WeakPolarHBondContact O-CB 3.43Å; F372-K376 VanDerWaalsContact O-CG 3.28Å; F372-K376 WeakPolarHBondContact O-CG 3.41Å; F372-K376 PolarHBondContact O-N 3.36Å; F372-L409 HydrophobicContact CE1-CD2 4.3Å
373	I	88.9	Confident	88.8	Confident	85 Å²	85	45.6 Å²	45.6	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-52.6	173.1	-67.9	166.1	0	0	0	109.6	Y369 K370 Y371 F375 K376 E377	Y369-I373 HydrophobicContact CD1-CD1 3.8Å; Y369-I373 HydrophobicContact CD1-CG1 4.42Å; Y369-I373 HydrophobicContact CE1-CD1 3.5Å; Y369-I373 HydrophobicContact CE1-CG1 4.13Å; Y369-I373 WeakPolarHBondContact O-CG1 3.39Å; Y369-I373 PolarHBondContact O-N 3.2Å; K370-I373 PolarHBondContact O-N 2.94Å; Y371-I373 VanDerWaalsContact C-N 3.32Å; Y371-I373 PolarHBondContact O-N 2.71Å; I373-F375 PolarHBondContact O-N 2.66Å; I373-K376 PolarHBondContact O-N 2.89Å; I373-K376 VanDerWaalsContact O-N 3.13Å; I373-E377 PolarHBondContact O-N 3.15Å
374	S	89	Confident	88.8	Confident	42 Å²	42	51 Å²	51	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-34.3	179.6	72.3	0	0	0	0	112.7	K370 Y371 E378	K370-S374 PolarHBondContact O-N 3.08Å; Y371-S374 PolarHBondContact O-N 2.94Å; Y371-S374 PolarHBondContact O-OG 3.42Å; S374-E378 PolarHBondContact O-N 3.33Å
375	F	90.4	Very high	88.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-41.8	176	-178.8	-123.7	0	0	0	112.1	L278 V324 Y371 F372 I373 E377 E378 L379 L402 R405 L409	L278-F375 HydrophobicContact CB-CE1 4.23Å; L278-F375 HydrophobicContact CB-CZ 4.18Å; L278-F375 WeakPolarHBondContact O-CE1 3.34Å; V324-F375 HydrophobicContact CG2-CE1 4.49Å; Y371-F375 PolarHBondContact O-N 3.44Å; F372-F375 HydrophobicContact CD1-CD1 4.4Å; F372-F375 PolarHBondContact O-N 3.34Å; I373-F375 PolarHBondContact O-N 2.66Å; F375-E377 VanDerWaalsContact C-N 3.34Å; F375-E378 PolarHBondContact O-N 3.2Å; F375-L379 HydrophobicContact CD1-CD1 4.05Å; F375-L379 HydrophobicContact CE1-CD1 3.7Å; F375-L379 HydrophobicContact CE1-CG 4.43Å; F375-L379 HydrophobicContact CE2-CD1 4.41Å; F375-L379 HydrophobicContact CE2-CD2 4.27Å; F375-L379 HydrophobicContact CE2-CG 4.27Å; F375-L379 HydrophobicContact CZ-CD1 3.9Å; F375-L379 HydrophobicContact CZ-CD2 4.15Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CG 3.43Å; F375-L379 PolarHBondContact O-N 3.22Å; F375-L402 HydrophobicContact CE2-CD2 4.44Å; F375-R405 HydrophobicContact CD2-CB 3.95Å; F375-R405 HydrophobicContact CD2-CG 4.05Å; F375-R405 HydrophobicContact CE2-CB 3.71Å; F375-R405 HydrophobicContact CE2-CG 4.18Å; F375-L409 HydrophobicContact CE1-CD1 4.04Å; F375-L409 HydrophobicContact CE2-CD1 4.44Å; F375-L409 HydrophobicContact CZ-CD1 3.88Å
376	K	89.7	Confident	88.2	Confident	74 Å²	74	52.8 Å²	52.8	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-35.5	177	-74	-179.9	-162.6	-167.8	0	112.4	S279 F372 I373 L379 A380	S279-K376 WeakPolarHBondContact O-CE 3.4Å; S279-K376 PolarHBondContact O-NZ 3.37Å; F372-K376 WeakPolarHBondContact O-CB 3.43Å; F372-K376 VanDerWaalsContact O-CG 3.28Å; F372-K376 WeakPolarHBondContact O-CG 3.41Å; F372-K376 PolarHBondContact O-N 3.36Å; I373-K376 PolarHBondContact O-N 2.89Å; I373-K376 VanDerWaalsContact O-N 3.13Å; K376-L379 PolarHBondContact O-N 3.48Å; K376-A380 WeakPolarHBondContact O-CB 3.49Å; K376-A380 PolarHBondContact O-N 2.99Å
377	E	91.9	Very high	88	Confident	130 Å²	130	50.9 Å²	50.9	61%	0.607	25%	0.254	S	S	*	.	H	α-helix	trans	-61.8	-45.3	174.6	-176.7	173.6	-167.8	0	0	111.6	I373 F375 L379 A380 E381	I373-E377 PolarHBondContact O-N 3.15Å; F375-E377 VanDerWaalsContact C-N 3.34Å; E377-L379 PolarHBondContact O-N 2.9Å; E377-A380 WeakPolarHBondContact O-CB 3.47Å; E377-A380 PolarHBondContact O-N 3.43Å; E377-A380 VanDerWaalsContact O-N 3.16Å; E377-E381 PolarHBondContact O-N 3.45Å
378	E	89.4	Confident	87.8	Confident	49 Å²	49	54 Å²	54	23%	0.229	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.1	-170.9	173.1	169.1	0	0	111.8	S374 F375 A380 E381 I382 R405	S374-E378 PolarHBondContact O-N 3.33Å; F375-E378 PolarHBondContact O-N 3.2Å; E378-A380 VanDerWaalsContact C-N 3.3Å; E378-A380 PolarHBondContact O-N 2.84Å; E378-E381 PolarHBondContact O-N 2.83Å; E378-I382 WeakPolarHBondContact O-CG1 3.32Å; E378-I382 PolarHBondContact O-N 3.02Å; E378-I382 VanDerWaalsContact O-N 3.12Å; E378-R405 IonicContact OE2-CZ 2.87Å; E378-R405 VanDerWaalsContact OE2-CZ 3.27Å; E378-R405 IonicContact OE2-NE 3.25Å; E378-R405 PolarHBondContact OE2-NE 3.47Å; E378-R405 IonicContact OE2-NH2 3.34Å; E378-R405 PolarHBondContact OE2-NH2 3.35Å
379	L	90	Very high	86.7	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-37.5	174.1	-66.3	172.9	0	0	0	112.2	L275 L278 F375 K376 E377 I382 E383 L402	L275-L379 HydrophobicContact CD2-CD2 3.6Å; L278-L379 HydrophobicContact CB-CD1 3.86Å; L278-L379 HydrophobicContact CB-CD2 4.23Å; L278-L379 HydrophobicContact CD1-CD2 4.32Å; F375-L379 HydrophobicContact CD1-CD1 4.05Å; F375-L379 HydrophobicContact CE1-CD1 3.7Å; F375-L379 HydrophobicContact CE1-CG 4.43Å; F375-L379 HydrophobicContact CE2-CD1 4.41Å; F375-L379 HydrophobicContact CE2-CD2 4.27Å; F375-L379 HydrophobicContact CE2-CG 4.27Å; F375-L379 HydrophobicContact CZ-CD1 3.9Å; F375-L379 HydrophobicContact CZ-CD2 4.15Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CG 3.43Å; F375-L379 PolarHBondContact O-N 3.22Å; K376-L379 PolarHBondContact O-N 3.48Å; E377-L379 PolarHBondContact O-N 2.9Å; L379-I382 PolarHBondContact O-N 2.71Å; L379-E383 PolarHBondContact O-N 3.37Å; L379-L402 HydrophobicContact CD2-CD1 4.23Å; L379-L402 HydrophobicContact CD2-CD2 3.85Å
380	A	89.6	Confident	85.6	Confident	58 Å²	58	62.5 Å²	62.5	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-67.7	-36	177.6	0	0	0	0	0	112	K376 E377 E378 E383 K384	K376-A380 WeakPolarHBondContact O-CB 3.49Å; K376-A380 PolarHBondContact O-N 2.99Å; E377-A380 WeakPolarHBondContact O-CB 3.47Å; E377-A380 PolarHBondContact O-N 3.43Å; E377-A380 VanDerWaalsContact O-N 3.16Å; E378-A380 VanDerWaalsContact C-N 3.3Å; E378-A380 PolarHBondContact O-N 2.84Å; A380-E383 PolarHBondContact O-N 3.21Å; A380-K384 WeakPolarHBondContact O-CB 3.24Å; A380-K384 PolarHBondContact O-N 2.89Å
381	E	88	Confident	85.1	Confident	100 Å²	100	62.3 Å²	62.3	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-39.8	174.3	-173.3	60.4	-169.6	0	0	111.5	E377 E378 K384 C385	E377-E381 PolarHBondContact O-N 3.45Å; E378-E381 PolarHBondContact O-N 2.83Å; E381-K384 PolarHBondContact O-N 3.05Å; E381-C385 PolarHBondContact O-N 2.95Å; E381-C385 PolarHBondContact O-SG 2.75Å
382	I	86.3	Confident	84.6	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-46.1	171.9	-55.5	-50.1	0	0	0	111	L275 E378 L379 K384 C385 I386 V398 K401	L275-I382 HydrophobicContact CD1-CB 4.41Å; L275-I382 HydrophobicContact CD1-CG2 4.04Å; L275-I382 HydrophobicContact CD2-CB 4.33Å; L275-I382 HydrophobicContact CD2-CG2 4.21Å; E378-I382 WeakPolarHBondContact O-CG1 3.32Å; E378-I382 PolarHBondContact O-N 3.02Å; E378-I382 VanDerWaalsContact O-N 3.12Å; L379-I382 PolarHBondContact O-N 2.71Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 2.9Å; I382-C385 PolarHBondContact O-N 3Å; I382-I386 HydrophobicContact CG2-CD1 4.06Å; I382-I386 WeakPolarHBondContact O-CG1 3.43Å; I382-I386 PolarHBondContact O-N 2.55Å; I382-I386 VanDerWaalsContact O-N 3.11Å; I382-V398 HydrophobicContact CG2-CG2 4.19Å; I382-K401 HydrophobicContact CD1-CD 3.51Å; I382-K401 HydrophobicContact CD1-CG 4.38Å
383	E	87.5	Confident	84.4	Confident	23 Å²	23	69 Å²	69	11%	0.107	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-40.5	177.9	-178.5	69.7	-177.1	0	0	111.3	R272 L275 L379 A380 C385 I386 I387	R272-E383 IonicContact CZ-OE1 2.75Å; R272-E383 VanDerWaalsContact CZ-OE1 3.23Å; R272-E383 IonicContact NE-OE1 3.34Å; R272-E383 PolarHBondContact NE-OE1 3.12Å; R272-E383 IonicContact NE-OE2 3.13Å; R272-E383 IonicContact NH2-OE1 3.98Å; R272-E383 PolarHBondContact NH2-OE1 2.91Å; L275-E383 HydrophobicContact CD1-CB 4.17Å; L275-E383 WeakPolarHBondContact CD1-OE2 3.36Å; L379-E383 PolarHBondContact O-N 3.37Å; A380-E383 PolarHBondContact O-N 3.21Å; E383-C385 PolarHBondContact O-N 3.21Å; E383-I386 WeakPolarHBondContact O-CB 3.38Å; E383-I386 PolarHBondContact O-N 3.46Å; E383-I387 HydrophobicContact CG-CD1 3.9Å; E383-I387 VanDerWaalsContact O-CG1 3.32Å; E383-I387 WeakPolarHBondContact O-CG1 3.46Å; E383-I387 PolarHBondContact O-N 3.34Å
384	K	87.8	Confident	84.3	Confident	130 Å²	130	67 Å²	67	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-61.5	-42.6	176.3	-170.6	-179.6	177.9	-173.8	0	111.7	A380 E381 I382 I386 I387 N388	A380-K384 WeakPolarHBondContact O-CB 3.24Å; A380-K384 PolarHBondContact O-N 2.89Å; E381-K384 PolarHBondContact O-N 3.05Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 2.9Å; K384-I386 PolarHBondContact O-N 3.32Å; K384-I387 PolarHBondContact O-N 3.45Å; K384-N388 VanDerWaalsContact O-CG 3.27Å; K384-N388 PolarHBondContact O-N 3.23Å; K384-N388 PolarHBondContact O-OD1 2.81Å
385	C	84	Confident	84	Confident	34 Å²	34	65.6 Å²	65.6	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-22.2	173.8	-61.8	0	0	0	0	113.9	E381 I382 E383 N388 I393	E381-C385 PolarHBondContact O-N 2.95Å; E381-C385 PolarHBondContact O-SG 2.75Å; I382-C385 PolarHBondContact O-N 3Å; E383-C385 PolarHBondContact O-N 3.21Å; C385-N388 WeakPolarHBondContact CA-OD1 3.41Å; C385-N388 PolarHBondContact O-OD1 3.04Å; C385-I393 HydrophobicContact CB-CD1 3.58Å
386	I	83.1	Confident	83.9	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.092	37%	0.373	C	S	.	.	H	α-helix	trans	-81.5	-38.4	175.4	-66.6	163.9	0	0	0	110.2	I271 L275 I382 E383 K384 N389 I393	I271-I386 HydrophobicContact CG2-CD1 3.46Å; I271-I386 VanDerWaalsContact CG2-CD1 3.46Å; L275-I386 HydrophobicContact CD1-CD1 3.62Å; I382-I386 HydrophobicContact CG2-CD1 4.06Å; I382-I386 WeakPolarHBondContact O-CG1 3.43Å; I382-I386 PolarHBondContact O-N 2.55Å; I382-I386 VanDerWaalsContact O-N 3.11Å; E383-I386 WeakPolarHBondContact O-CB 3.38Å; E383-I386 PolarHBondContact O-N 3.46Å; K384-I386 PolarHBondContact O-N 3.32Å; I386-N389 PolarHBondContact O-OD1 3.09Å; I386-I393 HydrophobicContact CG1-CB 4.33Å; I386-I393 HydrophobicContact CG1-CD1 3.78Å; I386-I393 HydrophobicContact CG1-CG2 4.26Å
387	I	82.7	Confident	83.8	Confident	105 Å²	105	68.9 Å²	68.9	54%	0.538	38%	0.378	S	S	.	.	H	α-helix	trans	-72.2	-39.1	-175.3	-65	161.9	0	0	0	112.1	E383 K384 N389	E383-I387 HydrophobicContact CG-CD1 3.9Å; E383-I387 VanDerWaalsContact O-CG1 3.32Å; E383-I387 WeakPolarHBondContact O-CG1 3.46Å; E383-I387 PolarHBondContact O-N 3.34Å; K384-I387 PolarHBondContact O-N 3.45Å; I387-N389 VanDerWaalsContact C-N 3.27Å; I387-N389 PolarHBondContact O-N 3.34Å
388	N	81.3	Confident	83.6	Confident	75 Å²	75	63 Å²	63	40%	0.401	35%	0.351	S	S	.	.	S	Bend	trans	-75.3	-11	179.9	60.4	-12.7	0	0	0	113.9	K384 C385 D390	K384-N388 VanDerWaalsContact O-CG 3.27Å; K384-N388 PolarHBondContact O-N 3.23Å; K384-N388 PolarHBondContact O-OD1 2.81Å; C385-N388 WeakPolarHBondContact CA-OD1 3.41Å; C385-N388 PolarHBondContact O-OD1 3.04Å; N388-D390 PolarHBondContact ND2-OD2 3.1Å; N388-D390 PolarHBondContact O-N 2.99Å; N388-D390 VanDerWaalsContact O-N 3.07Å
389	N	67.9	Low	83.5	Confident	133 Å²	133	63 Å²	63	71%	0.711	35%	0.354	S	S	*	.			trans	55.8	18.7	175.6	-71.4	-53.2	0	0	0	115.8	I386 I387 T391	I386-N389 PolarHBondContact O-OD1 3.09Å; I387-N389 VanDerWaalsContact C-N 3.27Å; I387-N389 PolarHBondContact O-N 3.34Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 2.8Å
390	D	64.8	Low	83.5	Confident	124 Å²	124	68.4 Å²	68.4	66%	0.663	38%	0.384	S	S	*	.	S	Bend	trans	-75.4	-16.2	-177	-63.4	-39.1	0	0	0	112.7	N388	N388-D390 PolarHBondContact ND2-OD2 3.1Å; N388-D390 PolarHBondContact O-N 2.99Å; N388-D390 VanDerWaalsContact O-N 3.07Å
391	T	76.6	Confident	83.4	Confident	104 Å²	104	70.8 Å²	70.8	64%	0.638	38%	0.383	S	S	*	.	S	Bend	trans	-145.7	137.9	-177.1	-51.4	0	0	0	0	111.1	N389 I393	N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 2.8Å; T391-I393 PolarHBondContact O-N 3Å; T391-I393 VanDerWaalsContact O-N 3.17Å
392	T	79.1	Confident	83.4	Confident	122 Å²	122	66.3 Å²	66.3	75%	0.748	36%	0.362	S	S	*	.			trans	-71.4	109.2	176.6	-49.6	0	0	0	0	110.7	T394	T392-T394 HydrophobicContact CG2-CG2 4.38Å
393	I	83.4	Confident	83.4	Confident	34 Å²	34	68.4 Å²	68.4	17%	0.174	38%	0.381	C	S	.	.			trans	-105.4	119.5	176.6	-63.4	171.4	0	0	0	108.6	I271 C385 I386 T391 V398	I271-I393 WeakPolarHBondContact CD1-O 3.34Å; C385-I393 HydrophobicContact CB-CD1 3.58Å; I386-I393 HydrophobicContact CG1-CB 4.33Å; I386-I393 HydrophobicContact CG1-CD1 3.78Å; I386-I393 HydrophobicContact CG1-CG2 4.26Å; T391-I393 PolarHBondContact O-N 3Å; T391-I393 VanDerWaalsContact O-N 3.17Å; I393-V398 HydrophobicContact CG2-CG2 3.3Å
394	T	86.9	Confident	83.3	Confident	42 Å²	42	70.9 Å²	70.9	26%	0.258	40%	0.399	S	S	.	.			trans	-106.6	165.6	177.1	69.3	0	0	0	0	110.8	E267 T392 A396 I397 V398	E267-T394 WeakPolarHBondContact OE1-CA 3.07Å; E267-T394 WeakPolarHBondContact OE1-CB 3.42Å; T392-T394 HydrophobicContact CG2-CG2 4.38Å; T394-A396 PolarHBondContact O-N 3.12Å; T394-I397 HydrophobicContact CG2-CD1 4.31Å; T394-I397 PolarHBondContact O-N 3.21Å; T394-I397 WeakPolarHBondContact OG1-CG1 3.26Å; T394-V398 PolarHBondContact O-N 3.16Å; T394-V398 VanDerWaalsContact O-N 3.12Å
395	L	84.1	Confident	83.3	Confident	13 Å²	13	67.5 Å²	67.5	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-56.2	-38.8	177.7	-78.5	167.3	0	0	0	112.5	E267 V270 I271 V398 V399	E267-L395 HydrophobicContact CG-CD1 3.79Å; E267-L395 HydrophobicContact CG-CG 3.81Å; E267-L395 PolarHBondContact OE1-N 3.08Å; V270-L395 HydrophobicContact CB-CD1 4.46Å; V270-L395 HydrophobicContact CB-CD2 4.49Å; V270-L395 HydrophobicContact CG1-CD1 4.06Å; V270-L395 HydrophobicContact CG1-CD2 3.95Å; I271-L395 HydrophobicContact CB-CD2 4.38Å; I271-L395 HydrophobicContact CD1-CG 4.35Å; I271-L395 HydrophobicContact CG1-CD2 3.44Å; I271-L395 VanDerWaalsContact CG1-CD2 3.44Å; I271-L395 HydrophobicContact CG1-CG 3.72Å; L395-V398 PolarHBondContact O-N 3.12Å; L395-V399 VanDerWaalsContact O-CG2 3.28Å; L395-V399 WeakPolarHBondContact O-CG2 3.25Å; L395-V399 PolarHBondContact O-N 3.43Å
396	A	86.9	Confident	83.4	Confident	59 Å²	59	66.8 Å²	66.8	49%	0.488	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-45.3	178.8	0	0	0	0	0	111.8	T394 V398 V399 D400	T394-A396 PolarHBondContact O-N 3.12Å; A396-V398 VanDerWaalsContact C-N 3.29Å; A396-V398 PolarHBondContact O-N 3.25Å; A396-V399 PolarHBondContact O-N 3.25Å; A396-D400 WeakPolarHBondContact O-CB 3.49Å; A396-D400 PolarHBondContact O-N 3.18Å
397	I	88.1	Confident	83.6	Confident	83 Å²	83	68.9 Å²	68.9	43%	0.426	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-41	179.6	-63.4	168.8	0	0	0	110.5	T394 K401	T394-I397 HydrophobicContact CG2-CD1 4.31Å; T394-I397 PolarHBondContact O-N 3.21Å; T394-I397 WeakPolarHBondContact OG1-CG1 3.26Å; I397-K401 WeakPolarHBondContact O-CB 3.49Å; I397-K401 PolarHBondContact O-N 3.28Å
398	V	88.1	Confident	83.8	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-45.2	177.3	172.3	0	0	0	0	111.4	I271 L275 I382 I393 T394 L395 A396 D400 K401 L402	I271-V398 HydrophobicContact CG2-CG2 3.93Å; L275-V398 HydrophobicContact CD2-CG1 4.43Å; I382-V398 HydrophobicContact CG2-CG2 4.19Å; I393-V398 HydrophobicContact CG2-CG2 3.3Å; T394-V398 PolarHBondContact O-N 3.16Å; T394-V398 VanDerWaalsContact O-N 3.12Å; L395-V398 PolarHBondContact O-N 3.12Å; A396-V398 VanDerWaalsContact C-N 3.29Å; A396-V398 PolarHBondContact O-N 3.25Å; V398-D400 PolarHBondContact O-N 3.46Å; V398-K401 PolarHBondContact O-N 2.77Å; V398-L402 HydrophobicContact CG1-CD1 3.63Å; V398-L402 HydrophobicContact CG1-CG 4.31Å; V398-L402 WeakPolarHBondContact O-CB 3.29Å; V398-L402 VanDerWaalsContact O-CG 3.23Å; V398-L402 WeakPolarHBondContact O-CG 3.26Å; V398-L402 PolarHBondContact O-N 3.47Å
399	V	88.2	Confident	84.1	Confident	49 Å²	49	61.1 Å²	61.1	30%	0.297	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-42.6	179	171.1	0	0	0	0	111.3	I317 L395 A396 L402 A403	I317-V399 HydrophobicContact CD1-CG2 4.18Å; L395-V399 VanDerWaalsContact O-CG2 3.28Å; L395-V399 WeakPolarHBondContact O-CG2 3.25Å; L395-V399 PolarHBondContact O-N 3.43Å; A396-V399 PolarHBondContact O-N 3.25Å; V399-L402 PolarHBondContact O-N 2.59Å; V399-A403 PolarHBondContact O-N 2.59Å
400	D	88.7	Confident	85.1	Confident	120 Å²	120	61.5 Å²	61.5	64%	0.642	35%	0.347	S	S	*	.	H	α-helix	trans	-67.1	-40.2	178	-70.8	-21.1	0	0	0	111.6	A396 V398 L402 A403	A396-D400 WeakPolarHBondContact O-CB 3.49Å; A396-D400 PolarHBondContact O-N 3.18Å; V398-D400 PolarHBondContact O-N 3.46Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.21Å; D400-A403 VanDerWaalsContact O-CB 3.27Å; D400-A403 WeakPolarHBondContact O-CB 3.29Å; D400-A403 PolarHBondContact O-N 3.06Å
401	K	87.4	Confident	86.2	Confident	108 Å²	108	56.1 Å²	56.1	47%	0.47	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-34.8	176.2	-166.6	169.7	178.2	-173.6	0	112	I382 I397 V398	I382-K401 HydrophobicContact CD1-CD 3.51Å; I382-K401 HydrophobicContact CD1-CG 4.38Å; I397-K401 WeakPolarHBondContact O-CB 3.49Å; I397-K401 PolarHBondContact O-N 3.28Å; V398-K401 PolarHBondContact O-N 2.77Å
402	L	88.2	Confident	86.8	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-84.4	-12	178.3	-66.5	173.3	0	0	0	114	L278 F375 L379 V398 V399 D400 P404 R405 L406	L278-L402 HydrophobicContact CD1-CD1 3.76Å; F375-L402 HydrophobicContact CE2-CD2 4.44Å; L379-L402 HydrophobicContact CD2-CD1 4.23Å; L379-L402 HydrophobicContact CD2-CD2 3.85Å; V398-L402 HydrophobicContact CG1-CD1 3.63Å; V398-L402 HydrophobicContact CG1-CG 4.31Å; V398-L402 WeakPolarHBondContact O-CB 3.29Å; V398-L402 VanDerWaalsContact O-CG 3.23Å; V398-L402 WeakPolarHBondContact O-CG 3.26Å; V398-L402 PolarHBondContact O-N 3.47Å; V399-L402 PolarHBondContact O-N 2.59Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.21Å; L402-P404 VanDerWaalsContact C-CD 3.42Å; L402-R405 WeakPolarHBondContact O-CB 3.29Å; L402-R405 PolarHBondContact O-N 2.99Å; L402-L406 HydrophobicContact CB-CD1 4.28Å; L402-L406 HydrophobicContact CB-CG 4.23Å; L402-L406 WeakPolarHBondContact O-CG 3.39Å; L402-L406 PolarHBondContact O-N 3.43Å
403	A	86.6	Confident	87.2	Confident	50 Å²	50	47.5 Å²	47.5	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-45.3	-46.2	-178.5	0	0	0	0	0	115.6	V399 D400 R405 L406 S407	V399-A403 PolarHBondContact O-N 2.59Å; D400-A403 VanDerWaalsContact O-CB 3.27Å; D400-A403 WeakPolarHBondContact O-CB 3.29Å; D400-A403 PolarHBondContact O-N 3.06Å; A403-R405 VanDerWaalsContact C-N 3.34Å; A403-R405 PolarHBondContact O-N 3.33Å; A403-L406 PolarHBondContact O-N 2.8Å; A403-S407 PolarHBondContact O-N 3.36Å
404	P	85.8	Confident	87.5	Confident	75 Å²	75	52.1 Å²	52.1	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-39	178	24	-34.2	0	0	0	112.6	L402 S407 Q408	L402-P404 VanDerWaalsContact C-CD 3.42Å; P404-S407 WeakPolarHBondContact O-CB 3.39Å; P404-S407 PolarHBondContact O-N 2.97Å; P404-Q408 WeakPolarHBondContact O-CG 3.26Å; P404-Q408 PolarHBondContact O-N 3.46Å
405	R	86.5	Confident	87.5	Confident	59 Å²	59	50.4 Å²	50.4	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-70.5	-38.9	177.4	-62.8	-56.1	-169.6	166.2	10.2	112.2	F375 E378 L402 A403 S407 Q408 L409	F375-R405 HydrophobicContact CD2-CB 3.95Å; F375-R405 HydrophobicContact CD2-CG 4.05Å; F375-R405 HydrophobicContact CE2-CB 3.71Å; F375-R405 HydrophobicContact CE2-CG 4.18Å; E378-R405 IonicContact OE2-CZ 2.87Å; E378-R405 VanDerWaalsContact OE2-CZ 3.27Å; E378-R405 IonicContact OE2-NE 3.25Å; E378-R405 PolarHBondContact OE2-NE 3.47Å; E378-R405 IonicContact OE2-NH2 3.34Å; E378-R405 PolarHBondContact OE2-NH2 3.35Å; L402-R405 WeakPolarHBondContact O-CB 3.29Å; L402-R405 PolarHBondContact O-N 2.99Å; A403-R405 VanDerWaalsContact C-N 3.34Å; A403-R405 PolarHBondContact O-N 3.33Å; R405-S407 VanDerWaalsContact C-N 3.27Å; R405-S407 PolarHBondContact O-N 3.49Å; R405-Q408 VanDerWaalsContact CD-OE1 3.32Å; R405-Q408 VanDerWaalsContact NH1-OE1 3.16Å; R405-Q408 WeakPolarHBondContact O-CB 3.38Å; R405-Q408 PolarHBondContact O-N 3.04Å; R405-L409 WeakPolarHBondContact O-CG 3.34Å; R405-L409 PolarHBondContact O-N 2.82Å
406	L	86.7	Confident	87.8	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-37.1	175.4	-63.4	178.3	0	0	0	111.7	L278 Y320 L402 A403 L409 K410	L278-L406 HydrophobicContact CD2-CD2 4.49Å; Y320-L406 HydrophobicContact CD1-CB 4.18Å; Y320-L406 HydrophobicContact CD1-CD2 3.86Å; Y320-L406 HydrophobicContact CD2-CD1 4.37Å; Y320-L406 HydrophobicContact CD2-CD2 4.09Å; Y320-L406 HydrophobicContact CE1-CB 3.79Å; Y320-L406 HydrophobicContact CE1-CD2 4.33Å; Y320-L406 WeakPolarHBondContact CE1-O 3.24Å; Y320-L406 HydrophobicContact CE2-CB 4.47Å; Y320-L406 HydrophobicContact CE2-CD1 4.2Å; Y320-L406 HydrophobicContact CG-CD2 3.73Å; L402-L406 HydrophobicContact CB-CD1 4.28Å; L402-L406 HydrophobicContact CB-CG 4.23Å; L402-L406 WeakPolarHBondContact O-CG 3.39Å; L402-L406 PolarHBondContact O-N 3.43Å; A403-L406 PolarHBondContact O-N 2.8Å; L406-L409 HydrophobicContact CD2-CD1 4.33Å; L406-L409 PolarHBondContact O-N 3.15Å; L406-K410 PolarHBondContact O-N 3.26Å; L406-K410 VanDerWaalsContact O-N 3.14Å
407	S	87.2	Confident	87.8	Confident	63 Å²	63	49 Å²	49	44%	0.441	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-48.1	172.6	-172.7	0	0	0	0	111.8	A403 P404 R405 L409 K410 V411	A403-S407 PolarHBondContact O-N 3.36Å; P404-S407 WeakPolarHBondContact O-CB 3.39Å; P404-S407 PolarHBondContact O-N 2.97Å; R405-S407 VanDerWaalsContact C-N 3.27Å; R405-S407 PolarHBondContact O-N 3.49Å; S407-L409 PolarHBondContact O-N 3.04Å; S407-K410 WeakPolarHBondContact O-CB 3.4Å; S407-K410 PolarHBondContact O-N 3.47Å; S407-V411 PolarHBondContact O-N 3.23Å
408	Q	86.3	Confident	87.6	Confident	17 Å²	17	46.9 Å²	46.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-45.2	176.1	-72.1	174.7	-3.6	0	0	112.2	Y371 P404 R405 K410 V411 L412 L460	Y371-Q408 HydrophobicContact CE2-CB 4.36Å; Y371-Q408 VanDerWaalsContact OH-CB 3.27Å; Y371-Q408 WeakPolarHBondContact OH-CB 3.37Å; Y371-Q408 PolarHBondContact OH-OE1 3.39Å; P404-Q408 WeakPolarHBondContact O-CG 3.26Å; P404-Q408 PolarHBondContact O-N 3.46Å; R405-Q408 VanDerWaalsContact CD-OE1 3.32Å; R405-Q408 VanDerWaalsContact NH1-OE1 3.16Å; R405-Q408 WeakPolarHBondContact O-CB 3.38Å; R405-Q408 PolarHBondContact O-N 3.04Å; Q408-K410 VanDerWaalsContact C-N 3.29Å; Q408-K410 PolarHBondContact O-N 2.94Å; Q408-V411 PolarHBondContact O-N 3.09Å; Q408-L412 VanDerWaalsContact O-CB 3.3Å; Q408-L412 WeakPolarHBondContact O-CB 3.43Å; Q408-L412 PolarHBondContact O-N 3.39Å; Q408-L460 HydrophobicContact CB-CD2 3.76Å; Q408-L460 HydrophobicContact CG-CD2 3.93Å
409	L	88.4	Confident	87.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-38.1	177.4	-76.6	170.9	0	0	0	112.5	V323 V324 Y371 F372 F375 R405 L406 S407 L412 H413	V323-L409 HydrophobicContact CG1-CB 4.44Å; V324-L409 HydrophobicContact CG2-CD1 4.01Å; V324-L409 HydrophobicContact CG2-CD2 4.15Å; Y371-L409 HydrophobicContact CE1-CD2 3.76Å; Y371-L409 HydrophobicContact CE1-CG 4.38Å; F372-L409 HydrophobicContact CE1-CD2 4.3Å; F375-L409 HydrophobicContact CE1-CD1 4.04Å; F375-L409 HydrophobicContact CE2-CD1 4.44Å; F375-L409 HydrophobicContact CZ-CD1 3.88Å; R405-L409 WeakPolarHBondContact O-CG 3.34Å; R405-L409 PolarHBondContact O-N 2.82Å; L406-L409 HydrophobicContact CD2-CD1 4.33Å; L406-L409 PolarHBondContact O-N 3.15Å; S407-L409 PolarHBondContact O-N 3.04Å; L409-L412 PolarHBondContact O-N 3.2Å; L409-H413 WeakPolarHBondContact O-CB 3.2Å; L409-H413 PolarHBondContact O-N 2.83Å
410	K	88.7	Confident	87	Confident	141 Å²	141	45.2 Å²	45.2	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-65.7	-42.2	177.6	-171.3	175.4	-176.4	178.3	0	112	L406 S407 Q408 K414	L406-K410 PolarHBondContact O-N 3.26Å; L406-K410 VanDerWaalsContact O-N 3.14Å; S407-K410 WeakPolarHBondContact O-CB 3.4Å; S407-K410 PolarHBondContact O-N 3.47Å; Q408-K410 VanDerWaalsContact C-N 3.29Å; Q408-K410 PolarHBondContact O-N 2.94Å; K410-K414 PolarHBondContact O-N 3.37Å; K410-K414 VanDerWaalsContact O-N 3.07Å
411	V	88.6	Confident	86.3	Confident	11 Å²	11	41.7 Å²	41.7	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-44.5	176.5	176.4	0	0	0	0	110.3	S407 Q408 H413 K414 V415 Y447 T457 L461	S407-V411 PolarHBondContact O-N 3.23Å; Q408-V411 PolarHBondContact O-N 3.09Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-N 2.86Å; V411-K414 WeakPolarHBondContact O-CB 3.47Å; V411-K414 PolarHBondContact O-N 3.42Å; V411-K414 VanDerWaalsContact O-N 3.11Å; V411-V415 WeakPolarHBondContact O-CG2 3.27Å; V411-V415 PolarHBondContact O-N 3.43Å; V411-Y447 HydrophobicContact CG1-CD2 4.34Å; V411-Y447 HydrophobicContact CG1-CE2 3.64Å; V411-Y447 HydrophobicContact CG2-CE1 4.24Å; V411-T457 HydrophobicContact CB-CG2 3.95Å; V411-T457 HydrophobicContact CG1-CG2 3.5Å; V411-T457 VanDerWaalsContact CG1-CG2 3.5Å; V411-T457 HydrophobicContact CG2-CG2 3.71Å; V411-L461 HydrophobicContact CG1-CD1 4.02Å; V411-L461 HydrophobicContact CG1-CD2 4.14Å; V411-L461 HydrophobicContact CG1-CG 4.27Å
412	L	88.6	Confident	85.7	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-41.9	177.8	-171.3	56.9	0	0	0	112.4	L327 L368 Y371 Q408 L409 K414 V415 F416 L464	L327-L412 HydrophobicContact CD1-CD2 4.18Å; L327-L412 HydrophobicContact CD1-CG 4.17Å; L368-L412 HydrophobicContact CD1-CD1 3.52Å; L368-L412 HydrophobicContact CD1-CD2 3.5Å; L368-L412 HydrophobicContact CD1-CG 3.64Å; Y371-L412 HydrophobicContact CD1-CD2 3.67Å; Y371-L412 HydrophobicContact CE1-CD2 3.75Å; Y371-L412 HydrophobicContact CG-CD2 4.37Å; Q408-L412 VanDerWaalsContact O-CB 3.3Å; Q408-L412 WeakPolarHBondContact O-CB 3.43Å; Q408-L412 PolarHBondContact O-N 3.39Å; L409-L412 PolarHBondContact O-N 3.2Å; L412-K414 VanDerWaalsContact C-N 3.35Å; L412-K414 PolarHBondContact O-N 3.32Å; L412-V415 PolarHBondContact O-N 3.49Å; L412-F416 WeakPolarHBondContact O-CB 3.45Å; L412-F416 PolarHBondContact O-N 3.21Å; L412-L464 HydrophobicContact CD1-CD2 3.31Å
413	H	88.5	Confident	85	Confident	43 Å²	43	44.2 Å²	44.2	20%	0.199	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-41.8	172.8	-175.4	-105.9	0	0	0	112.4	V323 L409 V411 V415 F416 S417	V323-H413 HydrophobicContact CB-CB 4.43Å; V323-H413 HydrophobicContact CG1-CB 3.6Å; V323-H413 HydrophobicContact CG2-CB 4.03Å; L409-H413 WeakPolarHBondContact O-CB 3.2Å; L409-H413 PolarHBondContact O-N 2.83Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-N 2.86Å; H413-V415 VanDerWaalsContact C-N 3.35Å; H413-V415 PolarHBondContact O-N 3.47Å; H413-F416 PolarHBondContact O-N 2.92Å; H413-S417 VanDerWaalsContact O-CB 3.24Å; H413-S417 WeakPolarHBondContact O-CB 3.31Å; H413-S417 PolarHBondContact O-N 3.25Å
414	K	88.3	Confident	84.3	Confident	132 Å²	132	45.1 Å²	45.1	57%	0.574	24%	0.242	S	C	*	.	H	α-helix	trans	-62.6	-43.6	178.4	-175	60.6	175.7	173.5	0	111.3	K410 V411 L412 T418	K410-K414 PolarHBondContact O-N 3.37Å; K410-K414 VanDerWaalsContact O-N 3.07Å; V411-K414 WeakPolarHBondContact O-CB 3.47Å; V411-K414 PolarHBondContact O-N 3.42Å; V411-K414 VanDerWaalsContact O-N 3.11Å; L412-K414 VanDerWaalsContact C-N 3.35Å; L412-K414 PolarHBondContact O-N 3.32Å; K414-T418 WeakPolarHBondContact O-CB 3.16Å; K414-T418 PolarHBondContact O-N 3.24Å; K414-T418 VanDerWaalsContact O-N 3.1Å; K414-T418 PolarHBondContact O-OG1 3.36Å
415	V	88.1	Confident	83.3	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-47.6	175.4	174.6	0	0	0	0	111.2	V411 L412 H413 T418 G419 L440 A443 L461	V411-V415 WeakPolarHBondContact O-CG2 3.27Å; V411-V415 PolarHBondContact O-N 3.43Å; L412-V415 PolarHBondContact O-N 3.49Å; H413-V415 VanDerWaalsContact C-N 3.35Å; H413-V415 PolarHBondContact O-N 3.47Å; V415-T418 PolarHBondContact O-N 3.17Å; V415-G419 WeakPolarHBondContact O-CA 3.2Å; V415-G419 PolarHBondContact O-N 3.31Å; V415-L440 HydrophobicContact CG1-CD2 3.5Å; V415-L440 HydrophobicContact CG1-CG 4.15Å; V415-A443 HydrophobicContact CG2-CB 4Å; V415-L461 HydrophobicContact CG2-CD2 3.72Å
416	F	89.1	Confident	82.1	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-46.4	178	170.8	-103	0	0	0	112.4	L327 F330 F364 L412 H413 T418 G419 V420 A421	L327-F416 HydrophobicContact CD2-CB 3.57Å; L327-F416 HydrophobicContact CD2-CD1 3.78Å; L327-F416 HydrophobicContact CD2-CD2 3.97Å; L327-F416 HydrophobicContact CD2-CE1 4.47Å; L327-F416 HydrophobicContact CD2-CG 3.48Å; L327-F416 VanDerWaalsContact CD2-CG 3.48Å; F330-F416 HydrophobicContact CB-CE2 3.65Å; F330-F416 HydrophobicContact CB-CZ 3.76Å; F330-F416 HydrophobicContact CD1-CD2 4.41Å; F330-F416 AromaticContact CD1-CE2 3.87Å; F330-F416 HydrophobicContact CD1-CE2 3.87Å; F330-F416 AromaticContact CD2-CE2 3.75Å; F330-F416 HydrophobicContact CD2-CE2 3.75Å; F330-F416 HydrophobicContact CD2-CZ 4.35Å; F330-F416 HydrophobicContact CE1-CE2 4.47Å; F330-F416 HydrophobicContact CE2-CE2 4.35Å; F330-F416 HydrophobicContact CG-CD2 4.41Å; F330-F416 AromaticContact CG-CE2 3.46Å; F330-F416 HydrophobicContact CG-CE2 3.46Å; F330-F416 VanDerWaalsContact CG-CE2 3.46Å; F330-F416 HydrophobicContact CG-CZ 4.07Å; F364-F416 HydrophobicContact CE1-CD2 4.32Å; L412-F416 WeakPolarHBondContact O-CB 3.45Å; L412-F416 PolarHBondContact O-N 3.21Å; H413-F416 PolarHBondContact O-N 2.92Å; F416-T418 VanDerWaalsContact C-N 3.33Å; F416-T418 PolarHBondContact O-N 3.2Å; F416-G419 PolarHBondContact O-N 3.26Å; F416-V420 HydrophobicContact CD2-CB 3.98Å; F416-V420 HydrophobicContact CD2-CG2 4.06Å; F416-V420 HydrophobicContact CE2-CB 3.85Å; F416-V420 HydrophobicContact CE2-CG1 3.94Å; F416-V420 HydrophobicContact CE2-CG2 4.25Å; F416-V420 WeakPolarHBondContact O-CB 3.29Å; F416-V420 PolarHBondContact O-N 2.82Å; F416-A421 HydrophobicContact CE1-CB 4.35Å; F416-A421 PolarHBondContact O-N 3.35Å
417	S	87.1	Confident	81.5	Confident	33 Å²	33	52 Å²	52	23%	0.231	29%	0.287	C	S	.	.	I	π-helix	trans	-63	-42	-178.4	-168.1	0	0	0	0	111.3	H413 A421 E422	H413-S417 VanDerWaalsContact O-CB 3.24Å; H413-S417 WeakPolarHBondContact O-CB 3.31Å; H413-S417 PolarHBondContact O-N 3.25Å; S417-A421 PolarHBondContact O-N 2.98Å; S417-E422 WeakPolarHBondContact O-CB 3.38Å; S417-E422 PolarHBondContact O-N 3.31Å
418	T	85.4	Confident	81	Confident	38 Å²	38	56.8 Å²	56.8	23%	0.233	30%	0.295	C	S	.	.	I	π-helix	trans	-76.8	-36.4	-178.9	-47.6	0	0	0	0	112.1	K414 V415 F416 H435 T439	K414-T418 WeakPolarHBondContact O-CB 3.16Å; K414-T418 PolarHBondContact O-N 3.24Å; K414-T418 VanDerWaalsContact O-N 3.1Å; K414-T418 PolarHBondContact O-OG1 3.36Å; V415-T418 PolarHBondContact O-N 3.17Å; F416-T418 VanDerWaalsContact C-N 3.33Å; F416-T418 PolarHBondContact O-N 3.2Å; T418-H435 PolarHBondContact O-NE2 3.03Å; T418-T439 HydrophobicContact CG2-CG2 4Å
419	G	80.6	Confident	80.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-87.9	-28.8	-173.3	0	0	0	0	0	114.9	V415 F416	V415-G419 WeakPolarHBondContact O-CA 3.2Å; V415-G419 PolarHBondContact O-N 3.31Å; F416-G419 PolarHBondContact O-N 3.26Å
420	V	82.6	Confident	80.2	Confident	19 Å²	19	56.9 Å²	56.9	12%	0.115	30%	0.297	C	S	.	.	I	π-helix	trans	-124	-53.9	-174	-174.6	0	0	0	0	111.4	F330 Y361 F416 E422 V423 L436	F330-V420 HydrophobicContact CD2-CG1 4.16Å; F330-V420 HydrophobicContact CE2-CG1 3.83Å; Y361-V420 HydrophobicContact CE2-CG1 4.28Å; F416-V420 HydrophobicContact CD2-CB 3.98Å; F416-V420 HydrophobicContact CD2-CG2 4.06Å; F416-V420 HydrophobicContact CE2-CB 3.85Å; F416-V420 HydrophobicContact CE2-CG1 3.94Å; F416-V420 HydrophobicContact CE2-CG2 4.25Å; F416-V420 WeakPolarHBondContact O-CB 3.29Å; F416-V420 PolarHBondContact O-N 2.82Å; V420-E422 PolarHBondContact O-N 2.91Å; V420-V423 PolarHBondContact O-N 3.12Å; V420-L436 HydrophobicContact CG2-CD1 4.13Å
421	A	74.3	Confident	79.8	Confident	46 Å²	46	51.9 Å²	51.9	38%	0.38	28%	0.278	S	S	.	.	I	π-helix	trans	-73.8	-25.2	-170.1	0	0	0	0	0	114.9	R326 F416 S417 V423	R326-A421 VanDerWaalsContact NH2-CB 3.32Å; F416-A421 HydrophobicContact CE1-CB 4.35Å; F416-A421 PolarHBondContact O-N 3.35Å; S417-A421 PolarHBondContact O-N 2.98Å; A421-V423 VanDerWaalsContact C-N 3.34Å
422	E	75.4	Confident	79.5	Confident	141 Å²	141	53.5 Å²	53.5	66%	0.659	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.4	179	-166.7	155.8	-169.2	0	0	112.8	S417 V420	S417-E422 WeakPolarHBondContact O-CB 3.38Å; S417-E422 PolarHBondContact O-N 3.31Å; V420-E422 PolarHBondContact O-N 2.91Å
423	V	72.7	Confident	79.4	Confident	25 Å²	25	53.6 Å²	53.6	15%	0.152	28%	0.284	C	S	.	.	S	Bend	trans	-91.6	121.1	179.1	-179.1	0	0	0	0	109.7	V420 A421 T427 R432 H435	V420-V423 PolarHBondContact O-N 3.12Å; A421-V423 VanDerWaalsContact C-N 3.34Å; V423-T427 HydrophobicContact CG1-CG2 3.96Å; V423-T427 WeakPolarHBondContact CG1-OG1 3.22Å; V423-R432 HydrophobicContact CG1-CG 3.99Å; V423-H435 WeakPolarHBondContact CG2-CD2 3.45Å
424	P	71.1	Confident	79.1	Confident	70 Å²	70	51.8 Å²	51.8	46%	0.455	28%	0.276	S	S	.	.			trans	-60.4	145.4	178.1	-23.3	33.3	0	0	0	112.4	D426 T427	P424-D426 WeakPolarHBondContact CB-OD1 3.28Å; P424-D426 PolarHBondContact O-N 3Å; P424-D426 VanDerWaalsContact O-N 3.16Å; P424-T427 HydrophobicContact CB-CG2 4.39Å; P424-T427 WeakPolarHBondContact O-CB 3.07Å; P424-T427 WeakPolarHBondContact O-CG2 3.47Å; P424-T427 PolarHBondContact O-N 3.1Å; P424-T427 PolarHBondContact O-OG1 2.99Å
425	P	65.8	Low	79	Confident	122 Å²	122	48.7 Å²	48.7	79%	0.792	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.1	179.9	25.6	-33.3	0	0	0	113.7	T427	P425-T427 PolarHBondContact O-N 2.97Å
426	D	60.9	Low	79	Confident	143 Å²	143	48.5 Å²	48.5	77%	0.765	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.6	176.6	81.4	-13.5	0	0	0	114.1	P424	P424-D426 WeakPolarHBondContact CB-OD1 3.28Å; P424-D426 PolarHBondContact O-N 3Å; P424-D426 VanDerWaalsContact O-N 3.16Å
427	T	74	Confident	78.9	Confident	32 Å²	32	48 Å²	48	20%	0.196	26%	0.26	C	S	.	.	S	Bend	trans	-80.2	143.4	-175.9	59	0	0	0	0	112.6	V423 P424 P425 R432	V423-T427 HydrophobicContact CG1-CG2 3.96Å; V423-T427 WeakPolarHBondContact CG1-OG1 3.22Å; P424-T427 HydrophobicContact CB-CG2 4.39Å; P424-T427 WeakPolarHBondContact O-CB 3.07Å; P424-T427 WeakPolarHBondContact O-CG2 3.47Å; P424-T427 PolarHBondContact O-N 3.1Å; P424-T427 PolarHBondContact O-OG1 2.99Å; P425-T427 PolarHBondContact O-N 2.97Å; T427-R432 PolarHBondContact O-NE 3.42Å; T427-R432 PolarHBondContact O-NH2 2.9Å; T427-R432 VanDerWaalsContact OG1-CG 3.24Å; T427-R432 WeakPolarHBondContact OG1-CG 3.45Å
428	R	75.8	Confident	78.9	Confident	162 Å²	162	47.7 Å²	47.7	61%	0.611	26%	0.256	S	S	*	.			trans	-63.8	148.1	179.7	-67.4	176	177.1	179.4	-0.9	112.2	V430 V431 R432 Y515	R428-V430 VanDerWaalsContact C-N 3.32Å; R428-V430 HydrophobicContact CB-CG1 4.29Å; R428-V430 PolarHBondContact O-N 3.2Å; R428-V431 HydrophobicContact CB-CG2 4.45Å; R428-V431 WeakPolarHBondContact O-CB 3.42Å; R428-V431 PolarHBondContact O-N 2.86Å; R428-R432 PolarHBondContact O-N 3.15Å; R428-Y515 WeakPolarHBondContact CD-OH 3.32Å; R428-Y515 PolarHBondContact NH1-OH 3.08Å
429	N	78.8	Confident	79.1	Confident	13 Å²	13	46.7 Å²	46.7	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-56.4	-40.7	-173.4	-50.7	-5.8	0	0	0	112.9	E355 F358 V431 R432 A433 A489	E355-N429 PolarHBondContact OE1-ND2 3.25Å; F358-N429 HydrophobicContact CD1-CB 4.17Å; F358-N429 HydrophobicContact CE1-CB 3.43Å; F358-N429 VanDerWaalsContact CE1-CB 3.43Å; F358-N429 WeakPolarHBondContact CE1-ND2 3.45Å; F358-N429 WeakPolarHBondContact CE1-OD1 3.33Å; F358-N429 HydrophobicContact CZ-CB 4.2Å; F358-N429 WeakPolarHBondContact CZ-ND2 3.43Å; F358-N429 WeakPolarHBondContact CZ-OD1 3.35Å; N429-V431 VanDerWaalsContact C-N 3.31Å; N429-V431 PolarHBondContact O-N 3.34Å; N429-R432 PolarHBondContact O-N 3.01Å; N429-R432 PolarHBondContact OD1-NH2 3.4Å; N429-A433 PolarHBondContact O-N 2.95Å; N429-A489 WeakPolarHBondContact CB-O 3.37Å; N429-A489 PolarHBondContact ND2-O 3.08Å
430	V	80	Confident	79.4	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-58.3	-38.9	174.9	63.4	0	0	0	0	113.3	R428 S434 R490 Y515	R428-V430 VanDerWaalsContact C-N 3.32Å; R428-V430 HydrophobicContact CB-CG1 4.29Å; R428-V430 PolarHBondContact O-N 3.2Å; V430-S434 VanDerWaalsContact O-CB 3.23Å; V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.09Å; V430-R490 WeakPolarHBondContact CB-O 3.43Å; V430-R490 PolarHBondContact N-O 3.06Å; V430-R490 VanDerWaalsContact N-O 3.17Å; V430-Y515 HydrophobicContact CG1-CD1 3.75Å; V430-Y515 HydrophobicContact CG1-CD2 4.18Å; V430-Y515 HydrophobicContact CG1-CE1 3.58Å; V430-Y515 HydrophobicContact CG1-CE2 4.04Å; V430-Y515 HydrophobicContact CG1-CG 4.05Å; V430-Y515 HydrophobicContact CG2-CD1 4.27Å; V430-Y515 HydrophobicContact CG2-CG 4.28Å
431	V	81	Confident	79.5	Confident	35 Å²	35	47 Å²	47	21%	0.212	25%	0.249	C	C	.	.	H	α-helix	trans	-71.7	-44	-179.7	-176.3	0	0	0	0	109.1	R428 N429 S434 H435 Y515 V517 T547	R428-V431 HydrophobicContact CB-CG2 4.45Å; R428-V431 WeakPolarHBondContact O-CB 3.42Å; R428-V431 PolarHBondContact O-N 2.86Å; N429-V431 VanDerWaalsContact C-N 3.31Å; N429-V431 PolarHBondContact O-N 3.34Å; V431-S434 PolarHBondContact O-N 3.27Å; V431-H435 WeakPolarHBondContact O-CB 3.48Å; V431-H435 PolarHBondContact O-N 2.9Å; V431-Y515 HydrophobicContact CG2-CE1 4.25Å; V431-V517 HydrophobicContact CG2-CG2 4.3Å; V431-T547 HydrophobicContact CB-CG2 4.39Å; V431-T547 HydrophobicContact CG1-CG2 3.97Å; V431-T547 HydrophobicContact CG2-CG2 4.09Å
432	R	81.9	Confident	80	Confident	46 Å²	46	50.7 Å²	50.7	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-48.9	177.4	-72.6	-168.9	-83.6	165.8	-4.6	112.6	Y361 V423 T427 R428 N429 L436	Y361-R432 HydrophobicContact CE1-CB 4.31Å; Y361-R432 WeakPolarHBondContact OH-CB 3.48Å; V423-R432 HydrophobicContact CG1-CG 3.99Å; T427-R432 PolarHBondContact O-NE 3.42Å; T427-R432 PolarHBondContact O-NH2 2.9Å; T427-R432 VanDerWaalsContact OG1-CG 3.24Å; T427-R432 WeakPolarHBondContact OG1-CG 3.45Å; R428-R432 PolarHBondContact O-N 3.15Å; N429-R432 PolarHBondContact O-N 3.01Å; N429-R432 PolarHBondContact OD1-NH2 3.4Å; R432-L436 WeakPolarHBondContact O-CB 3.3Å; R432-L436 PolarHBondContact O-N 3.15Å; R432-L436 VanDerWaalsContact O-N 3.09Å
433	A	85.2	Confident	80.5	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-47.2	177.1	0	0	0	0	0	111.9	T360 N429 H435 L436 L437 Y472 E491	T360-A433 HydrophobicContact CG2-CB 4.29Å; N429-A433 PolarHBondContact O-N 2.95Å; A433-H435 VanDerWaalsContact C-N 3.33Å; A433-H435 PolarHBondContact O-N 3.4Å; A433-L436 PolarHBondContact O-N 3.26Å; A433-L437 WeakPolarHBondContact O-CG 3.36Å; A433-L437 PolarHBondContact O-N 3.47Å; A433-L437 VanDerWaalsContact O-N 3.09Å; A433-Y472 HydrophobicContact CB-CE2 4.31Å; A433-E491 HydrophobicContact CB-CB 4.14Å; A433-E491 HydrophobicContact CB-CG 4.35Å
434	S	84.1	Confident	81	Confident	5 Å²	5	43.3 Å²	43.3	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-37.3	179.5	-178.4	0	0	0	0	112.6	V430 V431 N438 T547	V430-S434 VanDerWaalsContact O-CB 3.23Å; V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.09Å; V431-S434 PolarHBondContact O-N 3.27Å; S434-N438 VanDerWaalsContact O-CB 3.24Å; S434-N438 WeakPolarHBondContact O-CB 3.23Å; S434-N438 PolarHBondContact O-N 3.31Å; S434-T547 PolarHBondContact OG-O 3.19Å
435	H	85.8	Confident	81.4	Confident	67 Å²	67	42.1 Å²	42.1	31%	0.31	21%	0.211	S	C	.	.	H	α-helix	trans	-69.2	-43.7	179.5	-175	70.6	0	0	0	111.6	T418 V423 V431 A433 N438 T439	T418-H435 PolarHBondContact O-NE2 3.03Å; V423-H435 WeakPolarHBondContact CG2-CD2 3.45Å; V431-H435 WeakPolarHBondContact O-CB 3.48Å; V431-H435 PolarHBondContact O-N 2.9Å; A433-H435 VanDerWaalsContact C-N 3.33Å; A433-H435 PolarHBondContact O-N 3.4Å; H435-N438 PolarHBondContact O-N 2.89Å; H435-T439 WeakPolarHBondContact O-CB 3.41Å; H435-T439 PolarHBondContact O-N 3.34Å; H435-T439 PolarHBondContact O-OG1 3.19Å
436	L	88.1	Confident	82.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-49.6	175.9	178.9	61.3	0	0	0	111.6	T360 Y361 F364 V420 R432 A433 N438 T439 L440 T468	T360-L436 HydrophobicContact CG2-CD2 4.44Å; Y361-L436 HydrophobicContact CD1-CD2 3.77Å; Y361-L436 HydrophobicContact CE1-CB 4.36Å; Y361-L436 HydrophobicContact CE1-CD2 3.75Å; F364-L436 HydrophobicContact CB-CD2 3.97Å; F364-L436 HydrophobicContact CD1-CD2 4.41Å; F364-L436 HydrophobicContact CD2-CD1 4.41Å; F364-L436 HydrophobicContact CD2-CD2 4.46Å; F364-L436 HydrophobicContact CE2-CD1 4.43Å; F364-L436 HydrophobicContact CG-CD2 4.03Å; V420-L436 HydrophobicContact CG2-CD1 4.13Å; R432-L436 WeakPolarHBondContact O-CB 3.3Å; R432-L436 PolarHBondContact O-N 3.15Å; R432-L436 VanDerWaalsContact O-N 3.09Å; A433-L436 PolarHBondContact O-N 3.26Å; L436-N438 VanDerWaalsContact C-N 3.31Å; L436-N438 PolarHBondContact O-N 3.49Å; L436-T439 PolarHBondContact O-N 2.85Å; L436-L440 HydrophobicContact CD1-CD1 4.41Å; L436-L440 HydrophobicContact CG-CD1 4.36Å; L436-L440 PolarHBondContact O-N 3.47Å; L436-T468 HydrophobicContact CD2-CG2 4.21Å
437	L	87.5	Confident	83	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-37.2	178.4	-70	-178.9	0	0	0	112.6	T360 A433 Y441 T468 V469 Y472 V549 F551	T360-L437 HydrophobicContact CG2-CD2 4.42Å; T360-L437 HydrophobicContact CG2-CG 4.38Å; A433-L437 WeakPolarHBondContact O-CG 3.36Å; A433-L437 PolarHBondContact O-N 3.47Å; A433-L437 VanDerWaalsContact O-N 3.09Å; L437-Y441 VanDerWaalsContact O-CB 3.22Å; L437-Y441 WeakPolarHBondContact O-CB 3.31Å; L437-Y441 PolarHBondContact O-N 2.99Å; L437-T468 HydrophobicContact CD2-CG2 3.78Å; L437-V469 HydrophobicContact CD2-CG1 3.68Å; L437-Y472 HydrophobicContact CD1-CD1 4.16Å; L437-Y472 HydrophobicContact CD1-CD2 3.82Å; L437-Y472 HydrophobicContact CD1-CE1 4.38Å; L437-Y472 HydrophobicContact CD1-CE2 4.08Å; L437-Y472 HydrophobicContact CD1-CG 3.87Å; L437-V549 HydrophobicContact CB-CG1 4.18Å; L437-V549 HydrophobicContact CD1-CG1 4.39Å; L437-V549 HydrophobicContact CD1-CG2 4.31Å; L437-F551 HydrophobicContact CB-CE1 4.44Å; L437-F551 HydrophobicContact CD1-CE1 4.48Å
438	N	87.1	Confident	83	Confident	28 Å²	28	37.3 Å²	37.3	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-73.2	-33.5	177.2	-162.5	27	0	0	0	112.1	S434 H435 L436 K442 S550	S434-N438 VanDerWaalsContact O-CB 3.24Å; S434-N438 WeakPolarHBondContact O-CB 3.23Å; S434-N438 PolarHBondContact O-N 3.31Å; H435-N438 PolarHBondContact O-N 2.89Å; L436-N438 VanDerWaalsContact C-N 3.31Å; L436-N438 PolarHBondContact O-N 3.49Å; N438-K442 WeakPolarHBondContact O-CB 3.46Å; N438-K442 VanDerWaalsContact O-CG 3.26Å; N438-K442 WeakPolarHBondContact O-CG 3.37Å; N438-K442 PolarHBondContact O-N 3.08Å; N438-S550 WeakPolarHBondContact OD1-CB 3.23Å; N438-S550 PolarHBondContact OD1-OG 3.06Å
439	T	89	Confident	82.7	Confident	16 Å²	16	36.4 Å²	36.4	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-47.4	175.8	-59.2	0	0	0	0	110.4	T418 H435 L436 K442 A443	T418-T439 HydrophobicContact CG2-CG2 4Å; H435-T439 WeakPolarHBondContact O-CB 3.41Å; H435-T439 PolarHBondContact O-N 3.34Å; H435-T439 PolarHBondContact O-OG1 3.19Å; L436-T439 PolarHBondContact O-N 2.85Å; T439-K442 PolarHBondContact O-N 3.11Å; T439-A443 VanDerWaalsContact O-CB 3.25Å; T439-A443 WeakPolarHBondContact O-CB 3.39Å; T439-A443 PolarHBondContact O-N 3.24Å
440	L	86.1	Confident	82.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-46.5	173.8	-74.3	166.5	0	0	0	111.6	F364 V415 L436 K442 A443 I444 L464 T468	F364-L440 HydrophobicContact CD2-CD1 4.26Å; F364-L440 HydrophobicContact CE2-CD1 4.45Å; F364-L440 HydrophobicContact CE2-CD2 4.37Å; V415-L440 HydrophobicContact CG1-CD2 3.5Å; V415-L440 HydrophobicContact CG1-CG 4.15Å; L436-L440 HydrophobicContact CD1-CD1 4.41Å; L436-L440 HydrophobicContact CG-CD1 4.36Å; L436-L440 PolarHBondContact O-N 3.47Å; L440-K442 PolarHBondContact O-N 2.81Å; L440-A443 PolarHBondContact O-N 3.4Å; L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.28Å; L440-I444 PolarHBondContact O-N 3.46Å; L440-L464 HydrophobicContact CD2-CB 4.5Å; L440-T468 HydrophobicContact CD1-CG2 3.92Å
441	Y	85.3	Confident	81.7	Confident	25 Å²	25	41 Å²	41	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-47.6	177.6	179.3	-100.1	0	0	0	112.4	L437 L445 F551 F683 L687	L437-Y441 VanDerWaalsContact O-CB 3.22Å; L437-Y441 WeakPolarHBondContact O-CB 3.31Å; L437-Y441 PolarHBondContact O-N 2.99Å; Y441-L445 HydrophobicContact CD1-CD1 4.02Å; Y441-L445 HydrophobicContact CE1-CD1 3.45Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.45Å; Y441-L445 HydrophobicContact CE1-CG 4.44Å; Y441-L445 HydrophobicContact CE2-CD1 4.47Å; Y441-L445 WeakPolarHBondContact O-CG 3.46Å; Y441-L445 PolarHBondContact O-N 3.1Å; Y441-F551 HydrophobicContact CD2-CB 3.7Å; Y441-F551 HydrophobicContact CD2-CD1 4.41Å; Y441-F551 HydrophobicContact CE2-CB 3.63Å; Y441-F551 HydrophobicContact CG-CB 4.47Å; Y441-F683 HydrophobicContact CD2-CD1 4.36Å; Y441-F683 AromaticContact CD2-CE1 3.5Å; Y441-F683 HydrophobicContact CD2-CE1 3.5Å; Y441-F683 HydrophobicContact CD2-CZ 4.37Å; Y441-F683 HydrophobicContact CE2-CD1 4.11Å; Y441-F683 AromaticContact CE2-CE1 3.59Å; Y441-F683 HydrophobicContact CE2-CE1 3.59Å; Y441-L687 HydrophobicContact CE2-CD1 4.05Å
442	K	85.3	Confident	80.7	Confident	124 Å²	124	44.3 Å²	44.3	54%	0.539	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-40.8	178.6	-74.8	177.4	179.9	-178.5	0	112.5	N438 T439 L440 I444 L445 E446	N438-K442 WeakPolarHBondContact O-CB 3.46Å; N438-K442 VanDerWaalsContact O-CG 3.26Å; N438-K442 WeakPolarHBondContact O-CG 3.37Å; N438-K442 PolarHBondContact O-N 3.08Å; T439-K442 PolarHBondContact O-N 3.11Å; L440-K442 PolarHBondContact O-N 2.81Å; K442-I444 VanDerWaalsContact C-N 3.35Å; K442-L445 PolarHBondContact O-N 3.04Å; K442-E446 PolarHBondContact O-N 3.35Å
443	A	85.1	Confident	79.6	Confident	10 Å²	10	47.1 Å²	47.1	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.5	0	0	0	0	0	110.7	V415 T439 L440 L445 E446 Y447 L461	V415-A443 HydrophobicContact CG2-CB 4Å; T439-A443 VanDerWaalsContact O-CB 3.25Å; T439-A443 WeakPolarHBondContact O-CB 3.39Å; T439-A443 PolarHBondContact O-N 3.24Å; L440-A443 PolarHBondContact O-N 3.4Å; A443-L445 VanDerWaalsContact C-N 3.33Å; A443-L445 PolarHBondContact O-N 3.02Å; A443-E446 PolarHBondContact O-N 2.98Å; A443-Y447 WeakPolarHBondContact O-CD2 3.21Å; A443-Y447 PolarHBondContact O-N 3.34Å; A443-L461 HydrophobicContact CB-CD1 4.35Å
444	I	83.2	Confident	78.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-56.2	-49.3	174.4	-69.4	165.6	0	0	0	110.2	L440 K442 E446 Y447 D448 L461 W465 F683	L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.28Å; L440-I444 PolarHBondContact O-N 3.46Å; K442-I444 VanDerWaalsContact C-N 3.35Å; I444-E446 VanDerWaalsContact C-N 3.33Å; I444-E446 PolarHBondContact O-N 3.41Å; I444-Y447 PolarHBondContact O-N 3.46Å; I444-D448 VanDerWaalsContact O-CB 3.24Å; I444-D448 WeakPolarHBondContact O-CB 3.31Å; I444-D448 PolarHBondContact O-N 2.99Å; I444-L461 HydrophobicContact CG1-CB 3.71Å; I444-W465 HydrophobicContact CD1-CB 3.51Å; I444-W465 HydrophobicContact CD1-CG 3.81Å; I444-F683 HydrophobicContact CB-CD1 4.42Å; I444-F683 HydrophobicContact CB-CE1 4.48Å; I444-F683 HydrophobicContact CD1-CE1 4.34Å; I444-F683 HydrophobicContact CD1-CE2 4.27Å; I444-F683 HydrophobicContact CD1-CZ 4Å; I444-F683 HydrophobicContact CG2-CB 3.89Å; I444-F683 HydrophobicContact CG2-CD1 3.67Å; I444-F683 HydrophobicContact CG2-CD2 3.95Å; I444-F683 HydrophobicContact CG2-CE1 4.1Å; I444-F683 HydrophobicContact CG2-CE2 4.39Å; I444-F683 HydrophobicContact CG2-CG 3.58Å; I444-F683 HydrophobicContact CG2-CZ 4.46Å
445	L	80.5	Confident	77.9	Confident	45 Å²	45	49.1 Å²	49.1	24%	0.236	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-35.7	179	-66.1	176.7	0	0	0	113.4	Y441 K442 A443 N449 F683	Y441-L445 HydrophobicContact CD1-CD1 4.02Å; Y441-L445 HydrophobicContact CE1-CD1 3.45Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.45Å; Y441-L445 HydrophobicContact CE1-CG 4.44Å; Y441-L445 HydrophobicContact CE2-CD1 4.47Å; Y441-L445 WeakPolarHBondContact O-CG 3.46Å; Y441-L445 PolarHBondContact O-N 3.1Å; K442-L445 PolarHBondContact O-N 3.04Å; A443-L445 VanDerWaalsContact C-N 3.33Å; A443-L445 PolarHBondContact O-N 3.02Å; L445-N449 PolarHBondContact O-N 2.76Å; L445-N449 PolarHBondContact O-ND2 2.87Å; L445-F683 HydrophobicContact CD2-CD1 4.17Å
446	E	82.6	Confident	77.2	Confident	130 Å²	130	50.9 Å²	50.9	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-64.1	-48.9	176.4	-172.5	-179.2	169.3	0	0	110.8	K442 A443 I444 N449 V450	K442-E446 PolarHBondContact O-N 3.35Å; A443-E446 PolarHBondContact O-N 2.98Å; I444-E446 VanDerWaalsContact C-N 3.33Å; I444-E446 PolarHBondContact O-N 3.41Å; E446-N449 PolarHBondContact O-N 3.5Å; E446-V450 WeakPolarHBondContact O-CG2 3.33Å
447	Y	77.3	Confident	76.7	Confident	52 Å²	52	51.5 Å²	51.5	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-74.9	-25.7	-179.9	-72.1	-73.4	0	0	0	113.7	V411 A443 I444 N449 V450 T457 L461	V411-Y447 HydrophobicContact CG1-CD2 4.34Å; V411-Y447 HydrophobicContact CG1-CE2 3.64Å; V411-Y447 HydrophobicContact CG2-CE1 4.24Å; A443-Y447 WeakPolarHBondContact O-CD2 3.21Å; A443-Y447 PolarHBondContact O-N 3.34Å; I444-Y447 PolarHBondContact O-N 3.46Å; Y447-N449 VanDerWaalsContact C-N 3.32Å; Y447-V450 PolarHBondContact O-N 3.12Å; Y447-T457 HydrophobicContact CD1-CG2 4.12Å; Y447-T457 HydrophobicContact CD2-CG2 4.44Å; Y447-T457 HydrophobicContact CE1-CG2 4.34Å; Y447-T457 HydrophobicContact CG-CG2 4.19Å; Y447-L461 HydrophobicContact CD2-CD1 3.41Å; Y447-L461 VanDerWaalsContact CD2-CD1 3.41Å; Y447-L461 HydrophobicContact CE2-CD1 4Å; Y447-L461 HydrophobicContact CG-CD1 4.17Å
448	D	74.3	Confident	76.3	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.08	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-40.3	171.7	-156.2	40.2	0	0	0	110.2	I444 V450 G451 C680 F683	I444-D448 VanDerWaalsContact O-CB 3.24Å; I444-D448 WeakPolarHBondContact O-CB 3.31Å; I444-D448 PolarHBondContact O-N 2.99Å; D448-V450 VanDerWaalsContact C-N 3.27Å; D448-V450 PolarHBondContact O-N 3.45Å; D448-G451 PolarHBondContact O-N 3.36Å; D448-C680 VanDerWaalsContact OD1-CB 3.24Å; D448-C680 WeakPolarHBondContact OD1-CB 3.36Å; D448-F683 PolarHBondContact OD2-N 3.23Å
449	N	68.7	Low	75.9	Confident	142 Å²	142	53 Å²	53	76%	0.759	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.6	177.5	-71.2	-45.9	0	0	0	114.2	L445 E446 Y447 G451	L445-N449 PolarHBondContact O-N 2.76Å; L445-N449 PolarHBondContact O-ND2 2.87Å; E446-N449 PolarHBondContact O-N 3.5Å; Y447-N449 VanDerWaalsContact C-N 3.32Å; N449-G451 VanDerWaalsContact C-N 3.33Å
450	V	73.3	Confident	75.6	Confident	96 Å²	96	53 Å²	53	58%	0.582	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.8	178.6	176.7	0	0	0	0	111.4	E446 Y447 D448	E446-V450 WeakPolarHBondContact O-CG2 3.33Å; Y447-V450 PolarHBondContact O-N 3.12Å; D448-V450 VanDerWaalsContact C-N 3.27Å; D448-V450 PolarHBondContact O-N 3.45Å
451	G	64.1	Low	75.4	Confident	21 Å²	21	53 Å²	53	22%	0.216	29%	0.289	C	S	.	.			trans	91.3	-160.1	173.1	0	0	0	0	0	115.6	D448 N449 A453 S454	D448-G451 PolarHBondContact O-N 3.36Å; N449-G451 VanDerWaalsContact C-N 3.33Å; G451-A453 VanDerWaalsContact C-N 3.3Å; G451-A453 PolarHBondContact O-N 3.23Å; G451-S454 PolarHBondContact O-N 3.38Å; G451-S454 VanDerWaalsContact O-N 3.11Å
452	E	59.8	Low	75.3	Confident	104 Å²	104	54.1 Å²	54.1	49%	0.486	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.1	-29.3	-166.7	-137.1	165.1	-155.1	0	0	114.4	S454 E455 T679	E452-S454 PolarHBondContact O-N 3.25Å; E452-S454 VanDerWaalsContact O-N 3.07Å; E452-E455 WeakPolarHBondContact CG-OE1 3.32Å; E452-E455 WeakPolarHBondContact O-CG 3.45Å; E452-E455 PolarHBondContact O-N 3.07Å; E452-T679 HydrophobicContact CB-CG2 4.5Å; E452-T679 HydrophobicContact CG-CG2 3.99Å; E452-T679 WeakPolarHBondContact OE1-CG2 3.46Å
453	A	59	Low	75.1	Confident	106 Å²	106	50.2 Å²	50.2	88%	0.876	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-64.8	-13.5	177.3	0	0	0	0	0	113.8	G451	G451-A453 VanDerWaalsContact C-N 3.3Å; G451-A453 PolarHBondContact O-N 3.23Å
454	S	64.3	Low	75	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.084	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-114.7	15.5	-176.4	-171	0	0	0	0	113.8	G451 E452 Q456 T457 V458	G451-S454 PolarHBondContact O-N 3.38Å; G451-S454 VanDerWaalsContact O-N 3.11Å; E452-S454 PolarHBondContact O-N 3.25Å; E452-S454 VanDerWaalsContact O-N 3.07Å; S454-Q456 VanDerWaalsContact C-N 3.32Å; S454-Q456 PolarHBondContact O-N 2.89Å; S454-T457 WeakPolarHBondContact O-CB 3.4Å; S454-T457 PolarHBondContact O-N 3.35Å; S454-T457 WeakPolarHBondContact OG-CB 3.3Å; S454-V458 WeakPolarHBondContact O-CG2 3.36Å; S454-V458 PolarHBondContact O-N 3.14Å
455	E	69.7	Low	75.1	Confident	38 Å²	38	49.9 Å²	49.9	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-42.2	-176.8	-77.9	-173	176.9	0	0	114.1	E452 T457 V458 S459 R652	E452-E455 WeakPolarHBondContact CG-OE1 3.32Å; E452-E455 WeakPolarHBondContact O-CG 3.45Å; E452-E455 PolarHBondContact O-N 3.07Å; E455-T457 PolarHBondContact O-N 3.43Å; E455-V458 PolarHBondContact O-N 3.13Å; E455-S459 WeakPolarHBondContact O-CB 3.4Å; E455-S459 PolarHBondContact O-N 2.69Å; E455-S459 PolarHBondContact O-OG 3.25Å; E455-R652 VanDerWaalsContact CD-NH1 3.31Å; E455-R652 IonicContact OE1-CZ 2.7Å; E455-R652 IonicContact OE1-NE 2.95Å; E455-R652 PolarHBondContact OE1-NE 3.12Å; E455-R652 IonicContact OE1-NH1 3.46Å; E455-R652 IonicContact OE1-NH2 2.92Å; E455-R652 PolarHBondContact OE1-NH2 2.96Å; E455-R652 IonicContact OE2-CZ 3.27Å; E455-R652 IonicContact OE2-NE 2.62Å; E455-R652 PolarHBondContact OE2-NE 3.23Å; E455-R652 VanDerWaalsContact OE2-NE 3.11Å; E455-R652 IonicContact OE2-NH1 3.01Å; E455-R652 PolarHBondContact OE2-NH1 3.35Å; E455-R652 IonicContact OE2-NH2 2.96Å; E455-R652 PolarHBondContact OE2-NH2 3.46Å
456	Q	71.4	Confident	75.2	Confident	103 Å²	103	48.2 Å²	48.2	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-30.4	177.6	-66.6	-65.8	-24.9	0	0	112.5	S454 S459 L460	S454-Q456 VanDerWaalsContact C-N 3.32Å; S454-Q456 PolarHBondContact O-N 2.89Å; Q456-S459 PolarHBondContact O-OG 2.81Å; Q456-L460 WeakPolarHBondContact O-CB 3.33Å; Q456-L460 PolarHBondContact O-N 3.31Å
457	T	77.2	Confident	75.2	Confident	13 Å²	13	44.7 Å²	44.7	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-78.9	-41.7	177	-54.2	0	0	0	0	110.8	V411 Y447 S454 E455 L460 L461	V411-T457 HydrophobicContact CB-CG2 3.95Å; V411-T457 HydrophobicContact CG1-CG2 3.5Å; V411-T457 VanDerWaalsContact CG1-CG2 3.5Å; V411-T457 HydrophobicContact CG2-CG2 3.71Å; Y447-T457 HydrophobicContact CD1-CG2 4.12Å; Y447-T457 HydrophobicContact CD2-CG2 4.44Å; Y447-T457 HydrophobicContact CE1-CG2 4.34Å; Y447-T457 HydrophobicContact CG-CG2 4.19Å; S454-T457 WeakPolarHBondContact O-CB 3.4Å; S454-T457 PolarHBondContact O-N 3.35Å; S454-T457 WeakPolarHBondContact OG-CB 3.3Å; E455-T457 PolarHBondContact O-N 3.43Å; T457-L460 PolarHBondContact O-N 3.07Å; T457-L461 HydrophobicContact CG2-CD1 4.15Å; T457-L461 HydrophobicContact CG2-CG 4.45Å; T457-L461 WeakPolarHBondContact O-CB 3.4Å; T457-L461 WeakPolarHBondContact O-CG 3.12Å; T457-L461 PolarHBondContact O-N 3.22Å
458	V	79.6	Confident	75.7	Confident	22 Å²	22	42.2 Å²	42.2	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-41	178.5	175.3	0	0	0	0	110.4	S454 E455 L460 L461 F462	S454-V458 WeakPolarHBondContact O-CG2 3.36Å; S454-V458 PolarHBondContact O-N 3.14Å; E455-V458 PolarHBondContact O-N 3.13Å; V458-L460 PolarHBondContact O-N 3.06Å; V458-L461 PolarHBondContact O-N 3.48Å; V458-F462 WeakPolarHBondContact O-CB 3.29Å; V458-F462 PolarHBondContact O-N 3.12Å
459	S	78.4	Confident	76.2	Confident	38 Å²	38	41.5 Å²	41.5	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-40.6	175.8	67.1	0	0	0	0	112.1	E455 Q456 S463	E455-S459 WeakPolarHBondContact O-CB 3.4Å; E455-S459 PolarHBondContact O-N 2.69Å; E455-S459 PolarHBondContact O-OG 3.25Å; Q456-S459 PolarHBondContact O-OG 2.81Å; S459-S463 WeakPolarHBondContact O-CB 3.28Å; S459-S463 PolarHBondContact O-N 3.18Å; S459-S463 PolarHBondContact O-OG 3.48Å
460	L	82.1	Confident	76.8	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-52.2	173.1	178.4	64.2	0	0	0	111.2	Y371 Q408 Q456 T457 V458 F462 S463 L464	Y371-L460 HydrophobicContact CD2-CD1 3.48Å; Y371-L460 VanDerWaalsContact CD2-CD1 3.48Å; Y371-L460 HydrophobicContact CD2-CD2 4.37Å; Y371-L460 HydrophobicContact CE2-CD1 3.88Å; Y371-L460 HydrophobicContact CE2-CD2 3.98Å; Y371-L460 HydrophobicContact CG-CD1 4.31Å; Q408-L460 HydrophobicContact CB-CD2 3.76Å; Q408-L460 HydrophobicContact CG-CD2 3.93Å; Q456-L460 WeakPolarHBondContact O-CB 3.33Å; Q456-L460 PolarHBondContact O-N 3.31Å; T457-L460 PolarHBondContact O-N 3.07Å; V458-L460 PolarHBondContact O-N 3.06Å; L460-F462 VanDerWaalsContact C-N 3.29Å; L460-F462 PolarHBondContact O-N 3.39Å; L460-S463 PolarHBondContact O-N 3.42Å; L460-S463 PolarHBondContact O-OG 3.23Å; L460-L464 HydrophobicContact CD1-CD1 3.69Å; L460-L464 HydrophobicContact CG-CD1 4.21Å; L460-L464 VanDerWaalsContact O-CD1 3.29Å; L460-L464 WeakPolarHBondContact O-CD1 3.38Å; L460-L464 PolarHBondContact O-N 3.37Å
461	L	82.9	Confident	77.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-36.8	-179.8	-70.6	177.1	0	0	0	112.3	V411 V415 A443 I444 Y447 T457 V458 L464 W465	V411-L461 HydrophobicContact CG1-CD1 4.02Å; V411-L461 HydrophobicContact CG1-CD2 4.14Å; V411-L461 HydrophobicContact CG1-CG 4.27Å; V415-L461 HydrophobicContact CG2-CD2 3.72Å; A443-L461 HydrophobicContact CB-CD1 4.35Å; I444-L461 HydrophobicContact CG1-CB 3.71Å; Y447-L461 HydrophobicContact CD2-CD1 3.41Å; Y447-L461 VanDerWaalsContact CD2-CD1 3.41Å; Y447-L461 HydrophobicContact CE2-CD1 4Å; Y447-L461 HydrophobicContact CG-CD1 4.17Å; T457-L461 HydrophobicContact CG2-CD1 4.15Å; T457-L461 HydrophobicContact CG2-CG 4.45Å; T457-L461 WeakPolarHBondContact O-CB 3.4Å; T457-L461 WeakPolarHBondContact O-CG 3.12Å; T457-L461 PolarHBondContact O-N 3.22Å; V458-L461 PolarHBondContact O-N 3.48Å; L461-L464 PolarHBondContact O-N 2.9Å; L461-W465 WeakPolarHBondContact O-CB 3.3Å; L461-W465 PolarHBondContact O-N 3Å
462	F	82.3	Confident	78.3	Confident	49 Å²	49	34 Å²	34	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-47.1	175.2	-177.9	-99.5	0	0	0	111.4	V458 L460 L464 W465 V466 V600 F683	V458-F462 WeakPolarHBondContact O-CB 3.29Å; V458-F462 PolarHBondContact O-N 3.12Å; L460-F462 VanDerWaalsContact C-N 3.29Å; L460-F462 PolarHBondContact O-N 3.39Å; F462-L464 VanDerWaalsContact C-N 3.31Å; F462-L464 PolarHBondContact O-N 3.28Å; F462-W465 PolarHBondContact O-N 3.32Å; F462-V466 HydrophobicContact CD1-CG2 4.06Å; F462-V466 HydrophobicContact CD2-CG2 4.49Å; F462-V466 HydrophobicContact CE1-CG2 3.68Å; F462-V466 HydrophobicContact CE2-CG2 4.16Å; F462-V466 HydrophobicContact CG-CG2 4.45Å; F462-V466 HydrophobicContact CZ-CG2 3.73Å; F462-V466 VanDerWaalsContact O-CG2 3.31Å; F462-V466 WeakPolarHBondContact O-CG2 3.23Å; F462-V466 PolarHBondContact O-N 3.16Å; F462-V600 HydrophobicContact CZ-CG1 4.37Å; F462-F683 AromaticContact CD2-CD2 3.71Å; F462-F683 HydrophobicContact CD2-CD2 3.71Å; F462-F683 AromaticContact CD2-CE2 3.54Å; F462-F683 HydrophobicContact CD2-CE2 3.54Å; F462-F683 AromaticContact CE2-CD2 3.82Å; F462-F683 HydrophobicContact CE2-CD2 3.82Å; F462-F683 AromaticContact CE2-CE2 3.59Å; F462-F683 HydrophobicContact CE2-CE2 3.59Å
463	S	80.5	Confident	79.3	Confident	42 Å²	42	29.1 Å²	29.1	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-40.4	177.2	66.7	0	0	0	0	111.9	S459 L460 E467	S459-S463 WeakPolarHBondContact O-CB 3.28Å; S459-S463 PolarHBondContact O-N 3.18Å; S459-S463 PolarHBondContact O-OG 3.48Å; L460-S463 PolarHBondContact O-N 3.42Å; L460-S463 PolarHBondContact O-OG 3.23Å; S463-E467 PolarHBondContact O-N 2.97Å
464	L	84.4	Confident	80.5	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-45.6	172.5	-96.2	69.4	0	0	0	112.4	F364 A367 L412 L440 L460 L461 F462 T468	F364-L464 HydrophobicContact CE2-CD2 4.15Å; A367-L464 HydrophobicContact CB-CD1 4.5Å; A367-L464 HydrophobicContact CB-CG 4.13Å; L412-L464 HydrophobicContact CD1-CD2 3.31Å; L440-L464 HydrophobicContact CD2-CB 4.5Å; L460-L464 HydrophobicContact CD1-CD1 3.69Å; L460-L464 HydrophobicContact CG-CD1 4.21Å; L460-L464 VanDerWaalsContact O-CD1 3.29Å; L460-L464 WeakPolarHBondContact O-CD1 3.38Å; L460-L464 PolarHBondContact O-N 3.37Å; L461-L464 PolarHBondContact O-N 2.9Å; F462-L464 VanDerWaalsContact C-N 3.31Å; F462-L464 PolarHBondContact O-N 3.28Å; L464-T468 VanDerWaalsContact O-CB 3.31Å; L464-T468 WeakPolarHBondContact O-CB 3.43Å; L464-T468 PolarHBondContact O-N 3.09Å; L464-T468 PolarHBondContact O-OG1 2.79Å
465	W	85.5	Confident	81.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-45	-179.8	178.5	87.9	0	0	0	111.9	I444 L461 F462 E467 T468 V469 F551 F596 F683 L687	I444-W465 HydrophobicContact CD1-CB 3.51Å; I444-W465 HydrophobicContact CD1-CG 3.81Å; L461-W465 WeakPolarHBondContact O-CB 3.3Å; L461-W465 PolarHBondContact O-N 3Å; F462-W465 PolarHBondContact O-N 3.32Å; W465-E467 PolarHBondContact O-N 3.08Å; W465-T468 PolarHBondContact O-N 3.22Å; W465-T468 VanDerWaalsContact O-N 3.15Å; W465-V469 HydrophobicContact CD2-CG1 3.96Å; W465-V469 HydrophobicContact CD2-CG2 4.4Å; W465-V469 VanDerWaalsContact CE2-CG1 3.45Å; W465-V469 HydrophobicContact CE3-CG2 4.2Å; W465-V469 HydrophobicContact CG-CG1 4.35Å; W465-V469 HydrophobicContact CH2-CG1 4.23Å; W465-V469 HydrophobicContact CH2-CG2 4.01Å; W465-V469 HydrophobicContact CZ2-CB 4.48Å; W465-V469 HydrophobicContact CZ2-CG1 3.63Å; W465-V469 HydrophobicContact CZ2-CG2 4.28Å; W465-V469 HydrophobicContact CZ3-CG2 4Å; W465-V469 WeakPolarHBondContact O-CG2 3.34Å; W465-V469 PolarHBondContact O-N 3.34Å; W465-F551 AromaticContact CZ2-CD1 3.95Å; W465-F551 HydrophobicContact CZ2-CD1 3.95Å; W465-F551 HydrophobicContact CZ2-CD2 4.12Å; W465-F551 AromaticContact CZ2-CE1 3.94Å; W465-F551 HydrophobicContact CZ2-CE1 3.94Å; W465-F551 HydrophobicContact CZ2-CE2 4.13Å; W465-F551 HydrophobicContact CZ2-CG 4.05Å; W465-F551 HydrophobicContact CZ2-CZ 4.06Å; W465-F596 HydrophobicContact CZ3-CE1 4.24Å; W465-F596 HydrophobicContact CZ3-CZ 4.06Å; W465-F683 HydrophobicContact CD2-CE2 4.34Å; W465-F683 AromaticContact CD2-CZ 3.82Å; W465-F683 HydrophobicContact CD2-CZ 3.82Å; W465-F683 AromaticContact CE2-CZ 3.88Å; W465-F683 HydrophobicContact CE3-CE2 4.03Å; W465-F683 AromaticContact CE3-CZ 3.92Å; W465-F683 HydrophobicContact CE3-CZ 3.92Å; W465-F683 HydrophobicContact CG-CZ 4.41Å; W465-F683 HydrophobicContact CH2-CZ 4.27Å; W465-F683 HydrophobicContact CZ2-CZ 4.11Å; W465-F683 HydrophobicContact CZ3-CE2 4.24Å; W465-F683 HydrophobicContact CZ3-CZ 4.16Å; W465-L687 HydrophobicContact CH2-CD1 4.42Å; W465-L687 HydrophobicContact CH2-CD2 3.42Å; W465-L687 VanDerWaalsContact CH2-CD2 3.42Å; W465-L687 HydrophobicContact CZ2-CD1 4.44Å; W465-L687 HydrophobicContact CZ2-CD2 4.21Å; W465-L687 HydrophobicContact CZ3-CD2 4.01Å
466	V	81.8	Confident	82.1	Confident	10 Å²	10	27.1 Å²	27.1	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-57.1	-48	179.3	167.6	0	0	0	0	111.2	F462 V469 R470 Y593 F596 L597	F462-V466 HydrophobicContact CD1-CG2 4.06Å; F462-V466 HydrophobicContact CD2-CG2 4.49Å; F462-V466 HydrophobicContact CE1-CG2 3.68Å; F462-V466 HydrophobicContact CE2-CG2 4.16Å; F462-V466 HydrophobicContact CG-CG2 4.45Å; F462-V466 HydrophobicContact CZ-CG2 3.73Å; F462-V466 VanDerWaalsContact O-CG2 3.31Å; F462-V466 WeakPolarHBondContact O-CG2 3.23Å; F462-V466 PolarHBondContact O-N 3.16Å; V466-V469 VanDerWaalsContact O-CG2 3.32Å; V466-V469 WeakPolarHBondContact O-CG2 3.41Å; V466-R470 PolarHBondContact O-N 3.27Å; V466-Y593 HydrophobicContact CG1-CE2 4.08Å; V466-Y593 WeakPolarHBondContact CG1-OH 3.29Å; V466-Y593 WeakPolarHBondContact O-CE2 3.47Å; V466-F596 HydrophobicContact CG2-CE1 4.36Å; V466-L597 HydrophobicContact CG1-CD2 3.82Å
467	E	83.4	Confident	82.7	Confident	56 Å²	56	23.1 Å²	23.1	26%	0.262	12%	0.119	S	C	.	.	H	α-helix	trans	-68.6	-37.4	177.5	-70.1	-59	158	0	0	112	A363 A367 S463 W465 V469 R470 Y593	A363-E467 WeakPolarHBondContact CB-O 3.4Å; A367-E467 HydrophobicContact CB-CB 3.9Å; A367-E467 HydrophobicContact CB-CG 4.49Å; S463-E467 PolarHBondContact O-N 2.97Å; W465-E467 PolarHBondContact O-N 3.08Å; E467-V469 PolarHBondContact O-N 2.87Å; E467-R470 VanDerWaalsContact CD-NH2 3.28Å; E467-R470 VanDerWaalsContact O-CB 3.24Å; E467-R470 WeakPolarHBondContact O-CB 3.47Å; E467-R470 PolarHBondContact O-N 2.91Å; E467-R470 IonicContact OE1-CZ 2.63Å; E467-R470 IonicContact OE1-NH2 3.37Å; E467-R470 PolarHBondContact OE1-NH2 3.25Å; E467-R470 IonicContact OE2-CZ 2.71Å; E467-R470 VanDerWaalsContact OE2-CZ 3.23Å; E467-R470 IonicContact OE2-NE 2.88Å; E467-R470 PolarHBondContact OE2-NE 3.28Å; E467-R470 IonicContact OE2-NH2 2.99Å; E467-R470 PolarHBondContact OE2-NH2 2.83Å; E467-Y593 PolarHBondContact OE1-OH 3.48Å
468	T	86.3	Confident	83.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.5	-32.6	-179.5	-52.2	0	0	0	0	113.1	T360 F364 L436 L437 L440 L464 W465 P471	T360-T468 HydrophobicContact CG2-CG2 3.97Å; F364-T468 HydrophobicContact CB-CG2 3.95Å; F364-T468 HydrophobicContact CD2-CG2 4.45Å; L436-T468 HydrophobicContact CD2-CG2 4.21Å; L437-T468 HydrophobicContact CD2-CG2 3.78Å; L440-T468 HydrophobicContact CD1-CG2 3.92Å; L464-T468 VanDerWaalsContact O-CB 3.31Å; L464-T468 WeakPolarHBondContact O-CB 3.43Å; L464-T468 PolarHBondContact O-N 3.09Å; L464-T468 PolarHBondContact O-OG1 2.79Å; W465-T468 PolarHBondContact O-N 3.22Å; W465-T468 VanDerWaalsContact O-N 3.15Å; T468-P471 WeakPolarHBondContact O-CD 3.33Å
469	V	85	Confident	83.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-80.1	-14.5	177.9	-64.8	0	0	0	0	113.9	L437 W465 V466 E467 Y472 L473 F551	L437-V469 HydrophobicContact CD2-CG1 3.68Å; W465-V469 HydrophobicContact CD2-CG1 3.96Å; W465-V469 HydrophobicContact CD2-CG2 4.4Å; W465-V469 VanDerWaalsContact CE2-CG1 3.45Å; W465-V469 HydrophobicContact CE3-CG2 4.2Å; W465-V469 HydrophobicContact CG-CG1 4.35Å; W465-V469 HydrophobicContact CH2-CG1 4.23Å; W465-V469 HydrophobicContact CH2-CG2 4.01Å; W465-V469 HydrophobicContact CZ2-CB 4.48Å; W465-V469 HydrophobicContact CZ2-CG1 3.63Å; W465-V469 HydrophobicContact CZ2-CG2 4.28Å; W465-V469 HydrophobicContact CZ3-CG2 4Å; W465-V469 WeakPolarHBondContact O-CG2 3.34Å; W465-V469 PolarHBondContact O-N 3.34Å; V466-V469 VanDerWaalsContact O-CG2 3.32Å; V466-V469 WeakPolarHBondContact O-CG2 3.41Å; E467-V469 PolarHBondContact O-N 2.87Å; V469-Y472 WeakPolarHBondContact O-CA 3.42Å; V469-Y472 WeakPolarHBondContact O-CB 3.21Å; V469-Y472 PolarHBondContact O-N 2.73Å; V469-L473 HydrophobicContact CG2-CD1 4.1Å; V469-L473 PolarHBondContact O-N 3.49Å; V469-F551 HydrophobicContact CB-CZ 4.47Å; V469-F551 HydrophobicContact CG1-CE1 3.92Å; V469-F551 HydrophobicContact CG1-CZ 3.77Å
470	R	82.5	Confident	83.6	Confident	86 Å²	86	23.1 Å²	23.1	33%	0.325	11%	0.112	S	C	.	.	H	α-helix	trans	-46.3	-55	-179.6	-175.5	-170.5	-70.9	-116.7	3.9	113.6	V466 E467 Y472 L473 Q474 Y593	V466-R470 PolarHBondContact O-N 3.27Å; E467-R470 VanDerWaalsContact CD-NH2 3.28Å; E467-R470 VanDerWaalsContact O-CB 3.24Å; E467-R470 WeakPolarHBondContact O-CB 3.47Å; E467-R470 PolarHBondContact O-N 2.91Å; E467-R470 IonicContact OE1-CZ 2.63Å; E467-R470 IonicContact OE1-NH2 3.37Å; E467-R470 PolarHBondContact OE1-NH2 3.25Å; E467-R470 IonicContact OE2-CZ 2.71Å; E467-R470 VanDerWaalsContact OE2-CZ 3.23Å; E467-R470 IonicContact OE2-NE 2.88Å; E467-R470 PolarHBondContact OE2-NE 3.28Å; E467-R470 IonicContact OE2-NH2 2.99Å; E467-R470 PolarHBondContact OE2-NH2 2.83Å; R470-Y472 VanDerWaalsContact C-N 3.26Å; R470-Y472 PolarHBondContact O-N 3.16Å; R470-L473 PolarHBondContact O-N 3.37Å; R470-Q474 WeakPolarHBondContact O-CG 3.34Å; R470-Q474 PolarHBondContact O-N 3.46Å; R470-Y593 HydrophobicContact CB-CD2 4.15Å; R470-Y593 HydrophobicContact CB-CE2 3.8Å; R470-Y593 HydrophobicContact CG-CD1 4.29Å; R470-Y593 HydrophobicContact CG-CD2 4.14Å; R470-Y593 HydrophobicContact CG-CE1 4.17Å; R470-Y593 HydrophobicContact CG-CE2 4.02Å; R470-Y593 HydrophobicContact CG-CG 4.27Å; R470-Y593 PolarHBondContact NE-OH 3.13Å; R470-Y593 PolarHBondContact NH2-OH 2.94Å; R470-Y593 VanDerWaalsContact NH2-OH 3.08Å
471	P	84.4	Confident	83.5	Confident	12 Å²	12	23 Å²	23	8%	0.078	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-32.4	179.5	24.8	-35.5	0	0	0	113	R359 A363 T468 T475	R359-P471 HydrophobicContact CB-CB 3.92Å; A363-P471 HydrophobicContact CB-CG 3.89Å; T468-P471 WeakPolarHBondContact O-CD 3.33Å; P471-T475 PolarHBondContact O-N 2.91Å; P471-T475 VanDerWaalsContact O-N 3.1Å; P471-T475 PolarHBondContact O-OG1 3.43Å
472	Y	83.3	Confident	83.2	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-68.8	-44.6	178.3	-126.2	-102.3	0	0	0	111.4	A433 L437 V469 R470 T475 V476 E491 F492 I493 V549 L552	A433-Y472 HydrophobicContact CB-CE2 4.31Å; L437-Y472 HydrophobicContact CD1-CD1 4.16Å; L437-Y472 HydrophobicContact CD1-CD2 3.82Å; L437-Y472 HydrophobicContact CD1-CE1 4.38Å; L437-Y472 HydrophobicContact CD1-CE2 4.08Å; L437-Y472 HydrophobicContact CD1-CG 3.87Å; V469-Y472 WeakPolarHBondContact O-CA 3.42Å; V469-Y472 WeakPolarHBondContact O-CB 3.21Å; V469-Y472 PolarHBondContact O-N 2.73Å; R470-Y472 VanDerWaalsContact C-N 3.26Å; R470-Y472 PolarHBondContact O-N 3.16Å; Y472-T475 PolarHBondContact O-N 3.17Å; Y472-V476 WeakPolarHBondContact O-CG2 3.19Å; Y472-V476 PolarHBondContact O-N 3.12Å; Y472-V476 VanDerWaalsContact O-N 3.12Å; Y472-E491 HydrophobicContact CE2-CB 4.48Å; Y472-E491 WeakPolarHBondContact CE2-O 3.43Å; Y472-E491 PolarHBondContact OH-O 3.34Å; Y472-F492 HydrophobicContact CD1-CD2 4Å; Y472-F492 AromaticContact CD1-CE2 3.95Å; Y472-F492 HydrophobicContact CD1-CE2 3.95Å; Y472-F492 AromaticContact CE1-CD2 3.63Å; Y472-F492 HydrophobicContact CE1-CD2 3.63Å; Y472-F492 AromaticContact CE1-CE2 3.82Å; Y472-F492 HydrophobicContact CE1-CE2 3.82Å; Y472-F492 HydrophobicContact CE2-CD2 4.44Å; Y472-F492 AromaticContact CZ-CD2 3.88Å; Y472-F492 WeakPolarHBondContact OH-CA 3.32Å; Y472-I493 PolarHBondContact OH-N 3.27Å; Y472-V549 HydrophobicContact CE1-CG2 4.13Å; Y472-L552 HydrophobicContact CD1-CD1 4.24Å; Y472-L552 HydrophobicContact CE1-CD1 4.47Å
473	L	81.9	Confident	82.8	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-34.6	177.2	-68.8	-176.8	0	0	0	112.7	V469 R470 T475 V476 D477 Y593 L691	V469-L473 HydrophobicContact CG2-CD1 4.1Å; V469-L473 PolarHBondContact O-N 3.49Å; R470-L473 PolarHBondContact O-N 3.37Å; L473-T475 VanDerWaalsContact C-N 3.32Å; L473-V476 PolarHBondContact O-N 3.49Å; L473-D477 WeakPolarHBondContact O-CB 3.45Å; L473-D477 PolarHBondContact O-N 3.33Å; L473-Y593 HydrophobicContact CD1-CD2 4.27Å; L473-L691 HydrophobicContact CD1-CD1 4.38Å; L473-L691 HydrophobicContact CD2-CD1 4.35Å; L473-L691 HydrophobicContact CD2-CD2 4.28Å
474	Q	83.5	Confident	82.6	Confident	93 Å²	93	25.4 Å²	25.4	44%	0.435	12%	0.12	S	C	.	.	H	α-helix	trans	-62	-41.1	171.7	-74.8	175.8	-15.2	0	0	111.7	R470 V476 D477 E478	R470-Q474 WeakPolarHBondContact O-CG 3.34Å; R470-Q474 PolarHBondContact O-N 3.46Å; Q474-V476 VanDerWaalsContact C-N 3.32Å; Q474-V476 PolarHBondContact O-N 3.36Å; Q474-D477 PolarHBondContact O-N 2.99Å; Q474-E478 WeakPolarHBondContact O-CB 3.31Å; Q474-E478 PolarHBondContact O-N 3Å
475	T	84.1	Confident	82.3	Confident	20 Å²	20	26.3 Å²	26.3	12%	0.123	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-38.6	176.1	-54.5	0	0	0	0	111.6	P471 Y472 L473 W479 L485 F492	P471-T475 PolarHBondContact O-N 2.91Å; P471-T475 VanDerWaalsContact O-N 3.1Å; P471-T475 PolarHBondContact O-OG1 3.43Å; Y472-T475 PolarHBondContact O-N 3.17Å; L473-T475 VanDerWaalsContact C-N 3.32Å; T475-W479 WeakPolarHBondContact O-CB 3.41Å; T475-W479 PolarHBondContact O-N 3.39Å; T475-W479 VanDerWaalsContact O-N 3.13Å; T475-L485 HydrophobicContact CG2-CD1 4.04Å; T475-F492 HydrophobicContact CG2-CD2 4.17Å; T475-F492 HydrophobicContact CG2-CG 4.21Å
476	V	84	Confident	81.6	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-46.6	174.5	170.9	0	0	0	0	111.4	Y472 L473 Q474 W479 I480 F492 I559 L592	Y472-V476 WeakPolarHBondContact O-CG2 3.19Å; Y472-V476 PolarHBondContact O-N 3.12Å; Y472-V476 VanDerWaalsContact O-N 3.12Å; L473-V476 PolarHBondContact O-N 3.49Å; Q474-V476 VanDerWaalsContact C-N 3.32Å; Q474-V476 PolarHBondContact O-N 3.36Å; V476-W479 PolarHBondContact O-N 3Å; V476-I480 HydrophobicContact CG1-CD1 3.67Å; V476-I480 HydrophobicContact CG1-CG1 4.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.27Å; V476-I480 PolarHBondContact O-N 2.83Å; V476-F492 HydrophobicContact CG2-CE2 3.67Å; V476-F492 HydrophobicContact CG2-CZ 3.66Å; V476-I559 HydrophobicContact CG1-CD1 4.12Å; V476-I559 HydrophobicContact CG1-CG1 4.32Å; V476-I559 HydrophobicContact CG1-CG2 3.9Å; V476-L592 HydrophobicContact CG1-CD1 4.28Å
477	D	84.2	Confident	81.3	Confident	19 Å²	19	36 Å²	36	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-48.6	179.3	-165.6	25.1	0	0	0	111	L473 Q474 W479 I480 V481 S591 L592	L473-D477 WeakPolarHBondContact O-CB 3.45Å; L473-D477 PolarHBondContact O-N 3.33Å; Q474-D477 PolarHBondContact O-N 2.99Å; D477-W479 PolarHBondContact O-N 3.34Å; D477-I480 PolarHBondContact O-N 2.86Å; D477-V481 WeakPolarHBondContact O-CB 3.45Å; D477-V481 VanDerWaalsContact O-CG2 3.31Å; D477-V481 WeakPolarHBondContact O-CG2 3.45Å; D477-V481 PolarHBondContact O-N 3.32Å; D477-S591 WeakPolarHBondContact OD2-CA 3.35Å; D477-S591 WeakPolarHBondContact OD2-CB 3.33Å; D477-L592 HydrophobicContact CB-CB 4.12Å; D477-L592 HydrophobicContact CB-CD1 3.85Å; D477-L592 HydrophobicContact CB-CG 4.05Å; D477-L592 WeakPolarHBondContact OD1-CG 3.42Å; D477-L592 PolarHBondContact OD2-N 2.95Å
478	E	84.8	Confident	80.3	Confident	72 Å²	72	35.3 Å²	35.3	34%	0.336	17%	0.171	S	C	.	.	H	α-helix	trans	-57.5	-40.4	177.9	-164.2	68.9	179.7	0	0	111.6	Q474 H482 H484	Q474-E478 WeakPolarHBondContact O-CB 3.31Å; Q474-E478 PolarHBondContact O-N 3Å; E478-H482 WeakPolarHBondContact O-CA 3.37Å; E478-H482 VanDerWaalsContact O-CB 3.24Å; E478-H482 WeakPolarHBondContact O-CB 3.42Å; E478-H482 PolarHBondContact O-N 3.47Å; E478-H482 PolarHBondContact O-ND1 3.16Å; E478-H482 IonicContact OE1-CE1 3.61Å; E478-H482 IonicContact OE1-CG 3.3Å; E478-H482 IonicContact OE1-ND1 2.77Å; E478-H482 PolarHBondContact OE1-ND1 3.03Å; E478-H482 IonicContact OE2-CE1 3.54Å; E478-H482 PolarHBondContact OE2-CE1 3.16Å; E478-H482 IonicContact OE2-ND1 2.78Å; E478-H482 PolarHBondContact OE2-ND1 2.85Å; E478-H484 IonicContact OE1-CE1 2.66Å; E478-H484 PolarHBondContact OE1-CE1 3.33Å; E478-H484 IonicContact OE1-NE2 3.56Å
479	W	85.8	Confident	79.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-73.4	-40.5	179.3	-174.1	36.6	0	0	0	113.4	T475 V476 D477 G483 L485 F492 I494 Y512 I559 I560	T475-W479 WeakPolarHBondContact O-CB 3.41Å; T475-W479 PolarHBondContact O-N 3.39Å; T475-W479 VanDerWaalsContact O-N 3.13Å; V476-W479 PolarHBondContact O-N 3Å; D477-W479 PolarHBondContact O-N 3.34Å; W479-G483 WeakPolarHBondContact O-CA 3.5Å; W479-G483 PolarHBondContact O-N 2.97Å; W479-L485 HydrophobicContact CB-CD1 4.26Å; W479-L485 HydrophobicContact CD2-CD1 4.24Å; W479-L485 HydrophobicContact CE3-CD1 4.49Å; W479-L485 HydrophobicContact CG-CB 4.2Å; W479-L485 HydrophobicContact CG-CD1 4.14Å; W479-F492 HydrophobicContact CE3-CE1 4.32Å; W479-F492 HydrophobicContact CZ3-CE1 4.43Å; W479-I494 HydrophobicContact CE3-CD1 4.44Å; W479-I494 HydrophobicContact CH2-CD1 3.76Å; W479-I494 HydrophobicContact CH2-CG2 4.01Å; W479-I494 HydrophobicContact CZ3-CD1 3.39Å; W479-I494 HydrophobicContact CZ3-CG2 4.48Å; W479-Y512 AromaticContact CE2-CE1 3.96Å; W479-Y512 AromaticContact CE2-CZ 3.87Å; W479-Y512 HydrophobicContact CH2-CD1 4.43Å; W479-Y512 AromaticContact CZ2-CD1 3.86Å; W479-Y512 HydrophobicContact CZ2-CD1 3.86Å; W479-Y512 HydrophobicContact CZ2-CD2 4.11Å; W479-Y512 AromaticContact CZ2-CE1 3.63Å; W479-Y512 HydrophobicContact CZ2-CE1 3.63Å; W479-Y512 AromaticContact CZ2-CE2 3.9Å; W479-Y512 HydrophobicContact CZ2-CE2 3.9Å; W479-Y512 HydrophobicContact CZ2-CG 4.07Å; W479-Y512 AromaticContact CZ2-CZ 3.65Å; W479-Y512 AromaticContact NE1-CE1 3.97Å; W479-Y512 AromaticContact NE1-CZ 3.57Å; W479-Y512 PolarHBondContact NE1-OH 3.09Å; W479-Y512 VanDerWaalsContact NE1-OH 3.16Å; W479-I559 HydrophobicContact CE3-CG2 3.89Å; W479-I559 HydrophobicContact CZ3-CG2 3.77Å; W479-I560 HydrophobicContact CH2-CB 4.27Å; W479-I560 HydrophobicContact CH2-CG1 4.08Å; W479-I560 HydrophobicContact CZ3-CG1 4.39Å
480	I	83.3	Confident	78.6	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-38.6	178.6	-71.2	177.6	0	0	0	111	V476 D477 I559 A562 M566 L592 Q698	V476-I480 HydrophobicContact CG1-CD1 3.67Å; V476-I480 HydrophobicContact CG1-CG1 4.29Å; V476-I480 WeakPolarHBondContact O-CG1 3.27Å; V476-I480 PolarHBondContact O-N 2.83Å; D477-I480 PolarHBondContact O-N 2.86Å; I480-I559 HydrophobicContact CD1-CG1 4.3Å; I480-I559 HydrophobicContact CD1-CG2 4.18Å; I480-I559 HydrophobicContact CG1-CG2 4.32Å; I480-A562 HydrophobicContact CG1-CB 4.23Å; I480-A562 HydrophobicContact CG2-CB 4.24Å; I480-M566 WeakPolarHBondContact O-CB 3.21Å; I480-M566 WeakPolarHBondContact O-CG 3.48Å; I480-L592 HydrophobicContact CD1-CD1 4.34Å; I480-Q698 HydrophobicContact CG2-CB 3.81Å; I480-Q698 HydrophobicContact CG2-CG 4.47Å
481	V	79.6	Confident	78.4	Confident	12 Å²	12	40.4 Å²	40.4	7%	0.073	19%	0.192	C	C	.	.	H	α-helix	trans	-88.1	-48.1	-174.1	-179.7	0	0	0	0	112.3	D477 M566	D477-V481 WeakPolarHBondContact O-CB 3.45Å; D477-V481 VanDerWaalsContact O-CG2 3.31Å; D477-V481 WeakPolarHBondContact O-CG2 3.45Å; D477-V481 PolarHBondContact O-N 3.32Å; V481-M566 VanDerWaalsContact O-CG 3.26Å; V481-M566 WeakPolarHBondContact O-CG 3.3Å; V481-M566 VanDerWaalsContact O-SD 3.42Å
482	H	76.6	Confident	78.2	Confident	59 Å²	59	40.3 Å²	40.3	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-95.2	-14.5	-174.2	-54.7	99.3	0	0	0	112.7	E478 H484	E478-H482 WeakPolarHBondContact O-CA 3.37Å; E478-H482 VanDerWaalsContact O-CB 3.24Å; E478-H482 WeakPolarHBondContact O-CB 3.42Å; E478-H482 PolarHBondContact O-N 3.47Å; E478-H482 PolarHBondContact O-ND1 3.16Å; E478-H482 IonicContact OE1-CE1 3.61Å; E478-H482 IonicContact OE1-CG 3.3Å; E478-H482 IonicContact OE1-ND1 2.77Å; E478-H482 PolarHBondContact OE1-ND1 3.03Å; E478-H482 IonicContact OE2-CE1 3.54Å; E478-H482 PolarHBondContact OE2-CE1 3.16Å; E478-H482 IonicContact OE2-ND1 2.78Å; E478-H482 PolarHBondContact OE2-ND1 2.85Å; H482-H484 VanDerWaalsContact CB-CD2 3.44Å; H482-H484 WeakPolarHBondContact CB-CD2 3.05Å; H482-H484 WeakPolarHBondContact CB-NE2 3.13Å; H482-H484 AromaticContact CG-NE2 3.87Å; H482-H484 PolarHBondContact O-N 3.22Å
483	G	74.7	Confident	78	Confident	3 Å²	3	40.4 Å²	40.4	3%	0.031	19%	0.191	C	C	.	.	S	Bend	trans	73.3	8.3	178.9	0	0	0	0	0	113.8	W479 Q567	W479-G483 WeakPolarHBondContact O-CA 3.5Å; W479-G483 PolarHBondContact O-N 2.97Å; G483-Q567 VanDerWaalsContact O-CB 3.25Å; G483-Q567 WeakPolarHBondContact O-CB 3.37Å; G483-Q567 VanDerWaalsContact O-CG 3.24Å; G483-Q567 WeakPolarHBondContact O-CG 3.22Å
484	H	76.6	Confident	77.9	Confident	81 Å²	81	40.4 Å²	40.4	38%	0.375	19%	0.191	S	C	.	.			trans	-113.6	120.8	174.7	57.9	70.9	0	0	0	111.2	E478 H482 W486	E478-H484 IonicContact OE1-CE1 2.66Å; E478-H484 PolarHBondContact OE1-CE1 3.33Å; E478-H484 IonicContact OE1-NE2 3.56Å; H482-H484 VanDerWaalsContact CB-CD2 3.44Å; H482-H484 WeakPolarHBondContact CB-CD2 3.05Å; H482-H484 WeakPolarHBondContact CB-NE2 3.13Å; H482-H484 AromaticContact CG-NE2 3.87Å; H482-H484 PolarHBondContact O-N 3.22Å; H484-W486 PolarHBondContact O-N 2.93Å
485	L	77.8	Confident	77.4	Confident	22 Å²	22	40.4 Å²	40.4	12%	0.115	19%	0.191	C	C	.	.			trans	-78.9	104.9	172	-176.4	67.9	0	0	0	109.3	T475 W479 F492 I494 R496 Y512	T475-L485 HydrophobicContact CG2-CD1 4.04Å; W479-L485 HydrophobicContact CB-CD1 4.26Å; W479-L485 HydrophobicContact CD2-CD1 4.24Å; W479-L485 HydrophobicContact CE3-CD1 4.49Å; W479-L485 HydrophobicContact CG-CB 4.2Å; W479-L485 HydrophobicContact CG-CD1 4.14Å; L485-F492 HydrophobicContact CD1-CD1 3.57Å; L485-F492 HydrophobicContact CD1-CE1 3.75Å; L485-F492 HydrophobicContact CD1-CG 4.42Å; L485-F492 HydrophobicContact CD2-CD1 4.29Å; L485-I494 HydrophobicContact CD2-CG2 4.32Å; L485-I494 WeakPolarHBondContact CD2-O 3.4Å; L485-R496 HydrophobicContact CD2-CB 4.38Å; L485-Y512 HydrophobicContact CB-CE1 4.2Å; L485-Y512 HydrophobicContact CD2-CD1 4.48Å; L485-Y512 HydrophobicContact CD2-CE1 4.09Å
486	W	69.6	Low	76.9	Confident	167 Å²	167	44.1 Å²	44.1	63%	0.633	20%	0.203	S	C	*	.			trans	-100.8	99.9	174.4	-172.2	-100.4	0	0	0	110.6	H484	H484-W486 PolarHBondContact O-N 2.93Å
487	D	76.4	Confident	76.3	Confident	48 Å²	48	46.8 Å²	46.8	26%	0.257	22%	0.217	S	C	.	.			trans	-126.7	89.3	175.4	-177.4	8.1	0	0	0	109.9	A489 R490 E491 F492	D487-A489 VanDerWaalsContact C-N 3.35Å; D487-A489 PolarHBondContact OD1-N 2.96Å; D487-R490 WeakPolarHBondContact OD1-CA 3.21Å; D487-R490 PolarHBondContact OD1-N 2.71Å; D487-R490 VanDerWaalsContact OD2-C 3.27Å; D487-R490 WeakPolarHBondContact OD2-CA 3.46Å; D487-E491 PolarHBondContact OD1-N 2.95Å; D487-E491 PolarHBondContact OD2-N 3.28Å; D487-F492 HydrophobicContact CB-CB 4.3Å; D487-F492 VanDerWaalsContact OD2-CB 3.28Å; D487-F492 WeakPolarHBondContact OD2-CB 3.39Å; D487-F492 PolarHBondContact OD2-N 3.35Å
488	G	62.6	Low	75.3	Confident	40 Å²	40	54.8 Å²	54.8	41%	0.412	25%	0.251	S	S	.	.	S	Bend	trans	-71.1	-27.5	-179.4	0	0	0	0	0	113.8	A356	A356-G488 VanDerWaalsContact CB-O 3.31Å; A356-G488 WeakPolarHBondContact CB-O 3.5Å
489	A	62.7	Low	74	Confident	3 Å²	3	58.2 Å²	58.2	3%	0.025	27%	0.271	C	S	.	.	S	Bend	trans	-100.9	-2.8	-174.8	0	0	0	0	0	113.5	A356 N429 D487 E491	A356-A489 HydrophobicContact CB-CB 4.34Å; N429-A489 WeakPolarHBondContact CB-O 3.37Å; N429-A489 PolarHBondContact ND2-O 3.08Å; D487-A489 VanDerWaalsContact C-N 3.35Å; D487-A489 PolarHBondContact OD1-N 2.96Å; A489-E491 VanDerWaalsContact C-N 3.3Å; A489-E491 HydrophobicContact CB-CG 3.78Å; A489-E491 PolarHBondContact O-N 3.06Å
490	R	71.9	Confident	73	Confident	179 Å²	179	59 Å²	59	68%	0.675	28%	0.276	S	S	*	.	S	Bend	trans	56.3	43.4	-175.3	-57.8	-176.2	-177.3	-174.4	3.4	112	V430 D487	V430-R490 WeakPolarHBondContact CB-O 3.43Å; V430-R490 PolarHBondContact N-O 3.06Å; V430-R490 VanDerWaalsContact N-O 3.17Å; D487-R490 WeakPolarHBondContact OD1-CA 3.21Å; D487-R490 PolarHBondContact OD1-N 2.71Å; D487-R490 VanDerWaalsContact OD2-C 3.27Å; D487-R490 WeakPolarHBondContact OD2-CA 3.46Å
491	E	79.1	Confident	72.3	Confident	11 Å²	11	62.6 Å²	62.6	5%	0.051	30%	0.299	C	S	.	.			trans	-92.7	-20.1	-179.4	-69.1	-178.2	-178.5	0	0	113	F358 R359 T360 A433 Y472 D487 A489	F358-E491 WeakPolarHBondContact CA-OE1 3.36Å; R359-E491 PolarHBondContact N-OE1 2.95Å; T360-E491 WeakPolarHBondContact CB-OE2 3.42Å; T360-E491 PolarHBondContact N-OE2 2.9Å; T360-E491 VanDerWaalsContact N-OE2 3.08Å; T360-E491 PolarHBondContact OG1-OE2 3.42Å; A433-E491 HydrophobicContact CB-CB 4.14Å; A433-E491 HydrophobicContact CB-CG 4.35Å; Y472-E491 HydrophobicContact CE2-CB 4.48Å; Y472-E491 WeakPolarHBondContact CE2-O 3.43Å; Y472-E491 PolarHBondContact OH-O 3.34Å; D487-E491 PolarHBondContact OD1-N 2.95Å; D487-E491 PolarHBondContact OD2-N 3.28Å; A489-E491 VanDerWaalsContact C-N 3.3Å; A489-E491 HydrophobicContact CB-CG 3.78Å; A489-E491 PolarHBondContact O-N 3.06Å
492	F	81	Confident	71.5	Confident	10 Å²	10	62.8 Å²	62.8	4%	0.044	30%	0.301	C	S	.	.	S	Bend	trans	-84.9	139.4	-171.1	-160.8	-118.3	0	0	0	112.3	Y472 T475 V476 W479 L485 D487 I494	Y472-F492 HydrophobicContact CD1-CD2 4Å; Y472-F492 AromaticContact CD1-CE2 3.95Å; Y472-F492 HydrophobicContact CD1-CE2 3.95Å; Y472-F492 AromaticContact CE1-CD2 3.63Å; Y472-F492 HydrophobicContact CE1-CD2 3.63Å; Y472-F492 AromaticContact CE1-CE2 3.82Å; Y472-F492 HydrophobicContact CE1-CE2 3.82Å; Y472-F492 HydrophobicContact CE2-CD2 4.44Å; Y472-F492 AromaticContact CZ-CD2 3.88Å; Y472-F492 WeakPolarHBondContact OH-CA 3.32Å; T475-F492 HydrophobicContact CG2-CD2 4.17Å; T475-F492 HydrophobicContact CG2-CG 4.21Å; V476-F492 HydrophobicContact CG2-CE2 3.67Å; V476-F492 HydrophobicContact CG2-CZ 3.66Å; W479-F492 HydrophobicContact CE3-CE1 4.32Å; W479-F492 HydrophobicContact CZ3-CE1 4.43Å; L485-F492 HydrophobicContact CD1-CD1 3.57Å; L485-F492 HydrophobicContact CD1-CE1 3.75Å; L485-F492 HydrophobicContact CD1-CG 4.42Å; L485-F492 HydrophobicContact CD2-CD1 4.29Å; D487-F492 HydrophobicContact CB-CB 4.3Å; D487-F492 VanDerWaalsContact OD2-CB 3.28Å; D487-F492 WeakPolarHBondContact OD2-CB 3.39Å; D487-F492 PolarHBondContact OD2-N 3.35Å; F492-I494 HydrophobicContact CD1-CB 3.82Å; F492-I494 HydrophobicContact CE1-CB 3.78Å; F492-I494 HydrophobicContact CE1-CD1 3.77Å; F492-I494 HydrophobicContact CE1-CG1 4.1Å; F492-I494 HydrophobicContact CZ-CD1 4.3Å; F492-I494 PolarHBondContact O-N 2.82Å
493	I	78.4	Confident	70.8	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-62.6	-23.5	-177.7	48.9	162.2	0	0	0	114.6	Y472 Y515 T547 V549 L556	Y472-I493 PolarHBondContact OH-N 3.27Å; I493-Y515 PolarHBondContact O-N 3.17Å; I493-T547 WeakPolarHBondContact CG2-O 3.02Å; I493-V549 HydrophobicContact CG2-CG2 4.14Å; I493-L556 HydrophobicContact CD1-CD1 3.69Å
494	I	78.8	Confident	70.5	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.1	-179.5	-64.7	161.2	0	0	0	107.8	W479 L485 F492 Y512 L514 L556 I560	W479-I494 HydrophobicContact CE3-CD1 4.44Å; W479-I494 HydrophobicContact CH2-CD1 3.76Å; W479-I494 HydrophobicContact CH2-CG2 4.01Å; W479-I494 HydrophobicContact CZ3-CD1 3.39Å; W479-I494 HydrophobicContact CZ3-CG2 4.48Å; L485-I494 HydrophobicContact CD2-CG2 4.32Å; L485-I494 WeakPolarHBondContact CD2-O 3.4Å; F492-I494 HydrophobicContact CD1-CB 3.82Å; F492-I494 HydrophobicContact CE1-CB 3.78Å; F492-I494 HydrophobicContact CE1-CD1 3.77Å; F492-I494 HydrophobicContact CE1-CG1 4.1Å; F492-I494 HydrophobicContact CZ-CD1 4.3Å; F492-I494 PolarHBondContact O-N 2.82Å; I494-Y512 HydrophobicContact CG2-CD1 3.6Å; I494-Y512 HydrophobicContact CG2-CE1 4.49Å; I494-Y512 HydrophobicContact CG2-CG 4.18Å; I494-L514 HydrophobicContact CG1-CD2 3.78Å; I494-L556 HydrophobicContact CD1-CD1 3.91Å; I494-L556 HydrophobicContact CG1-CD1 4.47Å; I494-I560 HydrophobicContact CD1-CD1 4.1Å; I494-I560 HydrophobicContact CD1-CG1 3.53Å; I494-I560 HydrophobicContact CG1-CD1 4.5Å; I494-I560 HydrophobicContact CG1-CG1 4.34Å
495	Q	73.8	Confident	69.7	Low	94 Å²	94	72.4 Å²	72.4	44%	0.439	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.9	176.9	-166.8	172.8	10.9	0	0	109.8	N497 T513	Q495-N497 PolarHBondContact O-N 3.12Å; Q495-T513 PolarHBondContact N-O 3.38Å; Q495-T513 PolarHBondContact O-N 3.26Å; Q495-T513 VanDerWaalsContact O-N 3.09Å
496	R	74	Confident	69.1	Low	98 Å²	98	75.2 Å²	75.2	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.2	169.5	-177.8	177.4	173.2	-175.1	-1.1	109.4	L485 K498 T511 Y512	L485-R496 HydrophobicContact CD2-CB 4.38Å; R496-K498 PolarHBondContact O-N 3.5Å; R496-T511 WeakPolarHBondContact CA-O 3.32Å; R496-T511 HydrophobicContact CG-CG2 4.37Å; R496-Y512 HydrophobicContact CB-CD1 4.27Å; R496-Y512 HydrophobicContact CB-CE1 3.94Å; R496-Y512 HydrophobicContact CG-CE1 4.17Å
497	N	71.1	Confident	69.2	Low	57 Å²	57	67.3 Å²	67.3	31%	0.305	33%	0.327	S	S	.	.			trans	-72.7	109.7	167.7	-170.6	-8.5	0	0	0	108.9	Q495 N499 T511	Q495-N497 PolarHBondContact O-N 3.12Å; N497-N499 PolarHBondContact O-N 3.45Å; N497-N499 WeakPolarHBondContact OD1-CB 3.5Å; N497-N499 PolarHBondContact OD1-N 2.98Å; N497-N499 VanDerWaalsContact OD1-N 3.16Å; N497-T511 PolarHBondContact N-O 3.26Å
498	K	63.1	Low	69.1	Low	186 Å²	186	65.3 Å²	65.3	81%	0.809	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.4	-178.6	-67.6	-174	179.3	-177	0	113.2	R496 V500	R496-K498 PolarHBondContact O-N 3.5Å; K498-V500 VanDerWaalsContact C-N 3.29Å; K498-V500 PolarHBondContact O-N 2.87Å
499	N	57.6	Low	69.3	Low	144 Å²	144	70 Å²	70	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.5	-174.7	-62.8	-5.8	0	0	0	113.4	N497	N497-N499 PolarHBondContact O-N 3.45Å; N497-N499 WeakPolarHBondContact OD1-CB 3.5Å; N497-N499 PolarHBondContact OD1-N 2.98Å; N497-N499 VanDerWaalsContact OD1-N 3.16Å
500	V	64.9	Low	69.3	Low	17 Å²	17	71.4 Å²	71.4	10%	0.103	33%	0.334	C	S	.	.	S	Bend	trans	-109.4	106.9	179.7	-173.6	0	0	0	0	109.1	K498 H504 A510	K498-V500 VanDerWaalsContact C-N 3.29Å; K498-V500 PolarHBondContact O-N 2.87Å; V500-H504 HydrophobicContact CG1-CB 3.86Å; V500-A510 HydrophobicContact CG2-CB 4.12Å
501	P	67.4	Low	68.8	Low	75 Å²	75	62.9 Å²	62.9	49%	0.487	30%	0.302	S	S	.	.			trans	-70.4	156.9	173.5	28.6	-31.2	0	0	0	110.5	N503 H504	P501-N503 PolarHBondContact O-N 2.92Å; P501-N503 VanDerWaalsContact O-N 3.15Å; P501-H504 HydrophobicContact CG-CB 4.05Å; P501-H504 VanDerWaalsContact O-CB 3.25Å; P501-H504 WeakPolarHBondContact O-CB 3.32Å; P501-H504 PolarHBondContact O-N 3.32Å
502	V	64.2	Low	68.5	Low	16 Å²	16	63.1 Å²	63.1	10%	0.097	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.1	-176.2	-172.7	0	0	0	0	112.8	H504 F507 Q567 N571	V502-H504 PolarHBondContact O-N 3.35Å; V502-F507 HydrophobicContact CB-CD2 4.11Å; V502-F507 HydrophobicContact CB-CE2 4.05Å; V502-F507 HydrophobicContact CG1-CD1 4.41Å; V502-F507 HydrophobicContact CG1-CD2 3.92Å; V502-F507 HydrophobicContact CG1-CE1 4.22Å; V502-F507 HydrophobicContact CG1-CE2 3.69Å; V502-F507 HydrophobicContact CG1-CG 4.27Å; V502-F507 HydrophobicContact CG1-CZ 3.86Å; V502-F507 HydrophobicContact CG2-CD2 4.24Å; V502-F507 HydrophobicContact CG2-CE2 3.83Å; V502-Q567 HydrophobicContact CG2-CG 4.43Å; V502-N571 HydrophobicContact CG1-CB 4.02Å; V502-N571 WeakPolarHBondContact CG1-ND2 3.4Å
503	N	61.3	Low	67.8	Low	114 Å²	114	65.9 Å²	65.9	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	6.6	176.6	-161.8	31.2	0	0	0	113.7	P501	P501-N503 PolarHBondContact O-N 2.92Å; P501-N503 VanDerWaalsContact O-N 3.15Å
504	H	67.5	Low	67.2	Low	81 Å²	81	69.2 Å²	69.2	38%	0.375	34%	0.338	S	S	.	.	S	Bend	trans	-90.7	147.7	178.7	-161.9	-97.7	0	0	0	111.8	V500 P501 V502 D506 F507	V500-H504 HydrophobicContact CG1-CB 3.86Å; P501-H504 HydrophobicContact CG-CB 4.05Å; P501-H504 VanDerWaalsContact O-CB 3.25Å; P501-H504 WeakPolarHBondContact O-CB 3.32Å; P501-H504 PolarHBondContact O-N 3.32Å; V502-H504 PolarHBondContact O-N 3.35Å; H504-D506 VanDerWaalsContact C-N 3.26Å; H504-D506 IonicContact CE1-OD2 2.69Å; H504-D506 PolarHBondContact CE1-OD2 3.22Å; H504-D506 PolarHBondContact ND1-N 3.24Å; H504-D506 IonicContact ND1-OD2 3.88Å; H504-D506 PolarHBondContact O-N 3.35Å; H504-F507 WeakPolarHBondContact O-CB 3.39Å; H504-F507 PolarHBondContact O-N 2.94Å
505	R	61.5	Low	66.2	Low	150 Å²	150	70.9 Å²	70.9	57%	0.566	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-39	-179.3	-61	-171.6	158.1	162.6	-4.5	113.2	F507 D810	R505-F507 PolarHBondContact O-N 3.39Å; R505-D810 WeakPolarHBondContact CD-OD2 3.29Å; R505-D810 VanDerWaalsContact CG-OD2 3.27Å; R505-D810 WeakPolarHBondContact CG-OD2 3.43Å; R505-D810 IonicContact CZ-OD2 2.84Å; R505-D810 IonicContact NE-OD1 2.83Å; R505-D810 IonicContact NE-OD2 3.96Å; R505-D810 PolarHBondContact NE-OD2 3.46Å; R505-D810 IonicContact NH2-OD2 2.89Å
506	D	63.3	Low	65.2	Low	82 Å²	82	68.6 Å²	68.6	44%	0.439	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.8	-179	-55.8	-37.7	0	0	0	113.2	H504 W508 Y509 A510	H504-D506 VanDerWaalsContact C-N 3.26Å; H504-D506 IonicContact CE1-OD2 2.69Å; H504-D506 PolarHBondContact CE1-OD2 3.22Å; H504-D506 PolarHBondContact ND1-N 3.24Å; H504-D506 IonicContact ND1-OD2 3.88Å; H504-D506 PolarHBondContact O-N 3.35Å; D506-W508 PolarHBondContact O-N 2.91Å; D506-Y509 PolarHBondContact O-N 3.41Å; D506-A510 HydrophobicContact CB-CB 4Å; D506-A510 WeakPolarHBondContact O-CB 3.34Å; D506-A510 PolarHBondContact O-N 3.2Å
507	F	72.6	Confident	63.9	Low	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-52.7	-43.4	-178.1	170.4	-100.4	0	0	0	111.8	V502 H504 R505 Y509 T511 Q567 L568	V502-F507 HydrophobicContact CB-CD2 4.11Å; V502-F507 HydrophobicContact CB-CE2 4.05Å; V502-F507 HydrophobicContact CG1-CD1 4.41Å; V502-F507 HydrophobicContact CG1-CD2 3.92Å; V502-F507 HydrophobicContact CG1-CE1 4.22Å; V502-F507 HydrophobicContact CG1-CE2 3.69Å; V502-F507 HydrophobicContact CG1-CG 4.27Å; V502-F507 HydrophobicContact CG1-CZ 3.86Å; V502-F507 HydrophobicContact CG2-CD2 4.24Å; V502-F507 HydrophobicContact CG2-CE2 3.83Å; H504-F507 WeakPolarHBondContact O-CB 3.39Å; H504-F507 PolarHBondContact O-N 2.94Å; R505-F507 PolarHBondContact O-N 3.39Å; F507-Y509 VanDerWaalsContact C-N 3.3Å; F507-Y509 PolarHBondContact O-N 3.04Å; F507-T511 VanDerWaalsContact C-OG1 3.28Å; F507-T511 WeakPolarHBondContact CA-OG1 3.26Å; F507-T511 HydrophobicContact CD2-CG2 3.93Å; F507-T511 WeakPolarHBondContact CD2-OG1 3.41Å; F507-T511 HydrophobicContact CE2-CG2 3.76Å; F507-T511 VanDerWaalsContact O-CB 3.23Å; F507-T511 WeakPolarHBondContact O-CB 3.49Å; F507-T511 PolarHBondContact O-OG1 2.96Å; F507-Q567 HydrophobicContact CE2-CG 4.49Å; F507-Q567 HydrophobicContact CZ-CB 4.27Å; F507-Q567 HydrophobicContact CZ-CG 4.12Å; F507-L568 HydrophobicContact CE1-CB 4.21Å
508	W	73.7	Confident	62.3	Low	6 Å²	6	69.1 Å²	69.1	2%	0.023	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-29.4	-176.7	-155	-108.9	0	0	0	113.3	D506 M561 K564 L568 L706 I811 L923	D506-W508 PolarHBondContact O-N 2.91Å; W508-M561 HydrophobicContact CH2-CE 4.29Å; W508-M561 HydrophobicContact CZ2-CE 3.37Å; W508-K564 HydrophobicContact CE3-CB 4.4Å; W508-K564 HydrophobicContact CH2-CB 4.07Å; W508-K564 HydrophobicContact CZ3-CB 3.89Å; W508-K564 PolarHBondContact O-NZ 2.99Å; W508-L568 HydrophobicContact CE3-CD2 4.41Å; W508-L568 HydrophobicContact CZ3-CD2 3.98Å; W508-L706 HydrophobicContact CH2-CD2 4.24Å; W508-I811 HydrophobicContact CB-CG2 3.79Å; W508-I811 HydrophobicContact CD2-CG2 4.36Å; W508-I811 HydrophobicContact CG-CG2 3.99Å; W508-L923 HydrophobicContact CD2-CD2 4.09Å; W508-L923 HydrophobicContact CE3-CD2 4Å; W508-L923 HydrophobicContact CH2-CB 4.07Å; W508-L923 HydrophobicContact CH2-CD2 3.6Å; W508-L923 HydrophobicContact CH2-CG 4.27Å; W508-L923 HydrophobicContact CZ2-CB 3.66Å; W508-L923 HydrophobicContact CZ2-CD2 3.64Å; W508-L923 HydrophobicContact CZ2-CG 3.87Å; W508-L923 HydrophobicContact CZ3-CD2 3.77Å
509	Y	67.1	Low	60.7	Low	138 Å²	138	69.4 Å²	69.4	54%	0.541	36%	0.363	S	S	.	.	H	α-helix	trans	-101.8	-36.7	-173.1	-60.6	-73.3	0	0	0	114.1	D506 F507 I927	D506-Y509 PolarHBondContact O-N 3.41Å; F507-Y509 VanDerWaalsContact C-N 3.3Å; F507-Y509 PolarHBondContact O-N 3.04Å; Y509-I927 WeakPolarHBondContact OH-CG2 3.45Å
510	A	63	Low	59.5	Low	33 Å²	33	71.6 Å²	71.6	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-111.5	-10.4	-166.6	0	0	0	0	0	115.2	V500 D506	V500-A510 HydrophobicContact CG2-CB 4.12Å; D506-A510 HydrophobicContact CB-CB 4Å; D506-A510 WeakPolarHBondContact O-CB 3.34Å; D506-A510 PolarHBondContact O-N 3.2Å
511	T	62.5	Low	58.2	Low	1 Å²	1	76.9 Å²	76.9	1%	0.006	40%	0.399	C	S	.	.	S	Bend	trans	-71.1	-34.7	-175	-54.6	0	0	0	0	113.6	R496 N497 F507	R496-T511 WeakPolarHBondContact CA-O 3.32Å; R496-T511 HydrophobicContact CG-CG2 4.37Å; N497-T511 PolarHBondContact N-O 3.26Å; F507-T511 VanDerWaalsContact C-OG1 3.28Å; F507-T511 WeakPolarHBondContact CA-OG1 3.26Å; F507-T511 HydrophobicContact CD2-CG2 3.93Å; F507-T511 WeakPolarHBondContact CD2-OG1 3.41Å; F507-T511 HydrophobicContact CE2-CG2 3.76Å; F507-T511 VanDerWaalsContact O-CB 3.23Å; F507-T511 WeakPolarHBondContact O-CB 3.49Å; F507-T511 PolarHBondContact O-OG1 2.96Å
512	Y	70.9	Confident	56.3	Low	16 Å²	16	81.9 Å²	81.9	6%	0.063	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.5	-175.9	-68.3	-74.8	0	0	0	109.8	W479 L485 I494 R496 K564 Q567	W479-Y512 AromaticContact CE2-CE1 3.96Å; W479-Y512 AromaticContact CE2-CZ 3.87Å; W479-Y512 HydrophobicContact CH2-CD1 4.43Å; W479-Y512 AromaticContact CZ2-CD1 3.86Å; W479-Y512 HydrophobicContact CZ2-CD1 3.86Å; W479-Y512 HydrophobicContact CZ2-CD2 4.11Å; W479-Y512 AromaticContact CZ2-CE1 3.63Å; W479-Y512 HydrophobicContact CZ2-CE1 3.63Å; W479-Y512 AromaticContact CZ2-CE2 3.9Å; W479-Y512 HydrophobicContact CZ2-CE2 3.9Å; W479-Y512 HydrophobicContact CZ2-CG 4.07Å; W479-Y512 AromaticContact CZ2-CZ 3.65Å; W479-Y512 AromaticContact NE1-CE1 3.97Å; W479-Y512 AromaticContact NE1-CZ 3.57Å; W479-Y512 PolarHBondContact NE1-OH 3.09Å; W479-Y512 VanDerWaalsContact NE1-OH 3.16Å; L485-Y512 HydrophobicContact CB-CE1 4.2Å; L485-Y512 HydrophobicContact CD2-CD1 4.48Å; L485-Y512 HydrophobicContact CD2-CE1 4.09Å; I494-Y512 HydrophobicContact CG2-CD1 3.6Å; I494-Y512 HydrophobicContact CG2-CE1 4.49Å; I494-Y512 HydrophobicContact CG2-CG 4.18Å; R496-Y512 HydrophobicContact CB-CD1 4.27Å; R496-Y512 HydrophobicContact CB-CE1 3.94Å; R496-Y512 HydrophobicContact CG-CE1 4.17Å; Y512-K564 HydrophobicContact CD2-CD 4.33Å; Y512-K564 HydrophobicContact CD2-CG 3.65Å; Y512-K564 HydrophobicContact CE2-CG 3.94Å; Y512-Q567 VanDerWaalsContact CZ-OE1 3.25Å; Y512-Q567 PolarHBondContact OH-OE1 2.95Å
513	T	66.5	Low	54.6	Low	67 Å²	67	88 Å²	88	41%	0.411	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.2	176.6	52.4	0	0	0	0	109.3	Q495	Q495-T513 PolarHBondContact N-O 3.38Å; Q495-T513 PolarHBondContact O-N 3.26Å; Q495-T513 VanDerWaalsContact O-N 3.09Å
514	L	66.9	Low	53.2	Low	76 Å²	76	92 Å²	92	40%	0.398	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.5	168.8	-70.9	170.2	0	0	0	108.9	I494 S516 L556 I560	I494-L514 HydrophobicContact CG1-CD2 3.78Å; L514-S516 PolarHBondContact O-N 2.94Å; L514-L556 HydrophobicContact CD1-CD2 4.22Å; L514-L556 HydrophobicContact CD2-CD1 4.37Å; L514-L556 HydrophobicContact CD2-CD2 3.95Å; L514-I560 HydrophobicContact CD2-CD1 4.26Å
515	Y	58.2	Low	51.5	Low	37 Å²	37	96.4 Å²	96.4	15%	0.145	48%	0.483	C	S	.	.			trans	-62.5	129.3	175.2	-169.2	-94.2	0	0	0	110	R428 V430 V431 I493 V517 H546 T547	R428-Y515 WeakPolarHBondContact CD-OH 3.32Å; R428-Y515 PolarHBondContact NH1-OH 3.08Å; V430-Y515 HydrophobicContact CG1-CD1 3.75Å; V430-Y515 HydrophobicContact CG1-CD2 4.18Å; V430-Y515 HydrophobicContact CG1-CE1 3.58Å; V430-Y515 HydrophobicContact CG1-CE2 4.04Å; V430-Y515 HydrophobicContact CG1-CG 4.05Å; V430-Y515 HydrophobicContact CG2-CD1 4.27Å; V430-Y515 HydrophobicContact CG2-CG 4.28Å; V431-Y515 HydrophobicContact CG2-CE1 4.25Å; I493-Y515 PolarHBondContact O-N 3.17Å; Y515-V517 HydrophobicContact CE1-CG2 3.97Å; Y515-H546 PolarHBondContact O-ND1 3.45Å; Y515-T547 WeakPolarHBondContact CD1-OG1 3.21Å
516	S	51	Low	49.9	Very low	47 Å²	47	99.2 Å²	99.2	33%	0.329	50%	0.499	S	S	.	.			trans	-123.7	122.3	176.4	62.6	0	0	0	0	108.8	L514 S518 H546	L514-S516 PolarHBondContact O-N 2.94Å; S516-S518 PolarHBondContact O-N 2.86Å; S516-H546 WeakPolarHBondContact CB-ND1 3.46Å
517	V	47	Very low	48.2	Very low	63 Å²	63	103.6 Å²	103.6	38%	0.382	52%	0.519	S	S	.	.			trans	-69.6	102.7	169.9	-178.8	0	0	0	0	106.9	V431 Y515 T547	V431-V517 HydrophobicContact CG2-CG2 4.3Å; Y515-V517 HydrophobicContact CE1-CG2 3.97Å; V517-T547 HydrophobicContact CG2-CG2 3.35Å
518	S	37.6	Very low	46.1	Very low	102 Å²	102	108.1 Å²	108.1	71%	0.713	55%	0.551	S	S	*	*			trans	-83.4	137.7	157.6	45.2	0	0	0	0	107.5	S516 K520	S516-S518 PolarHBondContact O-N 2.86Å; S518-K520 PolarHBondContact O-N 3.23Å
519	E	28.9	Very low	43.8	Very low	192 Å²	192	114.7 Å²	114.7	90%	0.897	59%	0.587	S	S	*	*	S	Bend	trans	-54.4	123.8	175.1	-79.5	173.8	132.9	0	0	110.6
520	K	33.7	Very low	41.8	Very low	191 Å²	191	115.9 Å²	115.9	83%	0.83	60%	0.603	S	S	*	*			trans	24.8	105.5	158	-64.1	-174.1	176.7	-175.1	0	118.4	S518	S518-K520 PolarHBondContact O-N 3.23Å
521	T	36.4	Very low	40.3	Very low	128 Å²	128	118.6 Å²	118.6	79%	0.785	63%	0.625	S	S	*	*				38.7	115.7	127.9	55.2	0	0	0	0	119.7
522	E	29.6	Very low	38.8	Very low	180 Å²	180	124.6 Å²	124.6	84%	0.841	67%	0.667	S	S	*	*				-168.8	138.5	124.4	-105.2	172.2	-163.2	0	0	110.5
523	N	26.5	Very low	36.5	Very low	145 Å²	145	128.4 Å²	128.4	78%	0.775	70%	0.702	S	S	*	*			trans	85.1	66.4	170.6	-54.4	-29.7	0	0	0	119.4	E525	N523-E525 VanDerWaalsContact C-N 3.33Å
524	E	33.1	Very low	34.5	Very low	197 Å²	197	130.8 Å²	130.8	92%	0.921	72%	0.721	S	S	*	*			trans	-90.5	73	141.5	-82.2	-169	164.5	0	0	108.9
525	E	32.4	Very low	32.6	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	74%	0.742	S	S	*	*			trans	-166.2	78.5	160.8	-112.9	-178.4	-148.7	0	0	109.6	N523	N523-E525 VanDerWaalsContact C-N 3.33Å
526	K	27.4	Very low	31	Very low	209 Å²	209	134.4 Å²	134.4	91%	0.909	77%	0.769	S	S	*	*			trans	-174.7	119.8	143.2	-101.1	161.8	-167.6	-178.3	0	110.8
527	M	26.2	Very low	30.1	Very low	174 Å²	174	136.9 Å²	136.9	86%	0.857	79%	0.786	S	S	*	*			trans	-58	153.4	169.7	-165.3	81.7	83.2	0	0	111.7
528	S	28.6	Very low	29.4	Very low	96 Å²	96	141.3 Å²	141.3	67%	0.671	81%	0.808	S	S	*	*			trans	78.3	132.6	151.9	56.1	0	0	0	0	120.5
529	D	27.3	Very low	28.9	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	82%	0.817	S	S	*	*			trans	70.4	95	156.3	-57.6	-17.6	0	0	0	117.5
530	N	24.8	Very low	28.8	Very low	164 Å²	164	139.3 Å²	139.3	88%	0.877	80%	0.803	S	S	*	*				-166.7	110.4	121.5	-85.6	-30.5	0	0	0	110.5
531	A	30.2	Very low	28.5	Very low	89 Å²	89	136.9 Å²	136.9	74%	0.736	81%	0.807	S	S	*	*			trans	-66.2	144.7	157.3	0	0	0	0	0	109.1
532	S	31.3	Very low	28.1	Very low	127 Å²	127	136 Å²	136	89%	0.888	81%	0.806	S	S	*	*			trans	94.1	95.8	167.2	-33.6	0	0	0	0	117.4
533	A	23.5	Very low	28.2	Very low	96 Å²	96	132 Å²	132	79%	0.793	80%	0.798	S	S	*	*			trans	-163	105.6	141.5	0	0	0	0	0	105.9
534	S	24	Very low	28.8	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	80%	0.797	S	S	*	*				44.7	110.3	65.7	-166.5	0	0	0	0	114.5
535	S	26.6	Very low	29.3	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	79%	0.787	S	S	*	*			trans	86.2	133	149.2	-151	0	0	0	0	119.7
536	G	24.4	Very low	30.1	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	77%	0.769	S	S	*	*			trans	167.6	19.1	174.6	0	0	0	0	0	115.5
537	S	32.8	Very low	31.6	Very low	99 Å²	99	120 Å²	120	69%	0.692	73%	0.734	S	S	*	*			trans	-67.1	137.4	148.8	50	0	0	0	0	108.1
538	D	31.6	Very low	33.3	Very low	157 Å²	157	114.4 Å²	114.4	84%	0.84	71%	0.707	S	S	*	*			trans	85.2	71.4	-179	-57.8	-21.5	0	0	0	116.9
539	Q	26.9	Very low	35.5	Very low	191 Å²	191	109.8 Å²	109.8	89%	0.893	68%	0.675	S	S	*	*			trans	-129	142.7	131.2	-68.1	-165.9	-0.9	0	0	107.8
540	G	27.1	Very low	37.9	Very low	60 Å²	60	105 Å²	105	62%	0.619	65%	0.652	S	S	*	*			trans	-55.6	-178.3	-172	0	0	0	0	0	115.1	S542	G540-S542 PolarHBondContact O-N 3.04Å
541	P	28.8	Very low	40.5	Very low	140 Å²	140	97.2 Å²	97.2	91%	0.909	61%	0.61	S	S	*	*			trans	-73.3	67.5	-177.1	33.8	-34.3	0	0	0	110.1	S543	P541-S543 PolarHBondContact O-N 3.38Å
542	S	27.6	Very low	42.9	Very low	110 Å²	110	93.1 Å²	93.1	77%	0.769	58%	0.576	S	S	*	*			trans	-78.9	107.9	160.8	-154.3	0	0	0	0	105.3	G540 R544	G540-S542 PolarHBondContact O-N 3.04Å; S542-R544 VanDerWaalsContact C-N 3.33Å; S542-R544 PolarHBondContact O-N 3.13Å
543	S	32	Very low	45.3	Very low	96 Å²	96	93.7 Å²	93.7	67%	0.671	56%	0.563	S	S	*	*			trans	-61.6	90.3	-173.2	56.2	0	0	0	0	110.5	P541 Q545	P541-S543 PolarHBondContact O-N 3.38Å; S543-Q545 VanDerWaalsContact C-N 3.31Å; S543-Q545 PolarHBondContact O-N 2.9Å
544	R	38.1	Very low	48.1	Very low	197 Å²	197	92.1 Å²	92.1	74%	0.743	54%	0.544	S	S	*	.			trans	-56.8	102.7	156.7	-67.6	177.9	-177	169.9	1.1	105.3	S542 H546	S542-R544 VanDerWaalsContact C-N 3.33Å; S542-R544 PolarHBondContact O-N 3.13Å; R544-H546 PolarHBondContact O-CD2 3.43Å; R544-H546 PolarHBondContact O-N 3.19Å
545	Q	44.3	Very low	50.9	Low	154 Å²	154	86.8 Å²	86.8	72%	0.72	51%	0.507	S	S	*	.			trans	-70.6	89.9	178.1	-69.7	-167.3	-2.9	0	0	107.2	S543 T547	S543-Q545 VanDerWaalsContact C-N 3.31Å; S543-Q545 PolarHBondContact O-N 2.9Å; Q545-T547 PolarHBondContact O-N 3.27Å
546	H	49.3	Very low	53.6	Low	91 Å²	91	82 Å²	82	42%	0.421	47%	0.472	S	S	.	.			trans	-54.3	126.9	162.3	-63.4	-78.1	0	0	0	107.1	Y515 S516 R544 M548	Y515-H546 PolarHBondContact O-ND1 3.45Å; S516-H546 WeakPolarHBondContact CB-ND1 3.46Å; R544-H546 PolarHBondContact O-CD2 3.43Å; R544-H546 PolarHBondContact O-N 3.19Å; H546-M548 HydrophobicContact CB-CB 4.34Å; H546-M548 PolarHBondContact O-N 2.86Å
547	T	57.6	Low	56.4	Low	29 Å²	29	84.1 Å²	84.1	18%	0.178	46%	0.461	C	S	.	.			trans	-68.3	81	167.2	45.6	0	0	0	0	107.1	V431 S434 I493 Y515 V517 Q545	V431-T547 HydrophobicContact CB-CG2 4.39Å; V431-T547 HydrophobicContact CG1-CG2 3.97Å; V431-T547 HydrophobicContact CG2-CG2 4.09Å; S434-T547 PolarHBondContact OG-O 3.19Å; I493-T547 WeakPolarHBondContact CG2-O 3.02Å; Y515-T547 WeakPolarHBondContact CD1-OG1 3.21Å; V517-T547 HydrophobicContact CG2-CG2 3.35Å; Q545-T547 PolarHBondContact O-N 3.27Å
548	M	62.5	Low	58.9	Low	57 Å²	57	81.8 Å²	81.8	28%	0.281	44%	0.439	S	S	.	.			trans	-106.7	130	-174.1	-177.2	-178.7	64.7	0	0	108.3	H546 S550 K553 L556	H546-M548 HydrophobicContact CB-CB 4.34Å; H546-M548 PolarHBondContact O-N 2.86Å; M548-S550 PolarHBondContact O-N 2.81Å; M548-K553 HydrophobicContact CE-CB 3.86Å; M548-K553 HydrophobicContact CE-CD 3.42Å; M548-K553 VanDerWaalsContact CE-CD 3.42Å; M548-K553 HydrophobicContact CE-CG 3.53Å; M548-K553 HydrophobicContact SD-CB 4.08Å; M548-K553 HydrophobicContact SD-CD 4.42Å; M548-K553 HydrophobicContact SD-CG 3.88Å; M548-L556 HydrophobicContact SD-CD2 4.4Å
549	V	75.8	Confident	61.4	Low	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.399	C	S	.	.			trans	-70.1	113.7	173.3	-177.5	0	0	0	0	108.9	L437 Y472 I493 F551 L552	L437-V549 HydrophobicContact CB-CG1 4.18Å; L437-V549 HydrophobicContact CD1-CG1 4.39Å; L437-V549 HydrophobicContact CD1-CG2 4.31Å; Y472-V549 HydrophobicContact CE1-CG2 4.13Å; I493-V549 HydrophobicContact CG2-CG2 4.14Å; V549-F551 VanDerWaalsContact C-N 3.31Å; V549-F551 HydrophobicContact CG1-CD1 3.28Å; V549-F551 HydrophobicContact CG1-CE1 3.08Å; V549-F551 HydrophobicContact CG1-CG 4.11Å; V549-F551 HydrophobicContact CG1-CZ 3.77Å; V549-F551 PolarHBondContact O-N 3.35Å; V549-L552 HydrophobicContact CB-CD1 4.13Å; V549-L552 HydrophobicContact CG1-CD1 3.95Å; V549-L552 PolarHBondContact O-N 3.18Å
550	S	76.4	Confident	64.2	Low	41 Å²	41	66.6 Å²	66.6	29%	0.287	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-56.8	-38.9	-168.8	-59.9	0	0	0	0	113.9	N438 M548 L552 K553	N438-S550 WeakPolarHBondContact OD1-CB 3.23Å; N438-S550 PolarHBondContact OD1-OG 3.06Å; M548-S550 PolarHBondContact O-N 2.81Å; S550-L552 VanDerWaalsContact C-N 3.31Å; S550-L552 PolarHBondContact O-N 2.61Å; S550-K553 WeakPolarHBondContact O-CB 3.41Å; S550-K553 PolarHBondContact O-N 3.16Å
551	F	79.4	Confident	66.8	Low	1 Å²	1	64.2 Å²	64.2	0%	0.004	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-71.8	-20.4	-176	73.4	-102.5	0	0	0	114.6	L437 Y441 W465 V469 V549 L687 Y692	L437-F551 HydrophobicContact CB-CE1 4.44Å; L437-F551 HydrophobicContact CD1-CE1 4.48Å; Y441-F551 HydrophobicContact CD2-CB 3.7Å; Y441-F551 HydrophobicContact CD2-CD1 4.41Å; Y441-F551 HydrophobicContact CE2-CB 3.63Å; Y441-F551 HydrophobicContact CG-CB 4.47Å; W465-F551 AromaticContact CZ2-CD1 3.95Å; W465-F551 HydrophobicContact CZ2-CD1 3.95Å; W465-F551 HydrophobicContact CZ2-CD2 4.12Å; W465-F551 AromaticContact CZ2-CE1 3.94Å; W465-F551 HydrophobicContact CZ2-CE1 3.94Å; W465-F551 HydrophobicContact CZ2-CE2 4.13Å; W465-F551 HydrophobicContact CZ2-CG 4.05Å; W465-F551 HydrophobicContact CZ2-CZ 4.06Å; V469-F551 HydrophobicContact CB-CZ 4.47Å; V469-F551 HydrophobicContact CG1-CE1 3.92Å; V469-F551 HydrophobicContact CG1-CZ 3.77Å; V549-F551 VanDerWaalsContact C-N 3.31Å; V549-F551 HydrophobicContact CG1-CD1 3.28Å; V549-F551 HydrophobicContact CG1-CE1 3.08Å; V549-F551 HydrophobicContact CG1-CG 4.11Å; V549-F551 HydrophobicContact CG1-CZ 3.77Å; V549-F551 PolarHBondContact O-N 3.35Å; F551-L687 HydrophobicContact CB-CD1 3.97Å; F551-Y692 PolarHBondContact O-OH 2.81Å
552	L	81.3	Confident	69.5	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-90.3	-13	178.3	-84.4	134.9	0	0	0	112.8	Y472 V549 S550 P554 V555 L556 I559	Y472-L552 HydrophobicContact CD1-CD1 4.24Å; Y472-L552 HydrophobicContact CE1-CD1 4.47Å; V549-L552 HydrophobicContact CB-CD1 4.13Å; V549-L552 HydrophobicContact CG1-CD1 3.95Å; V549-L552 PolarHBondContact O-N 3.18Å; S550-L552 VanDerWaalsContact C-N 3.31Å; S550-L552 PolarHBondContact O-N 2.61Å; L552-P554 VanDerWaalsContact C-N 3.32Å; L552-V555 HydrophobicContact CD2-CG2 4.47Å; L552-V555 PolarHBondContact O-N 2.55Å; L552-V555 VanDerWaalsContact O-N 3.15Å; L552-L556 WeakPolarHBondContact O-CB 3.27Å; L552-L556 PolarHBondContact O-N 3.3Å; L552-I559 HydrophobicContact CD2-CD1 3.37Å
553	K	80.7	Confident	72.2	Confident	139 Å²	139	52.3 Å²	52.3	60%	0.604	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-42.6	-177.6	-173	-175.3	-170.4	174.9	0	113.9	M548 S550	M548-K553 HydrophobicContact CE-CB 3.86Å; M548-K553 HydrophobicContact CE-CD 3.42Å; M548-K553 VanDerWaalsContact CE-CD 3.42Å; M548-K553 HydrophobicContact CE-CG 3.53Å; M548-K553 HydrophobicContact SD-CB 4.08Å; M548-K553 HydrophobicContact SD-CD 4.42Å; M548-K553 HydrophobicContact SD-CG 3.88Å; S550-K553 WeakPolarHBondContact O-CB 3.41Å; S550-K553 PolarHBondContact O-N 3.16Å
554	P	81.9	Confident	74.7	Confident	63 Å²	63	48.8 Å²	48.8	41%	0.409	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.6	-178.1	-22.2	36.3	0	0	0	113.9	L552 Y692	L552-P554 VanDerWaalsContact C-N 3.32Å; P554-Y692 HydrophobicContact CB-CE2 3.99Å; P554-Y692 HydrophobicContact CG-CE2 4.1Å
555	V	83.6	Confident	76.9	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.9	-173.8	-68.4	0	0	0	0	113.6	L552 K557 Q558 I559 Y692 I695	L552-V555 HydrophobicContact CD2-CG2 4.47Å; L552-V555 PolarHBondContact O-N 2.55Å; L552-V555 VanDerWaalsContact O-N 3.15Å; V555-K557 VanDerWaalsContact C-N 3.28Å; V555-K557 PolarHBondContact O-N 3.34Å; V555-Q558 WeakPolarHBondContact O-CA 3.24Å; V555-Q558 WeakPolarHBondContact O-CB 3.45Å; V555-Q558 PolarHBondContact O-N 3.48Å; V555-I559 HydrophobicContact CG2-CD1 4.03Å; V555-I559 WeakPolarHBondContact O-CG1 3.37Å; V555-I559 PolarHBondContact O-N 3.01Å; V555-Y692 HydrophobicContact CB-CD1 4.29Å; V555-Y692 HydrophobicContact CG1-CD1 3.36Å; V555-Y692 HydrophobicContact CG1-CD2 3.93Å; V555-Y692 HydrophobicContact CG1-CE1 3.9Å; V555-Y692 HydrophobicContact CG1-CE2 4.44Å; V555-Y692 HydrophobicContact CG1-CG 3.4Å; V555-Y692 VanDerWaalsContact CG1-CG 3.4Å; V555-Y692 HydrophobicContact CG2-CD1 3.93Å; V555-Y692 HydrophobicContact CG2-CE1 3.85Å; V555-I695 HydrophobicContact CB-CD1 4.41Å; V555-I695 HydrophobicContact CB-CG2 4.37Å; V555-I695 HydrophobicContact CG2-CD1 3.99Å
556	L	83.2	Confident	78.9	Confident	17 Å²	17	33.2 Å²	33.2	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-54.1	-42.6	-176.3	-179.6	60.8	0	0	0	113	I493 I494 L514 M548 L552 Q558 I559 I560	I493-L556 HydrophobicContact CD1-CD1 3.69Å; I494-L556 HydrophobicContact CD1-CD1 3.91Å; I494-L556 HydrophobicContact CG1-CD1 4.47Å; L514-L556 HydrophobicContact CD1-CD2 4.22Å; L514-L556 HydrophobicContact CD2-CD1 4.37Å; L514-L556 HydrophobicContact CD2-CD2 3.95Å; M548-L556 HydrophobicContact SD-CD2 4.4Å; L552-L556 WeakPolarHBondContact O-CB 3.27Å; L552-L556 PolarHBondContact O-N 3.3Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.11Å; L556-I559 PolarHBondContact O-N 2.93Å; L556-I560 HydrophobicContact CD1-CD1 4.02Å; L556-I560 HydrophobicContact CD1-CG1 4.31Å; L556-I560 HydrophobicContact CG-CD1 3.93Å; L556-I560 WeakPolarHBondContact O-CG1 3.4Å; L556-I560 PolarHBondContact O-N 3.17Å
557	K	83.5	Confident	80.6	Confident	115 Å²	115	29.4 Å²	29.4	50%	0.5	15%	0.148	S	C	.	.	H	α-helix	trans	-61.2	-44.8	177.4	-172.2	-178.4	179.2	-166.1	0	110.8	V555 I559 I560 M561 D924	V555-K557 VanDerWaalsContact C-N 3.28Å; V555-K557 PolarHBondContact O-N 3.34Å; K557-I559 PolarHBondContact O-N 3.24Å; K557-I560 PolarHBondContact O-N 2.98Å; K557-M561 HydrophobicContact CG-CG 4.29Å; K557-M561 WeakPolarHBondContact O-CB 3.34Å; K557-M561 WeakPolarHBondContact O-CG 3.18Å; K557-M561 PolarHBondContact O-N 2.95Å; K557-D924 IonicContact NZ-OD2 3.16Å; K557-D924 PolarHBondContact NZ-OD2 2.94Å
558	Q	84.4	Confident	81.8	Confident	50 Å²	50	28.1 Å²	28.1	23%	0.234	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-43.4	179.5	-65.8	171.9	-20.6	0	0	111.2	V555 L556 I560 M561 A562 I695 D696 Y699	V555-Q558 WeakPolarHBondContact O-CA 3.24Å; V555-Q558 WeakPolarHBondContact O-CB 3.45Å; V555-Q558 PolarHBondContact O-N 3.48Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.11Å; Q558-I560 PolarHBondContact O-N 2.84Å; Q558-M561 PolarHBondContact O-N 2.96Å; Q558-A562 VanDerWaalsContact O-CB 3.27Å; Q558-A562 WeakPolarHBondContact O-CB 3.42Å; Q558-A562 PolarHBondContact O-N 2.9Å; Q558-I695 HydrophobicContact CB-CG2 4.41Å; Q558-D696 PolarHBondContact NE2-OD1 3.2Å; Q558-Y699 HydrophobicContact CB-CD1 4.49Å; Q558-Y699 HydrophobicContact CB-CD2 4.18Å; Q558-Y699 HydrophobicContact CB-CG 4.04Å; Q558-Y699 HydrophobicContact CG-CD1 4.26Å; Q558-Y699 HydrophobicContact CG-CG 4.3Å; Q558-Y699 WeakPolarHBondContact O-CD2 3.31Å
559	I	84.9	Confident	82.8	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-47.7	177.4	-61.6	169.6	0	0	0	110.8	V476 W479 I480 L552 V555 L556 K557 M561 A562 G563 I695	V476-I559 HydrophobicContact CG1-CD1 4.12Å; V476-I559 HydrophobicContact CG1-CG1 4.32Å; V476-I559 HydrophobicContact CG1-CG2 3.9Å; W479-I559 HydrophobicContact CE3-CG2 3.89Å; W479-I559 HydrophobicContact CZ3-CG2 3.77Å; I480-I559 HydrophobicContact CD1-CG1 4.3Å; I480-I559 HydrophobicContact CD1-CG2 4.18Å; I480-I559 HydrophobicContact CG1-CG2 4.32Å; L552-I559 HydrophobicContact CD2-CD1 3.37Å; V555-I559 HydrophobicContact CG2-CD1 4.03Å; V555-I559 WeakPolarHBondContact O-CG1 3.37Å; V555-I559 PolarHBondContact O-N 3.01Å; L556-I559 PolarHBondContact O-N 2.93Å; K557-I559 PolarHBondContact O-N 3.24Å; I559-M561 VanDerWaalsContact C-N 3.32Å; I559-M561 PolarHBondContact O-N 3.47Å; I559-A562 PolarHBondContact O-N 2.9Å; I559-G563 PolarHBondContact O-N 3.3Å; I559-I695 HydrophobicContact CD1-CD1 4.23Å; I559-I695 HydrophobicContact CG1-CD1 4.46Å; I559-I695 HydrophobicContact CG1-CG2 3.75Å
560	I	85.4	Confident	83.1	Confident	28 Å²	28	29.1 Å²	29.1	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-44.6	179.6	-68.5	166.3	0	0	0	111.1	W479 I494 L514 L556 K557 Q558 K564	W479-I560 HydrophobicContact CH2-CB 4.27Å; W479-I560 HydrophobicContact CH2-CG1 4.08Å; W479-I560 HydrophobicContact CZ3-CG1 4.39Å; I494-I560 HydrophobicContact CD1-CD1 4.1Å; I494-I560 HydrophobicContact CD1-CG1 3.53Å; I494-I560 HydrophobicContact CG1-CD1 4.5Å; I494-I560 HydrophobicContact CG1-CG1 4.34Å; L514-I560 HydrophobicContact CD2-CD1 4.26Å; L556-I560 HydrophobicContact CD1-CD1 4.02Å; L556-I560 HydrophobicContact CD1-CG1 4.31Å; L556-I560 HydrophobicContact CG-CD1 3.93Å; L556-I560 WeakPolarHBondContact O-CG1 3.4Å; L556-I560 PolarHBondContact O-N 3.17Å; K557-I560 PolarHBondContact O-N 2.98Å; Q558-I560 PolarHBondContact O-N 2.84Å; I560-K564 HydrophobicContact CG2-CD 3.93Å; I560-K564 HydrophobicContact CG2-CG 4.39Å; I560-K564 WeakPolarHBondContact O-CB 3.42Å; I560-K564 VanDerWaalsContact O-CG 3.27Å; I560-K564 WeakPolarHBondContact O-CG 3.26Å; I560-K564 PolarHBondContact O-N 2.92Å
561	M	82.8	Confident	83.2	Confident	11 Å²	11	30.6 Å²	30.6	5%	0.054	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-43.2	-179.3	-67	-54.1	-60	0	0	111.5	W508 K557 Q558 I559 K564 S565 Y699 D922 D924	W508-M561 HydrophobicContact CH2-CE 4.29Å; W508-M561 HydrophobicContact CZ2-CE 3.37Å; K557-M561 HydrophobicContact CG-CG 4.29Å; K557-M561 WeakPolarHBondContact O-CB 3.34Å; K557-M561 WeakPolarHBondContact O-CG 3.18Å; K557-M561 PolarHBondContact O-N 2.95Å; Q558-M561 PolarHBondContact O-N 2.96Å; I559-M561 VanDerWaalsContact C-N 3.32Å; I559-M561 PolarHBondContact O-N 3.47Å; M561-K564 PolarHBondContact O-N 2.71Å; M561-S565 WeakPolarHBondContact O-CB 3.44Å; M561-S565 PolarHBondContact O-N 3.37Å; M561-S565 PolarHBondContact O-OG 3.15Å; M561-Y699 HydrophobicContact CB-CD2 4.1Å; M561-Y699 HydrophobicContact CB-CE2 3.59Å; M561-Y699 HydrophobicContact CG-CE2 4.46Å; M561-D922 VanDerWaalsContact CE-OD1 3.26Å; M561-D922 WeakPolarHBondContact CE-OD1 3.32Å; M561-D924 HydrophobicContact CE-CB 3.41Å; M561-D924 VanDerWaalsContact CE-CB 3.41Å; M561-D924 HydrophobicContact SD-CB 4.15Å
562	A	85.3	Confident	83	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-48	175.8	0	0	0	0	0	111.6	I480 Q558 I559 S565 M566 Y699	I480-A562 HydrophobicContact CG1-CB 4.23Å; I480-A562 HydrophobicContact CG2-CB 4.24Å; Q558-A562 VanDerWaalsContact O-CB 3.27Å; Q558-A562 WeakPolarHBondContact O-CB 3.42Å; Q558-A562 PolarHBondContact O-N 2.9Å; I559-A562 PolarHBondContact O-N 2.9Å; A562-S565 PolarHBondContact O-N 3.48Å; A562-M566 WeakPolarHBondContact O-CB 3.44Å; A562-M566 PolarHBondContact O-N 3.45Å; A562-Y699 HydrophobicContact CB-CD2 4.24Å
563	G	84.1	Confident	82.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-44.2	178.6	0	0	0	0	0	113.1	I559 Q567	I559-G563 PolarHBondContact O-N 3.3Å; G563-Q567 WeakPolarHBondContact O-CB 3.24Å; G563-Q567 PolarHBondContact O-N 3.39Å
564	K	84.3	Confident	80.9	Confident	22 Å²	22	32 Å²	32	10%	0.096	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-45	173.8	-76.7	178.5	179	-175.3	0	111.9	W508 Y512 I560 M561 Q567 L568	W508-K564 HydrophobicContact CE3-CB 4.4Å; W508-K564 HydrophobicContact CH2-CB 4.07Å; W508-K564 HydrophobicContact CZ3-CB 3.89Å; W508-K564 PolarHBondContact O-NZ 2.99Å; Y512-K564 HydrophobicContact CD2-CD 4.33Å; Y512-K564 HydrophobicContact CD2-CG 3.65Å; Y512-K564 HydrophobicContact CE2-CG 3.94Å; I560-K564 HydrophobicContact CG2-CD 3.93Å; I560-K564 HydrophobicContact CG2-CG 4.39Å; I560-K564 WeakPolarHBondContact O-CB 3.42Å; I560-K564 VanDerWaalsContact O-CG 3.27Å; I560-K564 WeakPolarHBondContact O-CG 3.26Å; I560-K564 PolarHBondContact O-N 2.92Å; M561-K564 PolarHBondContact O-N 2.71Å; K564-Q567 PolarHBondContact O-N 3.25Å; K564-L568 WeakPolarHBondContact O-CB 3.47Å; K564-L568 PolarHBondContact O-N 3.19Å
565	S	85.2	Confident	79.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-45.7	180	-69.5	0	0	0	0	111.6	M561 A562 L568 L569 C703 L706	M561-S565 WeakPolarHBondContact O-CB 3.44Å; M561-S565 PolarHBondContact O-N 3.37Å; M561-S565 PolarHBondContact O-OG 3.15Å; A562-S565 PolarHBondContact O-N 3.48Å; S565-L568 PolarHBondContact O-N 3.16Å; S565-L569 VanDerWaalsContact O-CB 3.25Å; S565-L569 WeakPolarHBondContact O-CB 3.2Å; S565-L569 PolarHBondContact O-N 3Å; S565-C703 PolarHBondContact OG-SG 2.98Å; S565-C703 VanDerWaalsContact OG-SG 3.39Å; S565-L706 WeakPolarHBondContact OG-CD2 3.46Å
566	M	84.8	Confident	77	Confident	24 Å²	24	40 Å²	40	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.2	-177.2	56.3	66.9	0	0	111.6	I480 V481 A562 L568 L569 K570 C702	I480-M566 WeakPolarHBondContact O-CB 3.21Å; I480-M566 WeakPolarHBondContact O-CG 3.48Å; V481-M566 VanDerWaalsContact O-CG 3.26Å; V481-M566 WeakPolarHBondContact O-CG 3.3Å; V481-M566 VanDerWaalsContact O-SD 3.42Å; A562-M566 WeakPolarHBondContact O-CB 3.44Å; A562-M566 PolarHBondContact O-N 3.45Å; M566-L568 PolarHBondContact O-N 3.11Å; M566-L569 PolarHBondContact O-N 2.92Å; M566-L569 HydrophobicContact SD-CD2 4.41Å; M566-K570 HydrophobicContact CG-CG 4.39Å; M566-K570 WeakPolarHBondContact O-CB 3.39Å; M566-K570 WeakPolarHBondContact O-CG 3.5Å; M566-K570 PolarHBondContact O-N 2.89Å; M566-K570 HydrophobicContact SD-CG 4.08Å; M566-C702 HydrophobicContact CE-CB 4.15Å; M566-C702 WeakPolarHBondContact CE-SG 3.47Å
567	Q	84.9	Confident	74.6	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-43.9	176.2	-170.9	177.6	9.5	0	0	112	G483 V502 F507 Y512 G563 K564 N571	G483-Q567 VanDerWaalsContact O-CB 3.25Å; G483-Q567 WeakPolarHBondContact O-CB 3.37Å; G483-Q567 VanDerWaalsContact O-CG 3.24Å; G483-Q567 WeakPolarHBondContact O-CG 3.22Å; V502-Q567 HydrophobicContact CG2-CG 4.43Å; F507-Q567 HydrophobicContact CE2-CG 4.49Å; F507-Q567 HydrophobicContact CZ-CB 4.27Å; F507-Q567 HydrophobicContact CZ-CG 4.12Å; Y512-Q567 VanDerWaalsContact CZ-OE1 3.25Å; Y512-Q567 PolarHBondContact OH-OE1 2.95Å; G563-Q567 WeakPolarHBondContact O-CB 3.24Å; G563-Q567 PolarHBondContact O-N 3.39Å; K564-Q567 PolarHBondContact O-N 3.25Å; Q567-N571 PolarHBondContact O-N 3.33Å; Q567-N571 PolarHBondContact O-ND2 3.22Å
568	L	83.4	Confident	72.1	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-47.3	175.4	-179.6	58.2	0	0	0	110.4	F507 W508 K564 S565 M566 K570 N571 L572 L706 W807 P808 I811 L923	F507-L568 HydrophobicContact CE1-CB 4.21Å; W508-L568 HydrophobicContact CE3-CD2 4.41Å; W508-L568 HydrophobicContact CZ3-CD2 3.98Å; K564-L568 WeakPolarHBondContact O-CB 3.47Å; K564-L568 PolarHBondContact O-N 3.19Å; S565-L568 PolarHBondContact O-N 3.16Å; M566-L568 PolarHBondContact O-N 3.11Å; L568-K570 PolarHBondContact O-N 3.35Å; L568-N571 PolarHBondContact O-N 3.34Å; L568-N571 VanDerWaalsContact O-N 3.14Å; L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 3.93Å; L568-L572 HydrophobicContact CG-CG 4.44Å; L568-L572 VanDerWaalsContact O-CG 3.28Å; L568-L572 WeakPolarHBondContact O-CG 3.41Å; L568-L572 PolarHBondContact O-N 2.69Å; L568-L706 HydrophobicContact CD2-CD1 3.98Å; L568-L706 HydrophobicContact CD2-CD2 4.11Å; L568-L706 HydrophobicContact CG-CD1 4.1Å; L568-W807 HydrophobicContact CD1-CH2 4.34Å; L568-W807 HydrophobicContact CD1-CZ2 3.69Å; L568-P808 HydrophobicContact CD1-CB 4.47Å; L568-I811 HydrophobicContact CD1-CD1 4.16Å; L568-I811 HydrophobicContact CD2-CD1 3.81Å; L568-L923 HydrophobicContact CD2-CD2 4.17Å
569	L	83.9	Confident	70	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-43.8	179.9	-173	64.2	0	0	0	112.4	S565 M566 N571 L572 Q573 N705 L706 T709	S565-L569 VanDerWaalsContact O-CB 3.25Å; S565-L569 WeakPolarHBondContact O-CB 3.2Å; S565-L569 PolarHBondContact O-N 3Å; M566-L569 PolarHBondContact O-N 2.92Å; M566-L569 HydrophobicContact SD-CD2 4.41Å; L569-N571 PolarHBondContact O-N 3.16Å; L569-L572 PolarHBondContact O-N 3.46Å; L569-Q573 HydrophobicContact CD1-CG 4.33Å; L569-Q573 HydrophobicContact CG-CG 4.44Å; L569-Q573 WeakPolarHBondContact O-CB 3.33Å; L569-Q573 WeakPolarHBondContact O-CG 3.31Å; L569-Q573 PolarHBondContact O-N 3.32Å; L569-N705 HydrophobicContact CD2-CB 4.32Å; L569-L706 HydrophobicContact CB-CD1 4.46Å; L569-L706 HydrophobicContact CD1-CD1 4.44Å; L569-T709 HydrophobicContact CD1-CG2 4.19Å
570	K	81.5	Confident	67.6	Low	76 Å²	76	53.5 Å²	53.5	33%	0.33	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-40.6	176	-71.8	-72.8	-175.4	177.4	0	112.2	M566 L568 L572 Q573 C574	M566-K570 HydrophobicContact CG-CG 4.39Å; M566-K570 WeakPolarHBondContact O-CB 3.39Å; M566-K570 WeakPolarHBondContact O-CG 3.5Å; M566-K570 PolarHBondContact O-N 2.89Å; M566-K570 HydrophobicContact SD-CG 4.08Å; L568-K570 PolarHBondContact O-N 3.35Å; K570-L572 VanDerWaalsContact C-N 3.3Å; K570-L572 PolarHBondContact O-N 3.4Å; K570-Q573 PolarHBondContact O-N 3.01Å; K570-C574 WeakPolarHBondContact O-CB 3.34Å; K570-C574 PolarHBondContact O-N 2.88Å
571	N	79.4	Confident	65.2	Low	73 Å²	73	60.4 Å²	60.4	39%	0.39	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-30.2	176.5	-76	-76	0	0	0	112.5	V502 Q567 L568 L569 W807	V502-N571 HydrophobicContact CG1-CB 4.02Å; V502-N571 WeakPolarHBondContact CG1-ND2 3.4Å; Q567-N571 PolarHBondContact O-N 3.33Å; Q567-N571 PolarHBondContact O-ND2 3.22Å; L568-N571 PolarHBondContact O-N 3.34Å; L568-N571 VanDerWaalsContact O-N 3.14Å; L569-N571 PolarHBondContact O-N 3.16Å; N571-W807 HydrophobicContact CB-CH2 4.42Å
572	L	74.4	Confident	62.9	Low	2 Å²	2	62.6 Å²	62.6	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-74.6	-42.9	174.5	-64.1	170.5	0	0	0	112.1	L568 L569 K570 A575 L706 Y714 W807 P808	L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 3.93Å; L568-L572 HydrophobicContact CG-CG 4.44Å; L568-L572 VanDerWaalsContact O-CG 3.28Å; L568-L572 WeakPolarHBondContact O-CG 3.41Å; L568-L572 PolarHBondContact O-N 2.69Å; L569-L572 PolarHBondContact O-N 3.46Å; K570-L572 VanDerWaalsContact C-N 3.3Å; K570-L572 PolarHBondContact O-N 3.4Å; L572-A575 PolarHBondContact O-N 3.41Å; L572-L706 HydrophobicContact CD1-CD1 4.1Å; L572-Y714 HydrophobicContact CB-CE2 4.36Å; L572-Y714 HydrophobicContact CD1-CE2 4.23Å; L572-Y714 HydrophobicContact CD2-CE1 4.33Å; L572-Y714 HydrophobicContact CD2-CE2 3.88Å; L572-Y714 VanDerWaalsContact CD2-OH 3.29Å; L572-Y714 WeakPolarHBondContact CD2-OH 3.46Å; L572-Y714 HydrophobicContact CG-CE2 4.39Å; L572-W807 HydrophobicContact CD2-CE3 4.04Å; L572-W807 HydrophobicContact CD2-CH2 3.28Å; L572-W807 HydrophobicContact CD2-CZ2 4.12Å; L572-W807 HydrophobicContact CD2-CZ3 3.24Å; L572-W807 HydrophobicContact CG-CH2 4.01Å; L572-W807 HydrophobicContact CG-CZ3 4.38Å; L572-P808 HydrophobicContact CD1-CG 4.17Å; L572-P808 HydrophobicContact CD2-CB 3.98Å; L572-P808 HydrophobicContact CD2-CG 3.62Å
573	Q	66.3	Low	60.8	Low	69 Å²	69	65.4 Å²	65.4	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-75.7	-27	-179	-71.7	177.2	-8.8	0	0	113.9	L569 K570 A575 E576 S577	L569-Q573 HydrophobicContact CD1-CG 4.33Å; L569-Q573 HydrophobicContact CG-CG 4.44Å; L569-Q573 WeakPolarHBondContact O-CB 3.33Å; L569-Q573 WeakPolarHBondContact O-CG 3.31Å; L569-Q573 PolarHBondContact O-N 3.32Å; K570-Q573 PolarHBondContact O-N 3.01Å; Q573-A575 PolarHBondContact O-N 3.25Å; Q573-E576 PolarHBondContact O-N 2.86Å; Q573-S577 PolarHBondContact O-N 2.84Å; Q573-S577 PolarHBondContact O-OG 3.37Å; Q573-S577 VanDerWaalsContact O-OG 3.11Å
574	C	51.3	Low	58.4	Low	101 Å²	101	68.9 Å²	68.9	68%	0.682	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	176.1	-165	0	0	0	0	112.4	K570	K570-C574 WeakPolarHBondContact O-CB 3.34Å; K570-C574 PolarHBondContact O-N 2.88Å
575	A	44.2	Very low	56.5	Low	85 Å²	85	77.6 Å²	77.6	70%	0.702	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.6	171.2	0	0	0	0	0	113.6	L572 Q573	L572-A575 PolarHBondContact O-N 3.41Å; Q573-A575 PolarHBondContact O-N 3.25Å
576	E	40.5	Very low	54.6	Low	153 Å²	153	80.4 Å²	80.4	72%	0.715	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-10.8	-172.3	-72	-174.3	162.8	0	0	115	Q573	Q573-E576 PolarHBondContact O-N 2.86Å
577	S	31.2	Very low	52.6	Low	74 Å²	74	83.5 Å²	83.5	52%	0.517	50%	0.501	S	S	.	.			trans	-135.9	112.5	-179.6	57.3	0	0	0	0	113.6	Q573 T579	Q573-S577 PolarHBondContact O-N 2.84Å; Q573-S577 PolarHBondContact O-OG 3.37Å; Q573-S577 VanDerWaalsContact O-OG 3.11Å; S577-T579 PolarHBondContact O-N 3.42Å
578	T	31.5	Very low	50.9	Low	142 Å²	142	91.3 Å²	91.3	87%	0.871	54%	0.538	S	S	*	.			trans	-52.5	119.1	158	-1.7	0	0	0	0	109.1	C580	T578-C580 PolarHBondContact O-N 3.32Å
579	T	41.1	Very low	49.7	Very low	121 Å²	121	95.6 Å²	95.6	74%	0.742	55%	0.554	S	S	*	*	S	Bend	trans	-37.2	123	168	47.2	0	0	0	0	112.7	S577	S577-T579 PolarHBondContact O-N 3.42Å
580	C	33.7	Very low	48.8	Very low	128 Å²	128	100.4 Å²	100.4	87%	0.865	58%	0.575	S	S	*	*	S	Bend	trans	-179.6	-7.1	147.9	-99.4	0	0	0	0	115.9	T578	T578-C580 PolarHBondContact O-N 3.32Å
581	Q	35.9	Very low	48.3	Very low	174 Å²	174	98.5 Å²	98.5	81%	0.813	57%	0.571	S	S	*	*	S	Bend	trans	-106.9	-9.2	-178.3	-71.3	-172.2	-4.8	0	0	116.2
582	A	34.8	Very low	47.8	Very low	57 Å²	57	95.2 Å²	95.2	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-74.3	-39	-177.3	0	0	0	0	0	113.5	A584 R585 D586	A582-A584 PolarHBondContact O-N 3.47Å; A582-A584 VanDerWaalsContact O-N 3.14Å; A582-R585 PolarHBondContact O-N 2.87Å; A582-R585 VanDerWaalsContact O-N 3.16Å; A582-D586 PolarHBondContact O-N 2.85Å
583	G	39.6	Very low	47.3	Very low	58 Å²	58	95.4 Å²	95.4	60%	0.598	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-21.3	-176.2	0	0	0	0	0	115.1
584	A	35.4	Very low	47.6	Very low	73 Å²	73	94.5 Å²	94.5	60%	0.603	55%	0.553	S	S	*	*	H	α-helix	trans	-78.7	-27.4	178	0	0	0	0	0	113.2	A582	A582-A584 PolarHBondContact O-N 3.47Å; A582-A584 VanDerWaalsContact O-N 3.14Å
585	R	44.3	Very low	48.4	Very low	206 Å²	206	91.6 Å²	91.6	78%	0.777	53%	0.531	S	S	*	.	H	α-helix	trans	-86.9	-25	175.7	-69.5	-170.4	-174.7	-179.5	2.8	113	A582	A582-R585 PolarHBondContact O-N 2.87Å; A582-R585 VanDerWaalsContact O-N 3.16Å
586	D	45.3	Very low	49.5	Very low	59 Å²	59	87.6 Å²	87.6	32%	0.316	50%	0.497	S	S	.	.	H	α-helix	trans	-76.5	-25.9	178.3	-70.8	-32.8	0	0	0	112.5	A582 E588 R589	A582-D586 PolarHBondContact O-N 2.85Å; D586-E588 VanDerWaalsContact C-N 3.34Å; D586-E588 PolarHBondContact O-N 3.31Å; D586-R589 PolarHBondContact O-N 3.29Å
587	A	42.9	Very low	50.8	Low	88 Å²	88	83.4 Å²	83.4	73%	0.727	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.1	178.4	0	0	0	0	0	114.3
588	E	48.3	Very low	52.7	Low	175 Å²	175	83.6 Å²	83.6	82%	0.818	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.9	177	-67.3	-179.6	170.3	0	0	112.7	D586	D586-E588 VanDerWaalsContact C-N 3.34Å; D586-E588 PolarHBondContact O-N 3.31Å
589	R	58.4	Low	54.1	Low	92 Å²	92	77.8 Å²	77.8	35%	0.347	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-89.2	124.3	-172	-174.9	177.1	168.3	150.9	-0.4	111.6	D586	D586-R589 PolarHBondContact O-N 3.29Å
590	K	64.5	Low	55.1	Low	103 Å²	103	72.7 Å²	72.7	45%	0.448	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.6	131.9	169.9	-60.3	-173.2	-173.5	-173.8	0	110.4	L595 E598	K590-L595 HydrophobicContact CB-CD2 3.92Å; K590-L595 HydrophobicContact CB-CG 3.96Å; K590-L595 HydrophobicContact CD-CD2 4.15Å; K590-E598 WeakPolarHBondContact CD-OE1 3.11Å; K590-E598 WeakPolarHBondContact CD-OE2 3.28Å; K590-E598 WeakPolarHBondContact CE-OE1 3.25Å; K590-E598 IonicContact NZ-OE1 2.76Å; K590-E598 PolarHBondContact NZ-OE1 3.39Å; K590-E598 IonicContact NZ-OE2 3.61Å; K590-E598 PolarHBondContact NZ-OE2 3.16Å
591	S	70.9	Confident	56.2	Low	36 Å²	36	70.5 Å²	70.5	25%	0.252	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.7	155.1	173.6	70.5	0	0	0	0	112.3	D477 Y593 T594 L595	D477-S591 WeakPolarHBondContact OD2-CA 3.35Å; D477-S591 WeakPolarHBondContact OD2-CB 3.33Å; S591-Y593 PolarHBondContact O-N 3.4Å; S591-Y593 VanDerWaalsContact O-N 3.16Å; S591-T594 WeakPolarHBondContact CA-OG1 3.47Å; S591-T594 PolarHBondContact N-OG1 3.49Å; S591-T594 PolarHBondContact O-N 3.12Å; S591-T594 PolarHBondContact O-OG1 2.63Å; S591-T594 WeakPolarHBondContact OG-CG2 3.21Å; S591-T594 PolarHBondContact OG-N 2.89Å; S591-T594 VanDerWaalsContact OG-N 3.16Å; S591-T594 PolarHBondContact OG-OG1 3.22Å; S591-L595 PolarHBondContact O-N 2.93Å
592	L	69.1	Low	57.3	Low	3 Å²	3	64.5 Å²	64.5	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-55	-33.8	174.1	-77.5	174.8	0	0	0	112.5	V476 D477 I480 F596 H694	V476-L592 HydrophobicContact CG1-CD1 4.28Å; D477-L592 HydrophobicContact CB-CB 4.12Å; D477-L592 HydrophobicContact CB-CD1 3.85Å; D477-L592 HydrophobicContact CB-CG 4.05Å; D477-L592 WeakPolarHBondContact OD1-CG 3.42Å; D477-L592 PolarHBondContact OD2-N 2.95Å; I480-L592 HydrophobicContact CD1-CD1 4.34Å; L592-F596 VanDerWaalsContact O-CB 3.3Å; L592-F596 WeakPolarHBondContact O-CB 3.36Å; L592-F596 PolarHBondContact O-N 2.79Å; L592-H694 HydrophobicContact CD2-CB 4.04Å
593	Y	63.8	Low	58.2	Low	7 Å²	7	66.8 Å²	66.8	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-46.6	176	-178.8	-100.7	0	0	0	112	V466 E467 R470 L473 S591 F596 L597	V466-Y593 HydrophobicContact CG1-CE2 4.08Å; V466-Y593 WeakPolarHBondContact CG1-OH 3.29Å; V466-Y593 WeakPolarHBondContact O-CE2 3.47Å; E467-Y593 PolarHBondContact OE1-OH 3.48Å; R470-Y593 HydrophobicContact CB-CD2 4.15Å; R470-Y593 HydrophobicContact CB-CE2 3.8Å; R470-Y593 HydrophobicContact CG-CD1 4.29Å; R470-Y593 HydrophobicContact CG-CD2 4.14Å; R470-Y593 HydrophobicContact CG-CE1 4.17Å; R470-Y593 HydrophobicContact CG-CE2 4.02Å; R470-Y593 HydrophobicContact CG-CG 4.27Å; R470-Y593 PolarHBondContact NE-OH 3.13Å; R470-Y593 PolarHBondContact NH2-OH 2.94Å; R470-Y593 VanDerWaalsContact NH2-OH 3.08Å; L473-Y593 HydrophobicContact CD1-CD2 4.27Å; S591-Y593 PolarHBondContact O-N 3.4Å; S591-Y593 VanDerWaalsContact O-N 3.16Å; Y593-F596 WeakPolarHBondContact O-CB 3.31Å; Y593-F596 PolarHBondContact O-N 2.83Å; Y593-L597 HydrophobicContact CD1-CD1 4Å; Y593-L597 HydrophobicContact CE1-CD1 3.42Å; Y593-L597 VanDerWaalsContact CE1-CD1 3.42Å; Y593-L597 HydrophobicContact CE1-CG 4.23Å; Y593-L597 WeakPolarHBondContact O-CG 3.28Å; Y593-L597 PolarHBondContact O-N 2.9Å
594	T	73.1	Confident	58.7	Low	50 Å²	50	69.1 Å²	69.1	31%	0.307	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-38.2	177	43.2	0	0	0	0	112.6	S591 L597 E598	S591-T594 WeakPolarHBondContact CA-OG1 3.47Å; S591-T594 PolarHBondContact N-OG1 3.49Å; S591-T594 PolarHBondContact O-N 3.12Å; S591-T594 PolarHBondContact O-OG1 2.63Å; S591-T594 WeakPolarHBondContact OG-CG2 3.21Å; S591-T594 PolarHBondContact OG-N 2.89Å; S591-T594 VanDerWaalsContact OG-N 3.16Å; S591-T594 PolarHBondContact OG-OG1 3.22Å; T594-L597 PolarHBondContact O-N 2.91Å; T594-E598 WeakPolarHBondContact O-CG 3.25Å; T594-E598 PolarHBondContact O-N 3.44Å
595	L	67.9	Low	59	Low	40 Å²	40	73.9 Å²	73.9	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-39	175.2	-69.4	172.8	0	0	0	111.9	K590 S591 E598 S599	K590-L595 HydrophobicContact CB-CD2 3.92Å; K590-L595 HydrophobicContact CB-CG 3.96Å; K590-L595 HydrophobicContact CD-CD2 4.15Å; S591-L595 PolarHBondContact O-N 2.93Å; L595-E598 PolarHBondContact O-N 3.45Å; L595-S599 WeakPolarHBondContact O-CB 3.36Å; L595-S599 PolarHBondContact O-N 2.92Å
596	F	67.9	Low	58.6	Low	1 Å²	1	69.7 Å²	69.7	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-47.6	172.9	170.2	-108.4	0	0	0	111.3	W465 V466 L592 Y593 E598 S599 V600 L687 C690 L691	W465-F596 HydrophobicContact CZ3-CE1 4.24Å; W465-F596 HydrophobicContact CZ3-CZ 4.06Å; V466-F596 HydrophobicContact CG2-CE1 4.36Å; L592-F596 VanDerWaalsContact O-CB 3.3Å; L592-F596 WeakPolarHBondContact O-CB 3.36Å; L592-F596 PolarHBondContact O-N 2.79Å; Y593-F596 WeakPolarHBondContact O-CB 3.31Å; Y593-F596 PolarHBondContact O-N 2.83Å; F596-E598 PolarHBondContact O-N 2.96Å; F596-S599 PolarHBondContact O-N 3.49Å; F596-V600 HydrophobicContact CD2-CG2 4.06Å; F596-V600 HydrophobicContact CE1-CG2 4.19Å; F596-V600 HydrophobicContact CE2-CG2 3.62Å; F596-V600 HydrophobicContact CZ-CG2 3.71Å; F596-V600 VanDerWaalsContact O-CG2 3.28Å; F596-V600 WeakPolarHBondContact O-CG2 3.46Å; F596-V600 PolarHBondContact O-N 3.47Å; F596-L687 HydrophobicContact CE2-CD2 4.06Å; F596-L687 HydrophobicContact CZ-CD2 4.17Å; F596-C690 HydrophobicContact CD2-CB 4Å; F596-C690 HydrophobicContact CE2-CB 4.08Å; F596-L691 HydrophobicContact CB-CD1 4.27Å; F596-L691 HydrophobicContact CD2-CB 3.81Å; F596-L691 HydrophobicContact CD2-CD1 4.26Å; F596-L691 HydrophobicContact CE2-CB 4.15Å; F596-L691 HydrophobicContact CG-CD1 4.42Å
597	L	66.9	Low	58.4	Low	64 Å²	64	70.5 Å²	70.5	34%	0.335	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-43	177.1	-70.4	179.5	0	0	0	112.4	V466 Y593 T594 S599 V600 Q601	V466-L597 HydrophobicContact CG1-CD2 3.82Å; Y593-L597 HydrophobicContact CD1-CD1 4Å; Y593-L597 HydrophobicContact CE1-CD1 3.42Å; Y593-L597 VanDerWaalsContact CE1-CD1 3.42Å; Y593-L597 HydrophobicContact CE1-CG 4.23Å; Y593-L597 WeakPolarHBondContact O-CG 3.28Å; Y593-L597 PolarHBondContact O-N 2.9Å; T594-L597 PolarHBondContact O-N 2.91Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.4Å; L597-V600 PolarHBondContact O-N 2.99Å; L597-Q601 VanDerWaalsContact O-CB 3.31Å; L597-Q601 WeakPolarHBondContact O-CB 3.48Å; L597-Q601 PolarHBondContact O-N 3.23Å
598	E	70.7	Confident	58	Low	78 Å²	78	73.5 Å²	73.5	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-37.4	176.1	-74.9	177.1	-174.5	0	0	112.3	K590 T594 L595 F596 Q601 S602	K590-E598 WeakPolarHBondContact CD-OE1 3.11Å; K590-E598 WeakPolarHBondContact CD-OE2 3.28Å; K590-E598 WeakPolarHBondContact CE-OE1 3.25Å; K590-E598 IonicContact NZ-OE1 2.76Å; K590-E598 PolarHBondContact NZ-OE1 3.39Å; K590-E598 IonicContact NZ-OE2 3.61Å; K590-E598 PolarHBondContact NZ-OE2 3.16Å; T594-E598 WeakPolarHBondContact O-CG 3.25Å; T594-E598 PolarHBondContact O-N 3.44Å; L595-E598 PolarHBondContact O-N 3.45Å; F596-E598 PolarHBondContact O-N 2.96Å; E598-Q601 PolarHBondContact O-N 2.95Å; E598-S602 WeakPolarHBondContact O-CB 3.45Å; E598-S602 PolarHBondContact O-N 3.41Å; E598-S602 PolarHBondContact O-OG 2.94Å
599	S	60.7	Low	57.4	Low	20 Å²	20	71 Å²	71	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-73.1	-33.9	176.9	-175.7	0	0	0	0	112.9	L595 F596 L597 S602 R603 C690	L595-S599 WeakPolarHBondContact O-CB 3.36Å; L595-S599 PolarHBondContact O-N 2.92Å; F596-S599 PolarHBondContact O-N 3.49Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.4Å; S599-S602 WeakPolarHBondContact CA-OG 3.22Å; S599-S602 PolarHBondContact O-OG 3.17Å; S599-S602 VanDerWaalsContact O-OG 3.1Å; S599-R603 WeakPolarHBondContact O-CB 3.45Å; S599-R603 PolarHBondContact O-N 3.27Å; S599-C690 PolarHBondContact O-SG 2.85Å; S599-C690 VanDerWaalsContact O-SG 3.4Å; S599-C690 WeakPolarHBondContact OG-CA 3.37Å; S599-C690 WeakPolarHBondContact OG-CB 3.34Å; S599-C690 PolarHBondContact OG-SG 2.71Å
600	V	62	Low	56	Low	14 Å²	14	72 Å²	72	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-66.9	-45	171.6	171.2	0	0	0	0	109.6	F462 F596 L597 S602 R603 L604 T686 C690	F462-V600 HydrophobicContact CZ-CG1 4.37Å; F596-V600 HydrophobicContact CD2-CG2 4.06Å; F596-V600 HydrophobicContact CE1-CG2 4.19Å; F596-V600 HydrophobicContact CE2-CG2 3.62Å; F596-V600 HydrophobicContact CZ-CG2 3.71Å; F596-V600 VanDerWaalsContact O-CG2 3.28Å; F596-V600 WeakPolarHBondContact O-CG2 3.46Å; F596-V600 PolarHBondContact O-N 3.47Å; L597-V600 PolarHBondContact O-N 2.99Å; V600-S602 PolarHBondContact O-N 3.4Å; V600-R603 PolarHBondContact O-N 2.87Å; V600-L604 HydrophobicContact CG1-CD1 3.93Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.25Å; V600-L604 PolarHBondContact O-N 3.47Å; V600-T686 HydrophobicContact CG2-CG2 4.04Å; V600-C690 HydrophobicContact CG2-CB 3.98Å
601	Q	57.9	Low	54.2	Low	82 Å²	82	73.3 Å²	73.3	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-40.6	177.2	-168.5	178.5	17.6	0	0	112.1	L597 E598 L604 R605	L597-Q601 VanDerWaalsContact O-CB 3.31Å; L597-Q601 WeakPolarHBondContact O-CB 3.48Å; L597-Q601 PolarHBondContact O-N 3.23Å; E598-Q601 PolarHBondContact O-N 2.95Å; Q601-L604 PolarHBondContact O-N 3.34Å; Q601-R605 WeakPolarHBondContact O-CB 3.46Å; Q601-R605 VanDerWaalsContact O-CG 3.31Å; Q601-R605 WeakPolarHBondContact O-CG 3.38Å; Q601-R605 PolarHBondContact O-N 3.3Å
602	S	57.9	Low	52.6	Low	49 Å²	49	77.6 Å²	77.6	34%	0.343	43%	0.425	S	S	.	.	H	α-helix	trans	-70.1	-34.8	177.8	70.6	0	0	0	0	112.6	E598 S599 V600 R605 H606	E598-S602 WeakPolarHBondContact O-CB 3.45Å; E598-S602 PolarHBondContact O-N 3.41Å; E598-S602 PolarHBondContact O-OG 2.94Å; S599-S602 WeakPolarHBondContact CA-OG 3.22Å; S599-S602 PolarHBondContact O-OG 3.17Å; S599-S602 VanDerWaalsContact O-OG 3.1Å; V600-S602 PolarHBondContact O-N 3.4Å; S602-R605 CarbonylContact O-C 3.56Å; S602-R605 PolarHBondContact O-N 3.06Å; S602-H606 WeakPolarHBondContact O-CB 3.43Å; S602-H606 PolarHBondContact O-CD2 3.47Å; S602-H606 VanDerWaalsContact O-CD2 3.23Å; S602-H606 PolarHBondContact O-N 3.05Å
603	R	53.9	Low	50.4	Low	104 Å²	104	86.1 Å²	86.1	39%	0.392	46%	0.464	S	S	.	.	H	α-helix	trans	-66.5	-43.4	172.4	177.5	-172.2	-61.2	-78.2	-36.5	112.2	S599 V600 R605 H606 G607 S689 C690	S599-R603 WeakPolarHBondContact O-CB 3.45Å; S599-R603 PolarHBondContact O-N 3.27Å; V600-R603 PolarHBondContact O-N 2.87Å; R603-R605 PolarHBondContact O-N 3.24Å; R603-H606 PolarHBondContact O-N 2.92Å; R603-H606 VanDerWaalsContact O-N 3.14Å; R603-G607 PolarHBondContact O-N 3.43Å; R603-S689 VanDerWaalsContact CZ-CB 3.46Å; R603-S689 PolarHBondContact NE-OG 3.05Å; R603-S689 PolarHBondContact NH1-OG 3.07Å; R603-S689 PolarHBondContact NH2-OG 3.32Å; R603-C690 PolarHBondContact NE-SG 3.45Å
604	L	50.2	Low	48.9	Very low	108 Å²	108	91.7 Å²	91.7	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-63.5	-32.7	175.9	-70.6	168	0	0	0	111.1	V600 Q601 I648	V600-L604 HydrophobicContact CG1-CD1 3.93Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.25Å; V600-L604 PolarHBondContact O-N 3.47Å; Q601-L604 PolarHBondContact O-N 3.34Å; L604-I648 HydrophobicContact CD1-CD1 4.31Å
605	R	42.2	Very low	46.9	Very low	172 Å²	172	96.3 Å²	96.3	65%	0.649	52%	0.521	S	S	*	.	H	α-helix	trans	-76	-31.2	170.3	-70.6	-176.5	177.2	-148.9	-0	113.6	Q601 S602 R603 G607	Q601-R605 WeakPolarHBondContact O-CB 3.46Å; Q601-R605 VanDerWaalsContact O-CG 3.31Å; Q601-R605 WeakPolarHBondContact O-CG 3.38Å; Q601-R605 PolarHBondContact O-N 3.3Å; S602-R605 CarbonylContact O-C 3.56Å; S602-R605 PolarHBondContact O-N 3.06Å; R603-R605 PolarHBondContact O-N 3.24Å; R605-G607 VanDerWaalsContact C-N 3.34Å; R605-G607 PolarHBondContact O-N 3.43Å
606	H	37	Very low	45.5	Very low	119 Å²	119	100.4 Å²	100.4	55%	0.551	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-85.5	6.7	-179.1	-86.4	-57	0	0	0	115	S602 R603 E608 D609	S602-H606 WeakPolarHBondContact O-CB 3.43Å; S602-H606 PolarHBondContact O-CD2 3.47Å; S602-H606 VanDerWaalsContact O-CD2 3.23Å; S602-H606 PolarHBondContact O-N 3.05Å; R603-H606 PolarHBondContact O-N 2.92Å; R603-H606 VanDerWaalsContact O-N 3.14Å; H606-E608 PolarHBondContact O-N 3.48Å; H606-D609 PolarHBondContact O-N 2.89Å
607	G	39.1	Very low	44	Very low	75 Å²	75	109.1 Å²	109.1	77%	0.773	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-61.8	-14.7	159.9	0	0	0	0	0	113	R603 R605	R603-G607 PolarHBondContact O-N 3.43Å; R605-G607 VanDerWaalsContact C-N 3.34Å; R605-G607 PolarHBondContact O-N 3.43Å
608	E	34.6	Very low	42.3	Very low	151 Å²	151	113.7 Å²	113.7	71%	0.706	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-93.4	-5	178.7	-68.2	-175.8	145.7	0	0	114.7	H606	H606-E608 PolarHBondContact O-N 3.48Å
609	D	36.5	Very low	40.7	Very low	124 Å²	124	118.3 Å²	118.3	66%	0.663	63%	0.63	S	S	*	*			trans	-136.4	88	-172.3	-81.9	-37.5	0	0	0	114.7	H606	H606-D609 PolarHBondContact O-N 2.89Å
610	S	29.9	Very low	39.3	Very low	113 Å²	113	120.9 Å²	120.9	79%	0.79	65%	0.652	S	S	*	*			trans	-150.3	108.5	140.1	63.5	0	0	0	0	106.9
611	T	26.5	Very low	38	Very low	130 Å²	130	124.3 Å²	124.3	80%	0.798	67%	0.673	S	S	*	*				-156.8	148.7	61.6	49.6	0	0	0	0	112.4	Q613	T611-Q613 PolarHBondContact O-N 3.37Å
612	P	37.1	Very low	37	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	69%	0.685	S	S	*	*			trans	-86.7	102.6	166.7	33.3	-26.1	0	0	0	109.9
613	Q	23.6	Very low	35.8	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	69%	0.692	S	S	*	*			trans	-168.4	95.2	142.8	-109.4	171.2	6.3	0	0	112.1	T611	T611-Q613 PolarHBondContact O-N 3.37Å
614	V	31.7	Very low	34.9	Very low	125 Å²	125	130.3 Å²	130.3	76%	0.758	70%	0.701	S	S	*	*			trans	40.8	103.4	136.8	-166.1	0	0	0	0	117.3
615	L	30.4	Very low	34.3	Very low	147 Å²	147	128.7 Å²	128.7	77%	0.77	69%	0.693	S	S	*	*				175.2	122.2	106.4	-89.2	166.9	0	0	0	111.5
616	T	39.3	Very low	34	Very low	125 Å²	125	126.9 Å²	126.9	77%	0.767	69%	0.693	S	S	*	*	S	Bend	trans	43	87.3	149.9	39.6	0	0	0	0	119
617	E	35	Very low	34	Very low	185 Å²	185	125.5 Å²	125.5	86%	0.864	69%	0.686	S	S	*	*			trans	-168.5	37	152.8	-112.7	166.5	-155.6	0	0	113.6
618	Q	33	Very low	33.6	Very low	160 Å²	160	126.2 Å²	126.2	75%	0.748	67%	0.67	S	S	*	*			trans	-117.7	47.5	-171.6	-74.2	-171.5	-26.1	0	0	115.2
619	Q	36	Very low	33.6	Very low	175 Å²	175	124 Å²	124	82%	0.818	66%	0.66	S	S	*	*	S	Bend	trans	-115.9	-22.6	170.2	-96.1	161	-36.3	0	0	114.3
620	A	31.5	Very low	33.7	Very low	73 Å²	73	121.5 Å²	121.5	60%	0.603	65%	0.652	S	S	*	*	H	α-helix	trans	-84.2	-28.8	175.6	0	0	0	0	0	113.6
621	T	34.9	Very low	34.1	Very low	87 Å²	87	121 Å²	121	53%	0.534	64%	0.64	S	S	.	*	H	α-helix	trans	-79.7	-26.4	-178.5	46.5	0	0	0	0	113.3	L625	T621-L625 PolarHBondContact O-N 3.17Å
622	K	35.9	Very low	34.5	Very low	147 Å²	147	116.7 Å²	116.7	64%	0.639	62%	0.617	S	S	*	*	H	α-helix	trans	-74.9	-33.9	179.2	-118.7	177.1	179.8	176.8	0	113.5	M626	K622-M626 PolarHBondContact O-N 3.34Å
623	E	33	Very low	34.5	Very low	101 Å²	101	116.3 Å²	116.3	47%	0.472	60%	0.604	S	S	.	*	H	α-helix	trans	-73.6	-34	177.9	-78.4	-170.9	156.1	0	0	112.7	S125 K627	S125-E623 PolarHBondContact OG-OE2 3Å; E623-K627 PolarHBondContact O-N 2.68Å
624	N	35.3	Very low	35.3	Very low	112 Å²	112	110.5 Å²	110.5	60%	0.599	58%	0.584	S	S	*	*	H	α-helix	trans	-73.3	-35.4	175.4	-71	-23.1	0	0	0	111.9	M628	N624-M628 WeakPolarHBondContact O-CB 3.38Å; N624-M628 PolarHBondContact O-N 2.71Å; N624-M628 VanDerWaalsContact O-N 3.12Å
625	L	37.1	Very low	35.5	Very low	75 Å²	75	111.4 Å²	111.4	39%	0.393	58%	0.58	S	S	.	*	H	α-helix	trans	-66	-37.8	175.8	-140.3	89.3	0	0	0	112.6	T621 M628 Q629	T621-L625 PolarHBondContact O-N 3.17Å; L625-M628 PolarHBondContact O-N 3.38Å; L625-Q629 WeakPolarHBondContact O-CG 3.29Å; L625-Q629 PolarHBondContact O-N 3.36Å
626	M	36.8	Very low	36	Very low	133 Å²	133	107.5 Å²	107.5	66%	0.655	56%	0.559	S	S	*	*	H	α-helix	trans	-74.9	-34.3	178.8	-77.2	-160.7	176.3	0	0	113.5	K622 M628 S630	K622-M626 PolarHBondContact O-N 3.34Å; M626-M628 VanDerWaalsContact C-N 3.3Å; M626-S630 WeakPolarHBondContact O-CB 3.45Å; M626-S630 PolarHBondContact O-N 3.14Å; M626-S630 VanDerWaalsContact O-N 3.08Å
627	K	35.9	Very low	35.9	Very low	90 Å²	90	109.3 Å²	109.3	39%	0.391	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-34.9	170.5	-82.8	179.9	177.7	170.9	0	112	E623 I631	E623-K627 PolarHBondContact O-N 2.68Å; K627-I631 WeakPolarHBondContact O-CD1 3.36Å; K627-I631 VanDerWaalsContact O-CG1 3.26Å; K627-I631 WeakPolarHBondContact O-CG1 3.34Å; K627-I631 PolarHBondContact O-N 3.33Å; K627-I631 VanDerWaalsContact O-N 3.16Å
628	M	31.9	Very low	36.1	Very low	91 Å²	91	107.4 Å²	107.4	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-73.2	-35.9	179.3	-153.7	177	76.9	0	0	112.4	N624 L625 M626 A632	N624-M628 WeakPolarHBondContact O-CB 3.38Å; N624-M628 PolarHBondContact O-N 2.71Å; N624-M628 VanDerWaalsContact O-N 3.12Å; L625-M628 PolarHBondContact O-N 3.38Å; M626-M628 VanDerWaalsContact C-N 3.3Å; M628-A632 WeakPolarHBondContact O-CB 3.27Å; M628-A632 PolarHBondContact O-N 3.19Å; M628-A632 VanDerWaalsContact O-N 3.09Å
629	Q	35.3	Very low	36.1	Very low	104 Å²	104	105.5 Å²	105.5	49%	0.486	55%	0.549	S	S	.	.	H	α-helix	trans	-69.1	-38.5	172.3	-77.8	176.7	-17.5	0	0	112.5	L625 A632 E633	L625-Q629 WeakPolarHBondContact O-CG 3.29Å; L625-Q629 PolarHBondContact O-N 3.36Å; Q629-A632 PolarHBondContact O-N 3.29Å; Q629-E633 WeakPolarHBondContact O-CB 3.25Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 2.96Å
630	S	37.5	Very low	36.2	Very low	71 Å²	71	105.5 Å²	105.5	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-32.6	177.6	-178.7	0	0	0	0	113.4	M626 S634	M626-S630 WeakPolarHBondContact O-CB 3.45Å; M626-S630 PolarHBondContact O-N 3.14Å; M626-S630 VanDerWaalsContact O-N 3.08Å; S630-S634 WeakPolarHBondContact O-CB 3.14Å; S630-S634 PolarHBondContact O-N 3.42Å; S630-S634 PolarHBondContact O-OG 3.3Å
631	I	38.6	Very low	36.6	Very low	104 Å²	104	107.2 Å²	107.2	53%	0.533	56%	0.557	S	S	.	*	H	α-helix	trans	-73.2	-38.5	173.2	-64.1	164.5	0	0	0	110.5	K627 S634 H635	K627-I631 WeakPolarHBondContact O-CD1 3.36Å; K627-I631 VanDerWaalsContact O-CG1 3.26Å; K627-I631 WeakPolarHBondContact O-CG1 3.34Å; K627-I631 PolarHBondContact O-N 3.33Å; K627-I631 VanDerWaalsContact O-N 3.16Å; I631-S634 WeakPolarHBondContact CA-OG 3.24Å; I631-S634 PolarHBondContact O-OG 3.22Å; I631-S634 VanDerWaalsContact O-OG 3.1Å; I631-H635 PolarHBondContact O-CD2 2.86Å; I631-H635 VanDerWaalsContact O-CD2 3.29Å; I631-H635 PolarHBondContact O-N 3.37Å
632	A	35.6	Very low	36.7	Very low	39 Å²	39	110.4 Å²	110.4	32%	0.322	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-41	174.1	0	0	0	0	0	112.2	M628 Q629 H635 L636	M628-A632 WeakPolarHBondContact O-CB 3.27Å; M628-A632 PolarHBondContact O-N 3.19Å; M628-A632 VanDerWaalsContact O-N 3.09Å; Q629-A632 PolarHBondContact O-N 3.29Å; A632-H635 PolarHBondContact O-N 2.97Å; A632-L636 VanDerWaalsContact O-CB 3.29Å; A632-L636 WeakPolarHBondContact O-CB 3.33Å; A632-L636 VanDerWaalsContact O-CD1 3.29Å; A632-L636 WeakPolarHBondContact O-CD1 3.42Å; A632-L636 VanDerWaalsContact O-CG 3.26Å; A632-L636 WeakPolarHBondContact O-CG 3.25Å; A632-L636 PolarHBondContact O-N 3.18Å
633	E	36.8	Very low	36.9	Very low	118 Å²	118	106.5 Å²	106.5	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-66.9	-42.2	176.3	-79.2	175	166.5	0	0	112	Q629 H635 L636 E637	Q629-E633 WeakPolarHBondContact O-CB 3.25Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 2.96Å; E633-H635 VanDerWaalsContact C-N 3.28Å; E633-H635 PolarHBondContact O-N 3.15Å; E633-L636 CarbonylContact O-C 3.6Å; E633-L636 PolarHBondContact O-N 3.37Å; E633-E637 WeakPolarHBondContact O-CG 3.24Å; E633-E637 PolarHBondContact O-N 3.23Å
634	S	39	Very low	37.4	Very low	59 Å²	59	104.3 Å²	104.3	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-67.6	-23.7	176.9	51.2	0	0	0	0	114.4	S630 I631	S630-S634 WeakPolarHBondContact O-CB 3.14Å; S630-S634 PolarHBondContact O-N 3.42Å; S630-S634 PolarHBondContact O-OG 3.3Å; I631-S634 WeakPolarHBondContact CA-OG 3.24Å; I631-S634 PolarHBondContact O-OG 3.22Å; I631-S634 VanDerWaalsContact O-OG 3.1Å
635	H	36.6	Very low	37.7	Very low	144 Å²	144	103.1 Å²	103.1	67%	0.667	54%	0.539	S	S	*	.	H	α-helix	trans	-87.4	-15.2	169	-79.7	-72.2	0	0	0	113.6	I631 A632 E633	I631-H635 PolarHBondContact O-CD2 2.86Å; I631-H635 VanDerWaalsContact O-CD2 3.29Å; I631-H635 PolarHBondContact O-N 3.37Å; A632-H635 PolarHBondContact O-N 2.97Å; E633-H635 VanDerWaalsContact C-N 3.28Å; E633-H635 PolarHBondContact O-N 3.15Å
636	L	40.3	Very low	37.9	Very low	64 Å²	64	104.3 Å²	104.3	34%	0.335	55%	0.545	S	S	.	.	H	α-helix	trans	-93.4	-13.6	176.7	-83	161.4	0	0	0	113.5	A632 E633 L638	A632-L636 VanDerWaalsContact O-CB 3.29Å; A632-L636 WeakPolarHBondContact O-CB 3.33Å; A632-L636 VanDerWaalsContact O-CD1 3.29Å; A632-L636 WeakPolarHBondContact O-CD1 3.42Å; A632-L636 VanDerWaalsContact O-CG 3.26Å; A632-L636 WeakPolarHBondContact O-CG 3.25Å; A632-L636 PolarHBondContact O-N 3.18Å; E633-L636 CarbonylContact O-C 3.6Å; E633-L636 PolarHBondContact O-N 3.37Å; L636-L638 VanDerWaalsContact C-N 3.32Å
637	E	37.9	Very low	38.1	Very low	163 Å²	163	100.3 Å²	100.3	76%	0.762	53%	0.534	S	S	*	.	S	Bend	trans	-82.3	-8.1	173.6	-75.3	179	-179.5	0	0	113.4	E633	E633-E637 WeakPolarHBondContact O-CG 3.24Å; E633-E637 PolarHBondContact O-N 3.23Å
638	L	40.1	Very low	38.5	Very low	146 Å²	146	99.7 Å²	99.7	76%	0.764	53%	0.534	S	S	*	.	S	Bend	trans	-88.4	-14.9	-177.6	-126.5	113.5	0	0	0	114.3	L636	L636-L638 VanDerWaalsContact C-N 3.32Å
639	D	33.3	Very low	38.9	Very low	120 Å²	120	98 Å²	98	64%	0.642	53%	0.527	S	S	*	.	S	Bend	trans	-142.9	115.6	174.7	-86.8	-42.6	0	0	0	108.9	V641	D639-V641 PolarHBondContact O-N 3.44Å
640	D	37.3	Very low	38.9	Very low	175 Å²	175	98.8 Å²	98.8	94%	0.936	53%	0.529	S	S	*	.	S	Bend	trans	-64.8	46.8	178.2	-92.8	-32.8	0	0	0	113.5
641	V	40.2	Very low	38.9	Very low	108 Å²	108	97.2 Å²	97.2	66%	0.655	52%	0.52	S	S	*	.			trans	-136.2	96.7	174.8	-174.4	0	0	0	0	109.5	D639 D643	D639-V641 PolarHBondContact O-N 3.44Å; V641-D643 PolarHBondContact O-N 3.27Å
642	H	36	Very low	38.8	Very low	155 Å²	155	98.2 Å²	98.2	72%	0.718	52%	0.517	S	S	*	.			trans	-69.6	95.6	175.6	-166.8	64.2	0	0	0	110.6	P644	H642-P644 WeakPolarHBondContact O-CD 3.26Å
643	D	39.8	Very low	38.7	Very low	64 Å²	64	102.9 Å²	102.9	34%	0.342	53%	0.534	S	S	.	.			trans	-102.8	103.3	173.1	-134.8	-21.5	0	0	0	110.3	K370 V641 L645 L646	K370-D643 IonicContact NZ-OD1 3.11Å; K370-D643 IonicContact NZ-OD2 3.57Å; K370-D643 PolarHBondContact NZ-OD2 3.06Å; V641-D643 PolarHBondContact O-N 3.27Å; D643-L645 PolarHBondContact O-N 3.01Å; D643-L646 PolarHBondContact O-N 3.19Å
644	P	45	Very low	38.8	Very low	55 Å²	55	105.6 Å²	105.6	36%	0.357	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-14.9	-172.3	-22.2	33	0	0	0	114.8	H642 I648	H642-P644 WeakPolarHBondContact O-CD 3.26Å; P644-I648 VanDerWaalsContact O-CD1 3.26Å; P644-I648 WeakPolarHBondContact O-CD1 3.48Å; P644-I648 VanDerWaalsContact O-CG1 3.25Å; P644-I648 WeakPolarHBondContact O-CG1 3.44Å
645	L	40.4	Very low	38.9	Very low	87 Å²	87	109.3 Å²	109.3	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-76.8	-30.9	179.2	-111	88.4	0	0	0	113.1	D643 I648 N649	D643-L645 PolarHBondContact O-N 3.01Å; L645-I648 PolarHBondContact O-N 3.27Å; L645-N649 PolarHBondContact O-N 2.76Å
646	L	42.3	Very low	38.9	Very low	100 Å²	100	110.1 Å²	110.1	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-69.8	-38.3	-178.1	-168.3	64.6	0	0	0	110.6	D643 I648 N649 F650	D643-L646 PolarHBondContact O-N 3.19Å; L646-I648 PolarHBondContact O-N 3.1Å; L646-N649 PolarHBondContact O-N 3.05Å; L646-F650 HydrophobicContact CD1-CE2 4.21Å; L646-F650 HydrophobicContact CG-CD2 4.24Å; L646-F650 HydrophobicContact CG-CE2 4.06Å; L646-F650 WeakPolarHBondContact O-CD2 3.39Å; L646-F650 PolarHBondContact O-N 3.2Å
647	A	40.8	Very low	38.6	Very low	50 Å²	50	116.1 Å²	116.1	41%	0.413	59%	0.585	S	S	.	*	H	α-helix	trans	-60.5	-30.9	173.9	0	0	0	0	0	113.3	A651	A647-A651 PolarHBondContact O-N 3.23Å
648	I	43.8	Very low	38.3	Very low	76 Å²	76	112.8 Å²	112.8	39%	0.39	58%	0.579	S	S	.	*	H	α-helix	trans	-78.3	-35.8	-178.5	-56.6	164.8	0	0	0	110.7	L604 P644 L645 L646 A651 R652	L604-I648 HydrophobicContact CD1-CD1 4.31Å; P644-I648 VanDerWaalsContact O-CD1 3.26Å; P644-I648 WeakPolarHBondContact O-CD1 3.48Å; P644-I648 VanDerWaalsContact O-CG1 3.25Å; P644-I648 WeakPolarHBondContact O-CG1 3.44Å; L645-I648 PolarHBondContact O-N 3.27Å; L646-I648 PolarHBondContact O-N 3.1Å; I648-A651 PolarHBondContact O-N 3.49Å; I648-R652 PolarHBondContact O-N 3.31Å
649	N	39.4	Very low	37.9	Very low	57 Å²	57	113.4 Å²	113.4	31%	0.305	58%	0.584	S	S	.	*	H	α-helix	trans	-69	-37.6	176.1	-84.5	-26.1	0	0	0	112.4	L645 L646 A651 R652 M653	L645-N649 PolarHBondContact O-N 2.76Å; L646-N649 PolarHBondContact O-N 3.05Å; N649-A651 VanDerWaalsContact C-N 3.33Å; N649-A651 PolarHBondContact O-N 3.22Å; N649-R652 PolarHBondContact O-N 3.18Å; N649-M653 PolarHBondContact O-N 3.31Å
650	F	36.3	Very low	37.6	Very low	120 Å²	120	117.3 Å²	117.3	53%	0.526	60%	0.595	S	S	.	*	H	α-helix	trans	-65.9	-34.7	175.1	-86.8	-72.9	0	0	0	112.9	L646 R652	L646-F650 HydrophobicContact CD1-CE2 4.21Å; L646-F650 HydrophobicContact CG-CD2 4.24Å; L646-F650 HydrophobicContact CG-CE2 4.06Å; L646-F650 WeakPolarHBondContact O-CD2 3.39Å; L646-F650 PolarHBondContact O-N 3.2Å; F650-R652 VanDerWaalsContact C-N 3.34Å
651	A	38.2	Very low	37.3	Very low	37 Å²	37	117.7 Å²	117.7	31%	0.306	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-32.8	176	0	0	0	0	0	112.7	A647 I648 N649 L655	A647-A651 PolarHBondContact O-N 3.23Å; I648-A651 PolarHBondContact O-N 3.49Å; N649-A651 VanDerWaalsContact C-N 3.33Å; N649-A651 PolarHBondContact O-N 3.22Å; A651-L655 WeakPolarHBondContact O-CD1 3.49Å
652	R	36.6	Very low	37	Very low	126 Å²	126	121.3 Å²	121.3	48%	0.475	60%	0.601	S	S	.	*	H	α-helix	trans	-76.5	-30.7	-174.6	-149.7	177.2	-172.7	167.3	3.9	113.8	E455 I648 N649 F650 Y654	E455-R652 VanDerWaalsContact CD-NH1 3.31Å; E455-R652 IonicContact OE1-CZ 2.7Å; E455-R652 IonicContact OE1-NE 2.95Å; E455-R652 PolarHBondContact OE1-NE 3.12Å; E455-R652 IonicContact OE1-NH1 3.46Å; E455-R652 IonicContact OE1-NH2 2.92Å; E455-R652 PolarHBondContact OE1-NH2 2.96Å; E455-R652 IonicContact OE2-CZ 3.27Å; E455-R652 IonicContact OE2-NE 2.62Å; E455-R652 PolarHBondContact OE2-NE 3.23Å; E455-R652 VanDerWaalsContact OE2-NE 3.11Å; E455-R652 IonicContact OE2-NH1 3.01Å; E455-R652 PolarHBondContact OE2-NH1 3.35Å; E455-R652 IonicContact OE2-NH2 2.96Å; E455-R652 PolarHBondContact OE2-NH2 3.46Å; I648-R652 PolarHBondContact O-N 3.31Å; N649-R652 PolarHBondContact O-N 3.18Å; F650-R652 VanDerWaalsContact C-N 3.34Å; R652-Y654 VanDerWaalsContact C-N 3.34Å; R652-Y654 PolarHBondContact O-N 3.14Å
653	M	31.9	Very low	36.6	Very low	137 Å²	137	123.6 Å²	123.6	68%	0.675	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-18.6	-177.5	-86.7	-179.3	42.9	0	0	115.4	N649	N649-M653 PolarHBondContact O-N 3.31Å
654	Y	39.7	Very low	36.2	Very low	175 Å²	175	130.9 Å²	130.9	69%	0.686	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-4.9	-172.4	-79.4	-82.8	0	0	0	114.7	R652	R652-Y654 VanDerWaalsContact C-N 3.34Å; R652-Y654 PolarHBondContact O-N 3.14Å
655	L	41.1	Very low	35.4	Very low	136 Å²	136	133.2 Å²	133.2	71%	0.712	66%	0.662	S	S	*	*	S	Bend	trans	-84.5	-9.3	-179.3	-86.6	158.6	0	0	0	114.3	A651 Q657	A651-L655 WeakPolarHBondContact O-CD1 3.49Å; L655-Q657 PolarHBondContact O-N 3.43Å
656	E	37.1	Very low	34.7	Very low	161 Å²	161	133.2 Å²	133.2	75%	0.752	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	1.3	-172.2	-92.1	-173.3	168.2	0	0	116.7
657	Q	33.7	Very low	33.8	Very low	191 Å²	191	132.2 Å²	132.2	89%	0.893	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	4.3	-173	-70.6	-167	-9	0	0	117.3	L655	L655-Q657 PolarHBondContact O-N 3.43Å
658	S	31.7	Very low	33	Very low	92 Å²	92	137.1 Å²	137.1	64%	0.643	72%	0.716	S	S	*	*	S	Bend	trans	-108.2	-15.6	-166.2	-48.4	0	0	0	0	118.1
659	D	31.2	Very low	32.1	Very low	160 Å²	160	140 Å²	140	86%	0.856	74%	0.736	S	S	*	*			trans	-123	49.1	-161.7	-73.6	-11	0	0	0	115.3
660	F	27.3	Very low	31.6	Very low	202 Å²	202	142.8 Å²	142.8	89%	0.886	76%	0.759	S	S	*	*	S	Bend	trans	-106.5	5.4	176.8	-119.2	-85	0	0	0	116.6
661	H	31	Very low	31.2	Very low	182 Å²	182	143.2 Å²	143.2	84%	0.843	77%	0.771	S	S	*	*	S	Bend	trans	-150.5	86.7	178.1	-105.7	-82.1	0	0	0	112.3
662	E	33.6	Very low	30.5	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	79%	0.792	S	S	*	*	S	Bend	trans	166.4	100.4	138.7	-98.3	-179.3	160.5	0	0	110.5
663	K	28.4	Very low	30.2	Very low	203 Å²	203	154.2 Å²	154.2	88%	0.883	82%	0.815	S	S	*	*			trans	164.9	49.6	143.6	-87.2	159.2	-170.3	174.9	0	111.2
664	F	30.8	Very low	30.1	Very low	217 Å²	217	152.7 Å²	152.7	95%	0.952	82%	0.819	S	S	*	*			trans	-107	82.6	157.5	-82.5	-80.6	0	0	0	108.8
665	A	28	Very low	29.8	Very low	105 Å²	105	150 Å²	150	87%	0.868	83%	0.826	S	S	*	*			trans	-162.1	106	158.8	0	0	0	0	0	110.9
666	G	25.7	Very low	29.2	Very low	86 Å²	86	152.2 Å²	152.2	89%	0.887	83%	0.832	S	S	*	*			trans	127.7	86.1	151.7	0	0	0	0	0	118
667	G	23.8	Very low	28.9	Very low	79 Å²	79	149.1 Å²	149.1	81%	0.814	83%	0.828	S	S	*	*				89.5	79.9	128	0	0	0	0	0	121
668	D	24.5	Very low	28.9	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	83%	0.825	S	S	*	*				63.2	95.1	127.5	-141.8	16.3	0	0	0	121.3
669	V	24.5	Very low	29.2	Very low	135 Å²	135	144 Å²	144	82%	0.818	81%	0.806	S	S	*	*				-147.8	118.1	124.2	175.8	0	0	0	0	108.1	V671	V669-V671 PolarHBondContact O-N 2.85Å
670	C	28	Very low	29.7	Very low	117 Å²	117	139 Å²	139	79%	0.791	78%	0.783	S	S	*	*			trans	-74.4	111.9	176.9	-161.4	0	0	0	0	110.9
671	V	28.2	Very low	30.4	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	77%	0.774	S	S	*	*			trans	-132.6	113.7	153.5	-171.9	0	0	0	0	106.6	V669	V669-V671 PolarHBondContact O-N 2.85Å
672	D	23.2	Very low	31.5	Very low	140 Å²	140	130 Å²	130	75%	0.749	75%	0.747	S	S	*	*			trans	12.9	123.4	175.3	-71.6	-35.4	0	0	0	120.5	S674	D672-S674 PolarHBondContact O-N 2.85Å; D672-S674 VanDerWaalsContact O-N 3.08Å
673	R	31.2	Very low	32.8	Very low	254 Å²	254	121.9 Å²	121.9	96%	0.958	71%	0.709	S	S	*	*	S	Bend	trans	-53.9	100.4	165.3	-74.6	174.6	157.8	173.5	-6.9	112.1
674	S	29.3	Very low	34.4	Very low	106 Å²	106	115.1 Å²	115.1	74%	0.741	68%	0.681	S	S	*	*			trans	-169.1	58.9	154.6	62.6	0	0	0	0	112	D672	D672-S674 PolarHBondContact O-N 2.85Å; D672-S674 VanDerWaalsContact O-N 3.08Å
675	S	33.2	Very low	35.8	Very low	119 Å²	119	108.8 Å²	108.8	83%	0.832	66%	0.656	S	S	*	*			trans	-138.2	53	-180	-48.6	0	0	0	0	111.4
676	E	29.8	Very low	37.7	Very low	182 Å²	182	105.3 Å²	105.3	85%	0.85	62%	0.624	S	S	*	*			trans	-117.9	140.2	159	-71.9	172.5	-179.4	0	0	105.5
677	S	29.3	Very low	39.5	Very low	96 Å²	96	101.2 Å²	101.2	67%	0.671	58%	0.582	S	S	*	*			trans	80.4	83.4	-172.2	81.4	0	0	0	0	117.1	T679	S677-T679 VanDerWaalsContact C-N 3.31Å
678	V	34.7	Very low	41.5	Very low	135 Å²	135	102.9 Å²	102.9	82%	0.818	56%	0.564	S	S	*	*			trans	-97.3	68.7	151.1	-175.1	0	0	0	0	107.4
679	T	37.9	Very low	43.2	Very low	41 Å²	41	97.3 Å²	97.3	25%	0.252	54%	0.537	S	S	.	.	S	Bend	trans	-103.7	119.2	163.2	48.8	0	0	0	0	105	E452 S677	E452-T679 HydrophobicContact CB-CG2 4.5Å; E452-T679 HydrophobicContact CG-CG2 3.99Å; E452-T679 WeakPolarHBondContact OE1-CG2 3.46Å; S677-T679 VanDerWaalsContact C-N 3.31Å
680	C	41	Very low	45.4	Very low	54 Å²	54	90.9 Å²	90.9	37%	0.365	50%	0.498	S	S	.	.			trans	50.1	65.8	173.4	-81.2	0	0	0	0	117.6	D448	D448-C680 VanDerWaalsContact OD1-CB 3.24Å; D448-C680 WeakPolarHBondContact OD1-CB 3.36Å
681	Q	41.6	Very low	47.7	Very low	150 Å²	150	85.4 Å²	85.4	70%	0.701	46%	0.461	S	S	*	.			trans	-109.5	116.7	143.5	-67.4	-178.2	8	0	0	105.3
682	T	55.4	Low	50.4	Low	46 Å²	46	80.3 Å²	80.3	28%	0.282	43%	0.428	S	S	.	.			cis	-165.3	126.8	16.9	-35.9	0	0	0	0	105.1	E684 L685 T686	T682-E684 HydrophobicContact CG2-CB 3.77Å; T682-E684 PolarHBondContact O-N 3.28Å; T682-L685 WeakPolarHBondContact O-CA 3.36Å; T682-L685 WeakPolarHBondContact O-CB 3.3Å; T682-L685 PolarHBondContact O-N 3.32Å; T682-L685 WeakPolarHBondContact OG1-CD1 3.35Å; T682-L685 WeakPolarHBondContact OG1-CG 3.39Å; T682-T686 PolarHBondContact O-N 2.86Å
683	F	61	Low	53.2	Low	12 Å²	12	76.7 Å²	76.7	5%	0.053	41%	0.411	C	S	.	.	H	α-helix	trans	-50.8	-30.9	171.4	165.3	-106.5	0	0	0	112.4	Y441 I444 L445 D448 F462 W465 T686 L687	Y441-F683 HydrophobicContact CD2-CD1 4.36Å; Y441-F683 AromaticContact CD2-CE1 3.5Å; Y441-F683 HydrophobicContact CD2-CE1 3.5Å; Y441-F683 HydrophobicContact CD2-CZ 4.37Å; Y441-F683 HydrophobicContact CE2-CD1 4.11Å; Y441-F683 AromaticContact CE2-CE1 3.59Å; Y441-F683 HydrophobicContact CE2-CE1 3.59Å; I444-F683 HydrophobicContact CB-CD1 4.42Å; I444-F683 HydrophobicContact CB-CE1 4.48Å; I444-F683 HydrophobicContact CD1-CE1 4.34Å; I444-F683 HydrophobicContact CD1-CE2 4.27Å; I444-F683 HydrophobicContact CD1-CZ 4Å; I444-F683 HydrophobicContact CG2-CB 3.89Å; I444-F683 HydrophobicContact CG2-CD1 3.67Å; I444-F683 HydrophobicContact CG2-CD2 3.95Å; I444-F683 HydrophobicContact CG2-CE1 4.1Å; I444-F683 HydrophobicContact CG2-CE2 4.39Å; I444-F683 HydrophobicContact CG2-CG 3.58Å; I444-F683 HydrophobicContact CG2-CZ 4.46Å; L445-F683 HydrophobicContact CD2-CD1 4.17Å; D448-F683 PolarHBondContact OD2-N 3.23Å; F462-F683 AromaticContact CD2-CD2 3.71Å; F462-F683 HydrophobicContact CD2-CD2 3.71Å; F462-F683 AromaticContact CD2-CE2 3.54Å; F462-F683 HydrophobicContact CD2-CE2 3.54Å; F462-F683 AromaticContact CE2-CD2 3.82Å; F462-F683 HydrophobicContact CE2-CD2 3.82Å; F462-F683 AromaticContact CE2-CE2 3.59Å; F462-F683 HydrophobicContact CE2-CE2 3.59Å; W465-F683 HydrophobicContact CD2-CE2 4.34Å; W465-F683 AromaticContact CD2-CZ 3.82Å; W465-F683 HydrophobicContact CD2-CZ 3.82Å; W465-F683 AromaticContact CE2-CZ 3.88Å; W465-F683 HydrophobicContact CE3-CE2 4.03Å; W465-F683 AromaticContact CE3-CZ 3.92Å; W465-F683 HydrophobicContact CE3-CZ 3.92Å; W465-F683 HydrophobicContact CG-CZ 4.41Å; W465-F683 HydrophobicContact CH2-CZ 4.27Å; W465-F683 HydrophobicContact CZ2-CZ 4.11Å; W465-F683 HydrophobicContact CZ3-CE2 4.24Å; W465-F683 HydrophobicContact CZ3-CZ 4.16Å; F683-T686 WeakPolarHBondContact O-CB 3.45Å; F683-T686 PolarHBondContact O-N 2.87Å; F683-L687 HydrophobicContact CD1-CD1 4.44Å; F683-L687 HydrophobicContact CE1-CD1 3.88Å; F683-L687 HydrophobicContact CZ-CD1 3.93Å; F683-L687 HydrophobicContact CZ-CG 4.4Å; F683-L687 PolarHBondContact O-N 2.88Å
684	E	61.1	Low	55.6	Low	62 Å²	62	66.8 Å²	66.8	29%	0.29	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-36.6	171.8	-157.6	-139.2	-158	0	0	113.8	T682 L687 R688	T682-E684 HydrophobicContact CG2-CB 3.77Å; T682-E684 PolarHBondContact O-N 3.28Å; E684-L687 PolarHBondContact O-N 3.4Å; E684-R688 WeakPolarHBondContact O-CB 3.33Å; E684-R688 PolarHBondContact O-N 3.36Å; E684-R688 IonicContact OE1-CZ 3.17Å; E684-R688 IonicContact OE1-NH1 2.98Å; E684-R688 PolarHBondContact OE1-NH1 2.89Å; E684-R688 IonicContact OE2-NH1 3.89Å; E684-R688 PolarHBondContact OE2-NH1 3.48Å
685	L	61.2	Low	58.1	Low	83 Å²	83	61.8 Å²	61.8	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-66.2	-39.9	174.9	-73.9	174.6	0	0	0	110.6	T682 L687 R688 S689	T682-L685 WeakPolarHBondContact O-CA 3.36Å; T682-L685 WeakPolarHBondContact O-CB 3.3Å; T682-L685 PolarHBondContact O-N 3.32Å; T682-L685 WeakPolarHBondContact OG1-CD1 3.35Å; T682-L685 WeakPolarHBondContact OG1-CG 3.39Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.38Å; L685-R688 WeakPolarHBondContact O-CB 3.38Å; L685-R688 PolarHBondContact O-N 2.96Å; L685-S689 VanDerWaalsContact O-CB 3.26Å; L685-S689 WeakPolarHBondContact O-CB 3.25Å; L685-S689 PolarHBondContact O-N 3.28Å; L685-S689 VanDerWaalsContact O-N 3.09Å; L685-S689 PolarHBondContact O-OG 3.25Å
686	T	66.4	Low	60.6	Low	32 Å²	32	58.9 Å²	58.9	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-44.1	174.9	-53.9	0	0	0	0	111.1	V600 T682 F683 S689 C690	V600-T686 HydrophobicContact CG2-CG2 4.04Å; T682-T686 PolarHBondContact O-N 2.86Å; F683-T686 WeakPolarHBondContact O-CB 3.45Å; F683-T686 PolarHBondContact O-N 2.87Å; T686-S689 PolarHBondContact O-N 3.39Å; T686-S689 PolarHBondContact O-OG 3.47Å; T686-C690 VanDerWaalsContact O-CB 3.23Å; T686-C690 WeakPolarHBondContact O-CB 3.26Å; T686-C690 PolarHBondContact O-N 3.45Å
687	L	65.4	Low	63.2	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.307	C	S	.	.	I	π-helix	trans	-65.2	-43	174.4	-66.8	176	0	0	0	112.6	Y441 W465 F551 F596 F683 E684 L685 S689 L691 Y692	Y441-L687 HydrophobicContact CE2-CD1 4.05Å; W465-L687 HydrophobicContact CH2-CD1 4.42Å; W465-L687 HydrophobicContact CH2-CD2 3.42Å; W465-L687 VanDerWaalsContact CH2-CD2 3.42Å; W465-L687 HydrophobicContact CZ2-CD1 4.44Å; W465-L687 HydrophobicContact CZ2-CD2 4.21Å; W465-L687 HydrophobicContact CZ3-CD2 4.01Å; F551-L687 HydrophobicContact CB-CD1 3.97Å; F596-L687 HydrophobicContact CE2-CD2 4.06Å; F596-L687 HydrophobicContact CZ-CD2 4.17Å; F683-L687 HydrophobicContact CD1-CD1 4.44Å; F683-L687 HydrophobicContact CE1-CD1 3.88Å; F683-L687 HydrophobicContact CZ-CD1 3.93Å; F683-L687 HydrophobicContact CZ-CG 4.4Å; F683-L687 PolarHBondContact O-N 2.88Å; E684-L687 PolarHBondContact O-N 3.4Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.38Å; L687-S689 PolarHBondContact O-N 3.27Å; L687-S689 VanDerWaalsContact O-N 3.15Å; L687-L691 HydrophobicContact CD2-CD2 4.4Å; L687-L691 WeakPolarHBondContact O-CB 3.2Å; L687-L691 PolarHBondContact O-N 3.09Å; L687-L691 VanDerWaalsContact O-N 3.08Å; L687-Y692 PolarHBondContact O-N 3.47Å
688	R	64.6	Low	65.8	Low	114 Å²	114	54.1 Å²	54.1	43%	0.43	28%	0.281	S	S	.	.	I	π-helix	trans	-58	-28.4	178.7	-94.1	-167.4	151.3	89.1	10.3	114.3	E684 L685 Y692	E684-R688 WeakPolarHBondContact O-CB 3.33Å; E684-R688 PolarHBondContact O-N 3.36Å; E684-R688 IonicContact OE1-CZ 3.17Å; E684-R688 IonicContact OE1-NH1 2.98Å; E684-R688 PolarHBondContact OE1-NH1 2.89Å; E684-R688 IonicContact OE2-NH1 3.89Å; E684-R688 PolarHBondContact OE2-NH1 3.48Å; L685-R688 WeakPolarHBondContact O-CB 3.38Å; L685-R688 PolarHBondContact O-N 2.96Å; R688-Y692 VanDerWaalsContact CA-CD2 3.43Å; R688-Y692 HydrophobicContact CB-CD2 4.19Å; R688-Y692 HydrophobicContact CB-CE2 4.29Å; R688-Y692 HydrophobicContact CG-CD2 3.8Å; R688-Y692 HydrophobicContact CG-CE2 3.57Å
689	S	61.3	Low	68.2	Low	37 Å²	37	49 Å²	49	26%	0.259	25%	0.247	S	C	.	.	I	π-helix	trans	-116.4	-20.2	-165.3	60.5	0	0	0	0	113.1	R603 L685 T686 L687 P693	R603-S689 VanDerWaalsContact CZ-CB 3.46Å; R603-S689 PolarHBondContact NE-OG 3.05Å; R603-S689 PolarHBondContact NH1-OG 3.07Å; R603-S689 PolarHBondContact NH2-OG 3.32Å; L685-S689 VanDerWaalsContact O-CB 3.26Å; L685-S689 WeakPolarHBondContact O-CB 3.25Å; L685-S689 PolarHBondContact O-N 3.28Å; L685-S689 VanDerWaalsContact O-N 3.09Å; L685-S689 PolarHBondContact O-OG 3.25Å; T686-S689 PolarHBondContact O-N 3.39Å; T686-S689 PolarHBondContact O-OG 3.47Å; L687-S689 PolarHBondContact O-N 3.27Å; L687-S689 VanDerWaalsContact O-N 3.15Å; S689-P693 WeakPolarHBondContact O-CG 3.42Å
690	C	70.3	Confident	70.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-105.4	-37.6	175.7	-62.4	0	0	0	0	113.1	F596 S599 V600 R603 T686 H694	F596-C690 HydrophobicContact CD2-CB 4Å; F596-C690 HydrophobicContact CE2-CB 4.08Å; S599-C690 PolarHBondContact O-SG 2.85Å; S599-C690 VanDerWaalsContact O-SG 3.4Å; S599-C690 WeakPolarHBondContact OG-CA 3.37Å; S599-C690 WeakPolarHBondContact OG-CB 3.34Å; S599-C690 PolarHBondContact OG-SG 2.71Å; V600-C690 HydrophobicContact CG2-CB 3.98Å; R603-C690 PolarHBondContact NE-SG 3.45Å; T686-C690 VanDerWaalsContact O-CB 3.23Å; T686-C690 WeakPolarHBondContact O-CB 3.26Å; T686-C690 PolarHBondContact O-N 3.45Å; C690-H694 PolarHBondContact O-CD2 3.48Å
691	L	76.6	Confident	72.5	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.266	C	S	.	.	I	π-helix	trans	-93.3	-47.8	-176.7	-176.2	62	0	0	0	112.2	L473 F596 L687 H694 I695	L473-L691 HydrophobicContact CD1-CD1 4.38Å; L473-L691 HydrophobicContact CD2-CD1 4.35Å; L473-L691 HydrophobicContact CD2-CD2 4.28Å; F596-L691 HydrophobicContact CB-CD1 4.27Å; F596-L691 HydrophobicContact CD2-CB 3.81Å; F596-L691 HydrophobicContact CD2-CD1 4.26Å; F596-L691 HydrophobicContact CE2-CB 4.15Å; F596-L691 HydrophobicContact CG-CD1 4.42Å; L687-L691 HydrophobicContact CD2-CD2 4.4Å; L687-L691 WeakPolarHBondContact O-CB 3.2Å; L687-L691 PolarHBondContact O-N 3.09Å; L687-L691 VanDerWaalsContact O-N 3.08Å; L691-H694 PolarHBondContact O-N 2.95Å; L691-I695 HydrophobicContact CD1-CD1 4.27Å; L691-I695 HydrophobicContact CG-CD1 3.99Å; L691-I695 PolarHBondContact O-N 3.13Å
692	Y	83.2	Confident	74.6	Confident	21 Å²	21	46.7 Å²	46.7	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-38.1	-171.8	-58.3	-11.4	0	0	0	114.2	F551 P554 V555 L687 R688 H694 I695 D696	F551-Y692 PolarHBondContact O-OH 2.81Å; P554-Y692 HydrophobicContact CB-CE2 3.99Å; P554-Y692 HydrophobicContact CG-CE2 4.1Å; V555-Y692 HydrophobicContact CB-CD1 4.29Å; V555-Y692 HydrophobicContact CG1-CD1 3.36Å; V555-Y692 HydrophobicContact CG1-CD2 3.93Å; V555-Y692 HydrophobicContact CG1-CE1 3.9Å; V555-Y692 HydrophobicContact CG1-CE2 4.44Å; V555-Y692 HydrophobicContact CG1-CG 3.4Å; V555-Y692 VanDerWaalsContact CG1-CG 3.4Å; V555-Y692 HydrophobicContact CG2-CD1 3.93Å; V555-Y692 HydrophobicContact CG2-CE1 3.85Å; L687-Y692 PolarHBondContact O-N 3.47Å; R688-Y692 VanDerWaalsContact CA-CD2 3.43Å; R688-Y692 HydrophobicContact CB-CD2 4.19Å; R688-Y692 HydrophobicContact CB-CE2 4.29Å; R688-Y692 HydrophobicContact CG-CD2 3.8Å; R688-Y692 HydrophobicContact CG-CE2 3.57Å; Y692-H694 VanDerWaalsContact C-N 3.28Å; Y692-H694 PolarHBondContact O-N 3.16Å; Y692-I695 PolarHBondContact O-N 2.96Å; Y692-D696 WeakPolarHBondContact O-CB 3.44Å; Y692-D696 PolarHBondContact O-N 3.22Å
693	P	83.1	Confident	75.9	Confident	63 Å²	63	44.6 Å²	44.6	41%	0.409	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-33.5	177.9	-26.1	37.7	0	0	0	113.4	S689 K697	S689-P693 WeakPolarHBondContact O-CG 3.42Å; P693-K697 VanDerWaalsContact O-CB 3.29Å; P693-K697 WeakPolarHBondContact O-CB 3.44Å; P693-K697 PolarHBondContact O-N 3.34Å
694	H	81	Confident	77.1	Confident	46 Å²	46	45.5 Å²	45.5	21%	0.213	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-41.1	175.9	-65.1	-45.9	0	0	0	111.6	L592 C690 L691 Y692 Q698	L592-H694 HydrophobicContact CD2-CB 4.04Å; C690-H694 PolarHBondContact O-CD2 3.48Å; L691-H694 PolarHBondContact O-N 2.95Å; Y692-H694 VanDerWaalsContact C-N 3.28Å; Y692-H694 PolarHBondContact O-N 3.16Å; H694-Q698 VanDerWaalsContact O-CG 3.31Å; H694-Q698 WeakPolarHBondContact O-CG 3.26Å; H694-Q698 PolarHBondContact O-N 3.31Å; H694-Q698 VanDerWaalsContact O-N 3.12Å
695	I	83.1	Confident	78.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-44.2	174.6	-64.1	172.3	0	0	0	110.6	V555 Q558 I559 L691 Y692 Q698 Y699	V555-I695 HydrophobicContact CB-CD1 4.41Å; V555-I695 HydrophobicContact CB-CG2 4.37Å; V555-I695 HydrophobicContact CG2-CD1 3.99Å; Q558-I695 HydrophobicContact CB-CG2 4.41Å; I559-I695 HydrophobicContact CD1-CD1 4.23Å; I559-I695 HydrophobicContact CG1-CD1 4.46Å; I559-I695 HydrophobicContact CG1-CG2 3.75Å; L691-I695 HydrophobicContact CD1-CD1 4.27Å; L691-I695 HydrophobicContact CG-CD1 3.99Å; L691-I695 PolarHBondContact O-N 3.13Å; Y692-I695 PolarHBondContact O-N 2.96Å; I695-Q698 PolarHBondContact O-N 2.83Å; I695-Y699 WeakPolarHBondContact O-CB 3.49Å; I695-Y699 PolarHBondContact O-N 2.92Å
696	D	84.8	Confident	79.4	Confident	58 Å²	58	41.6 Å²	41.6	31%	0.31	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-38.8	-179.2	-163	35.2	0	0	0	111.8	Q558 Y692 Q698 Y699 L700	Q558-D696 PolarHBondContact NE2-OD1 3.2Å; Y692-D696 WeakPolarHBondContact O-CB 3.44Å; Y692-D696 PolarHBondContact O-N 3.22Å; D696-Q698 PolarHBondContact O-N 3.26Å; D696-Y699 PolarHBondContact O-N 2.86Å; D696-L700 WeakPolarHBondContact O-CB 3.26Å; D696-L700 WeakPolarHBondContact O-CG 3.33Å; D696-L700 PolarHBondContact O-N 3.3Å
697	K	84.4	Confident	80.3	Confident	151 Å²	151	40.6 Å²	40.6	66%	0.657	21%	0.209	S	C	*	.	H	α-helix	trans	-59	-47.7	172.6	-177.5	175.3	-179.9	174.8	0	111.6	P693 L700 D701	P693-K697 VanDerWaalsContact O-CB 3.29Å; P693-K697 WeakPolarHBondContact O-CB 3.44Å; P693-K697 PolarHBondContact O-N 3.34Å; K697-L700 PolarHBondContact O-N 2.88Å; K697-D701 WeakPolarHBondContact O-CB 3.4Å; K697-D701 PolarHBondContact O-N 2.92Å; K697-D701 VanDerWaalsContact O-N 3.09Å
698	Q	82.9	Confident	81.3	Confident	27 Å²	27	45 Å²	45	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-40.5	177.7	-66.8	-63	-33.9	0	0	111.7	I480 H694 I695 D696 D701 C702	I480-Q698 HydrophobicContact CG2-CB 3.81Å; I480-Q698 HydrophobicContact CG2-CG 4.47Å; H694-Q698 VanDerWaalsContact O-CG 3.31Å; H694-Q698 WeakPolarHBondContact O-CG 3.26Å; H694-Q698 PolarHBondContact O-N 3.31Å; H694-Q698 VanDerWaalsContact O-N 3.12Å; I695-Q698 PolarHBondContact O-N 2.83Å; D696-Q698 PolarHBondContact O-N 3.26Å; Q698-D701 PolarHBondContact O-N 3.26Å; Q698-C702 WeakPolarHBondContact O-CB 3.45Å; Q698-C702 PolarHBondContact O-N 2.86Å; Q698-C702 PolarHBondContact O-SG 3.27Å
699	Y	86.2	Confident	82.3	Confident	29 Å²	29	40.3 Å²	40.3	11%	0.114	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-48	175.9	163.4	-102.5	0	0	0	112.2	Q558 M561 A562 I695 D696 D701 C703 D922	Q558-Y699 HydrophobicContact CB-CD1 4.49Å; Q558-Y699 HydrophobicContact CB-CD2 4.18Å; Q558-Y699 HydrophobicContact CB-CG 4.04Å; Q558-Y699 HydrophobicContact CG-CD1 4.26Å; Q558-Y699 HydrophobicContact CG-CG 4.3Å; Q558-Y699 WeakPolarHBondContact O-CD2 3.31Å; M561-Y699 HydrophobicContact CB-CD2 4.1Å; M561-Y699 HydrophobicContact CB-CE2 3.59Å; M561-Y699 HydrophobicContact CG-CE2 4.46Å; A562-Y699 HydrophobicContact CB-CD2 4.24Å; I695-Y699 WeakPolarHBondContact O-CB 3.49Å; I695-Y699 PolarHBondContact O-N 2.92Å; D696-Y699 PolarHBondContact O-N 2.86Å; Y699-D701 PolarHBondContact O-N 3.3Å; Y699-C703 VanDerWaalsContact CD2-SG 3.52Å; Y699-C703 HydrophobicContact CE2-CB 4.4Å; Y699-C703 WeakPolarHBondContact CE2-SG 3.26Å; Y699-C703 VanDerWaalsContact O-CB 3.26Å; Y699-C703 WeakPolarHBondContact O-CB 3.4Å; Y699-C703 PolarHBondContact O-N 2.85Å; Y699-C703 PolarHBondContact O-SG 2.92Å; Y699-D922 WeakPolarHBondContact OH-CB 3.39Å; Y699-D922 PolarHBondContact OH-OD2 3Å
700	L	85.9	Confident	83.5	Confident	82 Å²	82	38.8 Å²	38.8	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-40.9	178.9	-75.5	168.6	0	0	0	112	D696 K697 G704	D696-L700 WeakPolarHBondContact O-CB 3.26Å; D696-L700 WeakPolarHBondContact O-CG 3.33Å; D696-L700 PolarHBondContact O-N 3.3Å; K697-L700 PolarHBondContact O-N 2.88Å; L700-G704 WeakPolarHBondContact O-CA 3.37Å; L700-G704 PolarHBondContact O-N 3.4Å
701	D	84.1	Confident	84.2	Confident	107 Å²	107	41.3 Å²	41.3	57%	0.572	21%	0.213	S	C	*	.	H	α-helix	trans	-69.1	-50.4	179.2	-166.5	20.2	0	0	0	111.5	K697 Q698 Y699 G704 N705	K697-D701 WeakPolarHBondContact O-CB 3.4Å; K697-D701 PolarHBondContact O-N 2.92Å; K697-D701 VanDerWaalsContact O-N 3.09Å; Q698-D701 PolarHBondContact O-N 3.26Å; Y699-D701 PolarHBondContact O-N 3.3Å; D701-G704 PolarHBondContact O-N 2.96Å; D701-N705 VanDerWaalsContact O-CB 3.27Å; D701-N705 WeakPolarHBondContact O-CB 3.26Å; D701-N705 PolarHBondContact O-N 3.49Å
702	C	84	Confident	84.6	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-179.3	-62.4	0	0	0	0	112.4	M566 Q698 L706	M566-C702 HydrophobicContact CE-CB 4.15Å; M566-C702 WeakPolarHBondContact CE-SG 3.47Å; Q698-C702 WeakPolarHBondContact O-CB 3.45Å; Q698-C702 PolarHBondContact O-N 2.86Å; Q698-C702 PolarHBondContact O-SG 3.27Å; C702-L706 PolarHBondContact O-N 2.9Å
703	C	84.1	Confident	84.6	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-71.5	-37.1	179.5	-61.8	0	0	0	0	111.6	S565 Y699 L706 M707	S565-C703 PolarHBondContact OG-SG 2.98Å; S565-C703 VanDerWaalsContact OG-SG 3.39Å; Y699-C703 VanDerWaalsContact CD2-SG 3.52Å; Y699-C703 HydrophobicContact CE2-CB 4.4Å; Y699-C703 WeakPolarHBondContact CE2-SG 3.26Å; Y699-C703 VanDerWaalsContact O-CB 3.26Å; Y699-C703 WeakPolarHBondContact O-CB 3.4Å; Y699-C703 PolarHBondContact O-N 2.85Å; Y699-C703 PolarHBondContact O-SG 2.92Å; C703-L706 PolarHBondContact O-N 3.18Å; C703-M707 WeakPolarHBondContact O-CB 3.41Å; C703-M707 PolarHBondContact O-N 3.44Å
704	G	84.6	Confident	84.6	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-45.1	174.4	0	0	0	0	0	112.2	L700 D701 M707 Q708	L700-G704 WeakPolarHBondContact O-CA 3.37Å; L700-G704 PolarHBondContact O-N 3.4Å; D701-G704 PolarHBondContact O-N 2.96Å; G704-M707 PolarHBondContact O-N 2.92Å; G704-Q708 WeakPolarHBondContact O-CB 3.21Å; G704-Q708 PolarHBondContact O-N 2.94Å
705	N	86	Confident	84.8	Confident	61 Å²	61	54.9 Å²	54.9	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-46.5	177	-165.9	17	0	0	0	111.5	L569 D701 M707 Q708 T709	L569-N705 HydrophobicContact CD2-CB 4.32Å; D701-N705 VanDerWaalsContact O-CB 3.27Å; D701-N705 WeakPolarHBondContact O-CB 3.26Å; D701-N705 PolarHBondContact O-N 3.49Å; N705-M707 VanDerWaalsContact C-N 3.32Å; N705-M707 PolarHBondContact O-N 3.45Å; N705-Q708 PolarHBondContact O-N 2.92Å; N705-Q708 VanDerWaalsContact O-N 3.12Å; N705-T709 PolarHBondContact O-N 3.43Å; N705-T709 PolarHBondContact O-OG1 3.09Å
706	L	86.6	Confident	84.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-45.4	174.4	175.1	65.8	0	0	0	112.1	W508 S565 L568 L569 L572 C702 C703 Q708 T709 L710 L923	W508-L706 HydrophobicContact CH2-CD2 4.24Å; S565-L706 WeakPolarHBondContact OG-CD2 3.46Å; L568-L706 HydrophobicContact CD2-CD1 3.98Å; L568-L706 HydrophobicContact CD2-CD2 4.11Å; L568-L706 HydrophobicContact CG-CD1 4.1Å; L569-L706 HydrophobicContact CB-CD1 4.46Å; L569-L706 HydrophobicContact CD1-CD1 4.44Å; L572-L706 HydrophobicContact CD1-CD1 4.1Å; C702-L706 PolarHBondContact O-N 2.9Å; C703-L706 PolarHBondContact O-N 3.18Å; L706-Q708 VanDerWaalsContact C-N 3.3Å; L706-Q708 PolarHBondContact O-N 2.89Å; L706-T709 PolarHBondContact O-N 3.32Å; L706-L710 WeakPolarHBondContact O-CB 3.38Å; L706-L710 PolarHBondContact O-N 3.32Å; L706-L923 HydrophobicContact CD2-CD2 4.21Å
707	M	85.1	Confident	85	Confident	10 Å²	10	55 Å²	55	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-39.4	178.6	-173.1	59.4	66	0	0	111.3	C703 G704 N705 L710 K711 D922 L926	C703-M707 WeakPolarHBondContact O-CB 3.41Å; C703-M707 PolarHBondContact O-N 3.44Å; G704-M707 PolarHBondContact O-N 2.92Å; N705-M707 VanDerWaalsContact C-N 3.32Å; N705-M707 PolarHBondContact O-N 3.45Å; M707-L710 PolarHBondContact O-N 3.36Å; M707-K711 HydrophobicContact CG-CD 4.05Å; M707-K711 WeakPolarHBondContact O-CB 3.39Å; M707-K711 VanDerWaalsContact O-CG 3.28Å; M707-K711 WeakPolarHBondContact O-CG 3.26Å; M707-K711 PolarHBondContact O-N 3.28Å; M707-K711 HydrophobicContact SD-CD 4.28Å; M707-K711 HydrophobicContact SD-CG 4.35Å; M707-D922 VanDerWaalsContact CE-C 3.5Å; M707-D922 WeakPolarHBondContact CE-O 3.05Å; M707-L926 HydrophobicContact CE-CB 4.05Å; M707-L926 HydrophobicContact CE-CD2 4.02Å; M707-L926 HydrophobicContact SD-CD2 4.13Å
708	Q	85.1	Confident	85.1	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-45.2	177.3	-169.1	176.1	34.5	0	0	111.8	G704 N705 L706 K711 K712	G704-Q708 WeakPolarHBondContact O-CB 3.21Å; G704-Q708 PolarHBondContact O-N 2.94Å; N705-Q708 PolarHBondContact O-N 2.92Å; N705-Q708 VanDerWaalsContact O-N 3.12Å; L706-Q708 VanDerWaalsContact C-N 3.3Å; L706-Q708 PolarHBondContact O-N 2.89Å; Q708-K711 PolarHBondContact O-N 3.04Å; Q708-K712 HydrophobicContact CG-CD 3.86Å; Q708-K712 HydrophobicContact CG-CG 4.34Å; Q708-K712 WeakPolarHBondContact O-CB 3.41Å; Q708-K712 WeakPolarHBondContact O-CG 3.32Å; Q708-K712 PolarHBondContact O-N 2.83Å
709	T	86.9	Confident	85.4	Confident	15 Å²	15	53.6 Å²	53.6	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-45.5	173.1	-65.3	0	0	0	0	111.1	L569 N705 L706 K711 D713 Y714	L569-T709 HydrophobicContact CD1-CG2 4.19Å; N705-T709 PolarHBondContact O-N 3.43Å; N705-T709 PolarHBondContact O-OG1 3.09Å; L706-T709 PolarHBondContact O-N 3.32Å; T709-K711 PolarHBondContact O-N 3.14Å; T709-D713 WeakPolarHBondContact CA-OD2 3.46Å; T709-D713 HydrophobicContact CG2-CB 4.49Å; T709-D713 WeakPolarHBondContact CG2-OD2 3.22Å; T709-D713 WeakPolarHBondContact O-CB 3.48Å; T709-D713 PolarHBondContact O-N 3.49Å; T709-Y714 HydrophobicContact CG2-CD2 4.36Å; T709-Y714 HydrophobicContact CG2-CE2 4.23Å; T709-Y714 PolarHBondContact O-N 3.1Å
710	L	85.9	Confident	85.4	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-34.7	-179.5	-165	67.4	0	0	0	112.5	L706 M707 Y714 R715 L716 P808 V809 V812 L923	L706-L710 WeakPolarHBondContact O-CB 3.38Å; L706-L710 PolarHBondContact O-N 3.32Å; M707-L710 PolarHBondContact O-N 3.36Å; L710-Y714 HydrophobicContact CD1-CD2 4.47Å; L710-Y714 HydrophobicContact CD1-CG 4.39Å; L710-Y714 CarbonylContact O-C 3.54Å; L710-R715 PolarHBondContact O-N 3.27Å; L710-L716 HydrophobicContact CD2-CD2 3.54Å; L710-L716 HydrophobicContact CD2-CG 4.49Å; L710-L716 HydrophobicContact CG-CB 4.13Å; L710-L716 HydrophobicContact CG-CD2 3.86Å; L710-L716 HydrophobicContact CG-CG 4.47Å; L710-L716 WeakPolarHBondContact O-CB 3.27Å; L710-L716 PolarHBondContact O-N 3.43Å; L710-L716 VanDerWaalsContact O-N 3.17Å; L710-P808 HydrophobicContact CD1-CB 4.48Å; L710-P808 HydrophobicContact CD1-CG 3.68Å; L710-V809 HydrophobicContact CD1-CG2 4.34Å; L710-V812 HydrophobicContact CD2-CG2 4.5Å; L710-L923 HydrophobicContact CD2-CD1 3.95Å
711	K	84.9	Confident	85.5	Confident	53 Å²	53	51.2 Å²	51.2	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-74.6	-43.7	176.5	-75.6	176.6	174.6	176.7	0	112.6	M707 Q708 T709 R715 V717 V917 E918	M707-K711 HydrophobicContact CG-CD 4.05Å; M707-K711 WeakPolarHBondContact O-CB 3.39Å; M707-K711 VanDerWaalsContact O-CG 3.28Å; M707-K711 WeakPolarHBondContact O-CG 3.26Å; M707-K711 PolarHBondContact O-N 3.28Å; M707-K711 HydrophobicContact SD-CD 4.28Å; M707-K711 HydrophobicContact SD-CG 4.35Å; Q708-K711 PolarHBondContact O-N 3.04Å; T709-K711 PolarHBondContact O-N 3.14Å; K711-R715 WeakPolarHBondContact O-CA 3.37Å; K711-V717 HydrophobicContact CG-CG2 4.32Å; K711-V917 WeakPolarHBondContact CE-O 3.37Å; K711-V917 PolarHBondContact NZ-O 3.44Å; K711-E918 PolarHBondContact NZ-O 3.44Å
712	K	84.8	Confident	85.6	Confident	134 Å²	134	46.3 Å²	46.3	58%	0.583	23%	0.225	S	C	*	.	H	α-helix	trans	-83.8	-54.3	-175.4	-70.1	-176.3	174.9	177.1	0	112.8	Q708	Q708-K712 HydrophobicContact CG-CD 3.86Å; Q708-K712 HydrophobicContact CG-CG 4.34Å; Q708-K712 WeakPolarHBondContact O-CB 3.41Å; Q708-K712 WeakPolarHBondContact O-CG 3.32Å; Q708-K712 PolarHBondContact O-N 2.83Å
713	D	83.9	Confident	85.7	Confident	90 Å²	90	46.1 Å²	46.1	48%	0.481	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-41.7	-167.2	-50.7	-31.3	0	0	0	110.5	T709	T709-D713 WeakPolarHBondContact CA-OD2 3.46Å; T709-D713 HydrophobicContact CG2-CB 4.49Å; T709-D713 WeakPolarHBondContact CG2-OD2 3.22Å; T709-D713 WeakPolarHBondContact O-CB 3.48Å; T709-D713 PolarHBondContact O-N 3.49Å
714	Y	81.9	Confident	85.9	Confident	53 Å²	53	46.3 Å²	46.3	21%	0.208	22%	0.224	C	C	.	.	S	Bend	trans	-96.5	3.9	178.9	-66.6	-84.8	0	0	0	114.4	L572 T709 L710 L716 Y719 P808	L572-Y714 HydrophobicContact CB-CE2 4.36Å; L572-Y714 HydrophobicContact CD1-CE2 4.23Å; L572-Y714 HydrophobicContact CD2-CE1 4.33Å; L572-Y714 HydrophobicContact CD2-CE2 3.88Å; L572-Y714 VanDerWaalsContact CD2-OH 3.29Å; L572-Y714 WeakPolarHBondContact CD2-OH 3.46Å; L572-Y714 HydrophobicContact CG-CE2 4.39Å; T709-Y714 HydrophobicContact CG2-CD2 4.36Å; T709-Y714 HydrophobicContact CG2-CE2 4.23Å; T709-Y714 PolarHBondContact O-N 3.1Å; L710-Y714 HydrophobicContact CD1-CD2 4.47Å; L710-Y714 HydrophobicContact CD1-CG 4.39Å; L710-Y714 CarbonylContact O-C 3.54Å; Y714-L716 PolarHBondContact O-N 2.84Å; Y714-L716 VanDerWaalsContact O-N 3.08Å; Y714-Y719 WeakPolarHBondContact O-CD2 3.39Å; Y714-Y719 VanDerWaalsContact O-CE2 3.29Å; Y714-Y719 WeakPolarHBondContact O-CE2 3.29Å; Y714-P808 HydrophobicContact CD1-CG 3.95Å; Y714-P808 HydrophobicContact CD2-CG 4.24Å; Y714-P808 HydrophobicContact CE1-CG 4.07Å; Y714-P808 HydrophobicContact CE2-CG 4.38Å; Y714-P808 HydrophobicContact CG-CG 4.03Å
715	R	84.8	Confident	85.9	Confident	140 Å²	140	46 Å²	46	53%	0.528	22%	0.215	S	C	.	.			trans	46.6	41	173.8	-51.2	-168	-169.5	175.8	-0.6	114.8	L710 K711 V717 E718 Y719	L710-R715 PolarHBondContact O-N 3.27Å; K711-R715 WeakPolarHBondContact O-CA 3.37Å; R715-V717 PolarHBondContact O-N 3.21Å; R715-E718 HydrophobicContact CB-CB 4.2Å; R715-E718 HydrophobicContact CB-CG 4.1Å; R715-E718 VanDerWaalsContact CD-CD 3.44Å; R715-E718 WeakPolarHBondContact CD-OE1 3.38Å; R715-E718 WeakPolarHBondContact CD-OE2 3.24Å; R715-E718 IonicContact NH1-OE2 3.34Å; R715-E718 PolarHBondContact NH1-OE2 3.38Å; R715-E718 WeakPolarHBondContact O-CB 3.39Å; R715-E718 PolarHBondContact O-N 2.68Å; R715-Y719 WeakPolarHBondContact O-CD2 3.3Å; R715-Y719 PolarHBondContact O-N 3.37Å
716	L	86.5	Confident	85.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-50.2	-37.1	-176.6	176.1	65	0	0	0	114.3	L710 Y714 E718 Y719 L720 V809 V812 L926	L710-L716 HydrophobicContact CD2-CD2 3.54Å; L710-L716 HydrophobicContact CD2-CG 4.49Å; L710-L716 HydrophobicContact CG-CB 4.13Å; L710-L716 HydrophobicContact CG-CD2 3.86Å; L710-L716 HydrophobicContact CG-CG 4.47Å; L710-L716 WeakPolarHBondContact O-CB 3.27Å; L710-L716 PolarHBondContact O-N 3.43Å; L710-L716 VanDerWaalsContact O-N 3.17Å; Y714-L716 PolarHBondContact O-N 2.84Å; Y714-L716 VanDerWaalsContact O-N 3.08Å; L716-E718 VanDerWaalsContact C-N 3.32Å; L716-E718 PolarHBondContact O-N 3.4Å; L716-Y719 PolarHBondContact O-N 3.05Å; L716-L720 HydrophobicContact CD1-CD1 4.36Å; L716-L720 HydrophobicContact CD1-CG 4.45Å; L716-L720 HydrophobicContact CG-CD1 4.08Å; L716-L720 PolarHBondContact O-N 3.35Å; L716-V809 HydrophobicContact CD1-CB 4.41Å; L716-V809 HydrophobicContact CD1-CG1 3.53Å; L716-V809 HydrophobicContact CD1-CG2 4.31Å; L716-V812 HydrophobicContact CD1-CB 4.41Å; L716-V812 HydrophobicContact CD1-CG2 4.41Å; L716-L926 HydrophobicContact CD2-CD2 3.39Å
717	V	87.1	Confident	85.8	Confident	61 Å²	61	43 Å²	43	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-37	-179.9	-176.8	0	0	0	0	111.1	K711 R715 L720 Q721	K711-V717 HydrophobicContact CG-CG2 4.32Å; R715-V717 PolarHBondContact O-N 3.21Å; V717-L720 PolarHBondContact O-N 2.97Å; V717-Q721 WeakPolarHBondContact O-CB 3.39Å; V717-Q721 PolarHBondContact O-N 3.38Å
718	E	86.8	Confident	85.9	Confident	115 Å²	115	42.8 Å²	42.8	54%	0.537	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-43	175	-62.6	-178.1	-176.8	0	0	110.5	R715 L716 Q721 A722	R715-E718 HydrophobicContact CB-CB 4.2Å; R715-E718 HydrophobicContact CB-CG 4.1Å; R715-E718 VanDerWaalsContact CD-CD 3.44Å; R715-E718 WeakPolarHBondContact CD-OE1 3.38Å; R715-E718 WeakPolarHBondContact CD-OE2 3.24Å; R715-E718 IonicContact NH1-OE2 3.34Å; R715-E718 PolarHBondContact NH1-OE2 3.38Å; R715-E718 WeakPolarHBondContact O-CB 3.39Å; R715-E718 PolarHBondContact O-N 2.68Å; L716-E718 VanDerWaalsContact C-N 3.32Å; L716-E718 PolarHBondContact O-N 3.4Å; E718-Q721 CarbonylContact O-C 3.48Å; E718-Q721 PolarHBondContact O-N 2.87Å; E718-A722 WeakPolarHBondContact O-CB 3.5Å; E718-A722 PolarHBondContact O-N 3.22Å
719	Y	87.2	Confident	85.7	Confident	34 Å²	34	38.7 Å²	38.7	13%	0.133	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-43.1	176.2	-74.3	-77.8	0	0	0	112.8	Y714 R715 L716 Q721 A722 M723 R776 Y803 P806 V809	Y714-Y719 WeakPolarHBondContact O-CD2 3.39Å; Y714-Y719 VanDerWaalsContact O-CE2 3.29Å; Y714-Y719 WeakPolarHBondContact O-CE2 3.29Å; R715-Y719 WeakPolarHBondContact O-CD2 3.3Å; R715-Y719 PolarHBondContact O-N 3.37Å; L716-Y719 PolarHBondContact O-N 3.05Å; Y719-Q721 VanDerWaalsContact C-N 3.31Å; Y719-Q721 PolarHBondContact O-N 3.41Å; Y719-A722 PolarHBondContact O-N 2.82Å; Y719-M723 WeakPolarHBondContact O-CG 3.38Å; Y719-M723 PolarHBondContact O-N 3.37Å; Y719-R776 PolarHBondContact OH-NH1 3.36Å; Y719-Y803 AromaticContact CD1-CE1 3.81Å; Y719-Y803 HydrophobicContact CD1-CE1 3.81Å; Y719-Y803 AromaticContact CD1-CZ 3.94Å; Y719-Y803 WeakPolarHBondContact CD1-OH 3.3Å; Y719-Y803 HydrophobicContact CE1-CE1 4.43Å; Y719-Y803 WeakPolarHBondContact CE1-OH 3.45Å; Y719-P806 HydrophobicContact CE1-CG 4.27Å; Y719-V809 HydrophobicContact CD2-CG1 4.42Å; Y719-V809 HydrophobicContact CD2-CG2 4.26Å; Y719-V809 HydrophobicContact CG-CG1 4.24Å
720	L	87.3	Confident	85.2	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-37.5	175.1	-74.9	167.4	0	0	0	111.6	L716 V717 R724 I813 F913 V917	L716-L720 HydrophobicContact CD1-CD1 4.36Å; L716-L720 HydrophobicContact CD1-CG 4.45Å; L716-L720 HydrophobicContact CG-CD1 4.08Å; L716-L720 PolarHBondContact O-N 3.35Å; V717-L720 PolarHBondContact O-N 2.97Å; L720-R724 PolarHBondContact O-N 3.32Å; L720-I813 HydrophobicContact CD2-CD1 4.46Å; L720-I813 HydrophobicContact CD2-CG1 4.43Å; L720-F913 HydrophobicContact CD1-CZ 4.33Å; L720-F913 HydrophobicContact CD2-CE1 4.38Å; L720-F913 HydrophobicContact CD2-CZ 4.13Å; L720-V917 HydrophobicContact CD1-CG1 4.21Å
721	Q	87.3	Confident	84.5	Confident	53 Å²	53	42.1 Å²	42.1	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-70.3	-39	175.6	-170.9	57.9	38.5	0	0	112	V717 E718 Y719 M723 R724 N725	V717-Q721 WeakPolarHBondContact O-CB 3.39Å; V717-Q721 PolarHBondContact O-N 3.38Å; E718-Q721 CarbonylContact O-C 3.48Å; E718-Q721 PolarHBondContact O-N 2.87Å; Y719-Q721 VanDerWaalsContact C-N 3.31Å; Y719-Q721 PolarHBondContact O-N 3.41Å; Q721-M723 VanDerWaalsContact C-N 3.34Å; Q721-M723 PolarHBondContact O-N 2.98Å; Q721-R724 WeakPolarHBondContact O-CB 3.45Å; Q721-R724 PolarHBondContact O-N 3Å; Q721-N725 PolarHBondContact NE2-OD1 3.48Å; Q721-N725 WeakPolarHBondContact O-CB 3.42Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.43Å; Q721-N725 PolarHBondContact O-OD1 2.83Å
722	A	86.1	Confident	83.9	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-45	173.5	0	0	0	0	0	111	E718 Y719 R724 N725 F726	E718-A722 WeakPolarHBondContact O-CB 3.5Å; E718-A722 PolarHBondContact O-N 3.22Å; Y719-A722 PolarHBondContact O-N 2.82Å; A722-R724 VanDerWaalsContact C-N 3.28Å; A722-R724 PolarHBondContact O-N 3.36Å; A722-N725 PolarHBondContact O-N 3.42Å; A722-N725 VanDerWaalsContact O-N 3.16Å; A722-F726 HydrophobicContact CB-CD2 4.21Å; A722-F726 HydrophobicContact CB-CE2 3.95Å; A722-F726 WeakPolarHBondContact O-CD2 3.06Å; A722-F726 PolarHBondContact O-N 3.46Å
723	M	86.8	Confident	83.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-41.8	174.6	-70.3	-62.8	-70.1	0	0	111.9	Y719 Q721 F727 Y803 I813 Y821	Y719-M723 WeakPolarHBondContact O-CG 3.38Å; Y719-M723 PolarHBondContact O-N 3.37Å; Q721-M723 VanDerWaalsContact C-N 3.34Å; Q721-M723 PolarHBondContact O-N 2.98Å; M723-F727 HydrophobicContact CE-CD2 3.63Å; M723-F727 HydrophobicContact CE-CE2 3.38Å; M723-F727 HydrophobicContact CE-CG 4.34Å; M723-F727 HydrophobicContact CE-CZ 3.89Å; M723-F727 VanDerWaalsContact O-CB 3.28Å; M723-F727 WeakPolarHBondContact O-CB 3.42Å; M723-F727 WeakPolarHBondContact O-CD2 3.33Å; M723-F727 PolarHBondContact O-N 2.73Å; M723-F727 HydrophobicContact SD-CD2 3.8Å; M723-F727 HydrophobicContact SD-CE2 3.42Å; M723-F727 WeakPolarHBondContact SD-CE2 3.4Å; M723-F727 HydrophobicContact SD-CZ 4.33Å; M723-Y803 HydrophobicContact CG-CD1 4.38Å; M723-Y803 HydrophobicContact SD-CD1 3.43Å; M723-Y803 WeakPolarHBondContact SD-CD1 3.47Å; M723-Y803 HydrophobicContact SD-CE1 4.17Å; M723-Y803 HydrophobicContact SD-CG 3.86Å; M723-I813 HydrophobicContact CE-CG2 4.13Å; M723-I813 HydrophobicContact CG-CD1 4.02Å; M723-I813 HydrophobicContact SD-CG2 4.46Å; M723-Y821 HydrophobicContact CE-CD2 3.54Å; M723-Y821 HydrophobicContact CE-CE2 3.86Å; M723-Y821 HydrophobicContact CE-CG 4.15Å
724	R	87.8	Confident	83.5	Confident	8 Å²	8	35.1 Å²	35.1	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-47.4	173.9	-71.4	174.9	53.2	-163.5	0.5	112.2	L720 Q721 A722 F726 L728 E730	L720-R724 PolarHBondContact O-N 3.32Å; Q721-R724 WeakPolarHBondContact O-CB 3.45Å; Q721-R724 PolarHBondContact O-N 3Å; A722-R724 VanDerWaalsContact C-N 3.28Å; A722-R724 PolarHBondContact O-N 3.36Å; R724-F726 VanDerWaalsContact C-N 3.33Å; R724-F726 PolarHBondContact O-N 2.9Å; R724-L728 HydrophobicContact CG-CD2 4.43Å; R724-L728 WeakPolarHBondContact O-CA 3.3Å; R724-L728 VanDerWaalsContact O-CB 3.23Å; R724-L728 WeakPolarHBondContact O-CB 3.49Å; R724-L728 PolarHBondContact O-N 3.03Å; R724-E730 IonicContact CZ-OE2 2.65Å; R724-E730 VanDerWaalsContact CZ-OE2 3.27Å; R724-E730 IonicContact NE-OE2 3.79Å; R724-E730 PolarHBondContact NE-OE2 3.41Å; R724-E730 VanDerWaalsContact NE-OE2 3.16Å; R724-E730 VanDerWaalsContact NH2-CD 3.3Å; R724-E730 IonicContact NH2-OE1 3.53Å; R724-E730 PolarHBondContact NH2-OE1 3.01Å; R724-E730 IonicContact NH2-OE2 3.52Å; R724-E730 PolarHBondContact NH2-OE2 3.1Å
725	N	86	Confident	83.6	Confident	23 Å²	23	32.7 Å²	32.7	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-44.5	-177.5	-72.5	-7.7	0	0	0	112.1	Q721 A722 M729 E730 G731	Q721-N725 PolarHBondContact NE2-OD1 3.48Å; Q721-N725 WeakPolarHBondContact O-CB 3.42Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.43Å; Q721-N725 PolarHBondContact O-OD1 2.83Å; A722-N725 PolarHBondContact O-N 3.42Å; A722-N725 VanDerWaalsContact O-N 3.16Å; N725-M729 CarbonylContact O-C 3.5Å; N725-M729 WeakPolarHBondContact O-CA 3.48Å; N725-E730 PolarHBondContact O-N 3.27Å; N725-G731 PolarHBondContact O-N 2.87Å
726	F	85.4	Confident	83.7	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-89	-48.8	-175.4	-55.8	-57.2	0	0	0	113.5	A722 R724 M735 V766 Y770 D773 L777 L801	A722-F726 HydrophobicContact CB-CD2 4.21Å; A722-F726 HydrophobicContact CB-CE2 3.95Å; A722-F726 WeakPolarHBondContact O-CD2 3.06Å; A722-F726 PolarHBondContact O-N 3.46Å; R724-F726 VanDerWaalsContact C-N 3.33Å; R724-F726 PolarHBondContact O-N 2.9Å; F726-M735 HydrophobicContact CD1-SD 4.34Å; F726-V766 HydrophobicContact CD1-CG2 4.45Å; F726-V766 HydrophobicContact CE1-CG1 3.94Å; F726-V766 HydrophobicContact CE1-CG2 4.02Å; F726-V766 HydrophobicContact CZ-CG1 3.92Å; F726-Y770 HydrophobicContact CE1-CD2 4.5Å; F726-Y770 HydrophobicContact CZ-CD2 4.19Å; F726-Y770 HydrophobicContact CZ-CG 4.48Å; F726-D773 HydrophobicContact CE2-CB 3.8Å; F726-D773 HydrophobicContact CZ-CB 3.96Å; F726-L777 HydrophobicContact CB-CD2 4.36Å; F726-L777 HydrophobicContact CD1-CD1 4.09Å; F726-L777 HydrophobicContact CD2-CD1 3.89Å; F726-L777 HydrophobicContact CD2-CD2 4.19Å; F726-L777 HydrophobicContact CE1-CD1 4.13Å; F726-L777 HydrophobicContact CE2-CD1 3.94Å; F726-L777 HydrophobicContact CG-CD1 3.98Å; F726-L777 HydrophobicContact CG-CD2 4.33Å; F726-L777 HydrophobicContact CZ-CD1 4.06Å; F726-L801 HydrophobicContact CB-CD2 4.25Å
727	F	85.3	Confident	83.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-78.9	-33.5	-176.9	-69.9	-99.4	0	0	0	113.1	M723 L801 Q818 Y821 N822 F825	M723-F727 HydrophobicContact CE-CD2 3.63Å; M723-F727 HydrophobicContact CE-CE2 3.38Å; M723-F727 HydrophobicContact CE-CG 4.34Å; M723-F727 HydrophobicContact CE-CZ 3.89Å; M723-F727 VanDerWaalsContact O-CB 3.28Å; M723-F727 WeakPolarHBondContact O-CB 3.42Å; M723-F727 WeakPolarHBondContact O-CD2 3.33Å; M723-F727 PolarHBondContact O-N 2.73Å; M723-F727 HydrophobicContact SD-CD2 3.8Å; M723-F727 HydrophobicContact SD-CE2 3.42Å; M723-F727 WeakPolarHBondContact SD-CE2 3.4Å; M723-F727 HydrophobicContact SD-CZ 4.33Å; F727-L801 HydrophobicContact CD1-CB 4.41Å; F727-L801 HydrophobicContact CD1-CD2 4.15Å; F727-L801 HydrophobicContact CD2-CD2 4.18Å; F727-L801 HydrophobicContact CE1-CB 3.88Å; F727-L801 HydrophobicContact CE1-CD2 4.1Å; F727-L801 HydrophobicContact CE1-CG 4.06Å; F727-L801 VanDerWaalsContact CE1-O 3.28Å; F727-L801 WeakPolarHBondContact CE1-O 3.42Å; F727-L801 HydrophobicContact CE2-CD2 4.09Å; F727-L801 HydrophobicContact CE2-CG 4.37Å; F727-L801 HydrophobicContact CG-CD2 4.22Å; F727-L801 HydrophobicContact CZ-CB 4.22Å; F727-L801 HydrophobicContact CZ-CD2 4.06Å; F727-L801 HydrophobicContact CZ-CG 3.94Å; F727-L801 WeakPolarHBondContact CZ-O 3.19Å; F727-Q818 HydrophobicContact CE1-CG 4.27Å; F727-Q818 HydrophobicContact CZ-CG 4.1Å; F727-Y821 HydrophobicContact CB-CD1 4.12Å; F727-Y821 HydrophobicContact CB-CG 4.33Å; F727-Y821 HydrophobicContact CG-CG 4.4Å; F727-N822 WeakPolarHBondContact CE1-OD1 3.37Å; F727-F825 HydrophobicContact CD1-CB 4.49Å; F727-F825 WeakPolarHBondContact O-CB 3.06Å
728	L	85.5	Confident	83.6	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.164	C	C	.	.	S	Bend	trans	-93.7	0.9	178	-75.6	63.5	0	0	0	112.5	R724 E730 Y821 L906 Y933 I937	R724-L728 HydrophobicContact CG-CD2 4.43Å; R724-L728 WeakPolarHBondContact O-CA 3.3Å; R724-L728 VanDerWaalsContact O-CB 3.23Å; R724-L728 WeakPolarHBondContact O-CB 3.49Å; R724-L728 PolarHBondContact O-N 3.03Å; L728-E730 VanDerWaalsContact C-N 3.26Å; L728-E730 PolarHBondContact O-N 2.97Å; L728-Y821 HydrophobicContact CD1-CD1 3.5Å; L728-Y821 VanDerWaalsContact CD1-CD1 3.5Å; L728-Y821 HydrophobicContact CD1-CE1 3.53Å; L728-L906 HydrophobicContact CB-CD1 4.33Å; L728-L906 HydrophobicContact CD2-CB 4.38Å; L728-L906 HydrophobicContact CD2-CD2 3.86Å; L728-L906 HydrophobicContact CG-CD1 4.49Å; L728-L906 HydrophobicContact CG-CD2 4.09Å; L728-Y933 VanDerWaalsContact CD2-OH 3.29Å; L728-Y933 WeakPolarHBondContact CD2-OH 3.37Å; L728-I937 HydrophobicContact CD2-CD1 3.85Å
729	M	81.6	Confident	83.5	Confident	9 Å²	9	27.2 Å²	27.2	4%	0.044	14%	0.141	C	C	.	.			trans	60.9	30.1	178.8	-49.1	-76.7	-83.9	0	0	113.8	N725 G731 M735 Y739 F825 L828 L829 M902	N725-M729 CarbonylContact O-C 3.5Å; N725-M729 WeakPolarHBondContact O-CA 3.48Å; M729-G731 VanDerWaalsContact C-N 3.32Å; M729-M735 HydrophobicContact CE-CB 3.66Å; M729-M735 HydrophobicContact CE-CE 4.12Å; M729-M735 HydrophobicContact CE-CG 4.32Å; M729-M735 HydrophobicContact SD-CB 3.74Å; M729-M735 HydrophobicContact SD-CE 3.36Å; M729-M735 WeakPolarHBondContact SD-CE 3.36Å; M729-M735 HydrophobicContact SD-CG 3.72Å; M729-M735 HydrophobicContact SD-SD 4.37Å; M729-Y739 HydrophobicContact CE-CD1 3.5Å; M729-Y739 VanDerWaalsContact CE-CD1 3.5Å; M729-Y739 HydrophobicContact CE-CE1 3.85Å; M729-F825 HydrophobicContact CG-CD2 4.49Å; M729-F825 HydrophobicContact SD-CD2 4.03Å; M729-F825 HydrophobicContact SD-CE2 3.67Å; M729-L828 HydrophobicContact CG-CB 4.38Å; M729-L828 HydrophobicContact CG-CD1 4.34Å; M729-L829 HydrophobicContact CE-CD1 4.49Å; M729-M902 HydrophobicContact CB-CE 3.86Å
730	E	77.4	Confident	83.4	Confident	79 Å²	79	26.3 Å²	26.3	37%	0.369	14%	0.139	S	C	.	.			trans	-72.8	-27.3	174.9	-172.6	169.5	-164.3	0	0	111.5	R724 N725 L728 G732	R724-E730 IonicContact CZ-OE2 2.65Å; R724-E730 VanDerWaalsContact CZ-OE2 3.27Å; R724-E730 IonicContact NE-OE2 3.79Å; R724-E730 PolarHBondContact NE-OE2 3.41Å; R724-E730 VanDerWaalsContact NE-OE2 3.16Å; R724-E730 VanDerWaalsContact NH2-CD 3.3Å; R724-E730 IonicContact NH2-OE1 3.53Å; R724-E730 PolarHBondContact NH2-OE1 3.01Å; R724-E730 IonicContact NH2-OE2 3.52Å; R724-E730 PolarHBondContact NH2-OE2 3.1Å; N725-E730 PolarHBondContact O-N 3.27Å; L728-E730 VanDerWaalsContact C-N 3.26Å; L728-E730 PolarHBondContact O-N 2.97Å; E730-G732 PolarHBondContact O-N 3.22Å
731	G	69.5	Low	83.2	Confident	13 Å²	13	27.8 Å²	27.8	13%	0.134	15%	0.15	C	C	.	.	S	Bend	trans	-75.1	62.1	167.2	0	0	0	0	0	111.6	N725 M729 D733 T734 M735	N725-G731 PolarHBondContact O-N 2.87Å; M729-G731 VanDerWaalsContact C-N 3.32Å; G731-D733 VanDerWaalsContact C-N 3.3Å; G731-D733 PolarHBondContact O-N 3.41Å; G731-D733 VanDerWaalsContact O-N 3.17Å; G731-T734 PolarHBondContact O-N 2.74Å; G731-T734 PolarHBondContact O-OG1 3.32Å; G731-M735 PolarHBondContact O-N 3.16Å; G731-M735 VanDerWaalsContact O-N 3.13Å
732	G	73	Confident	83.1	Confident	36 Å²	36	25.4 Å²	25.4	37%	0.371	14%	0.139	S	C	.	.	H	α-helix	trans	-52.9	-40.6	-165.2	0	0	0	0	0	114.8	E730 Y736	E730-G732 PolarHBondContact O-N 3.22Å; G732-Y736 WeakPolarHBondContact O-CB 3.24Å; G732-Y736 PolarHBondContact O-N 2.94Å
733	D	79.1	Confident	83	Confident	90 Å²	90	25.2 Å²	25.2	48%	0.481	14%	0.138	S	C	.	.	H	α-helix	trans	-75.6	-44.6	-176.2	-54.5	-24	0	0	0	112.5	G731 M735 Y736 D737 R769	G731-D733 VanDerWaalsContact C-N 3.3Å; G731-D733 PolarHBondContact O-N 3.41Å; G731-D733 VanDerWaalsContact O-N 3.17Å; D733-M735 VanDerWaalsContact C-N 3.33Å; D733-M735 PolarHBondContact O-N 3.21Å; D733-Y736 WeakPolarHBondContact O-CB 3.41Å; D733-Y736 PolarHBondContact O-N 3.18Å; D733-Y736 VanDerWaalsContact O-N 3.16Å; D733-D737 PolarHBondContact O-N 2.97Å; D733-D737 VanDerWaalsContact O-N 3.16Å; D733-R769 IonicContact OD2-CZ 3.21Å; D733-R769 IonicContact OD2-NH1 2.79Å; D733-R769 PolarHBondContact OD2-NH1 2.96Å; D733-R769 IonicContact OD2-NH2 3.11Å; D733-R769 PolarHBondContact OD2-NH2 2.9Å
734	T	82.3	Confident	82.8	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-40.9	-180	55.3	0	0	0	0	110.8	G731 Y736 F738 R769	G731-T734 PolarHBondContact O-N 2.74Å; G731-T734 PolarHBondContact O-OG1 3.32Å; T734-Y736 VanDerWaalsContact C-N 3.33Å; T734-F738 PolarHBondContact O-N 3.49Å; T734-R769 HydrophobicContact CG2-CB 4.04Å; T734-R769 HydrophobicContact CG2-CG 3.95Å
735	M	83.6	Confident	82.4	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-71.9	-30.5	176	-65.1	-55.1	-72	0	0	111.5	F726 M729 G731 D733 F738 Y739 F825	F726-M735 HydrophobicContact CD1-SD 4.34Å; M729-M735 HydrophobicContact CE-CB 3.66Å; M729-M735 HydrophobicContact CE-CE 4.12Å; M729-M735 HydrophobicContact CE-CG 4.32Å; M729-M735 HydrophobicContact SD-CB 3.74Å; M729-M735 HydrophobicContact SD-CE 3.36Å; M729-M735 WeakPolarHBondContact SD-CE 3.36Å; M729-M735 HydrophobicContact SD-CG 3.72Å; M729-M735 HydrophobicContact SD-SD 4.37Å; G731-M735 PolarHBondContact O-N 3.16Å; G731-M735 VanDerWaalsContact O-N 3.13Å; D733-M735 VanDerWaalsContact C-N 3.33Å; D733-M735 PolarHBondContact O-N 3.21Å; M735-F738 HydrophobicContact CE-CD1 3.95Å; M735-F738 HydrophobicContact CE-CE1 4.39Å; M735-F738 PolarHBondContact O-N 3.14Å; M735-Y739 VanDerWaalsContact C-CD1 3.42Å; M735-Y739 HydrophobicContact CB-CD1 4.44Å; M735-Y739 WeakPolarHBondContact O-CD1 3.34Å; M735-Y739 WeakPolarHBondContact O-CE1 3.4Å; M735-Y739 PolarHBondContact O-N 3.48Å; M735-F825 HydrophobicContact CE-CE2 3.76Å; M735-F825 HydrophobicContact CE-CZ 4.36Å
736	Y	86.2	Confident	82	Confident	112 Å²	112	29.9 Å²	29.9	44%	0.439	16%	0.16	S	C	.	.	H	α-helix	trans	-57.4	-51.3	174.2	-179.9	-85.4	0	0	0	111.9	G732 D733 T734 F738 Y739 T740	G732-Y736 WeakPolarHBondContact O-CB 3.24Å; G732-Y736 PolarHBondContact O-N 2.94Å; D733-Y736 WeakPolarHBondContact O-CB 3.41Å; D733-Y736 PolarHBondContact O-N 3.18Å; D733-Y736 VanDerWaalsContact O-N 3.16Å; T734-Y736 VanDerWaalsContact C-N 3.33Å; Y736-F738 PolarHBondContact O-N 2.96Å; Y736-Y739 AromaticContact CD2-CE2 3.97Å; Y736-Y739 HydrophobicContact CD2-CE2 3.97Å; Y736-Y739 AromaticContact CD2-CZ 3.66Å; Y736-Y739 WeakPolarHBondContact CD2-OH 3.48Å; Y736-Y739 HydrophobicContact CE2-CE2 4.43Å; Y736-Y739 PolarHBondContact O-N 3.13Å; Y736-T740 HydrophobicContact CD1-CG2 4Å; Y736-T740 HydrophobicContact CD2-CG2 4.17Å; Y736-T740 HydrophobicContact CE1-CG2 3.71Å; Y736-T740 HydrophobicContact CE2-CG2 3.85Å; Y736-T740 HydrophobicContact CG-CG2 4.2Å; Y736-T740 WeakPolarHBondContact O-CB 3.45Å; Y736-T740 VanDerWaalsContact O-CG2 3.24Å; Y736-T740 WeakPolarHBondContact O-CG2 3.38Å; Y736-T740 PolarHBondContact O-N 3.12Å; Y736-T740 PolarHBondContact O-OG1 3.22Å
737	D	84.9	Confident	81.4	Confident	68 Å²	68	33.2 Å²	33.2	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-37.3	179.5	-62.1	-23.5	0	0	0	111.6	D733 T740 S741 A765	D733-D737 PolarHBondContact O-N 2.97Å; D733-D737 VanDerWaalsContact O-N 3.16Å; D737-T740 PolarHBondContact O-OG1 3.47Å; D737-S741 WeakPolarHBondContact O-CB 3.39Å; D737-S741 PolarHBondContact O-N 2.69Å; D737-S741 PolarHBondContact O-OG 2.97Å; D737-A765 HydrophobicContact CB-CB 4.23Å
738	F	85.9	Confident	80.8	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-54.8	176.4	171.8	-105.6	0	0	0	113.1	T734 M735 Y736 I742 Q761 L762 A765 I779	T734-F738 PolarHBondContact O-N 3.49Å; M735-F738 HydrophobicContact CE-CD1 3.95Å; M735-F738 HydrophobicContact CE-CE1 4.39Å; M735-F738 PolarHBondContact O-N 3.14Å; Y736-F738 PolarHBondContact O-N 2.96Å; F738-I742 HydrophobicContact CD1-CD1 4.15Å; F738-I742 HydrophobicContact CD2-CD1 4.09Å; F738-I742 HydrophobicContact CE1-CD1 3.54Å; F738-I742 HydrophobicContact CE2-CD1 3.46Å; F738-I742 VanDerWaalsContact CE2-CD1 3.46Å; F738-I742 HydrophobicContact CE2-CG1 4.46Å; F738-I742 HydrophobicContact CG-CD1 4.4Å; F738-I742 HydrophobicContact CZ-CD1 3.14Å; F738-I742 HydrophobicContact CZ-CG1 4.49Å; F738-I742 WeakPolarHBondContact O-CG1 3.43Å; F738-I742 PolarHBondContact O-N 2.67Å; F738-Q761 HydrophobicContact CD2-CB 4.42Å; F738-L762 HydrophobicContact CD2-CB 3.8Å; F738-L762 HydrophobicContact CD2-CG 4.46Å; F738-L762 HydrophobicContact CE2-CB 3.68Å; F738-L762 HydrophobicContact CE2-CD1 4.26Å; F738-L762 HydrophobicContact CE2-CG 4.44Å; F738-L762 HydrophobicContact CZ-CD1 4.32Å; F738-A765 HydrophobicContact CB-CB 4.06Å; F738-I779 HydrophobicContact CE1-CD1 4.4Å; F738-I779 HydrophobicContact CE2-CD1 3.45Å; F738-I779 VanDerWaalsContact CE2-CD1 3.45Å; F738-I779 HydrophobicContact CZ-CD1 3.28Å
739	Y	85.3	Confident	79.9	Confident	16 Å²	16	48.2 Å²	48.2	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-73.5	-29.5	-175.2	67	-113.6	0	0	0	113	M729 M735 Y736 I742 F743	M729-Y739 HydrophobicContact CE-CD1 3.5Å; M729-Y739 VanDerWaalsContact CE-CD1 3.5Å; M729-Y739 HydrophobicContact CE-CE1 3.85Å; M735-Y739 VanDerWaalsContact C-CD1 3.42Å; M735-Y739 HydrophobicContact CB-CD1 4.44Å; M735-Y739 WeakPolarHBondContact O-CD1 3.34Å; M735-Y739 WeakPolarHBondContact O-CE1 3.4Å; M735-Y739 PolarHBondContact O-N 3.48Å; Y736-Y739 AromaticContact CD2-CE2 3.97Å; Y736-Y739 HydrophobicContact CD2-CE2 3.97Å; Y736-Y739 AromaticContact CD2-CZ 3.66Å; Y736-Y739 WeakPolarHBondContact CD2-OH 3.48Å; Y736-Y739 HydrophobicContact CE2-CE2 4.43Å; Y736-Y739 PolarHBondContact O-N 3.13Å; Y739-I742 PolarHBondContact O-N 3.42Å; Y739-F743 AromaticContact CD2-CD2 3.61Å; Y739-F743 HydrophobicContact CD2-CD2 3.61Å; Y739-F743 AromaticContact CD2-CE2 3.26Å; Y739-F743 HydrophobicContact CD2-CE2 3.26Å; Y739-F743 HydrophobicContact CD2-CZ 4.1Å; Y739-F743 HydrophobicContact CE2-CD2 4.4Å; Y739-F743 HydrophobicContact CE2-CE2 4.02Å; Y739-F743 HydrophobicContact CG-CD2 4.42Å; Y739-F743 AromaticContact CG-CE2 3.85Å; Y739-F743 HydrophobicContact CG-CE2 3.85Å; Y739-F743 HydrophobicContact CG-CZ 4.25Å; Y739-F743 WeakPolarHBondContact O-CB 3.18Å; Y739-F743 WeakPolarHBondContact O-CD1 3.2Å; Y739-F743 WeakPolarHBondContact O-CD2 3.39Å; Y739-F743 WeakPolarHBondContact O-CG 3.49Å; Y739-F743 PolarHBondContact O-N 3.42Å
740	T	86.1	Confident	79.5	Confident	15 Å²	15	52.5 Å²	52.5	9%	0.092	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-45.9	176.6	49.2	0	0	0	0	111.1	Y736 D737 I742 F743 D744 Y836	Y736-T740 HydrophobicContact CD1-CG2 4Å; Y736-T740 HydrophobicContact CD2-CG2 4.17Å; Y736-T740 HydrophobicContact CE1-CG2 3.71Å; Y736-T740 HydrophobicContact CE2-CG2 3.85Å; Y736-T740 HydrophobicContact CG-CG2 4.2Å; Y736-T740 WeakPolarHBondContact O-CB 3.45Å; Y736-T740 VanDerWaalsContact O-CG2 3.24Å; Y736-T740 WeakPolarHBondContact O-CG2 3.38Å; Y736-T740 PolarHBondContact O-N 3.12Å; Y736-T740 PolarHBondContact O-OG1 3.22Å; D737-T740 PolarHBondContact O-OG1 3.47Å; T740-I742 PolarHBondContact O-N 2.95Å; T740-F743 PolarHBondContact O-N 3.3Å; T740-F743 VanDerWaalsContact O-N 3.08Å; T740-D744 PolarHBondContact O-N 3.37Å; T740-Y836 HydrophobicContact CG2-CD2 4.13Å; T740-Y836 HydrophobicContact CG2-CE2 3.64Å
741	S	83	Confident	78.9	Confident	38 Å²	38	55.1 Å²	55.1	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-36	174.5	-58.4	0	0	0	0	113	D737	D737-S741 WeakPolarHBondContact O-CB 3.39Å; D737-S741 PolarHBondContact O-N 2.69Å; D737-S741 PolarHBondContact O-OG 2.97Å
742	I	84.3	Confident	79.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-73.3	-45	174.3	-66.4	169.7	0	0	0	111	F738 Y739 T740 D744 K745 I746 L758 L796	F738-I742 HydrophobicContact CD1-CD1 4.15Å; F738-I742 HydrophobicContact CD2-CD1 4.09Å; F738-I742 HydrophobicContact CE1-CD1 3.54Å; F738-I742 HydrophobicContact CE2-CD1 3.46Å; F738-I742 VanDerWaalsContact CE2-CD1 3.46Å; F738-I742 HydrophobicContact CE2-CG1 4.46Å; F738-I742 HydrophobicContact CG-CD1 4.4Å; F738-I742 HydrophobicContact CZ-CD1 3.14Å; F738-I742 HydrophobicContact CZ-CG1 4.49Å; F738-I742 WeakPolarHBondContact O-CG1 3.43Å; F738-I742 PolarHBondContact O-N 2.67Å; Y739-I742 PolarHBondContact O-N 3.42Å; T740-I742 PolarHBondContact O-N 2.95Å; I742-D744 PolarHBondContact O-N 3.48Å; I742-K745 PolarHBondContact O-N 3.07Å; I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.33Å; I742-I746 VanDerWaalsContact O-CG1 3.28Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.48Å; I742-L758 HydrophobicContact CD1-CD2 3.67Å; I742-L758 HydrophobicContact CG1-CD2 3.82Å; I742-L796 HydrophobicContact CG2-CD2 4.45Å
743	F	84.6	Confident	79.2	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-36.7	-177.7	-65.8	-17.9	0	0	0	112.5	Y739 T740 I746 R747 L796 L829 K832 W833 Y836	Y739-F743 AromaticContact CD2-CD2 3.61Å; Y739-F743 HydrophobicContact CD2-CD2 3.61Å; Y739-F743 AromaticContact CD2-CE2 3.26Å; Y739-F743 HydrophobicContact CD2-CE2 3.26Å; Y739-F743 HydrophobicContact CD2-CZ 4.1Å; Y739-F743 HydrophobicContact CE2-CD2 4.4Å; Y739-F743 HydrophobicContact CE2-CE2 4.02Å; Y739-F743 HydrophobicContact CG-CD2 4.42Å; Y739-F743 AromaticContact CG-CE2 3.85Å; Y739-F743 HydrophobicContact CG-CE2 3.85Å; Y739-F743 HydrophobicContact CG-CZ 4.25Å; Y739-F743 WeakPolarHBondContact O-CB 3.18Å; Y739-F743 WeakPolarHBondContact O-CD1 3.2Å; Y739-F743 WeakPolarHBondContact O-CD2 3.39Å; Y739-F743 WeakPolarHBondContact O-CG 3.49Å; Y739-F743 PolarHBondContact O-N 3.42Å; T740-F743 PolarHBondContact O-N 3.3Å; T740-F743 VanDerWaalsContact O-N 3.08Å; F743-I746 HydrophobicContact CD1-CD1 4.31Å; F743-I746 PolarHBondContact O-N 3.1Å; F743-R747 VanDerWaalsContact O-CG 3.31Å; F743-R747 WeakPolarHBondContact O-CG 3.21Å; F743-R747 PolarHBondContact O-N 3.44Å; F743-L796 HydrophobicContact CE1-CD1 3.96Å; F743-L796 HydrophobicContact CE1-CD2 4.06Å; F743-L829 HydrophobicContact CE1-CD1 4.24Å; F743-L829 HydrophobicContact CZ-CD1 3.89Å; F743-L829 HydrophobicContact CZ-CG 4.46Å; F743-K832 HydrophobicContact CE2-CB 4.45Å; F743-W833 HydrophobicContact CD1-CB 4.34Å; F743-W833 AromaticContact CD1-CD1 3.77Å; F743-W833 HydrophobicContact CD1-CG 4.21Å; F743-W833 HydrophobicContact CE1-CB 3.65Å; F743-W833 AromaticContact CE1-CD1 3.97Å; F743-W833 AromaticContact CE1-CG 3.96Å; F743-W833 HydrophobicContact CE1-CG 3.96Å; F743-W833 HydrophobicContact CE2-CB 4.08Å; F743-W833 AromaticContact CG-CD1 3.98Å; F743-W833 VanDerWaalsContact CZ-CA 3.5Å; F743-W833 HydrophobicContact CZ-CB 3.5Å; F743-W833 HydrophobicContact CZ-CG 4.23Å; F743-Y836 HydrophobicContact CB-CD1 3.73Å; F743-Y836 HydrophobicContact CB-CE1 3.73Å; F743-Y836 AromaticContact CD2-CD1 3.64Å; F743-Y836 HydrophobicContact CD2-CD1 3.64Å; F743-Y836 HydrophobicContact CD2-CD2 4.5Å; F743-Y836 HydrophobicContact CD2-CE1 4.33Å; F743-Y836 AromaticContact CD2-CG 3.74Å; F743-Y836 HydrophobicContact CD2-CG 3.74Å; F743-Y836 HydrophobicContact CE2-CG 4.46Å; F743-Y836 HydrophobicContact CG-CD1 4.11Å
744	D	82.3	Confident	79.2	Confident	55 Å²	55	57.4 Å²	57.4	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-44.8	175.8	-75.1	-33.6	0	0	0	111.4	T740 I742 I746 R747 E748 Y836	T740-D744 PolarHBondContact O-N 3.37Å; I742-D744 PolarHBondContact O-N 3.48Å; D744-I746 VanDerWaalsContact C-N 3.33Å; D744-I746 PolarHBondContact O-N 3.06Å; D744-R747 WeakPolarHBondContact O-CB 3.49Å; D744-R747 PolarHBondContact O-N 3Å; D744-R747 VanDerWaalsContact O-N 3.12Å; D744-R747 IonicContact OD1-NH1 2.75Å; D744-R747 PolarHBondContact OD1-NH1 3.44Å; D744-E748 WeakPolarHBondContact O-CG 3.28Å; D744-E748 PolarHBondContact O-N 3.22Å; D744-Y836 PolarHBondContact OD1-OH 2.96Å; D744-Y836 PolarHBondContact OD2-OH 3.4Å
745	K	79.9	Confident	78.9	Confident	57 Å²	57	60.5 Å²	60.5	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-34.2	173.9	-70.5	-165.5	175.8	-160.9	0	114.1	I742 K749 E750 W752 F757	I742-K745 PolarHBondContact O-N 3.07Å; K745-K749 PolarHBondContact O-N 3.14Å; K745-E750 PolarHBondContact O-N 3.38Å; K745-E750 VanDerWaalsContact O-N 3.1Å; K745-W752 HydrophobicContact CB-CB 4.18Å; K745-F757 HydrophobicContact CD-CD1 4.5Å; K745-F757 HydrophobicContact CD-CE1 3.59Å; K745-F757 HydrophobicContact CD-CE2 4.18Å; K745-F757 HydrophobicContact CD-CZ 3.4Å; K745-F757 VanDerWaalsContact CD-CZ 3.4Å
746	I	78.1	Confident	78.8	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-42	173.3	-70.5	168.7	0	0	0	110.3	I742 F743 D744 K749 W752 I795 L796 W833	I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.33Å; I742-I746 VanDerWaalsContact O-CG1 3.28Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.48Å; F743-I746 HydrophobicContact CD1-CD1 4.31Å; F743-I746 PolarHBondContact O-N 3.1Å; D744-I746 VanDerWaalsContact C-N 3.33Å; D744-I746 PolarHBondContact O-N 3.06Å; I746-K749 PolarHBondContact O-N 3.11Å; I746-W752 HydrophobicContact CD1-CD2 4.27Å; I746-W752 HydrophobicContact CG1-CB 4.48Å; I746-W752 HydrophobicContact CG1-CD2 3.87Å; I746-W752 HydrophobicContact CG1-CG 3.74Å; I746-I795 HydrophobicContact CG2-CG2 4.31Å; I746-L796 HydrophobicContact CD1-CD2 4.01Å; I746-L796 HydrophobicContact CD1-CG 4.29Å; I746-W833 HydrophobicContact CG2-CZ2 4.41Å
747	R	71.9	Confident	78.7	Confident	72 Å²	72	60.1 Å²	60.1	27%	0.272	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-38.5	178.3	-72.1	172.6	66.4	-139.4	1.4	112.4	F743 D744 K749	F743-R747 VanDerWaalsContact O-CG 3.31Å; F743-R747 WeakPolarHBondContact O-CG 3.21Å; F743-R747 PolarHBondContact O-N 3.44Å; D744-R747 WeakPolarHBondContact O-CB 3.49Å; D744-R747 PolarHBondContact O-N 3Å; D744-R747 VanDerWaalsContact O-N 3.12Å; D744-R747 IonicContact OD1-NH1 2.75Å; D744-R747 PolarHBondContact OD1-NH1 3.44Å; R747-K749 PolarHBondContact O-N 2.87Å
748	E	72.4	Confident	78.6	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.8	175.1	-68.4	177.5	169.8	0	0	113.2	D744 E750	D744-E748 WeakPolarHBondContact O-CG 3.28Å; D744-E748 PolarHBondContact O-N 3.22Å; E748-E750 HydrophobicContact CB-CG 4.01Å; E748-E750 PolarHBondContact O-N 3.32Å
749	K	67.3	Low	78.5	Confident	192 Å²	192	58.4 Å²	58.4	84%	0.835	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	26.8	-177.6	-57.5	179.6	-179.7	175.1	0	113.7	K745 I746 R747	K745-K749 PolarHBondContact O-N 3.14Å; I746-K749 PolarHBondContact O-N 3.11Å; R747-K749 PolarHBondContact O-N 2.87Å
750	E	71.7	Confident	78.6	Confident	98 Å²	98	61.3 Å²	61.3	46%	0.458	32%	0.316	S	S	.	.			trans	-78.4	164.6	175.7	-61.8	-164.5	152.8	0	0	112.2	K745 E748 W752	K745-E750 PolarHBondContact O-N 3.38Å; K745-E750 VanDerWaalsContact O-N 3.1Å; E748-E750 HydrophobicContact CB-CG 4.01Å; E748-E750 PolarHBondContact O-N 3.32Å; E750-W752 VanDerWaalsContact O-CD1 3.27Å; E750-W752 PolarHBondContact O-N 3.16Å
751	T	66.3	Low	78.4	Confident	134 Å²	134	62.5 Å²	62.5	82%	0.822	32%	0.321	S	S	*	.			trans	-74.4	89.8	175.3	53.3	0	0	0	0	111.1
752	W	72.7	Confident	78.5	Confident	21 Å²	21	60.8 Å²	60.8	8%	0.08	31%	0.308	C	S	.	.			trans	-85.5	-8.8	-180	58.4	-92.2	0	0	0	114.1	K745 I746 E750 N754 F781 I795 L799	K745-W752 HydrophobicContact CB-CB 4.18Å; I746-W752 HydrophobicContact CD1-CD2 4.27Å; I746-W752 HydrophobicContact CG1-CB 4.48Å; I746-W752 HydrophobicContact CG1-CD2 3.87Å; I746-W752 HydrophobicContact CG1-CG 3.74Å; E750-W752 VanDerWaalsContact O-CD1 3.27Å; E750-W752 PolarHBondContact O-N 3.16Å; W752-N754 PolarHBondContact O-N 3.14Å; W752-F781 AromaticContact CH2-CE2 3.78Å; W752-F781 HydrophobicContact CH2-CE2 3.78Å; W752-F781 HydrophobicContact CH2-CZ 4.08Å; W752-F781 HydrophobicContact CZ3-CD2 4.39Å; W752-F781 AromaticContact CZ3-CE2 3.87Å; W752-F781 HydrophobicContact CZ3-CE2 3.87Å; W752-F781 HydrophobicContact CZ3-CZ 4.46Å; W752-I795 HydrophobicContact CH2-CG2 4.34Å; W752-I795 WeakPolarHBondContact CH2-O 3.4Å; W752-I795 HydrophobicContact CZ2-CG2 3.5Å; W752-I795 VanDerWaalsContact CZ2-CG2 3.5Å; W752-I795 VanDerWaalsContact CZ2-O 3.27Å; W752-I795 WeakPolarHBondContact CZ2-O 3.36Å; W752-L799 HydrophobicContact CH2-CD1 4.21Å; W752-L799 HydrophobicContact CZ3-CD1 3.81Å
753	Q	75.5	Confident	78.5	Confident	82 Å²	82	64.6 Å²	64.6	38%	0.383	33%	0.326	S	S	.	.			trans	-77.5	4.8	-174.8	-65.1	175.8	-2.6	0	0	114.8	V755 F781	Q753-V755 PolarHBondContact O-N 3.22Å; Q753-F781 HydrophobicContact CB-CD1 4.49Å; Q753-F781 HydrophobicContact CB-CE1 4.45Å; Q753-F781 HydrophobicContact CG-CE1 4.03Å; Q753-F781 HydrophobicContact CG-CZ 4.11Å
754	N	79.8	Confident	78.5	Confident	84 Å²	84	69.7 Å²	69.7	45%	0.449	35%	0.35	S	S	.	.			trans	-73.7	115.1	179.7	-173.8	-7	0	0	0	110.5	W752 S756 F757 L758	W752-N754 PolarHBondContact O-N 3.14Å; N754-S756 VanDerWaalsContact C-N 3.26Å; N754-S756 PolarHBondContact ND2-OG 3.39Å; N754-S756 PolarHBondContact O-N 3.34Å; N754-S756 PolarHBondContact OD1-N 2.98Å; N754-S756 VanDerWaalsContact OD1-N 3.1Å; N754-S756 PolarHBondContact OD1-OG 2.86Å; N754-F757 HydrophobicContact CB-CB 4.08Å; N754-F757 WeakPolarHBondContact O-CB 3.49Å; N754-F757 PolarHBondContact O-N 3.37Å; N754-F757 VanDerWaalsContact O-N 3.15Å; N754-L758 WeakPolarHBondContact O-CG 3.37Å; N754-L758 PolarHBondContact O-N 3.44Å
755	V	76.3	Confident	78.4	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.418	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-32.6	-179.9	-68.3	0	0	0	0	113.2	Q753 N759 F781	Q753-V755 PolarHBondContact O-N 3.22Å; V755-N759 VanDerWaalsContact O-CB 3.31Å; V755-N759 WeakPolarHBondContact O-CB 3.35Å; V755-N759 PolarHBondContact O-N 3.25Å; V755-N759 PolarHBondContact O-ND2 3.35Å; V755-F781 HydrophobicContact CG1-CB 4.37Å
756	S	80.6	Confident	78.5	Confident	69 Å²	69	64.8 Å²	64.8	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-70.9	-40.3	177.6	62.7	0	0	0	0	111.3	N754 V760	N754-S756 VanDerWaalsContact C-N 3.26Å; N754-S756 PolarHBondContact ND2-OG 3.39Å; N754-S756 PolarHBondContact O-N 3.34Å; N754-S756 PolarHBondContact OD1-N 2.98Å; N754-S756 VanDerWaalsContact OD1-N 3.1Å; N754-S756 PolarHBondContact OD1-OG 2.86Å; S756-V760 WeakPolarHBondContact O-CB 3.44Å; S756-V760 WeakPolarHBondContact O-CG2 3.29Å; S756-V760 PolarHBondContact O-N 3.03Å
757	F	83.9	Confident	78.4	Confident	38 Å²	38	65.4 Å²	65.4	17%	0.167	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-49.2	174.4	169.2	-103.5	0	0	0	111.5	K745 N754 N759 V760 Q761	K745-F757 HydrophobicContact CD-CD1 4.5Å; K745-F757 HydrophobicContact CD-CE1 3.59Å; K745-F757 HydrophobicContact CD-CE2 4.18Å; K745-F757 HydrophobicContact CD-CZ 3.4Å; K745-F757 VanDerWaalsContact CD-CZ 3.4Å; N754-F757 HydrophobicContact CB-CB 4.08Å; N754-F757 WeakPolarHBondContact O-CB 3.49Å; N754-F757 PolarHBondContact O-N 3.37Å; N754-F757 VanDerWaalsContact O-N 3.15Å; F757-N759 VanDerWaalsContact C-N 3.35Å; F757-N759 PolarHBondContact O-N 3.39Å; F757-V760 PolarHBondContact O-N 3.11Å; F757-Q761 HydrophobicContact CD2-CG 3.95Å; F757-Q761 HydrophobicContact CE1-CG 4.14Å; F757-Q761 HydrophobicContact CE2-CG 3.37Å; F757-Q761 HydrophobicContact CZ-CG 3.48Å; F757-Q761 VanDerWaalsContact CZ-CG 3.48Å; F757-Q761 WeakPolarHBondContact O-CG 3.4Å; F757-Q761 PolarHBondContact O-N 3.35Å
758	L	82.6	Confident	78.7	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-42.6	179.6	-67.6	172.8	0	0	0	111.9	I742 N754 L762 I779	I742-L758 HydrophobicContact CD1-CD2 3.67Å; I742-L758 HydrophobicContact CG1-CD2 3.82Å; N754-L758 WeakPolarHBondContact O-CG 3.37Å; N754-L758 PolarHBondContact O-N 3.44Å; L758-L762 WeakPolarHBondContact O-CB 3.38Å; L758-L762 PolarHBondContact O-N 3.23Å; L758-I779 HydrophobicContact CB-CB 4.43Å; L758-I779 HydrophobicContact CB-CD1 4.14Å; L758-I779 HydrophobicContact CB-CG2 4.23Å; L758-I779 HydrophobicContact CD1-CG2 4.19Å
759	N	84.4	Confident	78.7	Confident	35 Å²	35	69 Å²	69	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-42.2	176.9	-79.9	-57	0	0	0	112.3	V755 F757 L762 Q763 S778 I779	V755-N759 VanDerWaalsContact O-CB 3.31Å; V755-N759 WeakPolarHBondContact O-CB 3.35Å; V755-N759 PolarHBondContact O-N 3.25Å; V755-N759 PolarHBondContact O-ND2 3.35Å; F757-N759 VanDerWaalsContact C-N 3.35Å; F757-N759 PolarHBondContact O-N 3.39Å; N759-L762 PolarHBondContact O-N 2.9Å; N759-Q763 VanDerWaalsContact O-CB 3.3Å; N759-Q763 WeakPolarHBondContact O-CB 3.36Å; N759-Q763 WeakPolarHBondContact O-CG 3.4Å; N759-Q763 PolarHBondContact O-N 2.89Å; N759-S778 WeakPolarHBondContact OD1-CA 3.36Å; N759-I779 PolarHBondContact ND2-O 2.99Å; N759-I779 VanDerWaalsContact ND2-O 3.16Å; N759-I779 PolarHBondContact OD1-N 3.42Å
760	V	87.2	Confident	79.1	Confident	78 Å²	78	64.3 Å²	64.3	47%	0.473	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.2	169.3	0	0	0	0	111.1	S756 F757 L762 Q763 E764	S756-V760 WeakPolarHBondContact O-CB 3.44Å; S756-V760 WeakPolarHBondContact O-CG2 3.29Å; S756-V760 PolarHBondContact O-N 3.03Å; F757-V760 PolarHBondContact O-N 3.11Å; V760-L762 PolarHBondContact O-N 3.35Å; V760-Q763 PolarHBondContact O-N 3.46Å; V760-E764 VanDerWaalsContact O-CB 3.32Å; V760-E764 WeakPolarHBondContact O-CB 3.42Å; V760-E764 PolarHBondContact O-N 3.45Å
761	Q	82.8	Confident	79.1	Confident	39 Å²	39	64.2 Å²	64.2	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-39.1	178.5	-71.1	-59.1	-60.1	0	0	112.6	F738 F757 E764 A765	F738-Q761 HydrophobicContact CD2-CB 4.42Å; F757-Q761 HydrophobicContact CD2-CG 3.95Å; F757-Q761 HydrophobicContact CE1-CG 4.14Å; F757-Q761 HydrophobicContact CE2-CG 3.37Å; F757-Q761 HydrophobicContact CZ-CG 3.48Å; F757-Q761 VanDerWaalsContact CZ-CG 3.48Å; F757-Q761 WeakPolarHBondContact O-CG 3.4Å; F757-Q761 PolarHBondContact O-N 3.35Å; Q761-E764 PolarHBondContact NE2-OE2 2.86Å; Q761-A765 WeakPolarHBondContact O-CB 3.42Å; Q761-A765 PolarHBondContact O-N 3.47Å
762	L	83.5	Confident	79.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-44	173.5	-176.7	140.1	0	0	0	111.1	F738 L758 N759 V760 E764 A765 V766 L777 I779 L801	F738-L762 HydrophobicContact CD2-CB 3.8Å; F738-L762 HydrophobicContact CD2-CG 4.46Å; F738-L762 HydrophobicContact CE2-CB 3.68Å; F738-L762 HydrophobicContact CE2-CD1 4.26Å; F738-L762 HydrophobicContact CE2-CG 4.44Å; F738-L762 HydrophobicContact CZ-CD1 4.32Å; L758-L762 WeakPolarHBondContact O-CB 3.38Å; L758-L762 PolarHBondContact O-N 3.23Å; N759-L762 PolarHBondContact O-N 2.9Å; V760-L762 PolarHBondContact O-N 3.35Å; L762-E764 VanDerWaalsContact C-N 3.33Å; L762-E764 PolarHBondContact O-N 3.23Å; L762-A765 PolarHBondContact O-N 2.94Å; L762-V766 HydrophobicContact CD2-CG2 4.17Å; L762-V766 HydrophobicContact CG-CG2 4.18Å; L762-V766 WeakPolarHBondContact O-CB 3.34Å; L762-V766 WeakPolarHBondContact O-CG2 3.29Å; L762-V766 PolarHBondContact O-N 3.35Å; L762-L777 HydrophobicContact CD2-CB 3.39Å; L762-L777 HydrophobicContact CD2-CD1 4.04Å; L762-L777 HydrophobicContact CD2-CG 4.33Å; L762-I779 HydrophobicContact CB-CD1 3.68Å; L762-I779 HydrophobicContact CD1-CD1 3.48Å; L762-I779 VanDerWaalsContact CD1-CD1 3.48Å; L762-I779 HydrophobicContact CD1-CG1 3.82Å; L762-I779 HydrophobicContact CG-CD1 4.16Å; L762-L801 HydrophobicContact CD1-CD1 3.64Å
763	Q	83.9	Confident	79.3	Confident	83 Å²	83	64.5 Å²	64.5	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-36.9	179.9	-76.7	176.6	-13.3	0	0	112.6	N759 V760 G767 S774	N759-Q763 VanDerWaalsContact O-CB 3.3Å; N759-Q763 WeakPolarHBondContact O-CB 3.36Å; N759-Q763 WeakPolarHBondContact O-CG 3.4Å; N759-Q763 PolarHBondContact O-N 2.89Å; V760-Q763 PolarHBondContact O-N 3.46Å; Q763-G767 VanDerWaalsContact O-CA 3.27Å; Q763-G767 WeakPolarHBondContact O-CA 3.36Å; Q763-G767 PolarHBondContact O-N 3.4Å; Q763-S774 VanDerWaalsContact CA-OG 3.26Å; Q763-S774 WeakPolarHBondContact CA-OG 3.39Å; Q763-S774 WeakPolarHBondContact CB-OG 3.24Å; Q763-S774 PolarHBondContact O-OG 2.77Å
764	E	85	Confident	79.2	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-49.8	175.7	-175.6	174.2	-174.4	0	0	111.2	V760 Q761 L762 V766 G767 Q768	V760-E764 VanDerWaalsContact O-CB 3.32Å; V760-E764 WeakPolarHBondContact O-CB 3.42Å; V760-E764 PolarHBondContact O-N 3.45Å; Q761-E764 PolarHBondContact NE2-OE2 2.86Å; L762-E764 VanDerWaalsContact C-N 3.33Å; L762-E764 PolarHBondContact O-N 3.23Å; E764-V766 PolarHBondContact O-N 2.88Å; E764-G767 PolarHBondContact O-N 3.12Å; E764-Q768 PolarHBondContact O-N 2.98Å
765	A	81.6	Confident	79	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-39.3	179.7	0	0	0	0	0	112.8	D737 F738 Q761 L762	D737-A765 HydrophobicContact CB-CB 4.23Å; F738-A765 HydrophobicContact CB-CB 4.06Å; Q761-A765 WeakPolarHBondContact O-CB 3.42Å; Q761-A765 PolarHBondContact O-N 3.47Å; L762-A765 PolarHBondContact O-N 2.94Å
766	V	81.6	Confident	79.1	Confident	1 Å²	1	61 Å²	61	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-79.1	-38.4	178.4	179.2	0	0	0	0	111.3	F726 L762 E764 Q768 R769 Y770 D773 L777	F726-V766 HydrophobicContact CD1-CG2 4.45Å; F726-V766 HydrophobicContact CE1-CG1 3.94Å; F726-V766 HydrophobicContact CE1-CG2 4.02Å; F726-V766 HydrophobicContact CZ-CG1 3.92Å; L762-V766 HydrophobicContact CD2-CG2 4.17Å; L762-V766 HydrophobicContact CG-CG2 4.18Å; L762-V766 WeakPolarHBondContact O-CB 3.34Å; L762-V766 WeakPolarHBondContact O-CG2 3.29Å; L762-V766 PolarHBondContact O-N 3.35Å; E764-V766 PolarHBondContact O-N 2.88Å; V766-Q768 PolarHBondContact O-N 3.23Å; V766-Q768 VanDerWaalsContact O-N 3.16Å; V766-R769 PolarHBondContact O-N 2.92Å; V766-R769 VanDerWaalsContact O-N 3.1Å; V766-Y770 CarbonylContact O-C 3.55Å; V766-Y770 PolarHBondContact O-N 3.25Å; V766-D773 HydrophobicContact CG1-CB 4.43Å; V766-L777 HydrophobicContact CB-CD1 4.48Å; V766-L777 HydrophobicContact CG1-CD1 4.01Å; V766-L777 HydrophobicContact CG2-CD1 3.92Å
767	G	76.3	Confident	79.2	Confident	32 Å²	32	57.9 Å²	57.9	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-23.9	-175.6	0	0	0	0	0	114.3	Q763 E764 R769	Q763-G767 VanDerWaalsContact O-CA 3.27Å; Q763-G767 WeakPolarHBondContact O-CA 3.36Å; Q763-G767 PolarHBondContact O-N 3.4Å; E764-G767 PolarHBondContact O-N 3.12Å; G767-R769 VanDerWaalsContact C-N 3.34Å; G767-R769 PolarHBondContact O-N 3.06Å
768	Q	76.6	Confident	79	Confident	140 Å²	140	58.5 Å²	58.5	65%	0.654	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.7	175.6	-70	-176	10.7	0	0	113.8	E764 V766	E764-Q768 PolarHBondContact O-N 2.98Å; V766-Q768 PolarHBondContact O-N 3.23Å; V766-Q768 VanDerWaalsContact O-N 3.16Å
769	R	73	Confident	79	Confident	136 Å²	136	59 Å²	59	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-32.1	-178.3	-63.8	-164.9	-171	-174.3	-1.9	114	D733 T734 V766 G767	D733-R769 IonicContact OD2-CZ 3.21Å; D733-R769 IonicContact OD2-NH1 2.79Å; D733-R769 PolarHBondContact OD2-NH1 2.96Å; D733-R769 IonicContact OD2-NH2 3.11Å; D733-R769 PolarHBondContact OD2-NH2 2.9Å; T734-R769 HydrophobicContact CG2-CB 4.04Å; T734-R769 HydrophobicContact CG2-CG 3.95Å; V766-R769 PolarHBondContact O-N 2.92Å; V766-R769 VanDerWaalsContact O-N 3.1Å; G767-R769 VanDerWaalsContact C-N 3.34Å; G767-R769 PolarHBondContact O-N 3.06Å
770	Y	76.8	Confident	78.7	Confident	94 Å²	94	59.4 Å²	59.4	37%	0.369	31%	0.312	S	S	.	.			trans	-137.3	82.1	-174.3	-56.9	-77.5	0	0	0	111.3	F726 V766 E772 D773 S774	F726-Y770 HydrophobicContact CE1-CD2 4.5Å; F726-Y770 HydrophobicContact CZ-CD2 4.19Å; F726-Y770 HydrophobicContact CZ-CG 4.48Å; V766-Y770 CarbonylContact O-C 3.55Å; V766-Y770 PolarHBondContact O-N 3.25Å; Y770-E772 PolarHBondContact O-N 3.01Å; Y770-D773 PolarHBondContact O-N 3.08Å; Y770-S774 PolarHBondContact O-N 2.94Å
771	P	71.1	Confident	78	Confident	95 Å²	95	57.5 Å²	57.5	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-34.3	-176	24	-32.9	0	0	0	113.6
772	E	70.1	Confident	77.2	Confident	134 Å²	134	62 Å²	62	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-67.8	-42.1	179.2	-71.9	-68.7	152.6	0	0	112.6	Y770 S775	Y770-E772 PolarHBondContact O-N 3.01Å; E772-S775 PolarHBondContact O-OG 3.44Å
773	D	73.8	Confident	75.8	Confident	28 Å²	28	67.2 Å²	67.2	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-75.3	-27.4	-179.4	-72.2	-48.9	0	0	0	112.9	F726 V766 Y770 S775 R776 L777 Y803	F726-D773 HydrophobicContact CE2-CB 3.8Å; F726-D773 HydrophobicContact CZ-CB 3.96Å; V766-D773 HydrophobicContact CG1-CB 4.43Å; Y770-D773 PolarHBondContact O-N 3.08Å; D773-S775 VanDerWaalsContact C-N 3.26Å; D773-S775 PolarHBondContact O-N 2.91Å; D773-R776 PolarHBondContact O-N 3.49Å; D773-L777 WeakPolarHBondContact O-CG 3.29Å; D773-L777 PolarHBondContact O-N 3.03Å; D773-L777 VanDerWaalsContact O-N 3.07Å; D773-Y803 PolarHBondContact OD1-OH 2.84Å
774	S	73.6	Confident	74.3	Confident	14 Å²	14	66.4 Å²	66.4	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-57.2	-39.2	176.4	-179.6	0	0	0	0	112.1	Q763 Y770 R776	Q763-S774 VanDerWaalsContact CA-OG 3.26Å; Q763-S774 WeakPolarHBondContact CA-OG 3.39Å; Q763-S774 WeakPolarHBondContact CB-OG 3.24Å; Q763-S774 PolarHBondContact O-OG 2.77Å; Y770-S774 PolarHBondContact O-N 2.94Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 2.85Å
775	S	74.9	Confident	72.3	Confident	87 Å²	87	67.4 Å²	67.4	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.9	177.6	73.3	0	0	0	0	114.2	E772 D773	E772-S775 PolarHBondContact O-OG 3.44Å; D773-S775 VanDerWaalsContact C-N 3.26Å; D773-S775 PolarHBondContact O-N 2.91Å
776	R	77.7	Confident	70.6	Confident	60 Å²	60	72 Å²	72	23%	0.226	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.7	-174.1	-62.5	173.7	-173.7	-100.5	2.5	112.5	Y719 D773 S774 Y803 K804	Y719-R776 PolarHBondContact OH-NH1 3.36Å; D773-R776 PolarHBondContact O-N 3.49Å; S774-R776 VanDerWaalsContact C-N 3.27Å; S774-R776 PolarHBondContact O-N 2.85Å; R776-Y803 HydrophobicContact CB-CD2 4.17Å; R776-Y803 HydrophobicContact CB-CE2 3.89Å; R776-K804 HydrophobicContact CB-CB 4.47Å; R776-K804 WeakPolarHBondContact O-CB 3.37Å; R776-K804 PolarHBondContact O-N 3.3Å
777	L	82.3	Confident	68.7	Low	4 Å²	4	76 Å²	76	2%	0.021	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.4	175.9	-68.5	160.6	0	0	0	110.3	F726 L762 V766 D773 L801 S802 Y803	F726-L777 HydrophobicContact CB-CD2 4.36Å; F726-L777 HydrophobicContact CD1-CD1 4.09Å; F726-L777 HydrophobicContact CD2-CD1 3.89Å; F726-L777 HydrophobicContact CD2-CD2 4.19Å; F726-L777 HydrophobicContact CE1-CD1 4.13Å; F726-L777 HydrophobicContact CE2-CD1 3.94Å; F726-L777 HydrophobicContact CG-CD1 3.98Å; F726-L777 HydrophobicContact CG-CD2 4.33Å; F726-L777 HydrophobicContact CZ-CD1 4.06Å; L762-L777 HydrophobicContact CD2-CB 3.39Å; L762-L777 HydrophobicContact CD2-CD1 4.04Å; L762-L777 HydrophobicContact CD2-CG 4.33Å; V766-L777 HydrophobicContact CB-CD1 4.48Å; V766-L777 HydrophobicContact CG1-CD1 4.01Å; V766-L777 HydrophobicContact CG2-CD1 3.92Å; D773-L777 WeakPolarHBondContact O-CG 3.29Å; D773-L777 PolarHBondContact O-N 3.03Å; D773-L777 VanDerWaalsContact O-N 3.07Å; L777-L801 HydrophobicContact CD2-CD1 4.02Å; L777-L801 HydrophobicContact CD2-CD2 4.29Å; L777-L801 HydrophobicContact CD2-CG 4.25Å; L777-S802 CarbonylContact C-O 3.53Å; L777-S802 WeakPolarHBondContact CA-O 3.44Å; L777-Y803 HydrophobicContact CD2-CD2 3.52Å; L777-Y803 HydrophobicContact CD2-CE2 4.36Å; L777-Y803 HydrophobicContact CD2-CG 4.31Å; L777-Y803 HydrophobicContact CG-CD2 3.83Å; L777-Y803 HydrophobicContact CG-CE2 4.34Å
778	S	81.4	Confident	67.3	Low	51 Å²	51	82 Å²	82	36%	0.357	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142	175	54	0	0	0	0	109.4	N759 S802	N759-S778 WeakPolarHBondContact OD1-CA 3.36Å; S778-S802 PolarHBondContact N-O 3.19Å; S778-S802 WeakPolarHBondContact O-CA 3.17Å; S778-S802 WeakPolarHBondContact O-CB 3.4Å; S778-S802 PolarHBondContact O-N 3.16Å; S778-S802 VanDerWaalsContact OG-CB 3.29Å; S778-S802 WeakPolarHBondContact OG-CB 3.48Å; S778-S802 PolarHBondContact OG-O 3.36Å
779	I	81.3	Confident	65.9	Low	11 Å²	11	80.7 Å²	80.7	6%	0.056	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	174.3	-65	160.3	0	0	0	108.1	F738 L758 N759 L762 L801	F738-I779 HydrophobicContact CE1-CD1 4.4Å; F738-I779 HydrophobicContact CE2-CD1 3.45Å; F738-I779 VanDerWaalsContact CE2-CD1 3.45Å; F738-I779 HydrophobicContact CZ-CD1 3.28Å; L758-I779 HydrophobicContact CB-CB 4.43Å; L758-I779 HydrophobicContact CB-CD1 4.14Å; L758-I779 HydrophobicContact CB-CG2 4.23Å; L758-I779 HydrophobicContact CD1-CG2 4.19Å; N759-I779 PolarHBondContact ND2-O 2.99Å; N759-I779 VanDerWaalsContact ND2-O 3.16Å; N759-I779 PolarHBondContact OD1-N 3.42Å; L762-I779 HydrophobicContact CB-CD1 3.68Å; L762-I779 HydrophobicContact CD1-CD1 3.48Å; L762-I779 VanDerWaalsContact CD1-CD1 3.48Å; L762-I779 HydrophobicContact CD1-CG1 3.82Å; L762-I779 HydrophobicContact CG-CD1 4.16Å; I779-L801 HydrophobicContact CG1-CD1 4.02Å
780	S	77.9	Confident	64.6	Low	42 Å²	42	83.3 Å²	83.3	29%	0.294	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	167.8	52.2	0	0	0	0	108.6	T800	S780-T800 PolarHBondContact N-O 3.19Å; S780-T800 PolarHBondContact O-N 2.93Å; S780-T800 WeakPolarHBondContact OG-CB 3.27Å; S780-T800 PolarHBondContact OG-O 2.65Å
781	F	72.7	Confident	63.4	Low	38 Å²	38	82.5 Å²	82.5	17%	0.167	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.1	175.1	-173	-98.3	0	0	0	108.6	W752 Q753 V755 N783 G798 L799	W752-F781 AromaticContact CH2-CE2 3.78Å; W752-F781 HydrophobicContact CH2-CE2 3.78Å; W752-F781 HydrophobicContact CH2-CZ 4.08Å; W752-F781 HydrophobicContact CZ3-CD2 4.39Å; W752-F781 AromaticContact CZ3-CE2 3.87Å; W752-F781 HydrophobicContact CZ3-CE2 3.87Å; W752-F781 HydrophobicContact CZ3-CZ 4.46Å; Q753-F781 HydrophobicContact CB-CD1 4.49Å; Q753-F781 HydrophobicContact CB-CE1 4.45Å; Q753-F781 HydrophobicContact CG-CE1 4.03Å; Q753-F781 HydrophobicContact CG-CZ 4.11Å; V755-F781 HydrophobicContact CG1-CB 4.37Å; F781-N783 HydrophobicContact CE1-CB 4.42Å; F781-G798 WeakPolarHBondContact CA-O 3.47Å; F781-L799 HydrophobicContact CD2-CD1 4.15Å; F781-L799 HydrophobicContact CD2-CG 4.1Å; F781-L799 HydrophobicContact CE2-CD1 3.99Å; F781-L799 HydrophobicContact CE2-CG 4.46Å
782	E	66.2	Low	62.7	Low	135 Å²	135	79.3 Å²	79.3	63%	0.631	42%	0.421	S	S	*	.			trans	-92	119.1	172.7	-69	-176.5	176.7	0	0	108.3	V784 G798	E782-V784 PolarHBondContact O-N 3.35Å; E782-G798 PolarHBondContact N-O 3.14Å; E782-G798 WeakPolarHBondContact O-CA 3.45Å
783	N	53.9	Low	62.1	Low	111 Å²	111	73 Å²	73	59%	0.594	39%	0.392	S	S	*	.			trans	-75.5	93.8	-175.7	-152.3	-3.3	0	0	0	109.2	F781	F781-N783 HydrophobicContact CE1-CB 4.42Å
784	V	52.1	Low	61.4	Low	65 Å²	65	74.2 Å²	74.2	39%	0.394	40%	0.397	S	S	.	.			trans	-68.4	140.2	177.5	-177.6	0	0	0	0	110.3	E782 T786	E782-V784 PolarHBondContact O-N 3.35Å; V784-T786 PolarHBondContact O-N 2.87Å
785	D	43.2	Very low	60.8	Low	129 Å²	129	76.9 Å²	76.9	69%	0.69	41%	0.409	S	S	*	.			trans	-38.3	128.1	-175.9	-82.2	-38.7	0	0	0	114.7	A787 K788	D785-A787 PolarHBondContact O-N 3.31Å; D785-K788 PolarHBondContact O-N 3.32Å
786	T	46.8	Very low	60.5	Low	106 Å²	106	72.8 Å²	72.8	65%	0.65	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-58.8	-11.9	-179.6	38.4	0	0	0	0	114.8	V784 K789	V784-T786 PolarHBondContact O-N 2.87Å; T786-K789 HydrophobicContact CG2-CD 3.98Å; T786-K789 WeakPolarHBondContact O-CB 3.27Å
787	A	40.8	Very low	60	Low	84 Å²	84	72.2 Å²	72.2	69%	0.694	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-77.1	-24.3	180	0	0	0	0	0	114.4	D785	D785-A787 PolarHBondContact O-N 3.31Å
788	K	47.3	Very low	59.4	Low	157 Å²	157	72.4 Å²	72.4	68%	0.683	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-86	-5.1	175.2	-70	-177.6	-178.7	175.6	0	113.7	D785 K790	D785-K788 PolarHBondContact O-N 3.32Å; K788-K790 PolarHBondContact O-N 2.95Å
789	K	48	Very low	59.4	Low	114 Å²	114	70.1 Å²	70.1	50%	0.496	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	26	-176.8	-65.5	-174.3	179.9	179.3	0	115.7	T786	T786-K789 HydrophobicContact CG2-CD 3.98Å; T786-K789 WeakPolarHBondContact O-CB 3.27Å
790	K	44.5	Very low	59.4	Low	190 Å²	190	71.2 Å²	71.2	83%	0.826	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.7	180	-70.9	-171.9	180	-179.7	0	114.2	K788	K788-K790 PolarHBondContact O-N 2.95Å
791	L	52.7	Low	59.8	Low	78 Å²	78	69.3 Å²	69.3	41%	0.408	36%	0.362	S	S	.	.	S	Bend	trans	-119.5	127.8	-179.5	-56.4	166.9	0	0	0	110	V793 H794 N959	L791-V793 PolarHBondContact O-N 3.33Å; L791-V793 VanDerWaalsContact O-N 3.12Å; L791-H794 PolarHBondContact O-N 3.44Å; L791-H794 VanDerWaalsContact O-N 3.13Å; L791-N959 VanDerWaalsContact CD2-ND2 3.26Å; L791-N959 WeakPolarHBondContact CD2-ND2 3.47Å
792	P	55	Low	60.4	Low	27 Å²	27	69.2 Å²	69.2	18%	0.175	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-43.6	-42.2	173.5	-32.9	32.7	0	0	0	113.7	H794 I795 W833 N959 L962 M963	P792-H794 PolarHBondContact O-N 2.94Å; P792-I795 WeakPolarHBondContact O-CB 3.22Å; P792-I795 WeakPolarHBondContact O-CD1 3.48Å; P792-I795 WeakPolarHBondContact O-CG1 3.39Å; P792-I795 PolarHBondContact O-N 3.38Å; P792-W833 HydrophobicContact CB-CH2 4.18Å; P792-W833 WeakPolarHBondContact O-CH2 3.42Å; P792-W833 WeakPolarHBondContact O-CZ3 3.48Å; P792-N959 WeakPolarHBondContact CD-OD1 3.41Å; P792-L962 HydrophobicContact CB-CB 4.11Å; P792-L962 HydrophobicContact CB-CD1 4.18Å; P792-M963 HydrophobicContact CG-CG 4.27Å
793	V	57.8	Low	61.4	Low	3 Å²	3	63 Å²	63	2%	0.018	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-51.6	-31.8	-177.6	-171.8	0	0	0	0	114	L791 I795 Q830 M955 L958 N959 L962	L791-V793 PolarHBondContact O-N 3.33Å; L791-V793 VanDerWaalsContact O-N 3.12Å; V793-I795 VanDerWaalsContact C-N 3.3Å; V793-I795 PolarHBondContact O-N 3.18Å; V793-Q830 HydrophobicContact CG1-CB 4.37Å; V793-Q830 HydrophobicContact CG1-CG 4.25Å; V793-M955 HydrophobicContact CB-CE 4.32Å; V793-M955 HydrophobicContact CG1-CE 3.37Å; V793-M955 HydrophobicContact CG1-SD 4.09Å; V793-L958 HydrophobicContact CG2-CB 4.24Å; V793-N959 HydrophobicContact CG2-CB 3.41Å; V793-N959 VanDerWaalsContact CG2-CB 3.41Å; V793-N959 VanDerWaalsContact CG2-N 3.29Å; V793-L962 HydrophobicContact CB-CD1 4.15Å; V793-L962 HydrophobicContact CG2-CD1 3.59Å
794	H	59	Low	62.9	Low	53 Å²	53	65.3 Å²	65.3	25%	0.245	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-85.6	6.8	-176.1	-61.3	-58.1	0	0	0	114.3	L791 P792 L796 D797	L791-H794 PolarHBondContact O-N 3.44Å; L791-H794 VanDerWaalsContact O-N 3.13Å; P792-H794 PolarHBondContact O-N 2.94Å; H794-L796 PolarHBondContact O-N 3.4Å; H794-D797 HydrophobicContact CB-CB 4.43Å; H794-D797 IonicContact CE1-OD2 3.23Å; H794-D797 IonicContact CG-OD2 2.59Å; H794-D797 IonicContact ND1-OD1 3.54Å; H794-D797 IonicContact ND1-OD2 3.53Å; H794-D797 PolarHBondContact ND1-OD2 2.91Å; H794-D797 WeakPolarHBondContact O-CB 3.43Å; H794-D797 PolarHBondContact O-N 3.32Å; H794-D797 VanDerWaalsContact O-N 3.16Å
795	I	62.2	Low	64.4	Low	70 Å²	70	63 Å²	63	36%	0.359	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63	-31	178.5	-71.9	171.1	0	0	0	111.2	I746 W752 P792 V793 W833	I746-I795 HydrophobicContact CG2-CG2 4.31Å; W752-I795 HydrophobicContact CH2-CG2 4.34Å; W752-I795 WeakPolarHBondContact CH2-O 3.4Å; W752-I795 HydrophobicContact CZ2-CG2 3.5Å; W752-I795 VanDerWaalsContact CZ2-CG2 3.5Å; W752-I795 VanDerWaalsContact CZ2-O 3.27Å; W752-I795 WeakPolarHBondContact CZ2-O 3.36Å; P792-I795 WeakPolarHBondContact O-CB 3.22Å; P792-I795 WeakPolarHBondContact O-CD1 3.48Å; P792-I795 WeakPolarHBondContact O-CG1 3.39Å; P792-I795 PolarHBondContact O-N 3.38Å; V793-I795 VanDerWaalsContact C-N 3.3Å; V793-I795 PolarHBondContact O-N 3.18Å; I795-W833 HydrophobicContact CB-CH2 4.12Å; I795-W833 HydrophobicContact CB-CZ3 4.35Å; I795-W833 HydrophobicContact CD1-CH2 4.01Å; I795-W833 HydrophobicContact CG1-CH2 4.43Å
796	L	66.9	Low	66.3	Low	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-90.6	2.5	178.5	-69.8	139.8	0	0	0	113.5	I742 F743 I746 H794 G798 L799 L826 L829 W833	I742-L796 HydrophobicContact CG2-CD2 4.45Å; F743-L796 HydrophobicContact CE1-CD1 3.96Å; F743-L796 HydrophobicContact CE1-CD2 4.06Å; I746-L796 HydrophobicContact CD1-CD2 4.01Å; I746-L796 HydrophobicContact CD1-CG 4.29Å; H794-L796 PolarHBondContact O-N 3.4Å; L796-G798 PolarHBondContact O-N 3.09Å; L796-L799 HydrophobicContact CB-CD1 4.16Å; L796-L799 HydrophobicContact CD2-CD1 4Å; L796-L799 WeakPolarHBondContact O-CD1 3.48Å; L796-L826 WeakPolarHBondContact O-CD2 3.24Å; L796-L829 HydrophobicContact CD2-CD2 3.82Å; L796-L829 HydrophobicContact CD2-CG 4.2Å; L796-W833 HydrophobicContact CD1-CB 3.78Å; L796-W833 HydrophobicContact CD1-CD2 3.6Å; L796-W833 HydrophobicContact CD1-CE3 3.4Å; L796-W833 HydrophobicContact CD1-CG 3.75Å; L796-W833 HydrophobicContact CD1-CZ3 4.08Å
797	D	68	Low	67.8	Low	48 Å²	48	57.1 Å²	57.1	26%	0.257	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	109.8	178.8	-67.3	12.4	0	0	0	108.8	H794 Q830	H794-D797 HydrophobicContact CB-CB 4.43Å; H794-D797 IonicContact CE1-OD2 3.23Å; H794-D797 IonicContact CG-OD2 2.59Å; H794-D797 IonicContact ND1-OD1 3.54Å; H794-D797 IonicContact ND1-OD2 3.53Å; H794-D797 PolarHBondContact ND1-OD2 2.91Å; H794-D797 WeakPolarHBondContact O-CB 3.43Å; H794-D797 PolarHBondContact O-N 3.32Å; H794-D797 VanDerWaalsContact O-N 3.16Å; D797-Q830 PolarHBondContact OD1-NE2 2.99Å
798	G	69.1	Low	69.7	Low	8 Å²	8	53.2 Å²	53.2	8%	0.082	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	133.9	-13.2	-177.8	0	0	0	0	0	114.3	F781 E782 L796 T800	F781-G798 WeakPolarHBondContact CA-O 3.47Å; E782-G798 PolarHBondContact N-O 3.14Å; E782-G798 WeakPolarHBondContact O-CA 3.45Å; L796-G798 PolarHBondContact O-N 3.09Å; G798-T800 PolarHBondContact O-N 3.39Å
799	L	81.1	Confident	71.4	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	118	170.8	-73	90.3	0	0	0	110.3	W752 F781 L796 L826 L829	W752-L799 HydrophobicContact CH2-CD1 4.21Å; W752-L799 HydrophobicContact CZ3-CD1 3.81Å; F781-L799 HydrophobicContact CD2-CD1 4.15Å; F781-L799 HydrophobicContact CD2-CG 4.1Å; F781-L799 HydrophobicContact CE2-CD1 3.99Å; F781-L799 HydrophobicContact CE2-CG 4.46Å; L796-L799 HydrophobicContact CB-CD1 4.16Å; L796-L799 HydrophobicContact CD2-CD1 4Å; L796-L799 WeakPolarHBondContact O-CD1 3.48Å; L799-L826 HydrophobicContact CB-CD2 4.37Å; L799-L826 VanDerWaalsContact O-CD2 3.27Å; L799-L826 WeakPolarHBondContact O-CD2 3.47Å; L799-L829 HydrophobicContact CD2-CD2 4.43Å
800	T	82.2	Confident	73.2	Confident	33 Å²	33	41.5 Å²	41.5	20%	0.202	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.6	176.2	-59	0	0	0	0	109.5	S780 G798 N822	S780-T800 PolarHBondContact N-O 3.19Å; S780-T800 PolarHBondContact O-N 2.93Å; S780-T800 WeakPolarHBondContact OG-CB 3.27Å; S780-T800 PolarHBondContact OG-O 2.65Å; G798-T800 PolarHBondContact O-N 3.39Å; T800-N822 WeakPolarHBondContact CG2-ND2 3.15Å
801	L	86.1	Confident	75.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.4	175.5	-175.2	63.7	0	0	0	109.6	F726 F727 L762 L777 I779 N822 F825	F726-L801 HydrophobicContact CB-CD2 4.25Å; F727-L801 HydrophobicContact CD1-CB 4.41Å; F727-L801 HydrophobicContact CD1-CD2 4.15Å; F727-L801 HydrophobicContact CD2-CD2 4.18Å; F727-L801 HydrophobicContact CE1-CB 3.88Å; F727-L801 HydrophobicContact CE1-CD2 4.1Å; F727-L801 HydrophobicContact CE1-CG 4.06Å; F727-L801 VanDerWaalsContact CE1-O 3.28Å; F727-L801 WeakPolarHBondContact CE1-O 3.42Å; F727-L801 HydrophobicContact CE2-CD2 4.09Å; F727-L801 HydrophobicContact CE2-CG 4.37Å; F727-L801 HydrophobicContact CG-CD2 4.22Å; F727-L801 HydrophobicContact CZ-CB 4.22Å; F727-L801 HydrophobicContact CZ-CD2 4.06Å; F727-L801 HydrophobicContact CZ-CG 3.94Å; F727-L801 WeakPolarHBondContact CZ-O 3.19Å; L762-L801 HydrophobicContact CD1-CD1 3.64Å; L777-L801 HydrophobicContact CD2-CD1 4.02Å; L777-L801 HydrophobicContact CD2-CD2 4.29Å; L777-L801 HydrophobicContact CD2-CG 4.25Å; I779-L801 HydrophobicContact CG1-CD1 4.02Å; L801-N822 PolarHBondContact N-OD1 3.16Å; L801-N822 PolarHBondContact O-ND2 3.05Å; L801-N822 PolarHBondContact O-OD1 3.17Å; L801-F825 HydrophobicContact CB-CE1 4.41Å
802	S	85.3	Confident	76.6	Confident	35 Å²	35	29.1 Å²	29.1	25%	0.245	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.4	-179.7	-72.6	0	0	0	0	111.1	L777 S778	L777-S802 CarbonylContact C-O 3.53Å; L777-S802 WeakPolarHBondContact CA-O 3.44Å; S778-S802 PolarHBondContact N-O 3.19Å; S778-S802 WeakPolarHBondContact O-CA 3.17Å; S778-S802 WeakPolarHBondContact O-CB 3.4Å; S778-S802 PolarHBondContact O-N 3.16Å; S778-S802 VanDerWaalsContact OG-CB 3.29Å; S778-S802 WeakPolarHBondContact OG-CB 3.48Å; S778-S802 PolarHBondContact OG-O 3.36Å
803	Y	87.6	Confident	78.1	Confident	5 Å²	5	27.9 Å²	27.9	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118	174.6	-174.1	-110.9	0	0	0	110.6	Y719 M723 D773 R776 L777 V805	Y719-Y803 AromaticContact CD1-CE1 3.81Å; Y719-Y803 HydrophobicContact CD1-CE1 3.81Å; Y719-Y803 AromaticContact CD1-CZ 3.94Å; Y719-Y803 WeakPolarHBondContact CD1-OH 3.3Å; Y719-Y803 HydrophobicContact CE1-CE1 4.43Å; Y719-Y803 WeakPolarHBondContact CE1-OH 3.45Å; M723-Y803 HydrophobicContact CG-CD1 4.38Å; M723-Y803 HydrophobicContact SD-CD1 3.43Å; M723-Y803 WeakPolarHBondContact SD-CD1 3.47Å; M723-Y803 HydrophobicContact SD-CE1 4.17Å; M723-Y803 HydrophobicContact SD-CG 3.86Å; D773-Y803 PolarHBondContact OD1-OH 2.84Å; R776-Y803 HydrophobicContact CB-CD2 4.17Å; R776-Y803 HydrophobicContact CB-CE2 3.89Å; L777-Y803 HydrophobicContact CD2-CD2 3.52Å; L777-Y803 HydrophobicContact CD2-CE2 4.36Å; L777-Y803 HydrophobicContact CD2-CG 4.31Å; L777-Y803 HydrophobicContact CG-CD2 3.83Å; L777-Y803 HydrophobicContact CG-CE2 4.34Å; Y803-V805 HydrophobicContact CD1-CG2 3.52Å; Y803-V805 HydrophobicContact CE1-CG2 3.87Å; Y803-V805 PolarHBondContact O-N 3.19Å
804	K	84.9	Confident	79.3	Confident	159 Å²	159	29.5 Å²	29.5	69%	0.691	15%	0.154	S	C	*	.			trans	-82.4	99.8	-177.9	-172.8	179.5	178.6	-177.8	0	110.5	R776	R776-K804 HydrophobicContact CB-CB 4.47Å; R776-K804 WeakPolarHBondContact O-CB 3.37Å; R776-K804 PolarHBondContact O-N 3.3Å
805	V	84.4	Confident	80.5	Confident	16 Å²	16	31.8 Å²	31.8	10%	0.097	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-86.7	132.2	177.9	-176.4	0	0	0	0	110.5	Y803 V809 D810 I813	Y803-V805 HydrophobicContact CD1-CG2 3.52Å; Y803-V805 HydrophobicContact CE1-CG2 3.87Å; Y803-V805 PolarHBondContact O-N 3.19Å; V805-V809 HydrophobicContact CG1-CB 3.62Å; V805-V809 HydrophobicContact CG1-CG1 3.55Å; V805-D810 HydrophobicContact CG1-CB 4.4Å; V805-I813 HydrophobicContact CG1-CB 4.49Å; V805-I813 HydrophobicContact CG1-CD1 4.48Å; V805-I813 HydrophobicContact CG2-CB 4.16Å; V805-I813 HydrophobicContact CG2-CD1 4.2Å; V805-I813 HydrophobicContact CG2-CG2 4.02Å
806	P	83.1	Confident	81.5	Confident	42 Å²	42	33.2 Å²	33.2	27%	0.273	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-78.3	153.9	174.7	32.7	-33.4	0	0	0	111.8	Y719 V809 D810	Y719-P806 HydrophobicContact CE1-CG 4.27Å; P806-V809 PolarHBondContact O-N 3.21Å; P806-D810 PolarHBondContact O-N 2.57Å
807	W	77.6	Confident	82.5	Confident	71 Å²	71	33.5 Å²	33.5	27%	0.269	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	137.3	165.1	-177.8	92	0	0	0	109.1	L568 N571 L572	L568-W807 HydrophobicContact CD1-CH2 4.34Å; L568-W807 HydrophobicContact CD1-CZ2 3.69Å; N571-W807 HydrophobicContact CB-CH2 4.42Å; L572-W807 HydrophobicContact CD2-CE3 4.04Å; L572-W807 HydrophobicContact CD2-CH2 3.28Å; L572-W807 HydrophobicContact CD2-CZ2 4.12Å; L572-W807 HydrophobicContact CD2-CZ3 3.24Å; L572-W807 HydrophobicContact CG-CH2 4.01Å; L572-W807 HydrophobicContact CG-CZ3 4.38Å
808	P	79.8	Confident	83.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.4	1	9.7	38.5	-38.7	0	0	0	115.6	L568 L572 L710 Y714 D810 I811	L568-P808 HydrophobicContact CD1-CB 4.47Å; L572-P808 HydrophobicContact CD1-CG 4.17Å; L572-P808 HydrophobicContact CD2-CB 3.98Å; L572-P808 HydrophobicContact CD2-CG 3.62Å; L710-P808 HydrophobicContact CD1-CB 4.48Å; L710-P808 HydrophobicContact CD1-CG 3.68Å; Y714-P808 HydrophobicContact CD1-CG 3.95Å; Y714-P808 HydrophobicContact CD2-CG 4.24Å; Y714-P808 HydrophobicContact CE1-CG 4.07Å; Y714-P808 HydrophobicContact CE2-CG 4.38Å; Y714-P808 HydrophobicContact CG-CG 4.03Å; P808-D810 PolarHBondContact O-N 3.47Å; P808-I811 HydrophobicContact CB-CD1 4.2Å; P808-I811 WeakPolarHBondContact O-CB 3.3Å; P808-I811 VanDerWaalsContact O-CG1 3.3Å; P808-I811 WeakPolarHBondContact O-CG1 3.49Å; P808-I811 PolarHBondContact O-N 3.3Å; P808-I811 VanDerWaalsContact O-N 3.11Å
809	V	84.7	Confident	84.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.9	-24.4	-176.7	178.6	0	0	0	0	112.3	L710 L716 Y719 V805 P806 I811 V812 I813	L710-V809 HydrophobicContact CD1-CG2 4.34Å; L716-V809 HydrophobicContact CD1-CB 4.41Å; L716-V809 HydrophobicContact CD1-CG1 3.53Å; L716-V809 HydrophobicContact CD1-CG2 4.31Å; Y719-V809 HydrophobicContact CD2-CG1 4.42Å; Y719-V809 HydrophobicContact CD2-CG2 4.26Å; Y719-V809 HydrophobicContact CG-CG1 4.24Å; V805-V809 HydrophobicContact CG1-CB 3.62Å; V805-V809 HydrophobicContact CG1-CG1 3.55Å; P806-V809 PolarHBondContact O-N 3.21Å; V809-I811 PolarHBondContact O-N 3.19Å; V809-I811 VanDerWaalsContact O-N 3.14Å; V809-V812 PolarHBondContact O-N 3.46Å; V809-I813 HydrophobicContact CG1-CD1 3.92Å; V809-I813 HydrophobicContact CG1-CG1 4.28Å; V809-I813 PolarHBondContact O-N 2.89Å
810	D	84.7	Confident	84.6	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.134	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.5	-23.4	172.9	-164.5	41.1	0	0	0	113.4	R505 V805 P806 P808 V812 I813	R505-D810 WeakPolarHBondContact CD-OD2 3.29Å; R505-D810 VanDerWaalsContact CG-OD2 3.27Å; R505-D810 WeakPolarHBondContact CG-OD2 3.43Å; R505-D810 IonicContact CZ-OD2 2.84Å; R505-D810 IonicContact NE-OD1 2.83Å; R505-D810 IonicContact NE-OD2 3.96Å; R505-D810 PolarHBondContact NE-OD2 3.46Å; R505-D810 IonicContact NH2-OD2 2.89Å; V805-D810 HydrophobicContact CG1-CB 4.4Å; P806-D810 PolarHBondContact O-N 2.57Å; P808-D810 PolarHBondContact O-N 3.47Å; D810-V812 VanDerWaalsContact C-N 3.29Å; D810-V812 PolarHBondContact O-N 3.48Å; D810-I813 CarbonylContact O-C 3.58Å
811	I	83.8	Confident	84.9	Confident	7 Å²	7	36 Å²	36	4%	0.036	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.4	-35.9	174.7	-59.8	169	0	0	0	111	W508 L568 P808 V809 L923 I927	W508-I811 HydrophobicContact CB-CG2 3.79Å; W508-I811 HydrophobicContact CD2-CG2 4.36Å; W508-I811 HydrophobicContact CG-CG2 3.99Å; L568-I811 HydrophobicContact CD1-CD1 4.16Å; L568-I811 HydrophobicContact CD2-CD1 3.81Å; P808-I811 HydrophobicContact CB-CD1 4.2Å; P808-I811 WeakPolarHBondContact O-CB 3.3Å; P808-I811 VanDerWaalsContact O-CG1 3.3Å; P808-I811 WeakPolarHBondContact O-CG1 3.49Å; P808-I811 PolarHBondContact O-N 3.3Å; P808-I811 VanDerWaalsContact O-N 3.11Å; V809-I811 PolarHBondContact O-N 3.19Å; V809-I811 VanDerWaalsContact O-N 3.14Å; I811-L923 HydrophobicContact CG2-CD2 4.3Å; I811-I927 HydrophobicContact CG2-CD1 4.23Å
812	V	85.5	Confident	85	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-46.6	179.3	-176.1	0	0	0	0	110.5	L710 L716 V809 D810 S814 L923 L926 I927	L710-V812 HydrophobicContact CD2-CG2 4.5Å; L716-V812 HydrophobicContact CD1-CB 4.41Å; L716-V812 HydrophobicContact CD1-CG2 4.41Å; V809-V812 PolarHBondContact O-N 3.46Å; D810-V812 VanDerWaalsContact C-N 3.29Å; D810-V812 PolarHBondContact O-N 3.48Å; V812-S814 PolarHBondContact O-N 3.11Å; V812-L923 HydrophobicContact CG2-CD1 3.55Å; V812-L926 HydrophobicContact CG1-CD2 4.32Å; V812-L926 HydrophobicContact CG1-CG 4.31Å; V812-L926 HydrophobicContact CG2-CD2 4.12Å; V812-I927 HydrophobicContact CG2-CG1 4.32Å
813	I	85.6	Confident	85.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-93.4	77.6	-179.2	-50.7	177.5	0	0	0	108.8	L720 M723 V805 V809 D810	L720-I813 HydrophobicContact CD2-CD1 4.46Å; L720-I813 HydrophobicContact CD2-CG1 4.43Å; M723-I813 HydrophobicContact CE-CG2 4.13Å; M723-I813 HydrophobicContact CG-CD1 4.02Å; M723-I813 HydrophobicContact SD-CG2 4.46Å; V805-I813 HydrophobicContact CG1-CB 4.49Å; V805-I813 HydrophobicContact CG1-CD1 4.48Å; V805-I813 HydrophobicContact CG2-CB 4.16Å; V805-I813 HydrophobicContact CG2-CD1 4.2Å; V805-I813 HydrophobicContact CG2-CG2 4.02Å; V809-I813 HydrophobicContact CG1-CD1 3.92Å; V809-I813 HydrophobicContact CG1-CG1 4.28Å; V809-I813 PolarHBondContact O-N 2.89Å; D810-I813 CarbonylContact O-C 3.58Å
814	S	83.5	Confident	85.1	Confident	37 Å²	37	39.1 Å²	39.1	26%	0.259	19%	0.19	S	C	.	.			trans	-69.2	158.5	177.8	76.1	0	0	0	0	112.5	V812 E816 C817 Q818	V812-S814 PolarHBondContact O-N 3.11Å; S814-E816 PolarHBondContact O-N 3.44Å; S814-E816 PolarHBondContact OG-N 3.1Å; S814-C817 WeakPolarHBondContact O-CB 3.34Å; S814-C817 PolarHBondContact O-N 2.91Å; S814-C817 VanDerWaalsContact O-N 3.12Å; S814-C817 PolarHBondContact OG-N 2.88Å; S814-C817 VanDerWaalsContact OG-N 3.14Å; S814-C817 PolarHBondContact OG-SG 3.29Å; S814-Q818 PolarHBondContact O-N 3.44Å; S814-Q818 VanDerWaalsContact O-N 3.1Å
815	L	83.8	Confident	85.3	Confident	101 Å²	101	31.8 Å²	31.8	53%	0.529	16%	0.158	S	C	.	.	H	α-helix	trans	-58.6	-31.5	172.6	-173.8	65.7	0	0	0	112.4	Q818 K819	L815-Q818 WeakPolarHBondContact O-CB 3.47Å; L815-Q818 PolarHBondContact O-N 3.26Å; L815-K819 PolarHBondContact O-N 3.04Å
816	E	84.4	Confident	85.3	Confident	99 Å²	99	32.8 Å²	32.8	46%	0.463	16%	0.163	S	C	.	.	H	α-helix	trans	-69	-42.8	176.6	-170.2	56.6	-148.3	0	0	111.4	S814 Q818 K819 I820	S814-E816 PolarHBondContact O-N 3.44Å; S814-E816 PolarHBondContact OG-N 3.1Å; E816-Q818 PolarHBondContact O-N 3.46Å; E816-K819 WeakPolarHBondContact O-CB 3.37Å; E816-K819 PolarHBondContact O-N 3.05Å; E816-K819 IonicContact OE2-NZ 3.43Å; E816-K819 PolarHBondContact OE2-NZ 3.22Å; E816-I820 PolarHBondContact O-N 3Å
817	C	86.7	Confident	85.5	Confident	7 Å²	7	31.3 Å²	31.3	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-40.1	172.9	-68.2	0	0	0	0	111.4	S814 K819 I820 Y821 L934	S814-C817 WeakPolarHBondContact O-CB 3.34Å; S814-C817 PolarHBondContact O-N 2.91Å; S814-C817 VanDerWaalsContact O-N 3.12Å; S814-C817 PolarHBondContact OG-N 2.88Å; S814-C817 VanDerWaalsContact OG-N 3.14Å; S814-C817 PolarHBondContact OG-SG 3.29Å; C817-K819 PolarHBondContact O-N 2.98Å; C817-I820 PolarHBondContact O-N 3.39Å; C817-Y821 WeakPolarHBondContact O-CD2 3.32Å; C817-Y821 PolarHBondContact O-N 2.99Å; C817-L934 HydrophobicContact CB-CD1 3.51Å
818	Q	88	Confident	85.9	Confident	19 Å²	19	27.9 Å²	27.9	9%	0.089	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-33.6	179.5	-168.6	173	-9.4	0	0	113.4	F727 S814 L815 E816 Y821 N822	F727-Q818 HydrophobicContact CE1-CG 4.27Å; F727-Q818 HydrophobicContact CZ-CG 4.1Å; S814-Q818 PolarHBondContact O-N 3.44Å; S814-Q818 VanDerWaalsContact O-N 3.1Å; L815-Q818 WeakPolarHBondContact O-CB 3.47Å; L815-Q818 PolarHBondContact O-N 3.26Å; E816-Q818 PolarHBondContact O-N 3.46Å; Q818-Y821 PolarHBondContact O-N 2.79Å; Q818-N822 PolarHBondContact O-N 2.72Å; Q818-N822 PolarHBondContact O-ND2 3.31Å
819	K	86.8	Confident	86.3	Confident	104 Å²	104	28 Å²	28	45%	0.452	14%	0.14	S	C	.	.	H	α-helix	trans	-62.6	-42.8	171.3	-66.5	176.5	-164.6	159.5	0	111.6	L815 E816 C817 Y821 N822 Q823	L815-K819 PolarHBondContact O-N 3.04Å; E816-K819 WeakPolarHBondContact O-CB 3.37Å; E816-K819 PolarHBondContact O-N 3.05Å; E816-K819 IonicContact OE2-NZ 3.43Å; E816-K819 PolarHBondContact OE2-NZ 3.22Å; C817-K819 PolarHBondContact O-N 2.98Å; K819-Y821 VanDerWaalsContact C-N 3.34Å; K819-Y821 PolarHBondContact O-N 3.22Å; K819-N822 WeakPolarHBondContact O-CB 3.46Å; K819-N822 PolarHBondContact O-N 2.84Å; K819-Q823 WeakPolarHBondContact O-CG 3.19Å; K819-Q823 PolarHBondContact O-N 2.94Å
820	I	87.8	Confident	86.4	Confident	21 Å²	21	28.5 Å²	28.5	11%	0.108	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-44	177.8	-59.7	175.2	0	0	0	110.3	E816 C817 N822 Q823 V824 Y931 L934 H938	E816-I820 PolarHBondContact O-N 3Å; C817-I820 PolarHBondContact O-N 3.39Å; I820-N822 VanDerWaalsContact C-N 3.34Å; I820-N822 PolarHBondContact O-N 3.02Å; I820-Q823 PolarHBondContact O-N 3.48Å; I820-V824 PolarHBondContact O-N 3.34Å; I820-Y931 HydrophobicContact CD1-CE2 4.47Å; I820-L934 HydrophobicContact CG2-CB 4.28Å; I820-L934 HydrophobicContact CG2-CD2 4.28Å; I820-H938 HydrophobicContact CG2-CB 3.98Å
821	Y	89.3	Confident	86.5	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-43.5	173.8	-79.7	-64.3	0	0	0	112.5	M723 F727 L728 C817 Q818 K819 Q823 V824 F825 H930 Y933 L934	M723-Y821 HydrophobicContact CE-CD2 3.54Å; M723-Y821 HydrophobicContact CE-CE2 3.86Å; M723-Y821 HydrophobicContact CE-CG 4.15Å; F727-Y821 HydrophobicContact CB-CD1 4.12Å; F727-Y821 HydrophobicContact CB-CG 4.33Å; F727-Y821 HydrophobicContact CG-CG 4.4Å; L728-Y821 HydrophobicContact CD1-CD1 3.5Å; L728-Y821 VanDerWaalsContact CD1-CD1 3.5Å; L728-Y821 HydrophobicContact CD1-CE1 3.53Å; C817-Y821 WeakPolarHBondContact O-CD2 3.32Å; C817-Y821 PolarHBondContact O-N 2.99Å; Q818-Y821 PolarHBondContact O-N 2.79Å; K819-Y821 VanDerWaalsContact C-N 3.34Å; K819-Y821 PolarHBondContact O-N 3.22Å; Y821-Q823 VanDerWaalsContact C-N 3.33Å; Y821-Q823 PolarHBondContact O-N 3.26Å; Y821-V824 PolarHBondContact O-N 3.04Å; Y821-F825 WeakPolarHBondContact O-CB 3.45Å; Y821-F825 PolarHBondContact O-N 3.42Å; Y821-H930 AromaticContact CE2-CE1 3.93Å; Y821-H930 AromaticContact CE2-NE2 3.63Å; Y821-H930 AromaticContact CZ-NE2 3.69Å; Y821-H930 PolarHBondContact OH-NE2 2.99Å; Y821-Y933 HydrophobicContact CE1-CE1 4.47Å; Y821-L934 HydrophobicContact CD1-CD2 3.71Å; Y821-L934 HydrophobicContact CD2-CD1 4.29Å; Y821-L934 HydrophobicContact CD2-CD2 3.89Å; Y821-L934 HydrophobicContact CE1-CD2 3.38Å; Y821-L934 HydrophobicContact CE2-CD1 3.86Å; Y821-L934 HydrophobicContact CE2-CD2 3.58Å; Y821-L934 HydrophobicContact CE2-CG 4.15Å; Y821-L934 HydrophobicContact CG-CD2 3.95Å
822	N	88.3	Confident	86.7	Confident	13 Å²	13	28.7 Å²	28.7	7%	0.07	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-38.8	178	-85.9	-46	0	0	0	113.1	F727 T800 L801 Q818 K819 I820 V824 F825 L826	F727-N822 WeakPolarHBondContact CE1-OD1 3.37Å; T800-N822 WeakPolarHBondContact CG2-ND2 3.15Å; L801-N822 PolarHBondContact N-OD1 3.16Å; L801-N822 PolarHBondContact O-ND2 3.05Å; L801-N822 PolarHBondContact O-OD1 3.17Å; Q818-N822 PolarHBondContact O-N 2.72Å; Q818-N822 PolarHBondContact O-ND2 3.31Å; K819-N822 WeakPolarHBondContact O-CB 3.46Å; K819-N822 PolarHBondContact O-N 2.84Å; I820-N822 VanDerWaalsContact C-N 3.34Å; I820-N822 PolarHBondContact O-N 3.02Å; N822-V824 VanDerWaalsContact C-N 3.34Å; N822-V824 PolarHBondContact O-N 2.82Å; N822-F825 PolarHBondContact O-N 3.27Å; N822-L826 WeakPolarHBondContact O-CB 3.27Å; N822-L826 WeakPolarHBondContact O-CG 3.27Å; N822-L826 PolarHBondContact O-N 2.97Å
823	Q	85.8	Confident	86.7	Confident	93 Å²	93	29 Å²	29	44%	0.435	14%	0.143	S	C	.	.	H	α-helix	trans	-64.6	-39.4	176.8	-67	176.9	4.5	0	0	112.1	K819 I820 Y821 L827 H938 L943	K819-Q823 WeakPolarHBondContact O-CG 3.19Å; K819-Q823 PolarHBondContact O-N 2.94Å; I820-Q823 PolarHBondContact O-N 3.48Å; Y821-Q823 VanDerWaalsContact C-N 3.33Å; Y821-Q823 PolarHBondContact O-N 3.26Å; Q823-L827 PolarHBondContact O-N 3.47Å; Q823-H938 PolarHBondContact OE1-NE2 3.07Å; Q823-H938 VanDerWaalsContact OE1-NE2 3.1Å; Q823-L943 HydrophobicContact CB-CD2 3.54Å
824	V	88.7	Confident	86.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-43.5	175.3	178.4	0	0	0	0	110.7	I820 Y821 N822 L826 L827 L828 L906 I937	I820-V824 PolarHBondContact O-N 3.34Å; Y821-V824 PolarHBondContact O-N 3.04Å; N822-V824 VanDerWaalsContact C-N 3.34Å; N822-V824 PolarHBondContact O-N 2.82Å; V824-L826 VanDerWaalsContact C-N 3.35Å; V824-L826 PolarHBondContact O-N 3.35Å; V824-L827 PolarHBondContact O-N 3.14Å; V824-L828 HydrophobicContact CG1-CD1 4.12Å; V824-L828 HydrophobicContact CG1-CG 4.44Å; V824-L828 WeakPolarHBondContact O-CG 3.46Å; V824-L828 PolarHBondContact O-N 3.11Å; V824-L906 HydrophobicContact CG1-CD2 4.47Å; V824-I937 HydrophobicContact CG1-CG2 4.01Å; V824-I937 HydrophobicContact CG2-CG2 3.88Å
825	F	88.3	Confident	86.9	Confident	5 Å²	5	29.4 Å²	29.4	2%	0.022	14%	0.14	C	C	.	.	H	α-helix	trans	-55.1	-47.8	175.9	169	-104	0	0	0	111.9	F727 M729 M735 L801 Y821 N822 L827 L828 L829	F727-F825 HydrophobicContact CD1-CB 4.49Å; F727-F825 WeakPolarHBondContact O-CB 3.06Å; M729-F825 HydrophobicContact CG-CD2 4.49Å; M729-F825 HydrophobicContact SD-CD2 4.03Å; M729-F825 HydrophobicContact SD-CE2 3.67Å; M735-F825 HydrophobicContact CE-CE2 3.76Å; M735-F825 HydrophobicContact CE-CZ 4.36Å; L801-F825 HydrophobicContact CB-CE1 4.41Å; Y821-F825 WeakPolarHBondContact O-CB 3.45Å; Y821-F825 PolarHBondContact O-N 3.42Å; N822-F825 PolarHBondContact O-N 3.27Å; F825-L827 PolarHBondContact O-N 2.9Å; F825-L828 PolarHBondContact O-N 3.07Å; F825-L829 HydrophobicContact CE1-CD2 4.16Å; F825-L829 HydrophobicContact CZ-CD2 4.11Å; F825-L829 WeakPolarHBondContact O-CB 3.42Å; F825-L829 PolarHBondContact O-N 3.27Å
826	L	85.8	Confident	87	Confident	37 Å²	37	26 Å²	26	19%	0.194	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-44.8	177.9	-78	170.4	0	0	0	112.4	L796 L799 N822 V824 L828 L829 Q830	L796-L826 WeakPolarHBondContact O-CD2 3.24Å; L799-L826 HydrophobicContact CB-CD2 4.37Å; L799-L826 VanDerWaalsContact O-CD2 3.27Å; L799-L826 WeakPolarHBondContact O-CD2 3.47Å; N822-L826 WeakPolarHBondContact O-CB 3.27Å; N822-L826 WeakPolarHBondContact O-CG 3.27Å; N822-L826 PolarHBondContact O-N 2.97Å; V824-L826 VanDerWaalsContact C-N 3.35Å; V824-L826 PolarHBondContact O-N 3.35Å; L826-L828 PolarHBondContact O-N 3.06Å; L826-L829 PolarHBondContact O-N 3.45Å; L826-Q830 WeakPolarHBondContact O-CG 2.99Å; L826-Q830 PolarHBondContact O-N 3.37Å
827	L	86.1	Confident	86.9	Confident	11 Å²	11	21.5 Å²	21.5	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.3	-179.5	73.7	0	0	0	111.4	Q823 V824 F825 L829 Q830 I831 C941 L943	Q823-L827 PolarHBondContact O-N 3.47Å; V824-L827 PolarHBondContact O-N 3.14Å; F825-L827 PolarHBondContact O-N 2.9Å; L827-L829 VanDerWaalsContact C-N 3.29Å; L827-L829 PolarHBondContact O-N 2.86Å; L827-Q830 PolarHBondContact O-N 3.11Å; L827-I831 HydrophobicContact CG-CD1 4.28Å; L827-I831 WeakPolarHBondContact O-CG1 3.47Å; L827-I831 PolarHBondContact O-N 3.26Å; L827-I831 VanDerWaalsContact O-N 3.11Å; L827-C941 HydrophobicContact CD2-CB 4.1Å; L827-C941 WeakPolarHBondContact CD2-O 3.42Å; L827-L943 HydrophobicContact CB-CD1 4.41Å; L827-L943 HydrophobicContact CD1-CD1 4.49Å; L827-L943 HydrophobicContact CD2-CD1 4.23Å
828	L	87.6	Confident	86.7	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-39.4	178.4	-67.4	172.9	0	0	0	111.5	M729 V824 F825 L826 I831 K832 I901 M902 L906	M729-L828 HydrophobicContact CG-CB 4.38Å; M729-L828 HydrophobicContact CG-CD1 4.34Å; V824-L828 HydrophobicContact CG1-CD1 4.12Å; V824-L828 HydrophobicContact CG1-CG 4.44Å; V824-L828 WeakPolarHBondContact O-CG 3.46Å; V824-L828 PolarHBondContact O-N 3.11Å; F825-L828 PolarHBondContact O-N 3.07Å; L826-L828 PolarHBondContact O-N 3.06Å; L828-I831 PolarHBondContact O-N 2.84Å; L828-K832 WeakPolarHBondContact O-CB 3.47Å; L828-K832 WeakPolarHBondContact O-CG 3.41Å; L828-K832 PolarHBondContact O-N 3.42Å; L828-I901 HydrophobicContact CD2-CG2 3.61Å; L828-M902 HydrophobicContact CD1-CE 4.3Å; L828-M902 HydrophobicContact CD2-CE 3.9Å; L828-L906 HydrophobicContact CD1-CD1 3.73Å; L828-L906 HydrophobicContact CD2-CD1 3.92Å; L828-L906 HydrophobicContact CG-CD1 4.44Å
829	L	87.9	Confident	86.4	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-41.4	178.3	-167.6	63	0	0	0	111.7	M729 F743 L796 L799 F825 L826 L827 I831 K832 W833	M729-L829 HydrophobicContact CE-CD1 4.49Å; F743-L829 HydrophobicContact CE1-CD1 4.24Å; F743-L829 HydrophobicContact CZ-CD1 3.89Å; F743-L829 HydrophobicContact CZ-CG 4.46Å; L796-L829 HydrophobicContact CD2-CD2 3.82Å; L796-L829 HydrophobicContact CD2-CG 4.2Å; L799-L829 HydrophobicContact CD2-CD2 4.43Å; F825-L829 HydrophobicContact CE1-CD2 4.16Å; F825-L829 HydrophobicContact CZ-CD2 4.11Å; F825-L829 WeakPolarHBondContact O-CB 3.42Å; F825-L829 PolarHBondContact O-N 3.27Å; L826-L829 PolarHBondContact O-N 3.45Å; L827-L829 VanDerWaalsContact C-N 3.29Å; L827-L829 PolarHBondContact O-N 2.86Å; L829-I831 PolarHBondContact O-N 3.34Å; L829-K832 PolarHBondContact O-N 3.06Å; L829-W833 WeakPolarHBondContact O-CB 3.28Å; L829-W833 PolarHBondContact O-N 3.49Å
830	Q	85.9	Confident	86.1	Confident	11 Å²	11	20.8 Å²	20.8	5%	0.051	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-42.7	174	-71.4	170	-12.8	0	0	112.3	V793 D797 L826 L827 W833 A834 M955	V793-Q830 HydrophobicContact CG1-CB 4.37Å; V793-Q830 HydrophobicContact CG1-CG 4.25Å; D797-Q830 PolarHBondContact OD1-NE2 2.99Å; L826-Q830 WeakPolarHBondContact O-CG 2.99Å; L826-Q830 PolarHBondContact O-N 3.37Å; L827-Q830 PolarHBondContact O-N 3.11Å; Q830-W833 PolarHBondContact O-N 3.38Å; Q830-A834 PolarHBondContact O-N 3.32Å; Q830-M955 VanDerWaalsContact OE1-CE 3.28Å; Q830-M955 PolarHBondContact OE1-SD 3.01Å; Q830-M955 VanDerWaalsContact OE1-SD 3.37Å
831	I	87.3	Confident	85.4	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-67	-42.3	177.5	-66	173	0	0	0	110.8	L827 L828 L829 W833 A834 K835 V894 L897 H898 I901 L958	L827-I831 HydrophobicContact CG-CD1 4.28Å; L827-I831 WeakPolarHBondContact O-CG1 3.47Å; L827-I831 PolarHBondContact O-N 3.26Å; L827-I831 VanDerWaalsContact O-N 3.11Å; L828-I831 PolarHBondContact O-N 2.84Å; L829-I831 PolarHBondContact O-N 3.34Å; I831-W833 VanDerWaalsContact C-N 3.32Å; I831-W833 PolarHBondContact O-N 3.19Å; I831-A834 PolarHBondContact O-N 3.17Å; I831-K835 WeakPolarHBondContact O-CB 2.96Å; I831-K835 PolarHBondContact O-N 3.29Å; I831-V894 HydrophobicContact CG2-CG1 4.38Å; I831-L897 HydrophobicContact CD1-CD2 4.12Å; I831-L897 HydrophobicContact CD1-CG 4.35Å; I831-L897 HydrophobicContact CG1-CD2 4.48Å; I831-H898 HydrophobicContact CG2-CB 3.97Å; I831-I901 HydrophobicContact CD1-CD1 3.44Å; I831-I901 VanDerWaalsContact CD1-CD1 3.44Å; I831-L958 HydrophobicContact CG1-CD1 3.95Å; I831-L958 HydrophobicContact CG1-CD2 4.45Å
832	K	87	Confident	84.1	Confident	34 Å²	34	25 Å²	25	15%	0.148	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-39	175.3	-77.6	-67.7	-156	-172.3	0	111.7	F743 L828 L829 K835 Y836 H898	F743-K832 HydrophobicContact CE2-CB 4.45Å; L828-K832 WeakPolarHBondContact O-CB 3.47Å; L828-K832 WeakPolarHBondContact O-CG 3.41Å; L828-K832 PolarHBondContact O-N 3.42Å; L829-K832 PolarHBondContact O-N 3.06Å; K832-K835 PolarHBondContact O-N 2.89Å; K832-Y836 VanDerWaalsContact O-CB 3.31Å; K832-Y836 WeakPolarHBondContact O-CB 3.36Å; K832-Y836 PolarHBondContact O-N 2.91Å; K832-H898 WeakPolarHBondContact CE-CE1 3.33Å; K832-H898 PolarHBondContact NZ-CE1 3.36Å; K832-H898 PolarHBondContact NZ-NE2 3.48Å
833	W	85.8	Confident	82.5	Confident	8 Å²	8	30.4 Å²	30.4	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-47.8	176.8	177.9	39.6	0	0	0	112.2	F743 I746 P792 I795 L796 L829 Q830 I831 K835 Y836 S837 L962	F743-W833 HydrophobicContact CD1-CB 4.34Å; F743-W833 AromaticContact CD1-CD1 3.77Å; F743-W833 HydrophobicContact CD1-CG 4.21Å; F743-W833 HydrophobicContact CE1-CB 3.65Å; F743-W833 AromaticContact CE1-CD1 3.97Å; F743-W833 AromaticContact CE1-CG 3.96Å; F743-W833 HydrophobicContact CE1-CG 3.96Å; F743-W833 HydrophobicContact CE2-CB 4.08Å; F743-W833 AromaticContact CG-CD1 3.98Å; F743-W833 VanDerWaalsContact CZ-CA 3.5Å; F743-W833 HydrophobicContact CZ-CB 3.5Å; F743-W833 HydrophobicContact CZ-CG 4.23Å; I746-W833 HydrophobicContact CG2-CZ2 4.41Å; P792-W833 HydrophobicContact CB-CH2 4.18Å; P792-W833 WeakPolarHBondContact O-CH2 3.42Å; P792-W833 WeakPolarHBondContact O-CZ3 3.48Å; I795-W833 HydrophobicContact CB-CH2 4.12Å; I795-W833 HydrophobicContact CB-CZ3 4.35Å; I795-W833 HydrophobicContact CD1-CH2 4.01Å; I795-W833 HydrophobicContact CG1-CH2 4.43Å; L796-W833 HydrophobicContact CD1-CB 3.78Å; L796-W833 HydrophobicContact CD1-CD2 3.6Å; L796-W833 HydrophobicContact CD1-CE3 3.4Å; L796-W833 HydrophobicContact CD1-CG 3.75Å; L796-W833 HydrophobicContact CD1-CZ3 4.08Å; L829-W833 WeakPolarHBondContact O-CB 3.28Å; L829-W833 PolarHBondContact O-N 3.49Å; Q830-W833 PolarHBondContact O-N 3.38Å; I831-W833 VanDerWaalsContact C-N 3.32Å; I831-W833 PolarHBondContact O-N 3.19Å; W833-K835 VanDerWaalsContact C-N 3.28Å; W833-K835 PolarHBondContact O-N 3.04Å; W833-Y836 PolarHBondContact O-N 2.97Å; W833-S837 VanDerWaalsContact O-CB 3.24Å; W833-S837 WeakPolarHBondContact O-CB 3.34Å; W833-S837 PolarHBondContact O-N 2.98Å; W833-L962 HydrophobicContact CD2-CD1 4.08Å; W833-L962 HydrophobicContact CD2-CD2 3.72Å; W833-L962 HydrophobicContact CE3-CD1 3.52Å; W833-L962 HydrophobicContact CE3-CD2 4.06Å; W833-L962 HydrophobicContact CE3-CG 4.44Å; W833-L962 HydrophobicContact CG-CD2 4.27Å; W833-L962 HydrophobicContact CH2-CD1 3.49Å; W833-L962 VanDerWaalsContact CH2-CD1 3.49Å; W833-L962 HydrophobicContact CH2-CD2 4.14Å; W833-L962 HydrophobicContact CH2-CG 4.37Å; W833-L962 HydrophobicContact CZ2-CD1 4.01Å; W833-L962 HydrophobicContact CZ2-CD2 3.76Å; W833-L962 HydrophobicContact CZ2-CG 4.44Å; W833-L962 HydrophobicContact CZ3-CD1 3.27Å; W833-L962 HydrophobicContact CZ3-CD2 4.32Å; W833-L962 HydrophobicContact CZ3-CG 4.41Å
834	A	86.1	Confident	80.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-39.7	175.1	0	0	0	0	0	111.9	Q830 I831 L838 V894 L958 L962	Q830-A834 PolarHBondContact O-N 3.32Å; I831-A834 PolarHBondContact O-N 3.17Å; A834-L838 VanDerWaalsContact O-CG 3.32Å; A834-L838 WeakPolarHBondContact O-CG 3.5Å; A834-L838 PolarHBondContact O-N 3.35Å; A834-V894 HydrophobicContact CB-CG1 4.39Å; A834-L958 HydrophobicContact CB-CB 4.44Å; A834-L958 HydrophobicContact CB-CD2 3.57Å; A834-L962 HydrophobicContact CB-CD2 4.43Å
835	K	86.9	Confident	78.8	Confident	48 Å²	48	32 Å²	32	21%	0.209	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-53.9	175.2	178.1	171.8	173.5	166.8	0	111.6	I831 K832 W833 S837 L838 D839 V894 N895	I831-K835 WeakPolarHBondContact O-CB 2.96Å; I831-K835 PolarHBondContact O-N 3.29Å; K832-K835 PolarHBondContact O-N 2.89Å; W833-K835 VanDerWaalsContact C-N 3.28Å; W833-K835 PolarHBondContact O-N 3.04Å; K835-S837 VanDerWaalsContact C-N 3.33Å; K835-S837 PolarHBondContact O-N 3.48Å; K835-L838 PolarHBondContact O-N 3.47Å; K835-L838 VanDerWaalsContact O-N 3.13Å; K835-D839 WeakPolarHBondContact CE-OD2 3.48Å; K835-D839 WeakPolarHBondContact CG-OD2 3.29Å; K835-D839 WeakPolarHBondContact O-CB 3.43Å; K835-D839 PolarHBondContact O-N 3.19Å; K835-V894 HydrophobicContact CB-CG1 3.89Å; K835-N895 PolarHBondContact NZ-OD1 3.25Å
836	Y	86.8	Confident	77	Confident	30 Å²	30	31.9 Å²	31.9	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-44.8	-179.6	-179.5	-97	0	0	0	111.6	T740 F743 D744 K832 W833 L838 D839 V840	T740-Y836 HydrophobicContact CG2-CD2 4.13Å; T740-Y836 HydrophobicContact CG2-CE2 3.64Å; F743-Y836 HydrophobicContact CB-CD1 3.73Å; F743-Y836 HydrophobicContact CB-CE1 3.73Å; F743-Y836 AromaticContact CD2-CD1 3.64Å; F743-Y836 HydrophobicContact CD2-CD1 3.64Å; F743-Y836 HydrophobicContact CD2-CD2 4.5Å; F743-Y836 HydrophobicContact CD2-CE1 4.33Å; F743-Y836 AromaticContact CD2-CG 3.74Å; F743-Y836 HydrophobicContact CD2-CG 3.74Å; F743-Y836 HydrophobicContact CE2-CG 4.46Å; F743-Y836 HydrophobicContact CG-CD1 4.11Å; D744-Y836 PolarHBondContact OD1-OH 2.96Å; D744-Y836 PolarHBondContact OD2-OH 3.4Å; K832-Y836 VanDerWaalsContact O-CB 3.31Å; K832-Y836 WeakPolarHBondContact O-CB 3.36Å; K832-Y836 PolarHBondContact O-N 2.91Å; W833-Y836 PolarHBondContact O-N 2.97Å; Y836-L838 PolarHBondContact O-N 2.96Å; Y836-D839 PolarHBondContact O-N 3.49Å; Y836-D839 VanDerWaalsContact O-N 3.14Å; Y836-V840 HydrophobicContact CD1-CG2 4.02Å; Y836-V840 HydrophobicContact CD2-CG2 4Å; Y836-V840 HydrophobicContact CE1-CG2 3.63Å; Y836-V840 HydrophobicContact CE2-CG2 3.61Å; Y836-V840 HydrophobicContact CG-CG2 4.18Å; Y836-V840 VanDerWaalsContact CZ-CG2 3.41Å; Y836-V840 VanDerWaalsContact O-CG2 3.31Å; Y836-V840 WeakPolarHBondContact O-CG2 3.4Å; Y836-V840 PolarHBondContact O-N 3.08Å
837	S	81.9	Confident	75.1	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-33.1	178	-167.3	0	0	0	0	112.9	W833 K835 L841 A965	W833-S837 VanDerWaalsContact O-CB 3.24Å; W833-S837 WeakPolarHBondContact O-CB 3.34Å; W833-S837 PolarHBondContact O-N 2.98Å; K835-S837 VanDerWaalsContact C-N 3.33Å; K835-S837 PolarHBondContact O-N 3.48Å; S837-L841 VanDerWaalsContact O-CG 3.26Å; S837-L841 WeakPolarHBondContact O-CG 3.49Å; S837-A965 WeakPolarHBondContact OG-CB 3.48Å
838	L	81.9	Confident	73	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-81.6	-32.4	174.9	-69.9	174.7	0	0	0	113.5	A834 K835 Y836 L841 R887 L890 M891 V894 A961 F964	A834-L838 VanDerWaalsContact O-CG 3.32Å; A834-L838 WeakPolarHBondContact O-CG 3.5Å; A834-L838 PolarHBondContact O-N 3.35Å; K835-L838 PolarHBondContact O-N 3.47Å; K835-L838 VanDerWaalsContact O-N 3.13Å; Y836-L838 PolarHBondContact O-N 2.96Å; L838-L841 HydrophobicContact CD2-CD1 4.31Å; L838-R887 PolarHBondContact O-NE 3.43Å; L838-R887 PolarHBondContact O-NH2 3.29Å; L838-L890 HydrophobicContact CD1-CB 4.03Å; L838-M891 HydrophobicContact CB-CE 4.11Å; L838-M891 HydrophobicContact CD1-CB 4.48Å; L838-M891 VanDerWaalsContact O-CE 3.28Å; L838-M891 WeakPolarHBondContact O-CE 3.43Å; L838-V894 HydrophobicContact CD1-CG2 4.22Å; L838-A961 HydrophobicContact CD1-CB 3.89Å; L838-A961 HydrophobicContact CD2-CB 4.37Å; L838-A961 HydrophobicContact CG-CB 4.28Å; L838-F964 HydrophobicContact CD2-CD1 3.79Å; L838-F964 HydrophobicContact CD2-CE1 4.27Å
839	D	82.4	Confident	71	Confident	75 Å²	75	40.2 Å²	40.2	40%	0.401	22%	0.221	S	C	.	.	H	α-helix	trans	-72.4	-40.2	-178.4	-77.1	-14.7	0	0	0	111.5	K835 Y836 L841 R887 M891	K835-D839 WeakPolarHBondContact CE-OD2 3.48Å; K835-D839 WeakPolarHBondContact CG-OD2 3.29Å; K835-D839 WeakPolarHBondContact O-CB 3.43Å; K835-D839 PolarHBondContact O-N 3.19Å; Y836-D839 PolarHBondContact O-N 3.49Å; Y836-D839 VanDerWaalsContact O-N 3.14Å; D839-L841 VanDerWaalsContact C-N 3.26Å; D839-L841 PolarHBondContact O-N 3.38Å; D839-R887 PolarHBondContact O-NH2 3.17Å; D839-M891 WeakPolarHBondContact OD1-CE 3.33Å
840	V	80.6	Confident	68.9	Low	39 Å²	39	42.8 Å²	42.8	24%	0.236	24%	0.242	C	C	.	.	S	Bend	trans	-70.2	-18.2	-177.8	178.2	0	0	0	0	113.6	Y836 L842	Y836-V840 HydrophobicContact CD1-CG2 4.02Å; Y836-V840 HydrophobicContact CD2-CG2 4Å; Y836-V840 HydrophobicContact CE1-CG2 3.63Å; Y836-V840 HydrophobicContact CE2-CG2 3.61Å; Y836-V840 HydrophobicContact CG-CG2 4.18Å; Y836-V840 VanDerWaalsContact CZ-CG2 3.41Å; Y836-V840 VanDerWaalsContact O-CG2 3.31Å; Y836-V840 WeakPolarHBondContact O-CG2 3.4Å; Y836-V840 PolarHBondContact O-N 3.08Å; V840-L842 PolarHBondContact O-N 2.94Å
841	L	72.6	Confident	66.9	Low	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.272	C	S	.	.			trans	-62.7	110.6	178.2	-53.9	172.3	0	0	0	110.6	S837 L838 D839 R887 F964 A965 W968	S837-L841 VanDerWaalsContact O-CG 3.26Å; S837-L841 WeakPolarHBondContact O-CG 3.49Å; L838-L841 HydrophobicContact CD2-CD1 4.31Å; D839-L841 VanDerWaalsContact C-N 3.26Å; D839-L841 PolarHBondContact O-N 3.38Å; L841-R887 PolarHBondContact O-NH1 3.44Å; L841-R887 PolarHBondContact O-NH2 3.36Å; L841-F964 HydrophobicContact CD1-CD1 4.34Å; L841-F964 HydrophobicContact CD1-CE1 4.06Å; L841-A965 HydrophobicContact CD1-CB 4.18Å; L841-A965 HydrophobicContact CD2-CB 4.29Å; L841-W968 HydrophobicContact CD1-CB 4.46Å; L841-W968 HydrophobicContact CD1-CD2 4.48Å; L841-W968 HydrophobicContact CD1-CG 4.3Å; L841-W968 HydrophobicContact CD2-CB 4.11Å; L841-W968 HydrophobicContact CD2-CG 3.97Å
842	L	63.6	Low	64.7	Low	108 Å²	108	57.7 Å²	57.7	57%	0.565	31%	0.309	S	S	*	.			trans	-83.8	141.5	-179.5	-78.7	143.2	0	0	0	111.5	V840 G844 E845	V840-L842 PolarHBondContact O-N 2.94Å; L842-G844 PolarHBondContact O-N 3.45Å; L842-E845 HydrophobicContact CB-CG 4.22Å
843	F	54.1	Low	62.4	Low	126 Å²	126	61.2 Å²	61.2	55%	0.553	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-24.6	176.6	-71.3	-91.3	0	0	0	113.1	F884 R887	F843-F884 HydrophobicContact CB-CE1 4.38Å; F843-F884 HydrophobicContact CB-CZ 4.42Å; F843-F884 AromaticContact CD1-CD1 3.64Å; F843-F884 HydrophobicContact CD1-CD1 3.64Å; F843-F884 AromaticContact CD1-CE1 3.11Å; F843-F884 HydrophobicContact CD1-CE1 3.11Å; F843-F884 HydrophobicContact CD1-CE2 4.41Å; F843-F884 AromaticContact CD1-CZ 3.58Å; F843-F884 HydrophobicContact CD1-CZ 3.58Å; F843-F884 AromaticContact CE1-CD1 3.54Å; F843-F884 HydrophobicContact CE1-CD1 3.54Å; F843-F884 AromaticContact CE1-CE1 3.56Å; F843-F884 HydrophobicContact CE1-CE1 3.56Å; F843-F884 HydrophobicContact CE1-CG 4.35Å; F843-F884 HydrophobicContact CE1-CZ 4.32Å; F843-F884 HydrophobicContact CG-CE1 4.01Å; F843-F884 HydrophobicContact CG-CZ 4.42Å; F843-R887 VanDerWaalsContact CZ-NH1 3.3Å
844	G	46.3	Very low	60.2	Low	38 Å²	38	72.9 Å²	72.9	39%	0.392	38%	0.379	S	S	.	.	H	α-helix	trans	-80.1	-28.1	-175.5	0	0	0	0	0	115.3	L842 L846 V847 S848	L842-G844 PolarHBondContact O-N 3.45Å; G844-L846 VanDerWaalsContact C-N 3.33Å; G844-L846 PolarHBondContact O-N 2.87Å; G844-V847 PolarHBondContact O-N 3.15Å; G844-V847 VanDerWaalsContact O-N 3.1Å; G844-S848 PolarHBondContact O-N 3.05Å; G844-S848 PolarHBondContact O-OG 3.14Å
845	E	50.8	Low	57.8	Low	90 Å²	90	80.8 Å²	80.8	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-66	-32.3	-172.5	-70.3	178.8	155.8	0	0	113.4	L842 T849	L842-E845 HydrophobicContact CB-CG 4.22Å; E845-T849 WeakPolarHBondContact O-CG2 3.39Å; E845-T849 PolarHBondContact O-N 3.4Å; E845-T849 PolarHBondContact O-OG1 2.97Å
846	L	49.6	Very low	55.3	Low	2 Å²	2	87.3 Å²	87.3	1%	0.01	45%	0.449	C	S	.	.	H	α-helix	trans	-72.5	-34.3	173.6	-74.5	177.4	0	0	0	112.8	G844 T849 A850 F884 W968 L972	G844-L846 VanDerWaalsContact C-N 3.33Å; G844-L846 PolarHBondContact O-N 2.87Å; L846-T849 PolarHBondContact O-OG1 2.88Å; L846-A850 WeakPolarHBondContact O-CB 3.43Å; L846-A850 PolarHBondContact O-N 2.98Å; L846-F884 HydrophobicContact CD1-CZ 4.32Å; L846-W968 HydrophobicContact CD1-CD2 4.14Å; L846-W968 HydrophobicContact CD1-CE3 4.18Å; L846-W968 HydrophobicContact CD1-CH2 3.1Å; L846-W968 HydrophobicContact CD1-CZ2 3.03Å; L846-W968 HydrophobicContact CD1-CZ3 3.71Å; L846-W968 HydrophobicContact CG-CD2 4.38Å; L846-W968 HydrophobicContact CG-CH2 4.15Å; L846-W968 HydrophobicContact CG-CZ2 3.6Å; L846-L972 HydrophobicContact CB-CD1 4.34Å; L846-L972 HydrophobicContact CD2-CD1 4.15Å; L846-L972 HydrophobicContact CD2-CD2 3.79Å; L846-L972 HydrophobicContact CD2-CG 3.57Å; L846-L972 VanDerWaalsContact O-CD1 3.28Å; L846-L972 WeakPolarHBondContact O-CD1 3.49Å
847	V	45.1	Very low	52.8	Low	68 Å²	68	94.3 Å²	94.3	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-76.6	-40.9	-177.3	-178.8	0	0	0	0	110	G844 T849 A850 E851	G844-V847 PolarHBondContact O-N 3.15Å; G844-V847 VanDerWaalsContact O-N 3.1Å; V847-T849 PolarHBondContact O-N 3.27Å; V847-A850 PolarHBondContact O-N 3.35Å; V847-E851 WeakPolarHBondContact O-CG 3.34Å; V847-E851 PolarHBondContact O-N 2.78Å
848	S	43	Very low	50.3	Low	73 Å²	73	97.8 Å²	97.8	51%	0.51	52%	0.52	S	S	.	.	H	α-helix	trans	-70.3	-27.1	178.2	-49.1	0	0	0	0	114	G844	G844-S848 PolarHBondContact O-N 3.05Å; G844-S848 PolarHBondContact O-OG 3.14Å
849	T	44.9	Very low	48.1	Very low	82 Å²	82	105.4 Å²	105.4	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-82.4	-25.7	174.7	47.7	0	0	0	0	112.9	E845 L846 V847 E851	E845-T849 WeakPolarHBondContact O-CG2 3.39Å; E845-T849 PolarHBondContact O-N 3.4Å; E845-T849 PolarHBondContact O-OG1 2.97Å; L846-T849 PolarHBondContact O-OG1 2.88Å; V847-T849 PolarHBondContact O-N 3.27Å; T849-E851 VanDerWaalsContact C-N 3.33Å
850	A	44.1	Very low	45.7	Very low	56 Å²	56	108.8 Å²	108.8	46%	0.463	58%	0.576	S	S	.	*	H	α-helix	trans	-72.3	-24.3	169.9	0	0	0	0	0	113.1	L846 V847 L972	L846-A850 WeakPolarHBondContact O-CB 3.43Å; L846-A850 PolarHBondContact O-N 2.98Å; V847-A850 PolarHBondContact O-N 3.35Å; A850-L972 HydrophobicContact CB-CD1 3.99Å
851	E	43.8	Very low	43.2	Very low	145 Å²	145	114.7 Å²	114.7	68%	0.678	60%	0.601	S	S	*	*	S	Bend	trans	-93.6	-0.6	-176.1	-75.1	-176.1	169.8	0	0	115.7	V847 T849 P853	V847-E851 WeakPolarHBondContact O-CG 3.34Å; V847-E851 PolarHBondContact O-N 2.78Å; T849-E851 VanDerWaalsContact C-N 3.33Å; E851-P853 VanDerWaalsContact C-CD 3.43Å; E851-P853 WeakPolarHBondContact O-CD 3.43Å
852	K	40.8	Very low	41	Very low	181 Å²	181	121.1 Å²	121.1	79%	0.787	63%	0.631	S	S	*	*			trans	-97.8	86.8	171.3	-77.7	-176.3	179.2	176.1	0	111.8
853	P	40.2	Very low	39.3	Very low	108 Å²	108	123 Å²	123	70%	0.701	64%	0.637	S	S	*	*			trans	-74.2	143.4	161.4	33.1	-31.8	0	0	0	109.6	E851 L855	E851-P853 VanDerWaalsContact C-CD 3.43Å; E851-P853 WeakPolarHBondContact O-CD 3.43Å; P853-L855 PolarHBondContact O-N 3.16Å
854	R	39.7	Very low	38	Very low	252 Å²	252	123.4 Å²	123.4	95%	0.951	64%	0.644	S	S	*	*			trans	-44.8	121.2	179.4	-60.4	171.7	177.3	-176.3	-2.6	112.3
855	L	34.4	Very low	37.1	Very low	167 Å²	167	127.9 Å²	127.9	87%	0.874	66%	0.664	S	S	*	*			trans	-112.2	137.9	163	-88.4	165.5	0	0	0	109.4	P853	P853-L855 PolarHBondContact O-N 3.16Å
856	K	34.7	Very low	36	Very low	184 Å²	184	130.2 Å²	130.2	80%	0.8	68%	0.684	S	S	*	*			trans	95.2	124.3	179.3	-60.3	-174.1	174.6	-172.9	0	115.3
857	E	34.4	Very low	35.4	Very low	178 Å²	178	134.1 Å²	134.1	83%	0.832	72%	0.717	S	S	*	*			cis	-177.1	150	-7.6	-127.4	158.2	-178.1	0	0	107.5
858	G	29.1	Very low	34.6	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	74%	0.741	S	S	*	*			trans	146.6	105.1	164	0	0	0	0	0	115.8
859	L	35.3	Very low	34.2	Very low	161 Å²	161	147.3 Å²	147.3	84%	0.843	76%	0.763	S	S	*	*			trans	-76.8	153	-172.9	-69.7	80.9	0	0	0	115.7
860	I	31.9	Very low	33.5	Very low	145 Å²	145	146.5 Å²	146.5	74%	0.744	77%	0.771	S	S	*	*				159.7	132.1	112.2	-76	172.7	0	0	0	112
861	H	28.6	Very low	33.4	Very low	164 Å²	164	149.1 Å²	149.1	76%	0.759	78%	0.783	S	S	*	*			trans	68.3	147.9	160.9	-79.4	-5.9	0	0	0	121.5
862	E	26.6	Very low	33.3	Very low	139 Å²	139	150.1 Å²	150.1	65%	0.65	79%	0.788	S	S	*	*			cis	-172.8	144	-40	-128.5	-174.1	-145.2	0	0	105.7
863	Q	27.8	Very low	33.6	Very low	148 Å²	148	150.2 Å²	150.2	69%	0.692	79%	0.788	S	S	*	*			trans	78.1	117.6	154.2	-63.7	176.1	17.2	0	0	122.4
864	D	26.5	Very low	33.9	Very low	134 Å²	134	151.6 Å²	151.6	72%	0.717	79%	0.785	S	S	*	*			trans	69.3	105.5	130.7	-64.1	-8.8	0	0	0	121.9
865	T	28.3	Very low	34.8	Very low	132 Å²	132	141.7 Å²	141.7	81%	0.81	75%	0.754	S	S	*	*				160.4	122.8	99.8	33.4	0	0	0	0	113.2
866	V	28.2	Very low	36	Very low	138 Å²	138	136.9 Å²	136.9	84%	0.836	73%	0.731	S	S	*	*			trans	41.8	116.6	139.7	-170.4	0	0	0	0	121.1
867	A	36.2	Very low	37.4	Very low	84 Å²	84	137.7 Å²	137.7	69%	0.694	73%	0.729	S	S	*	*			trans	75.2	95.4	145.1	0	0	0	0	0	120.7
868	Q	29	Very low	39	Very low	198 Å²	198	134.5 Å²	134.5	93%	0.925	71%	0.714	S	S	*	*				-157.9	98.2	128.4	-106.4	165.6	25.5	0	0	109.5	G870	Q868-G870 PolarHBondContact O-N 2.92Å
869	F	33.1	Very low	40.9	Very low	220 Å²	220	132.8 Å²	132.8	97%	0.965	69%	0.685	S	S	*	*			trans	-67.3	109.3	164.2	-97.1	-93.7	0	0	0	108.1
870	G	30.4	Very low	42.7	Very low	65 Å²	65	126.3 Å²	126.3	67%	0.67	65%	0.651	S	S	*	*			trans	-83.9	157.2	172.4	0	0	0	0	0	113	Q868	Q868-G870 PolarHBondContact O-N 2.92Å
871	P	43.6	Very low	44.8	Very low	111 Å²	111	125.4 Å²	125.4	72%	0.721	64%	0.644	S	S	*	*			trans	-108.9	100.1	160.1	34.1	-20.4	0	0	0	109.5
872	Q	41.5	Very low	47.1	Very low	166 Å²	166	121.1 Å²	121.1	78%	0.776	62%	0.621	S	S	*	*			trans	-143.9	63.9	170.6	-72.6	-62.1	-8.5	0	0	111.5
873	K	46.6	Very low	49.4	Very low	184 Å²	184	114.7 Å²	114.7	80%	0.8	59%	0.591	S	S	*	*			trans	-122.9	3.5	166.8	-87.5	-173.6	177.3	-179.5	0	113.3
874	E	45.9	Very low	51.8	Low	137 Å²	137	109.6 Å²	109.6	64%	0.64	57%	0.567	S	S	*	*	H	α-helix	trans	-78.1	-34.2	-177.9	-66.8	-173.9	156.1	0	0	116.2	V876 R877 Q878	E874-V876 PolarHBondContact O-N 3.3Å; E874-R877 PolarHBondContact O-N 2.94Å; E874-Q878 WeakPolarHBondContact O-CG 3.41Å; E874-Q878 PolarHBondContact O-N 2.83Å
875	P	58.6	Low	54.5	Low	44 Å²	44	106.3 Å²	106.3	29%	0.286	55%	0.548	S	S	.	.	H	α-helix	trans	-69.5	-34.1	-173.1	24.6	-31.7	0	0	0	112.9	Q878 Q879	P875-Q878 PolarHBondContact O-N 2.87Å; P875-Q879 WeakPolarHBondContact O-CB 3.28Å; P875-Q879 WeakPolarHBondContact O-CG 3.33Å; P875-Q879 PolarHBondContact O-N 2.76Å; P875-Q879 PolarHBondContact O-OE1 3.48Å
876	V	60.5	Low	57	Low	66 Å²	66	100 Å²	100	40%	0.4	51%	0.51	S	S	.	.	H	α-helix	trans	-69.7	-38.6	-178.7	-176.8	0	0	0	0	111.6	E874 Q879 I880	E874-V876 PolarHBondContact O-N 3.3Å; V876-Q879 PolarHBondContact O-N 3.28Å; V876-I880 HydrophobicContact CG1-CD1 3.88Å; V876-I880 WeakPolarHBondContact O-CD1 3.47Å; V876-I880 WeakPolarHBondContact O-CG1 3.37Å; V876-I880 PolarHBondContact O-N 2.86Å
877	R	63.8	Low	59.7	Low	201 Å²	201	94.4 Å²	94.4	76%	0.758	47%	0.474	S	S	*	.	H	α-helix	trans	-67.9	-39.8	176.4	-75.1	-175.6	173.2	-175.6	-2.4	112	E874 H881	E874-R877 PolarHBondContact O-N 2.94Å; R877-H881 WeakPolarHBondContact O-CB 3.33Å; R877-H881 PolarHBondContact O-N 3.46Å
878	Q	67.9	Low	61.9	Low	110 Å²	110	94.4 Å²	94.4	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-66.4	-40	176.2	-69.8	175.5	-1.6	0	0	111.8	E874 P875 H881 R882	E874-Q878 WeakPolarHBondContact O-CG 3.41Å; E874-Q878 PolarHBondContact O-N 2.83Å; P875-Q878 PolarHBondContact O-N 2.87Å; Q878-H881 PolarHBondContact O-N 2.95Å; Q878-R882 WeakPolarHBondContact O-CG 3.36Å; Q878-R882 PolarHBondContact O-N 3.43Å
879	Q	69.1	Low	64.5	Low	41 Å²	41	87.4 Å²	87.4	19%	0.192	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-49.7	174.7	-73.7	158.6	-3.4	0	0	111.5	P875 V876 H881 R882 M883 M977	P875-Q879 WeakPolarHBondContact O-CB 3.28Å; P875-Q879 WeakPolarHBondContact O-CG 3.33Å; P875-Q879 PolarHBondContact O-N 2.76Å; P875-Q879 PolarHBondContact O-OE1 3.48Å; V876-Q879 PolarHBondContact O-N 3.28Å; Q879-H881 VanDerWaalsContact C-N 3.34Å; Q879-H881 PolarHBondContact O-N 3.33Å; Q879-R882 PolarHBondContact O-N 3.39Å; Q879-M883 VanDerWaalsContact O-CG 3.28Å; Q879-M883 WeakPolarHBondContact O-CG 3.47Å; Q879-M883 PolarHBondContact O-N 3.11Å; Q879-M977 HydrophobicContact CG-SD 3.58Å; Q879-M977 VanDerWaalsContact CG-SD 3.58Å
880	I	72.1	Confident	66.9	Low	26 Å²	26	77 Å²	77	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-44.4	178.2	-68.6	164.7	0	0	0	110.9	V876 M883 F884 L972	V876-I880 HydrophobicContact CG1-CD1 3.88Å; V876-I880 WeakPolarHBondContact O-CD1 3.47Å; V876-I880 WeakPolarHBondContact O-CG1 3.37Å; V876-I880 PolarHBondContact O-N 2.86Å; I880-M883 PolarHBondContact O-N 3.38Å; I880-F884 HydrophobicContact CG2-CD2 3.74Å; I880-F884 HydrophobicContact CG2-CE2 3.25Å; I880-F884 HydrophobicContact CG2-CZ 4.12Å; I880-F884 WeakPolarHBondContact O-CD2 3.29Å; I880-F884 PolarHBondContact O-N 3.34Å; I880-L972 HydrophobicContact CD1-CD1 4.08Å; I880-L972 HydrophobicContact CG1-CD1 4.22Å; I880-L972 HydrophobicContact CG1-CD2 3.92Å
881	H	77.3	Confident	69.6	Low	126 Å²	126	76.2 Å²	76.2	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-63.4	-43.5	178.4	-177.5	67.9	0	0	0	113	R877 Q878 Q879 F884 L885	R877-H881 WeakPolarHBondContact O-CB 3.33Å; R877-H881 PolarHBondContact O-N 3.46Å; Q878-H881 PolarHBondContact O-N 2.95Å; Q879-H881 VanDerWaalsContact C-N 3.34Å; Q879-H881 PolarHBondContact O-N 3.33Å; H881-F884 PolarHBondContact O-N 2.9Å; H881-L885 PolarHBondContact O-N 3Å
882	R	75.8	Confident	71.5	Confident	74 Å²	74	74.8 Å²	74.8	28%	0.279	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-39.1	176.5	-73.2	-178.3	80.9	171.5	7	112.2	Q878 Q879 F884 L885 L886 E981 E984	Q878-R882 WeakPolarHBondContact O-CG 3.36Å; Q878-R882 PolarHBondContact O-N 3.43Å; Q879-R882 PolarHBondContact O-N 3.39Å; R882-F884 VanDerWaalsContact C-N 3.34Å; R882-F884 PolarHBondContact O-N 3.5Å; R882-L885 PolarHBondContact O-N 2.95Å; R882-L886 WeakPolarHBondContact O-CB 3.37Å; R882-L886 PolarHBondContact O-N 3.48Å; R882-E981 IonicContact CZ-OE1 2.99Å; R882-E981 IonicContact NH1-OE1 3.48Å; R882-E981 PolarHBondContact NH1-OE1 3.09Å; R882-E981 IonicContact NH2-OE1 3.24Å; R882-E984 IonicContact CZ-OE2 2.59Å; R882-E984 IonicContact NE-OE1 2.9Å; R882-E984 IonicContact NE-OE2 2.8Å; R882-E984 IonicContact NH2-OE2 3.46Å; R882-E984 PolarHBondContact NH2-OE2 2.86Å
883	M	75	Confident	73.6	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-39.3	175	-67.3	178.8	72.9	0	0	111.8	Q879 I880 L886 R887 F964 W968 L972 I980	Q879-M883 VanDerWaalsContact O-CG 3.28Å; Q879-M883 WeakPolarHBondContact O-CG 3.47Å; Q879-M883 PolarHBondContact O-N 3.11Å; I880-M883 PolarHBondContact O-N 3.38Å; M883-L886 PolarHBondContact O-N 2.85Å; M883-R887 PolarHBondContact O-N 3.44Å; M883-F964 HydrophobicContact CB-CE2 4.46Å; M883-F964 WeakPolarHBondContact O-CZ 3.47Å; M883-W968 HydrophobicContact CB-CE3 4.4Å; M883-W968 HydrophobicContact CB-CZ3 3.69Å; M883-W968 HydrophobicContact CE-CD2 4.42Å; M883-W968 HydrophobicContact CE-CE3 3.61Å; M883-W968 HydrophobicContact CE-CZ3 4.01Å; M883-L972 HydrophobicContact SD-CD2 4.36Å; M883-I980 HydrophobicContact CG-CD1 3.62Å; M883-I980 HydrophobicContact CG-CG1 4.27Å; M883-I980 HydrophobicContact SD-CD1 3.85Å
884	F	79.7	Confident	75.5	Confident	42 Å²	42	58.2 Å²	58.2	18%	0.184	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-43.2	172.3	-73.9	-52.5	0	0	0	112.6	F843 L846 I880 H881 R882 L886 R887 V888 W968	F843-F884 HydrophobicContact CB-CE1 4.38Å; F843-F884 HydrophobicContact CB-CZ 4.42Å; F843-F884 AromaticContact CD1-CD1 3.64Å; F843-F884 HydrophobicContact CD1-CD1 3.64Å; F843-F884 AromaticContact CD1-CE1 3.11Å; F843-F884 HydrophobicContact CD1-CE1 3.11Å; F843-F884 HydrophobicContact CD1-CE2 4.41Å; F843-F884 AromaticContact CD1-CZ 3.58Å; F843-F884 HydrophobicContact CD1-CZ 3.58Å; F843-F884 AromaticContact CE1-CD1 3.54Å; F843-F884 HydrophobicContact CE1-CD1 3.54Å; F843-F884 AromaticContact CE1-CE1 3.56Å; F843-F884 HydrophobicContact CE1-CE1 3.56Å; F843-F884 HydrophobicContact CE1-CG 4.35Å; F843-F884 HydrophobicContact CE1-CZ 4.32Å; F843-F884 HydrophobicContact CG-CE1 4.01Å; F843-F884 HydrophobicContact CG-CZ 4.42Å; L846-F884 HydrophobicContact CD1-CZ 4.32Å; I880-F884 HydrophobicContact CG2-CD2 3.74Å; I880-F884 HydrophobicContact CG2-CE2 3.25Å; I880-F884 HydrophobicContact CG2-CZ 4.12Å; I880-F884 WeakPolarHBondContact O-CD2 3.29Å; I880-F884 PolarHBondContact O-N 3.34Å; H881-F884 PolarHBondContact O-N 2.9Å; R882-F884 VanDerWaalsContact C-N 3.34Å; R882-F884 PolarHBondContact O-N 3.5Å; F884-L886 VanDerWaalsContact C-N 3.33Å; F884-L886 PolarHBondContact O-N 2.91Å; F884-R887 WeakPolarHBondContact O-CB 3.4Å; F884-R887 PolarHBondContact O-N 3.43Å; F884-V888 WeakPolarHBondContact O-CG2 3.45Å; F884-V888 PolarHBondContact O-N 2.91Å; F884-W968 AromaticContact CD1-CH2 3.69Å; F884-W968 HydrophobicContact CD1-CH2 3.69Å; F884-W968 HydrophobicContact CD1-CZ2 4.44Å; F884-W968 AromaticContact CE1-CH2 3.49Å; F884-W968 HydrophobicContact CE1-CH2 3.49Å; F884-W968 VanDerWaalsContact CE1-CH2 3.49Å; F884-W968 AromaticContact CE1-CZ2 3.84Å; F884-W968 HydrophobicContact CE1-CZ2 3.84Å; F884-W968 HydrophobicContact CZ-CH2 4.24Å; F884-W968 HydrophobicContact CZ-CZ2 4.49Å
885	L	81.9	Confident	77.5	Confident	64 Å²	64	54.3 Å²	54.3	34%	0.335	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-41.8	177	-172.8	67.4	0	0	0	111.6	H881 R882 V888 K889 L1024	H881-L885 PolarHBondContact O-N 3Å; R882-L885 PolarHBondContact O-N 2.95Å; L885-V888 PolarHBondContact O-N 3.25Å; L885-K889 HydrophobicContact CG-CD 4.45Å; L885-K889 VanDerWaalsContact O-CG 3.31Å; L885-K889 WeakPolarHBondContact O-CG 3.46Å; L885-K889 PolarHBondContact O-N 3.03Å; L885-L1024 HydrophobicContact CD1-CD2 4.16Å
886	L	81.3	Confident	78.8	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-39.8	176.3	-177	58.1	0	0	0	112.1	R882 M883 F884 K889 L890 F964 M983 E984	R882-L886 WeakPolarHBondContact O-CB 3.37Å; R882-L886 PolarHBondContact O-N 3.48Å; M883-L886 PolarHBondContact O-N 2.85Å; F884-L886 VanDerWaalsContact C-N 3.33Å; F884-L886 PolarHBondContact O-N 2.91Å; L886-K889 WeakPolarHBondContact O-CB 3.43Å; L886-K889 PolarHBondContact O-N 2.99Å; L886-L890 HydrophobicContact CD1-CD1 4.12Å; L886-L890 HydrophobicContact CD1-CG 4.27Å; L886-L890 HydrophobicContact CG-CD1 3.98Å; L886-L890 WeakPolarHBondContact O-CG 3.23Å; L886-L890 PolarHBondContact O-N 2.98Å; L886-F964 HydrophobicContact CB-CE2 4.43Å; L886-F964 HydrophobicContact CD2-CD2 3.97Å; L886-F964 HydrophobicContact CD2-CE2 4.02Å; L886-F964 HydrophobicContact CG-CD2 4.42Å; L886-F964 HydrophobicContact CG-CE2 4.28Å; L886-M983 HydrophobicContact CD2-CB 4.44Å; L886-M983 HydrophobicContact CD2-CE 3.81Å; L886-M983 HydrophobicContact CD2-CG 4.22Å; L886-E984 HydrophobicContact CD1-CG 4.05Å; L886-E984 HydrophobicContact CD2-CG 4.13Å; L886-E984 HydrophobicContact CG-CG 4.49Å
887	R	83.6	Confident	80	Confident	19 Å²	19	49.9 Å²	49.9	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-49.7	173.3	-177.2	-176.9	174.6	-141.5	3.3	111.3	L838 D839 L841 F843 M883 F884 K889 L890 M891 F964	L838-R887 PolarHBondContact O-NE 3.43Å; L838-R887 PolarHBondContact O-NH2 3.29Å; D839-R887 PolarHBondContact O-NH2 3.17Å; L841-R887 PolarHBondContact O-NH1 3.44Å; L841-R887 PolarHBondContact O-NH2 3.36Å; F843-R887 VanDerWaalsContact CZ-NH1 3.3Å; M883-R887 PolarHBondContact O-N 3.44Å; F884-R887 WeakPolarHBondContact O-CB 3.4Å; F884-R887 PolarHBondContact O-N 3.43Å; R887-K889 VanDerWaalsContact C-N 3.3Å; R887-K889 PolarHBondContact O-N 3.04Å; R887-L890 PolarHBondContact O-N 2.98Å; R887-M891 HydrophobicContact CG-CE 4.46Å; R887-M891 WeakPolarHBondContact O-CB 3.36Å; R887-M891 PolarHBondContact O-N 3.28Å; R887-F964 HydrophobicContact CB-CE1 3.72Å; R887-F964 HydrophobicContact CB-CZ 3.83Å; R887-F964 HydrophobicContact CG-CE1 4.09Å
888	V	83.8	Confident	81.1	Confident	85 Å²	85	40.9 Å²	40.9	52%	0.515	20%	0.197	S	C	.	.	H	α-helix	trans	-61.7	-40.3	179.8	175.2	0	0	0	0	110.8	F884 L885 H892	F884-V888 WeakPolarHBondContact O-CG2 3.45Å; F884-V888 PolarHBondContact O-N 2.91Å; L885-V888 PolarHBondContact O-N 3.25Å; V888-H892 VanDerWaalsContact O-CB 3.27Å; V888-H892 WeakPolarHBondContact O-CB 3.44Å; V888-H892 PolarHBondContact O-N 2.85Å
889	K	82.8	Confident	81.9	Confident	50 Å²	50	38.9 Å²	38.9	22%	0.217	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-49.8	175.4	-76.4	172	178.6	176.6	0	112.7	L885 L886 R887 F893 F987 L1024	L885-K889 HydrophobicContact CG-CD 4.45Å; L885-K889 VanDerWaalsContact O-CG 3.31Å; L885-K889 WeakPolarHBondContact O-CG 3.46Å; L885-K889 PolarHBondContact O-N 3.03Å; L886-K889 WeakPolarHBondContact O-CB 3.43Å; L886-K889 PolarHBondContact O-N 2.99Å; R887-K889 VanDerWaalsContact C-N 3.3Å; R887-K889 PolarHBondContact O-N 3.04Å; K889-F893 PolarHBondContact O-N 2.88Å; K889-F893 VanDerWaalsContact O-N 3.11Å; K889-F987 HydrophobicContact CB-CE1 4.02Å; K889-F987 HydrophobicContact CB-CZ 4.43Å; K889-L1024 HydrophobicContact CD-CD1 4.32Å; K889-L1024 HydrophobicContact CG-CD1 3.67Å; K889-L1024 HydrophobicContact CG-CD2 4.3Å
890	L	84.5	Confident	82.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-43.7	179.4	-74.1	165.8	0	0	0	111.6	L838 L886 R887 F893 V894 V957 A961 F964 F987	L838-L890 HydrophobicContact CD1-CB 4.03Å; L886-L890 HydrophobicContact CD1-CD1 4.12Å; L886-L890 HydrophobicContact CD1-CG 4.27Å; L886-L890 HydrophobicContact CG-CD1 3.98Å; L886-L890 WeakPolarHBondContact O-CG 3.23Å; L886-L890 PolarHBondContact O-N 2.98Å; R887-L890 PolarHBondContact O-N 2.98Å; L890-F893 PolarHBondContact O-N 2.62Å; L890-V894 WeakPolarHBondContact O-CG2 3.34Å; L890-V894 PolarHBondContact O-N 3.37Å; L890-V957 HydrophobicContact CD2-CG1 4.42Å; L890-A961 HydrophobicContact CD2-CB 4.38Å; L890-F964 HydrophobicContact CD1-CB 4.08Å; L890-F964 HydrophobicContact CD1-CD1 4.15Å; L890-F964 HydrophobicContact CD1-CG 4.03Å; L890-F987 HydrophobicContact CD2-CD2 3.53Å; L890-F987 HydrophobicContact CD2-CE2 3.74Å; L890-F987 HydrophobicContact CD2-CG 4.28Å; L890-F987 HydrophobicContact CG-CD2 4.48Å
891	M	85.4	Confident	83.3	Confident	48 Å²	48	36.2 Å²	36.2	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-44.9	178.3	-178	177.1	-73.8	0	0	111.6	L838 D839 R887 F893 V894 N895	L838-M891 HydrophobicContact CB-CE 4.11Å; L838-M891 HydrophobicContact CD1-CB 4.48Å; L838-M891 VanDerWaalsContact O-CE 3.28Å; L838-M891 WeakPolarHBondContact O-CE 3.43Å; D839-M891 WeakPolarHBondContact OD1-CE 3.33Å; R887-M891 HydrophobicContact CG-CE 4.46Å; R887-M891 WeakPolarHBondContact O-CB 3.36Å; R887-M891 PolarHBondContact O-N 3.28Å; M891-F893 PolarHBondContact O-N 3.42Å; M891-V894 PolarHBondContact O-N 3.45Å; M891-N895 WeakPolarHBondContact O-CB 3.28Å; M891-N895 PolarHBondContact O-N 2.93Å
892	H	84.2	Confident	83.7	Confident	81 Å²	81	31.7 Å²	31.7	38%	0.375	16%	0.157	S	C	.	.	H	α-helix	trans	-61.2	-44.7	175.7	-178.3	92.4	0	0	0	111.4	V888 N895 S896 I1020	V888-H892 VanDerWaalsContact O-CB 3.27Å; V888-H892 WeakPolarHBondContact O-CB 3.44Å; V888-H892 PolarHBondContact O-N 2.85Å; H892-N895 PolarHBondContact O-N 3.4Å; H892-S896 PolarHBondContact NE2-OG 2.79Å; H892-S896 VanDerWaalsContact O-CB 3.25Å; H892-S896 WeakPolarHBondContact O-CB 3.48Å; H892-S896 PolarHBondContact O-N 2.95Å; H892-S896 PolarHBondContact O-OG 2.76Å; H892-I1020 VanDerWaalsContact CD2-CG1 3.42Å; H892-I1020 WeakPolarHBondContact CD2-CG1 3.46Å
893	F	85.8	Confident	84.1	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-51.7	176.4	175.2	-91.9	0	0	0	112.2	K889 L890 M891 N895 S896 L897 V957 F987 L994 L1017 I1020	K889-F893 PolarHBondContact O-N 2.88Å; K889-F893 VanDerWaalsContact O-N 3.11Å; L890-F893 PolarHBondContact O-N 2.62Å; M891-F893 PolarHBondContact O-N 3.42Å; F893-N895 PolarHBondContact O-N 2.87Å; F893-S896 PolarHBondContact O-N 2.96Å; F893-L897 HydrophobicContact CE1-CD2 4.41Å; F893-L897 WeakPolarHBondContact O-CB 3.46Å; F893-L897 PolarHBondContact O-N 3.42Å; F893-V957 HydrophobicContact CD1-CB 4.37Å; F893-V957 HydrophobicContact CD1-CG1 3.4Å; F893-V957 VanDerWaalsContact CD1-CG1 3.4Å; F893-V957 HydrophobicContact CE1-CB 3.76Å; F893-V957 HydrophobicContact CE1-CG1 3.29Å; F893-V957 HydrophobicContact CE1-CG2 4.43Å; F893-V957 HydrophobicContact CG-CG1 4.17Å; F893-V957 HydrophobicContact CZ-CB 4.17Å; F893-V957 HydrophobicContact CZ-CG1 3.96Å; F893-V957 HydrophobicContact CZ-CG2 4.37Å; F893-F987 HydrophobicContact CB-CE2 4.22Å; F893-F987 HydrophobicContact CB-CZ 4.22Å; F893-F987 HydrophobicContact CG-CE2 4.31Å; F893-L994 HydrophobicContact CE2-CD2 3.68Å; F893-L994 HydrophobicContact CZ-CD2 3.85Å; F893-L1017 HydrophobicContact CD2-CD2 3.64Å; F893-L1017 HydrophobicContact CE2-CD2 3.56Å; F893-I1020 HydrophobicContact CB-CD1 4.25Å; F893-I1020 HydrophobicContact CD2-CD1 4.16Å
894	V	87.6	Confident	84.5	Confident	1 Å²	1	38 Å²	38	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-40.1	-178.6	176.6	0	0	0	0	111.1	I831 A834 K835 L838 L890 M891 L897 H898 L958	I831-V894 HydrophobicContact CG2-CG1 4.38Å; A834-V894 HydrophobicContact CB-CG1 4.39Å; K835-V894 HydrophobicContact CB-CG1 3.89Å; L838-V894 HydrophobicContact CD1-CG2 4.22Å; L890-V894 WeakPolarHBondContact O-CG2 3.34Å; L890-V894 PolarHBondContact O-N 3.37Å; M891-V894 PolarHBondContact O-N 3.45Å; V894-L897 PolarHBondContact O-N 3.15Å; V894-H898 VanDerWaalsContact O-CB 3.27Å; V894-H898 WeakPolarHBondContact O-CB 3.27Å; V894-H898 PolarHBondContact O-N 3.22Å; V894-L958 HydrophobicContact CG1-CD2 4.37Å; V894-L958 HydrophobicContact CG2-CD2 4.03Å
895	N	87.8	Confident	84.8	Confident	56 Å²	56	36 Å²	36	30%	0.299	18%	0.181	S	C	.	.	H	α-helix	trans	-69.5	-39	178.7	-162.6	48.4	0	0	0	112.1	K835 M891 H892 F893 H898 N899	K835-N895 PolarHBondContact NZ-OD1 3.25Å; M891-N895 WeakPolarHBondContact O-CB 3.28Å; M891-N895 PolarHBondContact O-N 2.93Å; H892-N895 PolarHBondContact O-N 3.4Å; F893-N895 PolarHBondContact O-N 2.87Å; N895-H898 PolarHBondContact O-N 3.26Å; N895-N899 WeakPolarHBondContact O-CB 3.49Å; N895-N899 VanDerWaalsContact O-CG 3.24Å; N895-N899 PolarHBondContact O-N 2.72Å; N895-N899 PolarHBondContact O-ND2 3.19Å
896	S	85	Confident	84.9	Confident	13 Å²	13	33.4 Å²	33.4	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-41.6	173.8	-69.4	0	0	0	0	111.8	H892 F893 Y900	H892-S896 PolarHBondContact NE2-OG 2.79Å; H892-S896 VanDerWaalsContact O-CB 3.25Å; H892-S896 WeakPolarHBondContact O-CB 3.48Å; H892-S896 PolarHBondContact O-N 2.95Å; H892-S896 PolarHBondContact O-OG 2.76Å; F893-S896 PolarHBondContact O-N 2.96Å; S896-Y900 WeakPolarHBondContact O-CB 3.46Å; S896-Y900 PolarHBondContact O-N 3.16Å
897	L	85	Confident	85.2	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-45.4	173.5	-179.9	65.3	0	0	0	111.7	I831 F893 V894 Y900 I901 I954	I831-L897 HydrophobicContact CD1-CD2 4.12Å; I831-L897 HydrophobicContact CD1-CG 4.35Å; I831-L897 HydrophobicContact CG1-CD2 4.48Å; F893-L897 HydrophobicContact CE1-CD2 4.41Å; F893-L897 WeakPolarHBondContact O-CB 3.46Å; F893-L897 PolarHBondContact O-N 3.42Å; V894-L897 PolarHBondContact O-N 3.15Å; L897-Y900 PolarHBondContact O-N 3.07Å; L897-I901 HydrophobicContact CD1-CD1 4.07Å; L897-I901 HydrophobicContact CD1-CG1 4.48Å; L897-I901 HydrophobicContact CG-CD1 4.2Å; L897-I901 WeakPolarHBondContact O-CG1 3.18Å; L897-I901 PolarHBondContact O-N 3.39Å; L897-I954 HydrophobicContact CD1-CD1 4.38Å; L897-I954 HydrophobicContact CD2-CG2 3.49Å; L897-I954 VanDerWaalsContact CD2-CG2 3.49Å
898	H	87.2	Confident	85.4	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-46.8	177.8	-176.9	65.2	0	0	0	111.9	I831 K832 V894 N895 Y900 I901 M902	I831-H898 HydrophobicContact CG2-CB 3.97Å; K832-H898 WeakPolarHBondContact CE-CE1 3.33Å; K832-H898 PolarHBondContact NZ-CE1 3.36Å; K832-H898 PolarHBondContact NZ-NE2 3.48Å; V894-H898 VanDerWaalsContact O-CB 3.27Å; V894-H898 WeakPolarHBondContact O-CB 3.27Å; V894-H898 PolarHBondContact O-N 3.22Å; N895-H898 PolarHBondContact O-N 3.26Å; H898-Y900 PolarHBondContact O-N 3.41Å; H898-I901 PolarHBondContact O-N 3.31Å; H898-M902 VanDerWaalsContact CE1-CG 3.42Å; H898-M902 WeakPolarHBondContact CE1-CG 3.47Å; H898-M902 WeakPolarHBondContact O-CB 3.27Å; H898-M902 WeakPolarHBondContact O-CG 3.43Å; H898-M902 PolarHBondContact O-N 3.22Å
899	N	85.9	Confident	85.6	Confident	69 Å²	69	34.8 Å²	34.8	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-43.2	177.4	-75.6	-21.9	0	0	0	111.4	N895 T903	N895-N899 WeakPolarHBondContact O-CB 3.49Å; N895-N899 VanDerWaalsContact O-CG 3.24Å; N895-N899 PolarHBondContact O-N 2.72Å; N895-N899 PolarHBondContact O-ND2 3.19Å; N899-T903 WeakPolarHBondContact O-CB 3.35Å; N899-T903 PolarHBondContact O-N 2.92Å; N899-T903 PolarHBondContact O-OG1 3.48Å
900	Y	84.8	Confident	85.8	Confident	3 Å²	3	32.4 Å²	32.4	1%	0.012	16%	0.161	C	C	.	.	I	π-helix	trans	-57.5	-51.1	175.4	172.5	-101.8	0	0	0	111.8	S896 L897 H898 R904 I905 H1009 A1012 L1013 M1016	S896-Y900 WeakPolarHBondContact O-CB 3.46Å; S896-Y900 PolarHBondContact O-N 3.16Å; L897-Y900 PolarHBondContact O-N 3.07Å; H898-Y900 PolarHBondContact O-N 3.41Å; Y900-R904 HydrophobicContact CD2-CB 3.99Å; Y900-R904 HydrophobicContact CD2-CG 4.16Å; Y900-R904 HydrophobicContact CE2-CB 4.31Å; Y900-R904 HydrophobicContact CE2-CG 4.02Å; Y900-R904 WeakPolarHBondContact O-CA 3.47Å; Y900-R904 WeakPolarHBondContact O-CB 3.31Å; Y900-R904 PolarHBondContact O-N 3.45Å; Y900-I905 HydrophobicContact CD1-CG1 4.31Å; Y900-I905 HydrophobicContact CE1-CD1 4.07Å; Y900-I905 HydrophobicContact CE1-CG1 3.84Å; Y900-I905 HydrophobicContact CE2-CD1 4.27Å; Y900-I905 PolarHBondContact O-N 2.7Å; Y900-H1009 PolarHBondContact OH-O 2.76Å; Y900-A1012 HydrophobicContact CE2-CB 4.13Å; Y900-L1013 HydrophobicContact CD1-CB 4.4Å; Y900-L1013 HydrophobicContact CD1-CD1 3.79Å; Y900-L1013 HydrophobicContact CD1-CD2 4.41Å; Y900-L1013 HydrophobicContact CD1-CG 4.41Å; Y900-L1013 HydrophobicContact CD2-CB 3.97Å; Y900-L1013 HydrophobicContact CD2-CD1 4.11Å; Y900-L1013 HydrophobicContact CE1-CB 4.19Å; Y900-L1013 HydrophobicContact CE1-CD1 4.33Å; Y900-L1013 HydrophobicContact CE1-CD2 4.24Å; Y900-L1013 HydrophobicContact CE1-CG 4.48Å; Y900-L1013 HydrophobicContact CE2-CB 3.73Å; Y900-L1013 HydrophobicContact CG-CB 4.29Å; Y900-L1013 HydrophobicContact CG-CD1 3.65Å; Y900-L1013 HydrophobicContact CG-CG 4.47Å; Y900-M1016 HydrophobicContact CD2-CE 3.84Å; Y900-M1016 HydrophobicContact CG-CE 4.31Å
901	I	85.1	Confident	86	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.041	19%	0.187	C	C	.	.	I	π-helix	trans	-66.2	-49.1	-178.3	-64	172.7	0	0	0	110.7	L828 I831 L897 H898 I905 L906	L828-I901 HydrophobicContact CD2-CG2 3.61Å; I831-I901 HydrophobicContact CD1-CD1 3.44Å; I831-I901 VanDerWaalsContact CD1-CD1 3.44Å; L897-I901 HydrophobicContact CD1-CD1 4.07Å; L897-I901 HydrophobicContact CD1-CG1 4.48Å; L897-I901 HydrophobicContact CG-CD1 4.2Å; L897-I901 WeakPolarHBondContact O-CG1 3.18Å; L897-I901 PolarHBondContact O-N 3.39Å; H898-I901 PolarHBondContact O-N 3.31Å; I901-I905 WeakPolarHBondContact O-CB 3.22Å; I901-I905 PolarHBondContact O-N 2.86Å; I901-L906 HydrophobicContact CG2-CD1 4.09Å; I901-L906 HydrophobicContact CG2-CG 4.22Å; I901-L906 WeakPolarHBondContact O-CG 3.41Å; I901-L906 PolarHBondContact O-N 3.37Å
902	M	85.6	Confident	86.2	Confident	31 Å²	31	39.8 Å²	39.8	15%	0.153	20%	0.198	C	C	.	.	I	π-helix	trans	-64.7	-52.1	-176.8	-76.2	-61.3	-178.9	0	0	112.9	M729 L828 H898 L906 H907	M729-M902 HydrophobicContact CB-CE 3.86Å; L828-M902 HydrophobicContact CD1-CE 4.3Å; L828-M902 HydrophobicContact CD2-CE 3.9Å; H898-M902 VanDerWaalsContact CE1-CG 3.42Å; H898-M902 WeakPolarHBondContact CE1-CG 3.47Å; H898-M902 WeakPolarHBondContact O-CB 3.27Å; H898-M902 WeakPolarHBondContact O-CG 3.43Å; H898-M902 PolarHBondContact O-N 3.22Å; M902-L906 HydrophobicContact SD-CD1 3.84Å; M902-H907 WeakPolarHBondContact O-CB 3.25Å; M902-H907 PolarHBondContact O-N 3.5Å
903	T	84.6	Confident	86.5	Confident	84 Å²	84	36.3 Å²	36.3	52%	0.515	18%	0.182	S	C	.	.	I	π-helix	trans	-87.6	-47.1	-172.3	64.7	0	0	0	0	112.5	N899 S908	N899-T903 WeakPolarHBondContact O-CB 3.35Å; N899-T903 PolarHBondContact O-N 2.92Å; N899-T903 PolarHBondContact O-OG1 3.48Å; T903-S908 PolarHBondContact O-N 2.82Å
904	R	83.5	Confident	86.7	Confident	124 Å²	124	39.8 Å²	39.8	47%	0.468	20%	0.198	S	C	.	.	I	π-helix	trans	-82	-35.6	-172.2	-176.2	61.1	-179.7	123.9	-5.9	111.8	Y900 S908 A1012	Y900-R904 HydrophobicContact CD2-CB 3.99Å; Y900-R904 HydrophobicContact CD2-CG 4.16Å; Y900-R904 HydrophobicContact CE2-CB 4.31Å; Y900-R904 HydrophobicContact CE2-CG 4.02Å; Y900-R904 WeakPolarHBondContact O-CA 3.47Å; Y900-R904 WeakPolarHBondContact O-CB 3.31Å; Y900-R904 PolarHBondContact O-N 3.45Å; R904-S908 WeakPolarHBondContact O-CB 3.42Å; R904-S908 PolarHBondContact O-OG 3.17Å; R904-A1012 HydrophobicContact CG-CB 4.32Å
905	I	85	Confident	86.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	I	π-helix	trans	-93.6	-65.3	-179.2	-53.6	-51	0	0	0	110.8	Y900 I901 T909 R940	Y900-I905 HydrophobicContact CD1-CG1 4.31Å; Y900-I905 HydrophobicContact CE1-CD1 4.07Å; Y900-I905 HydrophobicContact CE1-CG1 3.84Å; Y900-I905 HydrophobicContact CE2-CD1 4.27Å; Y900-I905 PolarHBondContact O-N 2.7Å; I901-I905 WeakPolarHBondContact O-CB 3.22Å; I901-I905 PolarHBondContact O-N 2.86Å; I905-T909 WeakPolarHBondContact O-CB 3.31Å; I905-T909 VanDerWaalsContact O-CG2 3.3Å; I905-T909 WeakPolarHBondContact O-CG2 3.33Å; I905-T909 PolarHBondContact O-N 3.4Å; I905-T909 VanDerWaalsContact O-N 3.14Å; I905-T909 PolarHBondContact O-OG1 3.35Å; I905-R940 HydrophobicContact CD1-CB 4.06Å; I905-R940 HydrophobicContact CG1-CB 4.41Å; I905-R940 HydrophobicContact CG2-CB 3.51Å; I905-R940 HydrophobicContact CG2-CG 4.48Å
906	L	85.4	Confident	86.8	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.042	22%	0.219	C	C	.	.	I	π-helix	trans	-69.8	-49.8	-169	-60.9	177.4	0	0	0	112.5	L728 V824 L828 I901 M902 T909 G910 I937	L728-L906 HydrophobicContact CB-CD1 4.33Å; L728-L906 HydrophobicContact CD2-CB 4.38Å; L728-L906 HydrophobicContact CD2-CD2 3.86Å; L728-L906 HydrophobicContact CG-CD1 4.49Å; L728-L906 HydrophobicContact CG-CD2 4.09Å; V824-L906 HydrophobicContact CG1-CD2 4.47Å; L828-L906 HydrophobicContact CD1-CD1 3.73Å; L828-L906 HydrophobicContact CD2-CD1 3.92Å; L828-L906 HydrophobicContact CG-CD1 4.44Å; I901-L906 HydrophobicContact CG2-CD1 4.09Å; I901-L906 HydrophobicContact CG2-CG 4.22Å; I901-L906 WeakPolarHBondContact O-CG 3.41Å; I901-L906 PolarHBondContact O-N 3.37Å; M902-L906 HydrophobicContact SD-CD1 3.84Å; L906-T909 PolarHBondContact O-OG1 2.97Å; L906-G910 WeakPolarHBondContact O-CA 3.24Å; L906-G910 PolarHBondContact O-N 3.34Å; L906-I937 HydrophobicContact CD2-CD1 4.06Å; L906-I937 HydrophobicContact CD2-CG1 4.4Å; L906-I937 HydrophobicContact CD2-CG2 3.76Å
907	H	86.2	Confident	87	Confident	106 Å²	106	44.3 Å²	44.3	49%	0.491	22%	0.216	S	C	.	.	I	π-helix	trans	-67.3	-45.2	-178.7	-175.2	68.3	0	0	0	112.7	M902 G910 L911	M902-H907 WeakPolarHBondContact O-CB 3.25Å; M902-H907 PolarHBondContact O-N 3.5Å; H907-G910 PolarHBondContact O-N 3.05Å; H907-L911 PolarHBondContact O-N 3.2Å
908	S	87.6	Confident	87	Confident	25 Å²	25	49.8 Å²	49.8	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-45.1	179.7	77.8	0	0	0	0	112.9	T903 R904 G910 L911 E912	T903-S908 PolarHBondContact O-N 2.82Å; R904-S908 WeakPolarHBondContact O-CB 3.42Å; R904-S908 PolarHBondContact O-OG 3.17Å; S908-G910 VanDerWaalsContact C-N 3.34Å; S908-L911 PolarHBondContact O-N 3.16Å; S908-E912 PolarHBondContact O-N 3.34Å
909	T	88.3	Confident	87	Confident	3 Å²	3	55 Å²	55	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-70.8	-32	177.1	56.9	0	0	0	0	112.1	I905 L906 F913 Y933 T936	I905-T909 WeakPolarHBondContact O-CB 3.31Å; I905-T909 VanDerWaalsContact O-CG2 3.3Å; I905-T909 WeakPolarHBondContact O-CG2 3.33Å; I905-T909 PolarHBondContact O-N 3.4Å; I905-T909 VanDerWaalsContact O-N 3.14Å; I905-T909 PolarHBondContact O-OG1 3.35Å; L906-T909 PolarHBondContact O-OG1 2.97Å; T909-F913 VanDerWaalsContact O-CB 3.24Å; T909-F913 WeakPolarHBondContact O-CB 3.37Å; T909-F913 PolarHBondContact O-N 2.78Å; T909-Y933 WeakPolarHBondContact O-CE2 3.37Å; T909-T936 HydrophobicContact CG2-CG2 4.31Å
910	G	87.9	Confident	87	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-40.5	174.8	0	0	0	0	0	112.3	L906 H907 S908 F913 Q914	L906-G910 WeakPolarHBondContact O-CA 3.24Å; L906-G910 PolarHBondContact O-N 3.34Å; H907-G910 PolarHBondContact O-N 3.05Å; S908-G910 VanDerWaalsContact C-N 3.34Å; G910-F913 PolarHBondContact O-N 3.32Å; G910-Q914 WeakPolarHBondContact O-CB 3.13Å; G910-Q914 PolarHBondContact O-N 3.05Å
911	L	88.9	Confident	86.7	Confident	106 Å²	106	58.7 Å²	58.7	56%	0.555	28%	0.28	S	S	*	.	H	α-helix	trans	-68.1	-45.6	176.9	-171.5	66.2	0	0	0	112	H907 S908 F913 Q914 H915	H907-L911 PolarHBondContact O-N 3.2Å; S908-L911 PolarHBondContact O-N 3.16Å; L911-F913 VanDerWaalsContact C-N 3.28Å; L911-F913 PolarHBondContact O-N 3.24Å; L911-Q914 PolarHBondContact O-N 2.92Å; L911-H915 PolarHBondContact O-N 3.26Å; L911-H915 VanDerWaalsContact O-N 3.16Å
912	E	88.9	Confident	86.6	Confident	100 Å²	100	58.4 Å²	58.4	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-41.4	174.2	-71.8	173.4	-169.3	0	0	111.5	S908 Q916	S908-E912 PolarHBondContact O-N 3.34Å; E912-Q916 VanDerWaalsContact O-CG 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.28Å; E912-Q916 PolarHBondContact O-N 2.92Å; E912-Q916 VanDerWaalsContact O-N 3.09Å
913	F	91.2	Very high	86.5	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-45.7	177.7	172.7	-109.5	0	0	0	112.1	L720 T909 G910 L911 H915 Q916 V917 I929 H930 Y933	L720-F913 HydrophobicContact CD1-CZ 4.33Å; L720-F913 HydrophobicContact CD2-CE1 4.38Å; L720-F913 HydrophobicContact CD2-CZ 4.13Å; T909-F913 VanDerWaalsContact O-CB 3.24Å; T909-F913 WeakPolarHBondContact O-CB 3.37Å; T909-F913 PolarHBondContact O-N 2.78Å; G910-F913 PolarHBondContact O-N 3.32Å; L911-F913 VanDerWaalsContact C-N 3.28Å; L911-F913 PolarHBondContact O-N 3.24Å; F913-H915 VanDerWaalsContact C-N 3.32Å; F913-H915 PolarHBondContact O-N 3.13Å; F913-Q916 PolarHBondContact O-N 3.25Å; F913-V917 HydrophobicContact CD1-CG2 4.28Å; F913-V917 HydrophobicContact CD2-CG2 3.91Å; F913-V917 HydrophobicContact CE1-CG2 3.86Å; F913-V917 HydrophobicContact CE2-CG2 3.43Å; F913-V917 VanDerWaalsContact CE2-CG2 3.43Å; F913-V917 HydrophobicContact CG-CG2 4.3Å; F913-V917 HydrophobicContact CZ-CG2 3.4Å; F913-V917 VanDerWaalsContact CZ-CG2 3.4Å; F913-V917 VanDerWaalsContact O-CG2 3.27Å; F913-V917 WeakPolarHBondContact O-CG2 3.45Å; F913-V917 PolarHBondContact O-N 2.97Å; F913-I929 HydrophobicContact CD2-CG2 3.79Å; F913-I929 HydrophobicContact CE2-CG2 3.88Å; F913-H930 HydrophobicContact CE2-CB 4.14Å; F913-H930 HydrophobicContact CZ-CB 4.37Å; F913-H930 AromaticContact CZ-CD2 3.71Å; F913-Y933 HydrophobicContact CB-CD2 3.51Å; F913-Y933 HydrophobicContact CB-CE2 3.8Å; F913-Y933 HydrophobicContact CB-CG 3.94Å; F913-Y933 HydrophobicContact CD1-CD1 4.18Å; F913-Y933 HydrophobicContact CD1-CD2 4.46Å; F913-Y933 HydrophobicContact CD1-CE1 4.17Å; F913-Y933 HydrophobicContact CD1-CE2 4.44Å; F913-Y933 HydrophobicContact CD1-CG 4.31Å; F913-Y933 HydrophobicContact CD2-CD1 4.09Å; F913-Y933 HydrophobicContact CD2-CD2 4.18Å; F913-Y933 AromaticContact CD2-CG 3.69Å; F913-Y933 HydrophobicContact CD2-CG 3.69Å; F913-Y933 HydrophobicContact CE1-CD1 4.39Å; F913-Y933 HydrophobicContact CE1-CE1 4.46Å; F913-Y933 HydrophobicContact CE2-CD1 4.31Å; F913-Y933 HydrophobicContact CE2-CG 4.29Å; F913-Y933 HydrophobicContact CG-CD1 4.03Å; F913-Y933 AromaticContact CG-CD2 3.81Å; F913-Y933 HydrophobicContact CG-CD2 3.81Å; F913-Y933 HydrophobicContact CG-CE1 4.37Å; F913-Y933 HydrophobicContact CG-CE2 4.16Å; F913-Y933 AromaticContact CG-CG 3.71Å; F913-Y933 HydrophobicContact CG-CG 3.71Å; F913-Y933 HydrophobicContact CZ-CD1 4.45Å
914	Q	88.6	Confident	86.5	Confident	74 Å²	74	54.3 Å²	54.3	35%	0.346	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-44.9	179	-176.1	173.3	-19.7	0	0	111.6	G910 L911 V917 E918	G910-Q914 WeakPolarHBondContact O-CB 3.13Å; G910-Q914 PolarHBondContact O-N 3.05Å; L911-Q914 PolarHBondContact O-N 2.92Å; Q914-V917 PolarHBondContact O-N 2.88Å; Q914-E918 WeakPolarHBondContact O-CG 3.29Å; Q914-E918 PolarHBondContact O-N 3.42Å
915	H	89.6	Confident	86.7	Confident	106 Å²	106	52.6 Å²	52.6	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-43.9	176	-173.6	51.5	0	0	0	112.3	L911 F913 V917 E918 E919	L911-H915 PolarHBondContact O-N 3.26Å; L911-H915 VanDerWaalsContact O-N 3.16Å; F913-H915 VanDerWaalsContact C-N 3.32Å; F913-H915 PolarHBondContact O-N 3.13Å; H915-V917 VanDerWaalsContact C-N 3.32Å; H915-V917 PolarHBondContact O-N 2.9Å; H915-E918 WeakPolarHBondContact O-CB 3.42Å; H915-E918 PolarHBondContact O-N 2.82Å; H915-E919 IonicContact CE1-OE1 3.19Å; H915-E919 IonicContact NE2-OE1 3.99Å; H915-E919 PolarHBondContact NE2-OE1 3.24Å; H915-E919 PolarHBondContact O-N 2.97Å; H915-E919 VanDerWaalsContact O-N 3.16Å
916	Q	89.3	Confident	86.9	Confident	54 Å²	54	52.5 Å²	52.5	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-31.8	177.7	-73.3	174.7	13.8	0	0	113.5	E912 F913 E918 A920 I929 R932	E912-Q916 VanDerWaalsContact O-CG 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.28Å; E912-Q916 PolarHBondContact O-N 2.92Å; E912-Q916 VanDerWaalsContact O-N 3.09Å; F913-Q916 PolarHBondContact O-N 3.25Å; Q916-E918 VanDerWaalsContact C-N 3.35Å; Q916-A920 WeakPolarHBondContact O-CB 3.44Å; Q916-A920 PolarHBondContact O-N 3Å; Q916-A920 VanDerWaalsContact O-N 3.1Å; Q916-I929 HydrophobicContact CB-CD1 4.39Å; Q916-I929 HydrophobicContact CB-CG2 3.84Å; Q916-R932 VanDerWaalsContact CD-NH2 3.29Å
917	V	87.9	Confident	87	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-34.4	175.3	170.2	0	0	0	0	111.2	K711 L720 F913 Q914 H915 L926	K711-V917 WeakPolarHBondContact CE-O 3.37Å; K711-V917 PolarHBondContact NZ-O 3.44Å; L720-V917 HydrophobicContact CD1-CG1 4.21Å; F913-V917 HydrophobicContact CD1-CG2 4.28Å; F913-V917 HydrophobicContact CD2-CG2 3.91Å; F913-V917 HydrophobicContact CE1-CG2 3.86Å; F913-V917 HydrophobicContact CE2-CG2 3.43Å; F913-V917 VanDerWaalsContact CE2-CG2 3.43Å; F913-V917 HydrophobicContact CG-CG2 4.3Å; F913-V917 HydrophobicContact CZ-CG2 3.4Å; F913-V917 VanDerWaalsContact CZ-CG2 3.4Å; F913-V917 VanDerWaalsContact O-CG2 3.27Å; F913-V917 WeakPolarHBondContact O-CG2 3.45Å; F913-V917 PolarHBondContact O-N 2.97Å; Q914-V917 PolarHBondContact O-N 2.88Å; H915-V917 VanDerWaalsContact C-N 3.32Å; H915-V917 PolarHBondContact O-N 2.9Å; V917-L926 HydrophobicContact CB-CD1 4.21Å; V917-L926 HydrophobicContact CG1-CD1 3.85Å; V917-L926 HydrophobicContact CG2-CD1 3.79Å
918	E	86	Confident	87.1	Confident	119 Å²	119	53.2 Å²	53.2	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-43.3	174.8	-71.7	171.8	-169.3	0	0	111.3	K711 Q914 H915 Q916 A920	K711-E918 PolarHBondContact NZ-O 3.44Å; Q914-E918 WeakPolarHBondContact O-CG 3.29Å; Q914-E918 PolarHBondContact O-N 3.42Å; H915-E918 WeakPolarHBondContact O-CB 3.42Å; H915-E918 PolarHBondContact O-N 2.82Å; Q916-E918 VanDerWaalsContact C-N 3.35Å; E918-A920 PolarHBondContact O-N 3.42Å
919	E	86.9	Confident	87.2	Confident	122 Å²	122	53.3 Å²	53.3	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-73.2	-21.4	179.3	-66.3	-175.5	150.4	0	0	114.6	H915 K921	H915-E919 IonicContact CE1-OE1 3.19Å; H915-E919 IonicContact NE2-OE1 3.99Å; H915-E919 PolarHBondContact NE2-OE1 3.24Å; H915-E919 PolarHBondContact O-N 2.97Å; H915-E919 VanDerWaalsContact O-N 3.16Å; E919-K921 PolarHBondContact O-N 3.32Å
920	A	85.4	Confident	87.3	Confident	7 Å²	7	53.2 Å²	53.2	6%	0.058	25%	0.251	C	S	.	.			trans	-63.8	126.6	-176.9	0	0	0	0	0	112.3	Q916 E918 L926 I929	Q916-A920 WeakPolarHBondContact O-CB 3.44Å; Q916-A920 PolarHBondContact O-N 3Å; Q916-A920 VanDerWaalsContact O-N 3.1Å; E918-A920 PolarHBondContact O-N 3.42Å; A920-L926 HydrophobicContact CB-CB 4.49Å; A920-I929 HydrophobicContact CB-CD1 4.04Å
921	K	79.2	Confident	87.4	Confident	142 Å²	142	59.6 Å²	59.6	62%	0.617	28%	0.276	S	S	*	.			trans	-101.1	-16.3	-179.6	-63.1	-175.1	179	-179.3	0	114	E919	E919-K921 PolarHBondContact O-N 3.32Å
922	D	82.5	Confident	87.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	27%	0.274	C	S	.	.	S	Bend	trans	-127.7	148.3	-174.4	176.5	29.2	0	0	0	110.9	M561 Y699 M707 D924 Q925 L926	M561-D922 VanDerWaalsContact CE-OD1 3.26Å; M561-D922 WeakPolarHBondContact CE-OD1 3.32Å; Y699-D922 WeakPolarHBondContact OH-CB 3.39Å; Y699-D922 PolarHBondContact OH-OD2 3Å; M707-D922 VanDerWaalsContact CE-C 3.5Å; M707-D922 WeakPolarHBondContact CE-O 3.05Å; D922-D924 PolarHBondContact OD1-N 3.42Å; D922-Q925 HydrophobicContact CB-CB 4.14Å; D922-Q925 HydrophobicContact CB-CG 3.92Å; D922-Q925 PolarHBondContact O-N 3.39Å; D922-L926 PolarHBondContact O-N 3.24Å
923	L	84.2	Confident	87.5	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-70.7	-36.8	179.8	-175.6	60.8	0	0	0	111.8	W508 L568 L706 L710 I811 V812 Q925 L926 I927	W508-L923 HydrophobicContact CD2-CD2 4.09Å; W508-L923 HydrophobicContact CE3-CD2 4Å; W508-L923 HydrophobicContact CH2-CB 4.07Å; W508-L923 HydrophobicContact CH2-CD2 3.6Å; W508-L923 HydrophobicContact CH2-CG 4.27Å; W508-L923 HydrophobicContact CZ2-CB 3.66Å; W508-L923 HydrophobicContact CZ2-CD2 3.64Å; W508-L923 HydrophobicContact CZ2-CG 3.87Å; W508-L923 HydrophobicContact CZ3-CD2 3.77Å; L568-L923 HydrophobicContact CD2-CD2 4.17Å; L706-L923 HydrophobicContact CD2-CD2 4.21Å; L710-L923 HydrophobicContact CD2-CD1 3.95Å; I811-L923 HydrophobicContact CG2-CD2 4.3Å; V812-L923 HydrophobicContact CG2-CD1 3.55Å; L923-Q925 VanDerWaalsContact C-N 3.35Å; L923-L926 HydrophobicContact CD1-CD2 4.22Å; L923-L926 PolarHBondContact O-N 3.46Å; L923-I927 HydrophobicContact CG-CD1 4.21Å; L923-I927 VanDerWaalsContact O-CG1 3.26Å; L923-I927 WeakPolarHBondContact O-CG1 3.37Å; L923-I927 PolarHBondContact O-N 2.89Å
924	D	84.8	Confident	87.5	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-39	173.2	175.7	58.6	0	0	0	111.3	K557 M561 D922 I927 K928	K557-D924 IonicContact NZ-OD2 3.16Å; K557-D924 PolarHBondContact NZ-OD2 2.94Å; M561-D924 HydrophobicContact CE-CB 3.41Å; M561-D924 VanDerWaalsContact CE-CB 3.41Å; M561-D924 HydrophobicContact SD-CB 4.15Å; D922-D924 PolarHBondContact OD1-N 3.42Å; D924-I927 PolarHBondContact O-N 3.47Å; D924-K928 WeakPolarHBondContact O-CB 3.43Å; D924-K928 VanDerWaalsContact O-CG 3.32Å; D924-K928 WeakPolarHBondContact O-CG 3.48Å; D924-K928 PolarHBondContact O-N 3.04Å; D924-K928 VanDerWaalsContact OD1-CE 3.31Å; D924-K928 WeakPolarHBondContact OD1-CE 3.47Å; D924-K928 IonicContact OD1-NZ 3.57Å; D924-K928 PolarHBondContact OD1-NZ 3.28Å; D924-K928 WeakPolarHBondContact OD2-CE 3.47Å; D924-K928 IonicContact OD2-NZ 3.27Å; D924-K928 PolarHBondContact OD2-NZ 3.42Å
925	Q	86.6	Confident	87.5	Confident	89 Å²	89	55.2 Å²	55.2	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-45.1	172.7	-69.6	-179.9	-7.6	0	0	111.4	D922 L923 K928 I929	D922-Q925 HydrophobicContact CB-CB 4.14Å; D922-Q925 HydrophobicContact CB-CG 3.92Å; D922-Q925 PolarHBondContact O-N 3.39Å; L923-Q925 VanDerWaalsContact C-N 3.35Å; Q925-K928 PolarHBondContact O-N 3.42Å; Q925-I929 WeakPolarHBondContact O-CB 3.41Å; Q925-I929 WeakPolarHBondContact O-CD1 3.29Å; Q925-I929 VanDerWaalsContact O-CG1 3.22Å; Q925-I929 WeakPolarHBondContact O-CG1 3.19Å; Q925-I929 PolarHBondContact O-N 3.46Å
926	L	88.8	Confident	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-46.6	178.1	178.7	63.7	0	0	0	112.2	M707 L716 V812 V917 A920 D922 L923 K928 I929 H930	M707-L926 HydrophobicContact CE-CB 4.05Å; M707-L926 HydrophobicContact CE-CD2 4.02Å; M707-L926 HydrophobicContact SD-CD2 4.13Å; L716-L926 HydrophobicContact CD2-CD2 3.39Å; V812-L926 HydrophobicContact CG1-CD2 4.32Å; V812-L926 HydrophobicContact CG1-CG 4.31Å; V812-L926 HydrophobicContact CG2-CD2 4.12Å; V917-L926 HydrophobicContact CB-CD1 4.21Å; V917-L926 HydrophobicContact CG1-CD1 3.85Å; V917-L926 HydrophobicContact CG2-CD1 3.79Å; A920-L926 HydrophobicContact CB-CB 4.49Å; D922-L926 PolarHBondContact O-N 3.24Å; L923-L926 HydrophobicContact CD1-CD2 4.22Å; L923-L926 PolarHBondContact O-N 3.46Å; L926-K928 VanDerWaalsContact C-N 3.3Å; L926-K928 PolarHBondContact O-N 3.28Å; L926-I929 PolarHBondContact O-N 3.41Å; L926-H930 WeakPolarHBondContact O-CB 3.37Å; L926-H930 PolarHBondContact O-N 2.93Å
927	I	87.6	Confident	87.3	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-42.7	177	-66.9	164.5	0	0	0	110.4	Y509 I811 V812 L923 D924 H930 Y931	Y509-I927 WeakPolarHBondContact OH-CG2 3.45Å; I811-I927 HydrophobicContact CG2-CD1 4.23Å; V812-I927 HydrophobicContact CG2-CG1 4.32Å; L923-I927 HydrophobicContact CG-CD1 4.21Å; L923-I927 VanDerWaalsContact O-CG1 3.26Å; L923-I927 WeakPolarHBondContact O-CG1 3.37Å; L923-I927 PolarHBondContact O-N 2.89Å; D924-I927 PolarHBondContact O-N 3.47Å; I927-H930 PolarHBondContact O-N 3.03Å; I927-Y931 WeakPolarHBondContact O-CB 3.07Å; I927-Y931 PolarHBondContact O-N 2.94Å
928	K	88.6	Confident	87.2	Confident	113 Å²	113	51 Å²	51	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-41.3	177.3	-77	171.3	177.6	164.9	0	112.8	D924 Q925 L926 H930 Y931 R932	D924-K928 WeakPolarHBondContact O-CB 3.43Å; D924-K928 VanDerWaalsContact O-CG 3.32Å; D924-K928 WeakPolarHBondContact O-CG 3.48Å; D924-K928 PolarHBondContact O-N 3.04Å; D924-K928 VanDerWaalsContact OD1-CE 3.31Å; D924-K928 WeakPolarHBondContact OD1-CE 3.47Å; D924-K928 IonicContact OD1-NZ 3.57Å; D924-K928 PolarHBondContact OD1-NZ 3.28Å; D924-K928 WeakPolarHBondContact OD2-CE 3.47Å; D924-K928 IonicContact OD2-NZ 3.27Å; D924-K928 PolarHBondContact OD2-NZ 3.42Å; Q925-K928 PolarHBondContact O-N 3.42Å; L926-K928 VanDerWaalsContact C-N 3.3Å; L926-K928 PolarHBondContact O-N 3.28Å; K928-H930 VanDerWaalsContact C-N 3.33Å; K928-Y931 PolarHBondContact O-N 3.21Å; K928-R932 VanDerWaalsContact O-CB 3.22Å; K928-R932 WeakPolarHBondContact O-CB 3.24Å; K928-R932 PolarHBondContact O-N 3.46Å
929	I	90.3	Very high	87	Confident	27 Å²	27	47.1 Å²	47.1	14%	0.138	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-44.4	176	-71	163.1	0	0	0	109.6	F913 Q916 A920 Q925 L926 R932 Y933	F913-I929 HydrophobicContact CD2-CG2 3.79Å; F913-I929 HydrophobicContact CE2-CG2 3.88Å; Q916-I929 HydrophobicContact CB-CD1 4.39Å; Q916-I929 HydrophobicContact CB-CG2 3.84Å; A920-I929 HydrophobicContact CB-CD1 4.04Å; Q925-I929 WeakPolarHBondContact O-CB 3.41Å; Q925-I929 WeakPolarHBondContact O-CD1 3.29Å; Q925-I929 VanDerWaalsContact O-CG1 3.22Å; Q925-I929 WeakPolarHBondContact O-CG1 3.19Å; Q925-I929 PolarHBondContact O-N 3.46Å; L926-I929 PolarHBondContact O-N 3.41Å; I929-R932 PolarHBondContact O-N 2.94Å; I929-Y933 VanDerWaalsContact O-CB 3.32Å; I929-Y933 WeakPolarHBondContact O-CB 3.36Å; I929-Y933 PolarHBondContact O-N 3.32Å
930	H	90.3	Very high	86.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-47	176.5	-176.8	-113.7	0	0	0	112.7	Y821 F913 L926 I927 K928 R932 Y933 L934	Y821-H930 AromaticContact CE2-CE1 3.93Å; Y821-H930 AromaticContact CE2-NE2 3.63Å; Y821-H930 AromaticContact CZ-NE2 3.69Å; Y821-H930 PolarHBondContact OH-NE2 2.99Å; F913-H930 HydrophobicContact CE2-CB 4.14Å; F913-H930 HydrophobicContact CZ-CB 4.37Å; F913-H930 AromaticContact CZ-CD2 3.71Å; L926-H930 WeakPolarHBondContact O-CB 3.37Å; L926-H930 PolarHBondContact O-N 2.93Å; I927-H930 PolarHBondContact O-N 3.03Å; K928-H930 VanDerWaalsContact C-N 3.33Å; H930-R932 PolarHBondContact O-N 3.39Å; H930-Y933 WeakPolarHBondContact O-CB 3.04Å; H930-Y933 PolarHBondContact O-N 3.06Å; H930-L934 PolarHBondContact O-N 3.11Å
931	Y	89.6	Confident	86.1	Confident	133 Å²	133	44.1 Å²	44.1	52%	0.522	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-40.3	176.8	-169.9	-96.6	0	0	0	112.1	I820 I927 K928 L934 S935	I820-Y931 HydrophobicContact CD1-CE2 4.47Å; I927-Y931 WeakPolarHBondContact O-CB 3.07Å; I927-Y931 PolarHBondContact O-N 2.94Å; K928-Y931 PolarHBondContact O-N 3.21Å; Y931-L934 PolarHBondContact O-N 3.14Å; Y931-S935 WeakPolarHBondContact O-CB 3.44Å; Y931-S935 PolarHBondContact O-N 3.24Å
932	R	90.3	Very high	85.8	Confident	138 Å²	138	37.9 Å²	37.9	52%	0.521	17%	0.173	S	C	.	.	H	α-helix	trans	-63.1	-42.7	174.7	-175.6	176.4	71.7	168	0.8	111.4	Q916 K928 I929 H930 T936	Q916-R932 VanDerWaalsContact CD-NH2 3.29Å; K928-R932 VanDerWaalsContact O-CB 3.22Å; K928-R932 WeakPolarHBondContact O-CB 3.24Å; K928-R932 PolarHBondContact O-N 3.46Å; I929-R932 PolarHBondContact O-N 2.94Å; H930-R932 PolarHBondContact O-N 3.39Å; R932-T936 VanDerWaalsContact O-CB 3.24Å; R932-T936 WeakPolarHBondContact O-CB 3.31Å; R932-T936 PolarHBondContact O-N 2.95Å; R932-T936 PolarHBondContact O-OG1 3.15Å
933	Y	90.8	Very high	85.1	Confident	12 Å²	12	38.9 Å²	38.9	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-50.1	174.8	165.8	-109.1	0	0	0	111	L728 Y821 T909 F913 I929 H930 T936 I937	L728-Y933 VanDerWaalsContact CD2-OH 3.29Å; L728-Y933 WeakPolarHBondContact CD2-OH 3.37Å; Y821-Y933 HydrophobicContact CE1-CE1 4.47Å; T909-Y933 WeakPolarHBondContact O-CE2 3.37Å; F913-Y933 HydrophobicContact CB-CD2 3.51Å; F913-Y933 HydrophobicContact CB-CE2 3.8Å; F913-Y933 HydrophobicContact CB-CG 3.94Å; F913-Y933 HydrophobicContact CD1-CD1 4.18Å; F913-Y933 HydrophobicContact CD1-CD2 4.46Å; F913-Y933 HydrophobicContact CD1-CE1 4.17Å; F913-Y933 HydrophobicContact CD1-CE2 4.44Å; F913-Y933 HydrophobicContact CD1-CG 4.31Å; F913-Y933 HydrophobicContact CD2-CD1 4.09Å; F913-Y933 HydrophobicContact CD2-CD2 4.18Å; F913-Y933 AromaticContact CD2-CG 3.69Å; F913-Y933 HydrophobicContact CD2-CG 3.69Å; F913-Y933 HydrophobicContact CE1-CD1 4.39Å; F913-Y933 HydrophobicContact CE1-CE1 4.46Å; F913-Y933 HydrophobicContact CE2-CD1 4.31Å; F913-Y933 HydrophobicContact CE2-CG 4.29Å; F913-Y933 HydrophobicContact CG-CD1 4.03Å; F913-Y933 AromaticContact CG-CD2 3.81Å; F913-Y933 HydrophobicContact CG-CD2 3.81Å; F913-Y933 HydrophobicContact CG-CE1 4.37Å; F913-Y933 HydrophobicContact CG-CE2 4.16Å; F913-Y933 AromaticContact CG-CG 3.71Å; F913-Y933 HydrophobicContact CG-CG 3.71Å; F913-Y933 HydrophobicContact CZ-CD1 4.45Å; I929-Y933 VanDerWaalsContact O-CB 3.32Å; I929-Y933 WeakPolarHBondContact O-CB 3.36Å; I929-Y933 PolarHBondContact O-N 3.32Å; H930-Y933 WeakPolarHBondContact O-CB 3.04Å; H930-Y933 PolarHBondContact O-N 3.06Å; Y933-T936 WeakPolarHBondContact O-CB 3.47Å; Y933-T936 PolarHBondContact O-N 3.26Å; Y933-T936 VanDerWaalsContact O-N 3.16Å; Y933-I937 HydrophobicContact CD1-CD1 4.39Å; Y933-I937 HydrophobicContact CD2-CD1 3.99Å; Y933-I937 HydrophobicContact CD2-CG1 4.32Å; Y933-I937 HydrophobicContact CE1-CD1 3.74Å; Y933-I937 HydrophobicContact CE2-CD1 3.27Å; Y933-I937 HydrophobicContact CE2-CG1 3.99Å; Y933-I937 PolarHBondContact O-N 3.38Å; Y933-I937 VanDerWaalsContact OH-CD1 3.24Å; Y933-I937 WeakPolarHBondContact OH-CD1 3.32Å
934	L	89.7	Confident	84.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-48	177.2	-80.1	-179.5	0	0	0	113	C817 I820 Y821 H930 Y931 T936 I937 H938	C817-L934 HydrophobicContact CB-CD1 3.51Å; I820-L934 HydrophobicContact CG2-CB 4.28Å; I820-L934 HydrophobicContact CG2-CD2 4.28Å; Y821-L934 HydrophobicContact CD1-CD2 3.71Å; Y821-L934 HydrophobicContact CD2-CD1 4.29Å; Y821-L934 HydrophobicContact CD2-CD2 3.89Å; Y821-L934 HydrophobicContact CE1-CD2 3.38Å; Y821-L934 HydrophobicContact CE2-CD1 3.86Å; Y821-L934 HydrophobicContact CE2-CD2 3.58Å; Y821-L934 HydrophobicContact CE2-CG 4.15Å; Y821-L934 HydrophobicContact CG-CD2 3.95Å; H930-L934 PolarHBondContact O-N 3.11Å; Y931-L934 PolarHBondContact O-N 3.14Å; L934-T936 PolarHBondContact O-N 2.98Å; L934-I937 PolarHBondContact O-N 3.06Å; L934-H938 VanDerWaalsContact O-CB 3.26Å; L934-H938 WeakPolarHBondContact O-CB 3.4Å; L934-H938 PolarHBondContact O-N 3.11Å
935	S	88.6	Confident	83.4	Confident	44 Å²	44	51.3 Å²	51.3	31%	0.308	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-36.3	176.2	-177.3	0	0	0	0	111.4	Y931 D939	Y931-S935 WeakPolarHBondContact O-CB 3.44Å; Y931-S935 PolarHBondContact O-N 3.24Å; S935-D939 VanDerWaalsContact O-CB 3.3Å; S935-D939 WeakPolarHBondContact O-CB 3.47Å; S935-D939 PolarHBondContact O-N 3.21Å
936	T	87.4	Confident	82.2	Confident	43 Å²	43	55 Å²	55	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-43.4	178.5	-60.9	0	0	0	0	111.2	T909 R932 Y933 L934 R940	T909-T936 HydrophobicContact CG2-CG2 4.31Å; R932-T936 VanDerWaalsContact O-CB 3.24Å; R932-T936 WeakPolarHBondContact O-CB 3.31Å; R932-T936 PolarHBondContact O-N 2.95Å; R932-T936 PolarHBondContact O-OG1 3.15Å; Y933-T936 WeakPolarHBondContact O-CB 3.47Å; Y933-T936 PolarHBondContact O-N 3.26Å; Y933-T936 VanDerWaalsContact O-N 3.16Å; L934-T936 PolarHBondContact O-N 2.98Å; T936-R940 HydrophobicContact CG2-CG 4.28Å; T936-R940 VanDerWaalsContact O-CB 3.26Å; T936-R940 WeakPolarHBondContact O-CB 3.28Å; T936-R940 WeakPolarHBondContact O-CG 3.4Å; T936-R940 PolarHBondContact O-N 3.36Å
937	I	87.3	Confident	81.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-49.3	174.7	-74.1	-175.9	0	0	0	110.3	L728 V824 L906 Y933 L934 D939 R940 C941	L728-I937 HydrophobicContact CD2-CD1 3.85Å; V824-I937 HydrophobicContact CG1-CG2 4.01Å; V824-I937 HydrophobicContact CG2-CG2 3.88Å; L906-I937 HydrophobicContact CD2-CD1 4.06Å; L906-I937 HydrophobicContact CD2-CG1 4.4Å; L906-I937 HydrophobicContact CD2-CG2 3.76Å; Y933-I937 HydrophobicContact CD1-CD1 4.39Å; Y933-I937 HydrophobicContact CD2-CD1 3.99Å; Y933-I937 HydrophobicContact CD2-CG1 4.32Å; Y933-I937 HydrophobicContact CE1-CD1 3.74Å; Y933-I937 HydrophobicContact CE2-CD1 3.27Å; Y933-I937 HydrophobicContact CE2-CG1 3.99Å; Y933-I937 PolarHBondContact O-N 3.38Å; Y933-I937 VanDerWaalsContact OH-CD1 3.24Å; Y933-I937 WeakPolarHBondContact OH-CD1 3.32Å; L934-I937 PolarHBondContact O-N 3.06Å; I937-D939 VanDerWaalsContact C-N 3.29Å; I937-D939 PolarHBondContact O-N 3.45Å; I937-R940 PolarHBondContact O-N 2.94Å; I937-C941 VanDerWaalsContact O-CB 3.26Å; I937-C941 WeakPolarHBondContact O-CB 3.26Å; I937-C941 PolarHBondContact O-N 2.98Å; I937-C941 PolarHBondContact O-SG 3.03Å
938	H	85.6	Confident	80.3	Confident	32 Å²	32	57.1 Å²	57.1	15%	0.148	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-41	-179	-178.1	-88.7	0	0	0	112.1	I820 Q823 L934 L943	I820-H938 HydrophobicContact CG2-CB 3.98Å; Q823-H938 PolarHBondContact OE1-NE2 3.07Å; Q823-H938 VanDerWaalsContact OE1-NE2 3.1Å; L934-H938 VanDerWaalsContact O-CB 3.26Å; L934-H938 WeakPolarHBondContact O-CB 3.4Å; L934-H938 PolarHBondContact O-N 3.11Å; H938-L943 WeakPolarHBondContact O-CB 3.48Å; H938-L943 PolarHBondContact O-N 2.89Å
939	D	82.1	Confident	79.6	Confident	38 Å²	38	56.6 Å²	56.6	20%	0.203	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-46.6	176.4	-157.5	21.8	0	0	0	112	S935 I937 C941 L942 R944	S935-D939 VanDerWaalsContact O-CB 3.3Å; S935-D939 WeakPolarHBondContact O-CB 3.47Å; S935-D939 PolarHBondContact O-N 3.21Å; I937-D939 VanDerWaalsContact C-N 3.29Å; I937-D939 PolarHBondContact O-N 3.45Å; D939-C941 VanDerWaalsContact C-N 3.29Å; D939-C941 PolarHBondContact O-N 3.49Å; D939-L942 PolarHBondContact O-N 2.91Å; D939-L942 VanDerWaalsContact O-N 3.11Å; D939-R944 WeakPolarHBondContact OD1-CD 3.11Å; D939-R944 IonicContact OD2-NH1 3.87Å
940	R	79.4	Confident	78.9	Confident	61 Å²	61	55.7 Å²	55.7	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-68.2	-24.9	-180	-70.9	-178.6	-171.2	-170.2	9.4	113.5	I905 T936 I937 L942 H1009	I905-R940 HydrophobicContact CD1-CB 4.06Å; I905-R940 HydrophobicContact CG1-CB 4.41Å; I905-R940 HydrophobicContact CG2-CB 3.51Å; I905-R940 HydrophobicContact CG2-CG 4.48Å; T936-R940 HydrophobicContact CG2-CG 4.28Å; T936-R940 VanDerWaalsContact O-CB 3.26Å; T936-R940 WeakPolarHBondContact O-CB 3.28Å; T936-R940 WeakPolarHBondContact O-CG 3.4Å; T936-R940 PolarHBondContact O-N 3.36Å; I937-R940 PolarHBondContact O-N 2.94Å; R940-L942 PolarHBondContact O-N 3.37Å; R940-H1009 HydrophobicContact CG-CB 4.4Å
941	C	75.6	Confident	78.3	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.034	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	9.8	173.1	-72.7	0	0	0	0	113.4	L827 I937 D939 L943	L827-C941 HydrophobicContact CD2-CB 4.1Å; L827-C941 WeakPolarHBondContact CD2-O 3.42Å; I937-C941 VanDerWaalsContact O-CB 3.26Å; I937-C941 WeakPolarHBondContact O-CB 3.26Å; I937-C941 PolarHBondContact O-N 2.98Å; I937-C941 PolarHBondContact O-SG 3.03Å; D939-C941 VanDerWaalsContact C-N 3.29Å; D939-C941 PolarHBondContact O-N 3.49Å; C941-L943 PolarHBondContact O-N 3.38Å
942	L	71.6	Confident	77.9	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	23.8	177.5	-50	169.1	0	0	0	113.1	D939 R940 V947 V950 I954	D939-L942 PolarHBondContact O-N 2.91Å; D939-L942 VanDerWaalsContact O-N 3.11Å; R940-L942 PolarHBondContact O-N 3.37Å; L942-V947 HydrophobicContact CB-CG1 4.15Å; L942-V947 HydrophobicContact CD2-CG1 3.59Å; L942-V947 HydrophobicContact CG-CG1 4.46Å; L942-V950 HydrophobicContact CD1-CG1 3.97Å; L942-I954 HydrophobicContact CD1-CD1 3.46Å; L942-I954 VanDerWaalsContact CD1-CD1 3.46Å
943	L	69.2	Low	77.4	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.115	25%	0.248	C	C	.	.			trans	-91.2	-9.8	-173.4	-145	68.6	0	0	0	113.1	Q823 L827 H938 C941 K951	Q823-L943 HydrophobicContact CB-CD2 3.54Å; L827-L943 HydrophobicContact CB-CD1 4.41Å; L827-L943 HydrophobicContact CD1-CD1 4.49Å; L827-L943 HydrophobicContact CD2-CD1 4.23Å; H938-L943 WeakPolarHBondContact O-CB 3.48Å; H938-L943 PolarHBondContact O-N 2.89Å; C941-L943 PolarHBondContact O-N 3.38Å; L943-K951 HydrophobicContact CD1-CD 4.11Å
944	R	70.1	Confident	77.1	Confident	118 Å²	118	51.7 Å²	51.7	45%	0.445	25%	0.248	S	C	.	.	S	Bend	trans	-76.4	144.7	179.7	-146.7	171.7	-169.5	-157.4	4.2	112	D939 K946 V947 S948	D939-R944 WeakPolarHBondContact OD1-CD 3.11Å; D939-R944 IonicContact OD2-NH1 3.87Å; R944-K946 VanDerWaalsContact C-N 3.25Å; R944-K946 PolarHBondContact O-N 3.31Å; R944-K946 VanDerWaalsContact O-N 3.12Å; R944-V947 PolarHBondContact O-N 3.33Å; R944-S948 PolarHBondContact O-N 2.93Å
945	E	62.8	Low	76.7	Confident	172 Å²	172	52.2 Å²	52.2	80%	0.804	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-55.8	-35.4	-173.4	-65.1	176.7	169.1	0	0	114.2	V947 S948	E945-V947 PolarHBondContact O-N 3.44Å; E945-S948 WeakPolarHBondContact O-CB 3.42Å; E945-S948 PolarHBondContact O-N 2.95Å; E945-S948 VanDerWaalsContact O-N 3.16Å; E945-S948 PolarHBondContact O-OG 2.99Å
946	K	61.6	Low	76.5	Confident	166 Å²	166	55.5 Å²	55.5	72%	0.722	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.3	177.9	-65.3	-172.7	179.8	-177.9	0	113.8	R944 F949	R944-K946 VanDerWaalsContact C-N 3.25Å; R944-K946 PolarHBondContact O-N 3.31Å; R944-K946 VanDerWaalsContact O-N 3.12Å; K946-F949 WeakPolarHBondContact O-CE1 3.47Å
947	V	64.9	Low	76.4	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.036	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-116.2	10.6	-178.6	-165.5	0	0	0	0	110.8	L942 R944 E945 F949 V950 K951 F1007	L942-V947 HydrophobicContact CB-CG1 4.15Å; L942-V947 HydrophobicContact CD2-CG1 3.59Å; L942-V947 HydrophobicContact CG-CG1 4.46Å; R944-V947 PolarHBondContact O-N 3.33Å; E945-V947 PolarHBondContact O-N 3.44Å; V947-F949 PolarHBondContact O-N 3.19Å; V947-F949 VanDerWaalsContact O-N 3.16Å; V947-V950 HydrophobicContact CG1-CB 3.78Å; V947-V950 HydrophobicContact CG1-CG2 3.65Å; V947-V950 WeakPolarHBondContact O-CB 3.4Å; V947-V950 PolarHBondContact O-N 3.28Å; V947-K951 PolarHBondContact O-N 3.35Å; V947-F1007 HydrophobicContact CG2-CE1 4.08Å; V947-F1007 HydrophobicContact CG2-CE2 4.09Å; V947-F1007 HydrophobicContact CG2-CZ 3.59Å
948	S	69.9	Low	76.3	Confident	55 Å²	55	53.5 Å²	53.5	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-52	-38.9	179.4	53	0	0	0	0	113.2	R944 E945 V950 K951 E952	R944-S948 PolarHBondContact O-N 2.93Å; E945-S948 WeakPolarHBondContact O-CB 3.42Å; E945-S948 PolarHBondContact O-N 2.95Å; E945-S948 VanDerWaalsContact O-N 3.16Å; E945-S948 PolarHBondContact O-OG 2.99Å; S948-V950 VanDerWaalsContact C-N 3.29Å; S948-V950 PolarHBondContact O-N 3.47Å; S948-K951 WeakPolarHBondContact O-CB 3.46Å; S948-K951 PolarHBondContact O-N 3.45Å; S948-K951 VanDerWaalsContact O-N 3.15Å; S948-E952 WeakPolarHBondContact O-CG 3.16Å; S948-E952 PolarHBondContact O-N 3Å
949	F	74.4	Confident	76.2	Confident	103 Å²	103	52.4 Å²	52.4	45%	0.452	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-31.7	177.2	54.5	-95.5	0	0	0	113.8	K946 V947 A953 I997	K946-F949 WeakPolarHBondContact O-CE1 3.47Å; V947-F949 PolarHBondContact O-N 3.19Å; V947-F949 VanDerWaalsContact O-N 3.16Å; F949-A953 PolarHBondContact O-N 3.41Å; F949-I997 HydrophobicContact CD2-CG2 3.96Å; F949-I997 HydrophobicContact CE2-CG2 3.61Å
950	V	76.6	Confident	76.3	Confident	7 Å²	7	51 Å²	51	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-74.4	-42.4	174.4	-173.1	0	0	0	0	109.8	L942 V947 S948 A953 I954 L994 I997 L998	L942-V950 HydrophobicContact CD1-CG1 3.97Å; V947-V950 HydrophobicContact CG1-CB 3.78Å; V947-V950 HydrophobicContact CG1-CG2 3.65Å; V947-V950 WeakPolarHBondContact O-CB 3.4Å; V947-V950 PolarHBondContact O-N 3.28Å; S948-V950 VanDerWaalsContact C-N 3.29Å; S948-V950 PolarHBondContact O-N 3.47Å; V950-A953 WeakPolarHBondContact O-CB 3.37Å; V950-A953 PolarHBondContact O-N 2.88Å; V950-I954 HydrophobicContact CG1-CD1 4.05Å; V950-I954 WeakPolarHBondContact O-CG1 3.38Å; V950-I954 PolarHBondContact O-N 3.1Å; V950-L994 HydrophobicContact CG1-CD1 3.74Å; V950-I997 HydrophobicContact CG2-CG2 3.9Å; V950-L998 HydrophobicContact CG1-CD2 4.44Å
951	K	77.4	Confident	76.5	Confident	63 Å²	63	48.1 Å²	48.1	27%	0.274	22%	0.224	S	C	.	.	H	α-helix	trans	-57	-49.8	174.6	-177.1	-176.3	176.6	-177.9	0	111	L943 V947 S948 A953 I954 M955	L943-K951 HydrophobicContact CD1-CD 4.11Å; V947-K951 PolarHBondContact O-N 3.35Å; S948-K951 WeakPolarHBondContact O-CB 3.46Å; S948-K951 PolarHBondContact O-N 3.45Å; S948-K951 VanDerWaalsContact O-N 3.15Å; K951-A953 VanDerWaalsContact C-N 3.29Å; K951-A953 PolarHBondContact O-N 2.94Å; K951-I954 PolarHBondContact O-N 2.98Å; K951-I954 VanDerWaalsContact O-N 3.13Å; K951-M955 HydrophobicContact CG-CG 4.19Å; K951-M955 WeakPolarHBondContact O-CB 3.3Å; K951-M955 WeakPolarHBondContact O-CG 3.5Å; K951-M955 PolarHBondContact O-N 3.1Å
952	E	79.9	Confident	76.8	Confident	116 Å²	116	48 Å²	48	54%	0.542	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-38.9	177.6	-68.8	-51.5	129	0	0	112.3	S948 M955 K956	S948-E952 WeakPolarHBondContact O-CG 3.16Å; S948-E952 PolarHBondContact O-N 3Å; E952-M955 PolarHBondContact O-N 3.14Å; E952-K956 WeakPolarHBondContact O-CB 3.5Å; E952-K956 PolarHBondContact O-N 2.95Å
953	A	80.8	Confident	77.3	Confident	11 Å²	11	51 Å²	51	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-43.2	175.3	0	0	0	0	0	112.3	F949 V950 K951 K956 V957 F993 L994	F949-A953 PolarHBondContact O-N 3.41Å; V950-A953 WeakPolarHBondContact O-CB 3.37Å; V950-A953 PolarHBondContact O-N 2.88Å; K951-A953 VanDerWaalsContact C-N 3.29Å; K951-A953 PolarHBondContact O-N 2.94Å; A953-K956 PolarHBondContact O-N 3.3Å; A953-V957 WeakPolarHBondContact O-CG2 3.49Å; A953-V957 PolarHBondContact O-N 3.35Å; A953-V957 VanDerWaalsContact O-N 3.16Å; A953-F993 HydrophobicContact CB-CD1 3.94Å; A953-F993 HydrophobicContact CB-CE1 3.99Å; A953-L994 HydrophobicContact CB-CD1 4.16Å
954	I	83.4	Confident	77.9	Confident	10 Å²	10	50 Å²	50	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-46.4	175.8	-68.6	168.9	0	0	0	110.5	L897 L942 V950 K951 K956 V957 L958 L994	L897-I954 HydrophobicContact CD1-CD1 4.38Å; L897-I954 HydrophobicContact CD2-CG2 3.49Å; L897-I954 VanDerWaalsContact CD2-CG2 3.49Å; L942-I954 HydrophobicContact CD1-CD1 3.46Å; L942-I954 VanDerWaalsContact CD1-CD1 3.46Å; V950-I954 HydrophobicContact CG1-CD1 4.05Å; V950-I954 WeakPolarHBondContact O-CG1 3.38Å; V950-I954 PolarHBondContact O-N 3.1Å; K951-I954 PolarHBondContact O-N 2.98Å; K951-I954 VanDerWaalsContact O-N 3.13Å; I954-K956 VanDerWaalsContact C-N 3.28Å; I954-K956 PolarHBondContact O-N 3.43Å; I954-V957 PolarHBondContact O-N 3.15Å; I954-V957 VanDerWaalsContact O-N 3.08Å; I954-L958 HydrophobicContact CG2-CD1 4.03Å; I954-L958 HydrophobicContact CG2-CG 4.38Å; I954-L958 WeakPolarHBondContact O-CG 3.15Å; I954-L958 PolarHBondContact O-N 2.96Å; I954-L994 HydrophobicContact CG1-CD1 3.97Å; I954-L994 HydrophobicContact CG1-CD2 4.4Å
955	M	82.9	Confident	78.3	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.064	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-38.6	177.2	-69.3	-63.8	-77.4	0	0	111.6	V793 Q830 K951 E952 L958 N959	V793-M955 HydrophobicContact CB-CE 4.32Å; V793-M955 HydrophobicContact CG1-CE 3.37Å; V793-M955 HydrophobicContact CG1-SD 4.09Å; Q830-M955 VanDerWaalsContact OE1-CE 3.28Å; Q830-M955 PolarHBondContact OE1-SD 3.01Å; Q830-M955 VanDerWaalsContact OE1-SD 3.37Å; K951-M955 HydrophobicContact CG-CG 4.19Å; K951-M955 WeakPolarHBondContact O-CB 3.3Å; K951-M955 WeakPolarHBondContact O-CG 3.5Å; K951-M955 PolarHBondContact O-N 3.1Å; E952-M955 PolarHBondContact O-N 3.14Å; M955-L958 PolarHBondContact O-N 3.37Å; M955-L958 HydrophobicContact SD-CD1 4.17Å; M955-N959 WeakPolarHBondContact O-CB 3.35Å; M955-N959 PolarHBondContact O-N 3.24Å
956	K	83.8	Confident	78.9	Confident	113 Å²	113	39.9 Å²	39.9	49%	0.491	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-40.4	174.1	-172	174.8	177	-171.8	0	112.3	E952 A953 I954 N959 L960	E952-K956 WeakPolarHBondContact O-CB 3.5Å; E952-K956 PolarHBondContact O-N 2.95Å; A953-K956 PolarHBondContact O-N 3.3Å; I954-K956 VanDerWaalsContact C-N 3.28Å; I954-K956 PolarHBondContact O-N 3.43Å; K956-N959 WeakPolarHBondContact O-CB 3.48Å; K956-N959 PolarHBondContact O-N 3.21Å; K956-L960 WeakPolarHBondContact O-CG 3.46Å; K956-L960 PolarHBondContact O-N 3.38Å
957	V	84.6	Confident	79.5	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-69.4	-40.7	176.1	179.4	0	0	0	0	111.7	L890 F893 A953 I954 N959 L960 A961 F987 C990	L890-V957 HydrophobicContact CD2-CG1 4.42Å; F893-V957 HydrophobicContact CD1-CB 4.37Å; F893-V957 HydrophobicContact CD1-CG1 3.4Å; F893-V957 VanDerWaalsContact CD1-CG1 3.4Å; F893-V957 HydrophobicContact CE1-CB 3.76Å; F893-V957 HydrophobicContact CE1-CG1 3.29Å; F893-V957 HydrophobicContact CE1-CG2 4.43Å; F893-V957 HydrophobicContact CG-CG1 4.17Å; F893-V957 HydrophobicContact CZ-CB 4.17Å; F893-V957 HydrophobicContact CZ-CG1 3.96Å; F893-V957 HydrophobicContact CZ-CG2 4.37Å; A953-V957 WeakPolarHBondContact O-CG2 3.49Å; A953-V957 PolarHBondContact O-N 3.35Å; A953-V957 VanDerWaalsContact O-N 3.16Å; I954-V957 PolarHBondContact O-N 3.15Å; I954-V957 VanDerWaalsContact O-N 3.08Å; V957-N959 PolarHBondContact O-N 3.24Å; V957-L960 PolarHBondContact O-N 3.32Å; V957-A961 PolarHBondContact O-N 3.27Å; V957-F987 HydrophobicContact CG1-CD2 3.98Å; V957-F987 HydrophobicContact CG1-CE2 3.87Å; V957-C990 HydrophobicContact CG2-CB 3.67Å
958	L	85.1	Confident	79.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-38.1	172.2	-66.6	171	0	0	0	111	V793 I831 A834 V894 I954 M955 A961 L962	V793-L958 HydrophobicContact CG2-CB 4.24Å; I831-L958 HydrophobicContact CG1-CD1 3.95Å; I831-L958 HydrophobicContact CG1-CD2 4.45Å; A834-L958 HydrophobicContact CB-CB 4.44Å; A834-L958 HydrophobicContact CB-CD2 3.57Å; V894-L958 HydrophobicContact CG1-CD2 4.37Å; V894-L958 HydrophobicContact CG2-CD2 4.03Å; I954-L958 HydrophobicContact CG2-CD1 4.03Å; I954-L958 HydrophobicContact CG2-CG 4.38Å; I954-L958 WeakPolarHBondContact O-CG 3.15Å; I954-L958 PolarHBondContact O-N 2.96Å; M955-L958 PolarHBondContact O-N 3.37Å; M955-L958 HydrophobicContact SD-CD1 4.17Å; L958-A961 WeakPolarHBondContact O-CB 3.3Å; L958-A961 PolarHBondContact O-N 3.01Å; L958-L962 WeakPolarHBondContact O-CG 3.47Å; L958-L962 PolarHBondContact O-N 3.37Å; L958-L962 VanDerWaalsContact O-N 3.07Å
959	N	84.8	Confident	79.8	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-40.8	175.6	-165.8	54.7	0	0	0	112.8	L791 P792 V793 M955 K956 V957 A961 L962 M963	L791-N959 VanDerWaalsContact CD2-ND2 3.26Å; L791-N959 WeakPolarHBondContact CD2-ND2 3.47Å; P792-N959 WeakPolarHBondContact CD-OD1 3.41Å; V793-N959 HydrophobicContact CG2-CB 3.41Å; V793-N959 VanDerWaalsContact CG2-CB 3.41Å; V793-N959 VanDerWaalsContact CG2-N 3.29Å; M955-N959 WeakPolarHBondContact O-CB 3.35Å; M955-N959 PolarHBondContact O-N 3.24Å; K956-N959 WeakPolarHBondContact O-CB 3.48Å; K956-N959 PolarHBondContact O-N 3.21Å; V957-N959 PolarHBondContact O-N 3.24Å; N959-A961 VanDerWaalsContact C-N 3.26Å; N959-A961 PolarHBondContact O-N 2.91Å; N959-L962 PolarHBondContact O-N 2.87Å; N959-M963 VanDerWaalsContact ND2-CE 3.29Å; N959-M963 WeakPolarHBondContact ND2-CE 3.28Å; N959-M963 WeakPolarHBondContact O-CB 3.1Å; N959-M963 WeakPolarHBondContact O-CG 3.49Å; N959-M963 PolarHBondContact O-N 2.99Å
960	L	83.8	Confident	79.5	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-39	173.5	-70.4	166.8	0	0	0	111.1	K956 V957 M963 F964 M983 D986	K956-L960 WeakPolarHBondContact O-CG 3.46Å; K956-L960 PolarHBondContact O-N 3.38Å; V957-L960 PolarHBondContact O-N 3.32Å; L960-M963 HydrophobicContact CD2-CE 3.74Å; L960-M963 HydrophobicContact CG-CE 4.29Å; L960-F964 VanDerWaalsContact O-CB 3.29Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 PolarHBondContact O-N 3.37Å; L960-M983 HydrophobicContact CD2-CG 4.19Å; L960-D986 HydrophobicContact CD1-CB 4.16Å; L960-D986 HydrophobicContact CD2-CB 4.12Å
961	A	84.3	Confident	78.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-43	175.1	0	0	0	0	0	112.9	L838 L890 V957 L958 N959 F964 A965	L838-A961 HydrophobicContact CD1-CB 3.89Å; L838-A961 HydrophobicContact CD2-CB 4.37Å; L838-A961 HydrophobicContact CG-CB 4.28Å; L890-A961 HydrophobicContact CD2-CB 4.38Å; V957-A961 PolarHBondContact O-N 3.27Å; L958-A961 WeakPolarHBondContact O-CB 3.3Å; L958-A961 PolarHBondContact O-N 3.01Å; N959-A961 VanDerWaalsContact C-N 3.26Å; N959-A961 PolarHBondContact O-N 2.91Å; A961-F964 WeakPolarHBondContact O-CB 3.47Å; A961-F964 PolarHBondContact O-N 3.02Å; A961-A965 PolarHBondContact O-N 2.98Å
962	L	82	Confident	77.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-43.7	178.2	-66.2	171.4	0	0	0	112.4	P792 V793 W833 A834 L958 N959 F964 A965 D966	P792-L962 HydrophobicContact CB-CB 4.11Å; P792-L962 HydrophobicContact CB-CD1 4.18Å; V793-L962 HydrophobicContact CB-CD1 4.15Å; V793-L962 HydrophobicContact CG2-CD1 3.59Å; W833-L962 HydrophobicContact CD2-CD1 4.08Å; W833-L962 HydrophobicContact CD2-CD2 3.72Å; W833-L962 HydrophobicContact CE3-CD1 3.52Å; W833-L962 HydrophobicContact CE3-CD2 4.06Å; W833-L962 HydrophobicContact CE3-CG 4.44Å; W833-L962 HydrophobicContact CG-CD2 4.27Å; W833-L962 HydrophobicContact CH2-CD1 3.49Å; W833-L962 VanDerWaalsContact CH2-CD1 3.49Å; W833-L962 HydrophobicContact CH2-CD2 4.14Å; W833-L962 HydrophobicContact CH2-CG 4.37Å; W833-L962 HydrophobicContact CZ2-CD1 4.01Å; W833-L962 HydrophobicContact CZ2-CD2 3.76Å; W833-L962 HydrophobicContact CZ2-CG 4.44Å; W833-L962 HydrophobicContact CZ3-CD1 3.27Å; W833-L962 HydrophobicContact CZ3-CD2 4.32Å; W833-L962 HydrophobicContact CZ3-CG 4.41Å; A834-L962 HydrophobicContact CB-CD2 4.43Å; L958-L962 WeakPolarHBondContact O-CG 3.47Å; L958-L962 PolarHBondContact O-N 3.37Å; L958-L962 VanDerWaalsContact O-N 3.07Å; N959-L962 PolarHBondContact O-N 2.87Å; L962-F964 VanDerWaalsContact C-N 3.25Å; L962-F964 PolarHBondContact O-N 2.88Å; L962-A965 PolarHBondContact O-N 3.25Å; L962-A965 VanDerWaalsContact O-N 3.11Å; L962-D966 PolarHBondContact O-N 3.41Å
963	M	80.7	Confident	76.6	Confident	75 Å²	75	29.5 Å²	29.5	37%	0.369	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-35.8	174.8	-70.1	-174.8	-61.4	0	0	112	P792 N959 L960 G967	P792-M963 HydrophobicContact CG-CG 4.27Å; N959-M963 VanDerWaalsContact ND2-CE 3.29Å; N959-M963 WeakPolarHBondContact ND2-CE 3.28Å; N959-M963 WeakPolarHBondContact O-CB 3.1Å; N959-M963 WeakPolarHBondContact O-CG 3.49Å; N959-M963 PolarHBondContact O-N 2.99Å; L960-M963 HydrophobicContact CD2-CE 3.74Å; L960-M963 HydrophobicContact CG-CE 4.29Å; M963-G967 PolarHBondContact O-N 3.49Å; M963-G967 VanDerWaalsContact O-N 3.14Å
964	F	82.2	Confident	75.3	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-45.9	172.4	173.9	-100.8	0	0	0	111.6	L838 L841 M883 L886 R887 L890 L960 A961 L962 W968 M983	L838-F964 HydrophobicContact CD2-CD1 3.79Å; L838-F964 HydrophobicContact CD2-CE1 4.27Å; L841-F964 HydrophobicContact CD1-CD1 4.34Å; L841-F964 HydrophobicContact CD1-CE1 4.06Å; M883-F964 HydrophobicContact CB-CE2 4.46Å; M883-F964 WeakPolarHBondContact O-CZ 3.47Å; L886-F964 HydrophobicContact CB-CE2 4.43Å; L886-F964 HydrophobicContact CD2-CD2 3.97Å; L886-F964 HydrophobicContact CD2-CE2 4.02Å; L886-F964 HydrophobicContact CG-CD2 4.42Å; L886-F964 HydrophobicContact CG-CE2 4.28Å; R887-F964 HydrophobicContact CB-CE1 3.72Å; R887-F964 HydrophobicContact CB-CZ 3.83Å; R887-F964 HydrophobicContact CG-CE1 4.09Å; L890-F964 HydrophobicContact CD1-CB 4.08Å; L890-F964 HydrophobicContact CD1-CD1 4.15Å; L890-F964 HydrophobicContact CD1-CG 4.03Å; L960-F964 VanDerWaalsContact O-CB 3.29Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 PolarHBondContact O-N 3.37Å; A961-F964 WeakPolarHBondContact O-CB 3.47Å; A961-F964 PolarHBondContact O-N 3.02Å; L962-F964 VanDerWaalsContact C-N 3.25Å; L962-F964 PolarHBondContact O-N 2.88Å; F964-W968 AromaticContact CE1-CE3 3.99Å; F964-W968 HydrophobicContact CE1-CE3 3.99Å; F964-W968 HydrophobicContact CE1-CZ3 4.33Å; F964-W968 HydrophobicContact CE2-CE3 4.1Å; F964-W968 HydrophobicContact CE2-CZ3 4.37Å; F964-W968 AromaticContact CZ-CE3 3.49Å; F964-W968 HydrophobicContact CZ-CE3 3.49Å; F964-W968 VanDerWaalsContact CZ-CE3 3.49Å; F964-W968 AromaticContact CZ-CZ3 3.62Å; F964-W968 HydrophobicContact CZ-CZ3 3.62Å; F964-W968 WeakPolarHBondContact O-CB 3.36Å; F964-W968 PolarHBondContact O-N 2.98Å; F964-M983 HydrophobicContact CB-CE 4.09Å; F964-M983 HydrophobicContact CB-SD 3.85Å; F964-M983 HydrophobicContact CD2-CE 3.56Å; F964-M983 HydrophobicContact CD2-SD 4.39Å; F964-M983 HydrophobicContact CG-CE 4.3Å
965	A	78.4	Confident	74.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-43.2	178.8	0	0	0	0	0	113	S837 L841 A961 L962 G967 W968 Q969	S837-A965 WeakPolarHBondContact OG-CB 3.48Å; L841-A965 HydrophobicContact CD1-CB 4.18Å; L841-A965 HydrophobicContact CD2-CB 4.29Å; A961-A965 PolarHBondContact O-N 2.98Å; L962-A965 PolarHBondContact O-N 3.25Å; L962-A965 VanDerWaalsContact O-N 3.11Å; A965-G967 PolarHBondContact O-N 3.4Å; A965-W968 WeakPolarHBondContact O-CB 3.31Å; A965-W968 PolarHBondContact O-N 3.48Å; A965-Q969 WeakPolarHBondContact O-CG 3.21Å; A965-Q969 PolarHBondContact O-N 3.32Å
966	D	76.4	Confident	73.2	Confident	76 Å²	76	43.2 Å²	43.2	41%	0.406	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-45.1	178.2	-75.3	-12.9	0	0	0	111.5	L962 Q969 A970	L962-D966 PolarHBondContact O-N 3.41Å; D966-Q969 PolarHBondContact O-N 3.44Å; D966-A970 PolarHBondContact O-N 3.03Å
967	G	72.7	Confident	72.3	Confident	14 Å²	14	41.1 Å²	41.1	14%	0.144	24%	0.237	C	C	.	.	H	α-helix	trans	-75	-28.3	177.2	0	0	0	0	0	112.3	M963 A965 Q969 A970 W975	M963-G967 PolarHBondContact O-N 3.49Å; M963-G967 VanDerWaalsContact O-N 3.14Å; A965-G967 PolarHBondContact O-N 3.4Å; G967-Q969 PolarHBondContact O-N 3.12Å; G967-A970 WeakPolarHBondContact O-CB 3.44Å; G967-A970 PolarHBondContact O-N 3.08Å; G967-W975 PolarHBondContact O-NE1 3.41Å
968	W	73.9	Confident	71.5	Confident	6 Å²	6	47.5 Å²	47.5	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-40.3	171.3	-173	-77.1	0	0	0	111.5	L841 L846 M883 F884 F964 A965 A970 G971	L841-W968 HydrophobicContact CD1-CB 4.46Å; L841-W968 HydrophobicContact CD1-CD2 4.48Å; L841-W968 HydrophobicContact CD1-CG 4.3Å; L841-W968 HydrophobicContact CD2-CB 4.11Å; L841-W968 HydrophobicContact CD2-CG 3.97Å; L846-W968 HydrophobicContact CD1-CD2 4.14Å; L846-W968 HydrophobicContact CD1-CE3 4.18Å; L846-W968 HydrophobicContact CD1-CH2 3.1Å; L846-W968 HydrophobicContact CD1-CZ2 3.03Å; L846-W968 HydrophobicContact CD1-CZ3 3.71Å; L846-W968 HydrophobicContact CG-CD2 4.38Å; L846-W968 HydrophobicContact CG-CH2 4.15Å; L846-W968 HydrophobicContact CG-CZ2 3.6Å; M883-W968 HydrophobicContact CB-CE3 4.4Å; M883-W968 HydrophobicContact CB-CZ3 3.69Å; M883-W968 HydrophobicContact CE-CD2 4.42Å; M883-W968 HydrophobicContact CE-CE3 3.61Å; M883-W968 HydrophobicContact CE-CZ3 4.01Å; F884-W968 AromaticContact CD1-CH2 3.69Å; F884-W968 HydrophobicContact CD1-CH2 3.69Å; F884-W968 HydrophobicContact CD1-CZ2 4.44Å; F884-W968 AromaticContact CE1-CH2 3.49Å; F884-W968 HydrophobicContact CE1-CH2 3.49Å; F884-W968 VanDerWaalsContact CE1-CH2 3.49Å; F884-W968 AromaticContact CE1-CZ2 3.84Å; F884-W968 HydrophobicContact CE1-CZ2 3.84Å; F884-W968 HydrophobicContact CZ-CH2 4.24Å; F884-W968 HydrophobicContact CZ-CZ2 4.49Å; F964-W968 AromaticContact CE1-CE3 3.99Å; F964-W968 HydrophobicContact CE1-CE3 3.99Å; F964-W968 HydrophobicContact CE1-CZ3 4.33Å; F964-W968 HydrophobicContact CE2-CE3 4.1Å; F964-W968 HydrophobicContact CE2-CZ3 4.37Å; F964-W968 AromaticContact CZ-CE3 3.49Å; F964-W968 HydrophobicContact CZ-CE3 3.49Å; F964-W968 VanDerWaalsContact CZ-CE3 3.49Å; F964-W968 AromaticContact CZ-CZ3 3.62Å; F964-W968 HydrophobicContact CZ-CZ3 3.62Å; F964-W968 WeakPolarHBondContact O-CB 3.36Å; F964-W968 PolarHBondContact O-N 2.98Å; A965-W968 WeakPolarHBondContact O-CB 3.31Å; A965-W968 PolarHBondContact O-N 3.48Å; W968-A970 VanDerWaalsContact C-N 3.31Å; W968-A970 PolarHBondContact O-N 2.83Å; W968-G971 PolarHBondContact O-N 3.26Å
969	Q	68.7	Low	71.1	Confident	77 Å²	77	50.3 Å²	50.3	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-69.2	-24.4	176.1	-65.9	171.4	11.4	0	0	113.4	A965 D966 G967 G971	A965-Q969 WeakPolarHBondContact O-CG 3.21Å; A965-Q969 PolarHBondContact O-N 3.32Å; D966-Q969 PolarHBondContact O-N 3.44Å; G967-Q969 PolarHBondContact O-N 3.12Å; Q969-G971 PolarHBondContact O-N 2.86Å
970	A	68.1	Low	70.6	Confident	65 Å²	65	50.1 Å²	50.1	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-9.9	175.6	0	0	0	0	0	114	D966 G967 W968	D966-A970 PolarHBondContact O-N 3.03Å; G967-A970 WeakPolarHBondContact O-CB 3.44Å; G967-A970 PolarHBondContact O-N 3.08Å; W968-A970 VanDerWaalsContact C-N 3.31Å; W968-A970 PolarHBondContact O-N 2.83Å
971	G	62.5	Low	70.4	Confident	16 Å²	16	54 Å²	54	17%	0.165	30%	0.303	C	S	.	.			trans	84.8	164.5	173.9	0	0	0	0	0	115.7	W968 Q969 G973 T974	W968-G971 PolarHBondContact O-N 3.26Å; Q969-G971 PolarHBondContact O-N 2.86Å; G971-G973 PolarHBondContact O-N 3.3Å; G971-G973 VanDerWaalsContact O-N 3.09Å; G971-T974 PolarHBondContact O-OG1 3.43Å
972	L	56.2	Low	70.3	Confident	37 Å²	37	60.7 Å²	60.7	19%	0.194	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.2	-175.3	-75.8	164.3	0	0	0	114.7	L846 A850 I880 M883 T974	L846-L972 HydrophobicContact CB-CD1 4.34Å; L846-L972 HydrophobicContact CD2-CD1 4.15Å; L846-L972 HydrophobicContact CD2-CD2 3.79Å; L846-L972 HydrophobicContact CD2-CG 3.57Å; L846-L972 VanDerWaalsContact O-CD1 3.28Å; L846-L972 WeakPolarHBondContact O-CD1 3.49Å; A850-L972 HydrophobicContact CB-CD1 3.99Å; I880-L972 HydrophobicContact CD1-CD1 4.08Å; I880-L972 HydrophobicContact CG1-CD1 4.22Å; I880-L972 HydrophobicContact CG1-CD2 3.92Å; M883-L972 HydrophobicContact SD-CD2 4.36Å; L972-T974 PolarHBondContact O-N 3.33Å
973	G	54.1	Low	70.3	Confident	84 Å²	84	61.3 Å²	61.3	87%	0.866	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.5	-173.9	0	0	0	0	0	115.4	G971	G971-G973 PolarHBondContact O-N 3.3Å; G971-G973 VanDerWaalsContact O-N 3.09Å
974	T	52.3	Low	70.3	Confident	100 Å²	100	59.5 Å²	59.5	61%	0.613	33%	0.326	S	S	*	.	S	Bend	trans	-103.3	-9.4	-177.3	45.4	0	0	0	0	114.2	G971 L972	G971-T974 PolarHBondContact O-OG1 3.43Å; L972-T974 PolarHBondContact O-N 3.33Å
975	W	60.7	Low	70.4	Confident	44 Å²	44	61.9 Å²	61.9	17%	0.167	34%	0.343	C	S	.	.			trans	-93.7	115.1	-178.3	-75.2	83.6	0	0	0	112.2	G967 I980 M983	G967-W975 PolarHBondContact O-NE1 3.41Å; W975-I980 HydrophobicContact CE3-CG1 3.87Å; W975-I980 HydrophobicContact CZ3-CG1 4.38Å; W975-M983 HydrophobicContact CH2-CE 3.45Å; W975-M983 VanDerWaalsContact CH2-CE 3.45Å; W975-M983 HydrophobicContact CH2-SD 4.39Å; W975-M983 HydrophobicContact CZ3-CE 3.44Å; W975-M983 VanDerWaalsContact CZ3-CE 3.44Å
976	R	61.6	Low	70.7	Confident	178 Å²	178	64.1 Å²	64.1	67%	0.672	36%	0.355	S	S	*	.			trans	-80.3	145.3	165.3	-63.2	-175.7	-175.5	176.6	1.9	109.6	E978 S979	R976-E978 PolarHBondContact O-N 2.88Å; R976-E978 VanDerWaalsContact O-N 3.15Å; R976-S979 WeakPolarHBondContact O-CB 3.3Å; R976-S979 PolarHBondContact O-N 3.3Å
977	M	64.9	Low	71.1	Confident	68 Å²	68	61.1 Å²	61.1	34%	0.335	34%	0.338	S	S	.	.	H	α-helix	trans	-51.5	-37.8	174.8	-166.4	113.8	77.2	0	0	111.7	Q879 S979 I980 E981	Q879-M977 HydrophobicContact CG-SD 3.58Å; Q879-M977 VanDerWaalsContact CG-SD 3.58Å; M977-S979 VanDerWaalsContact C-N 3.28Å; M977-S979 PolarHBondContact O-N 3.31Å; M977-I980 PolarHBondContact O-N 3.4Å; M977-I980 VanDerWaalsContact O-N 3.14Å; M977-E981 WeakPolarHBondContact O-CG 3.41Å; M977-E981 PolarHBondContact O-N 2.92Å
978	E	68.6	Low	71.6	Confident	137 Å²	137	67.3 Å²	67.3	64%	0.64	36%	0.361	S	S	*	.	H	α-helix	trans	-56.6	-35.6	176.9	-61.9	170.1	-177.7	0	0	113.4	R976 K982	R976-E978 PolarHBondContact O-N 2.88Å; R976-E978 VanDerWaalsContact O-N 3.15Å; E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.31Å; E978-K982 PolarHBondContact O-N 3.3Å
979	S	75.6	Confident	72.1	Confident	58 Å²	58	71.8 Å²	71.8	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-74.1	-33.9	179.4	-60.4	0	0	0	0	112.3	R976 M977 M983	R976-S979 WeakPolarHBondContact O-CB 3.3Å; R976-S979 PolarHBondContact O-N 3.3Å; M977-S979 VanDerWaalsContact C-N 3.28Å; M977-S979 PolarHBondContact O-N 3.31Å; S979-M983 WeakPolarHBondContact O-CB 3.48Å; S979-M983 PolarHBondContact O-N 3.16Å
980	I	75.2	Confident	72.8	Confident	6 Å²	6	68.6 Å²	68.6	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-70.4	-44.4	176.3	-60.3	166.8	0	0	0	109.4	M883 W975 M977 K982 M983 E984	M883-I980 HydrophobicContact CG-CD1 3.62Å; M883-I980 HydrophobicContact CG-CG1 4.27Å; M883-I980 HydrophobicContact SD-CD1 3.85Å; W975-I980 HydrophobicContact CE3-CG1 3.87Å; W975-I980 HydrophobicContact CZ3-CG1 4.38Å; M977-I980 PolarHBondContact O-N 3.4Å; M977-I980 VanDerWaalsContact O-N 3.14Å; I980-K982 VanDerWaalsContact C-N 3.34Å; I980-K982 PolarHBondContact O-N 2.97Å; I980-M983 PolarHBondContact O-N 2.95Å; I980-E984 WeakPolarHBondContact O-CG 3.2Å; I980-E984 PolarHBondContact O-N 3.45Å
981	E	79	Confident	73.4	Confident	92 Å²	92	66.5 Å²	66.5	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.4	-66.8	-167.7	155.6	0	0	112.2	R882 M977 E984 S985	R882-E981 IonicContact CZ-OE1 2.99Å; R882-E981 IonicContact NH1-OE1 3.48Å; R882-E981 PolarHBondContact NH1-OE1 3.09Å; R882-E981 IonicContact NH2-OE1 3.24Å; M977-E981 WeakPolarHBondContact O-CG 3.41Å; M977-E981 PolarHBondContact O-N 2.92Å; E981-E984 PolarHBondContact O-N 3.22Å; E981-S985 WeakPolarHBondContact O-CB 3.32Å; E981-S985 PolarHBondContact O-N 3.47Å; E981-S985 PolarHBondContact O-OG 3.48Å
982	K	83.4	Confident	74.4	Confident	139 Å²	139	70.8 Å²	70.8	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-59.8	-47.2	173.6	-173.9	177.1	179	-178.7	0	111.4	E978 I980 S985 D986	E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.31Å; E978-K982 PolarHBondContact O-N 3.3Å; I980-K982 VanDerWaalsContact C-N 3.34Å; I980-K982 PolarHBondContact O-N 2.97Å; K982-S985 PolarHBondContact O-N 2.7Å; K982-S985 PolarHBondContact O-OG 2.93Å; K982-D986 WeakPolarHBondContact O-CB 3.33Å; K982-D986 PolarHBondContact O-N 3.39Å
983	M	80.7	Confident	75.6	Confident	15 Å²	15	73.4 Å²	73.4	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-68.6	-36.4	-179.7	-168.8	159.8	47.8	0	0	113.1	L886 L960 F964 W975 S979 I980 D986 F987	L886-M983 HydrophobicContact CD2-CB 4.44Å; L886-M983 HydrophobicContact CD2-CE 3.81Å; L886-M983 HydrophobicContact CD2-CG 4.22Å; L960-M983 HydrophobicContact CD2-CG 4.19Å; F964-M983 HydrophobicContact CB-CE 4.09Å; F964-M983 HydrophobicContact CB-SD 3.85Å; F964-M983 HydrophobicContact CD2-CE 3.56Å; F964-M983 HydrophobicContact CD2-SD 4.39Å; F964-M983 HydrophobicContact CG-CE 4.3Å; W975-M983 HydrophobicContact CH2-CE 3.45Å; W975-M983 VanDerWaalsContact CH2-CE 3.45Å; W975-M983 HydrophobicContact CH2-SD 4.39Å; W975-M983 HydrophobicContact CZ3-CE 3.44Å; W975-M983 VanDerWaalsContact CZ3-CE 3.44Å; S979-M983 WeakPolarHBondContact O-CB 3.48Å; S979-M983 PolarHBondContact O-N 3.16Å; I980-M983 PolarHBondContact O-N 2.95Å; M983-D986 PolarHBondContact O-N 3.29Å; M983-F987 WeakPolarHBondContact O-CB 3.36Å; M983-F987 PolarHBondContact O-N 3.45Å
984	E	82.1	Confident	76.9	Confident	36 Å²	36	69.6 Å²	69.6	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-44.4	170	-77.8	-178.4	172.7	0	0	111.4	R882 L886 I980 E981 F987 K988	R882-E984 IonicContact CZ-OE2 2.59Å; R882-E984 IonicContact NE-OE1 2.9Å; R882-E984 IonicContact NE-OE2 2.8Å; R882-E984 IonicContact NH2-OE2 3.46Å; R882-E984 PolarHBondContact NH2-OE2 2.86Å; L886-E984 HydrophobicContact CD1-CG 4.05Å; L886-E984 HydrophobicContact CD2-CG 4.13Å; L886-E984 HydrophobicContact CG-CG 4.49Å; I980-E984 WeakPolarHBondContact O-CG 3.2Å; I980-E984 PolarHBondContact O-N 3.45Å; E981-E984 PolarHBondContact O-N 3.22Å; E984-F987 PolarHBondContact O-N 3.13Å; E984-K988 WeakPolarHBondContact O-CB 3.24Å; E984-K988 PolarHBondContact O-N 3.05Å
985	S	83.8	Confident	78.2	Confident	52 Å²	52	65.7 Å²	65.7	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-42	178.3	78.1	0	0	0	0	112	E981 K982 K988 N989	E981-S985 WeakPolarHBondContact O-CB 3.32Å; E981-S985 PolarHBondContact O-N 3.47Å; E981-S985 PolarHBondContact O-OG 3.48Å; K982-S985 PolarHBondContact O-N 2.7Å; K982-S985 PolarHBondContact O-OG 2.93Å; S985-K988 PolarHBondContact O-N 3.04Å; S985-N989 WeakPolarHBondContact O-CB 3.21Å; S985-N989 PolarHBondContact O-N 3.31Å; S985-N989 PolarHBondContact O-ND2 3.38Å
986	D	84.4	Confident	79.2	Confident	47 Å²	47	66.4 Å²	66.4	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-42.7	177.4	-78.9	-25.1	0	0	0	111.1	L960 K982 M983 N989 C990	L960-D986 HydrophobicContact CD1-CB 4.16Å; L960-D986 HydrophobicContact CD2-CB 4.12Å; K982-D986 WeakPolarHBondContact O-CB 3.33Å; K982-D986 PolarHBondContact O-N 3.39Å; M983-D986 PolarHBondContact O-N 3.29Å; D986-N989 PolarHBondContact O-N 2.99Å; D986-C990 WeakPolarHBondContact O-CB 3.26Å; D986-C990 PolarHBondContact O-N 3.27Å; D986-C990 PolarHBondContact O-SG 3.04Å
987	F	84.8	Confident	80	Confident	13 Å²	13	59.4 Å²	59.4	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-47	173.7	176.2	-105.3	0	0	0	111.5	K889 L890 F893 V957 M983 E984 N989 C990 H991	K889-F987 HydrophobicContact CB-CE1 4.02Å; K889-F987 HydrophobicContact CB-CZ 4.43Å; L890-F987 HydrophobicContact CD2-CD2 3.53Å; L890-F987 HydrophobicContact CD2-CE2 3.74Å; L890-F987 HydrophobicContact CD2-CG 4.28Å; L890-F987 HydrophobicContact CG-CD2 4.48Å; F893-F987 HydrophobicContact CB-CE2 4.22Å; F893-F987 HydrophobicContact CB-CZ 4.22Å; F893-F987 HydrophobicContact CG-CE2 4.31Å; V957-F987 HydrophobicContact CG1-CD2 3.98Å; V957-F987 HydrophobicContact CG1-CE2 3.87Å; M983-F987 WeakPolarHBondContact O-CB 3.36Å; M983-F987 PolarHBondContact O-N 3.45Å; E984-F987 PolarHBondContact O-N 3.13Å; F987-N989 VanDerWaalsContact C-N 3.35Å; F987-N989 PolarHBondContact O-N 3.24Å; F987-C990 PolarHBondContact O-N 3.02Å; F987-H991 VanDerWaalsContact O-CB 3.24Å; F987-H991 WeakPolarHBondContact O-CB 3.31Å; F987-H991 PolarHBondContact O-N 2.92Å
988	K	83.6	Confident	80.4	Confident	143 Å²	143	56.3 Å²	56.3	62%	0.622	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-43.3	178.9	-170.4	177.3	-178.8	179.3	0	111.7	E984 S985 H991 M992	E984-K988 WeakPolarHBondContact O-CB 3.24Å; E984-K988 PolarHBondContact O-N 3.05Å; S985-K988 PolarHBondContact O-N 3.04Å; K988-H991 PolarHBondContact O-N 3.14Å; K988-M992 WeakPolarHBondContact O-CB 3.42Å; K988-M992 VanDerWaalsContact O-CG 3.27Å; K988-M992 WeakPolarHBondContact O-CG 2.8Å; K988-M992 PolarHBondContact O-N 3.17Å
989	N	84.7	Confident	80.8	Confident	101 Å²	101	52.5 Å²	52.5	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-44.9	177.8	-69.4	-22.3	0	0	0	111.7	S985 D986 F987 F993	S985-N989 WeakPolarHBondContact O-CB 3.21Å; S985-N989 PolarHBondContact O-N 3.31Å; S985-N989 PolarHBondContact O-ND2 3.38Å; D986-N989 PolarHBondContact O-N 2.99Å; F987-N989 VanDerWaalsContact C-N 3.35Å; F987-N989 PolarHBondContact O-N 3.24Å; N989-F993 VanDerWaalsContact O-CB 3.28Å; N989-F993 WeakPolarHBondContact O-CB 3.34Å; N989-F993 PolarHBondContact O-N 3.44Å
990	C	81.8	Confident	80.8	Confident	10 Å²	10	55.8 Å²	55.8	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-39.2	177.7	-63.6	0	0	0	0	111.9	V957 D986 F987 F993 L994	V957-C990 HydrophobicContact CG2-CB 3.67Å; D986-C990 WeakPolarHBondContact O-CB 3.26Å; D986-C990 PolarHBondContact O-N 3.27Å; D986-C990 PolarHBondContact O-SG 3.04Å; F987-C990 PolarHBondContact O-N 3.02Å; C990-F993 PolarHBondContact O-N 3.33Å; C990-L994 WeakPolarHBondContact O-CB 3.03Å; C990-L994 PolarHBondContact O-N 3.45Å
991	H	81.8	Confident	80.5	Confident	21 Å²	21	56.4 Å²	56.4	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-47.6	176.5	-178.7	71.3	0	0	0	111.7	F987 K988 F993 L994 V995 L1017	F987-H991 VanDerWaalsContact O-CB 3.24Å; F987-H991 WeakPolarHBondContact O-CB 3.31Å; F987-H991 PolarHBondContact O-N 2.92Å; K988-H991 PolarHBondContact O-N 3.14Å; H991-F993 VanDerWaalsContact C-N 3.33Å; H991-F993 PolarHBondContact O-N 3.45Å; H991-L994 PolarHBondContact O-N 3Å; H991-V995 WeakPolarHBondContact O-CG2 3.12Å; H991-V995 PolarHBondContact O-N 2.99Å; H991-L1017 PolarHBondContact CE1-O 2.65Å; H991-L1017 VanDerWaalsContact CE1-O 3.3Å
992	M	82.8	Confident	80	Confident	105 Å²	105	53.9 Å²	53.9	52%	0.517	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-40.4	175.5	-72.5	-59.8	-61.9	0	0	112	K988 T996	K988-M992 WeakPolarHBondContact O-CB 3.42Å; K988-M992 VanDerWaalsContact O-CG 3.27Å; K988-M992 WeakPolarHBondContact O-CG 2.8Å; K988-M992 PolarHBondContact O-N 3.17Å; M992-T996 WeakPolarHBondContact O-CB 3.12Å; M992-T996 VanDerWaalsContact O-CG2 3.25Å; M992-T996 WeakPolarHBondContact O-CG2 3.42Å; M992-T996 PolarHBondContact O-N 2.9Å; M992-T996 PolarHBondContact O-OG1 3.02Å
993	F	82.8	Confident	79.2	Confident	92 Å²	92	52.6 Å²	52.6	40%	0.404	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-46.6	173.7	178.9	-100.7	0	0	0	111.5	A953 N989 C990 H991 T996 I997	A953-F993 HydrophobicContact CB-CD1 3.94Å; A953-F993 HydrophobicContact CB-CE1 3.99Å; N989-F993 VanDerWaalsContact O-CB 3.28Å; N989-F993 WeakPolarHBondContact O-CB 3.34Å; N989-F993 PolarHBondContact O-N 3.44Å; C990-F993 PolarHBondContact O-N 3.33Å; H991-F993 VanDerWaalsContact C-N 3.33Å; H991-F993 PolarHBondContact O-N 3.45Å; F993-T996 WeakPolarHBondContact CA-OG1 3.48Å; F993-T996 PolarHBondContact O-N 3.45Å; F993-T996 PolarHBondContact O-OG1 3.47Å; F993-I997 HydrophobicContact CD1-CG1 4.26Å; F993-I997 HydrophobicContact CD2-CG1 4.1Å; F993-I997 HydrophobicContact CE1-CG1 3.93Å; F993-I997 HydrophobicContact CE2-CD1 3.99Å; F993-I997 HydrophobicContact CE2-CG1 3.76Å; F993-I997 HydrophobicContact CG-CG1 4.35Å; F993-I997 HydrophobicContact CZ-CD1 4.03Å; F993-I997 HydrophobicContact CZ-CG1 3.67Å; F993-I997 WeakPolarHBondContact O-CB 3.28Å; F993-I997 WeakPolarHBondContact O-CG1 3.2Å; F993-I997 PolarHBondContact O-N 2.95Å
994	L	80	Confident	78.6	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-47.1	179.5	-166.8	73.7	0	0	0	111.7	F893 V950 A953 I954 C990 H991 T996 I997 L998 L1017	F893-L994 HydrophobicContact CE2-CD2 3.68Å; F893-L994 HydrophobicContact CZ-CD2 3.85Å; V950-L994 HydrophobicContact CG1-CD1 3.74Å; A953-L994 HydrophobicContact CB-CD1 4.16Å; I954-L994 HydrophobicContact CG1-CD1 3.97Å; I954-L994 HydrophobicContact CG1-CD2 4.4Å; C990-L994 WeakPolarHBondContact O-CB 3.03Å; C990-L994 PolarHBondContact O-N 3.45Å; H991-L994 PolarHBondContact O-N 3Å; L994-T996 PolarHBondContact O-N 3.45Å; L994-I997 PolarHBondContact O-N 2.9Å; L994-L998 HydrophobicContact CG-CD1 3.97Å; L994-L998 HydrophobicContact CG-CG 4.5Å; L994-L998 WeakPolarHBondContact O-CB 3.44Å; L994-L998 WeakPolarHBondContact O-CG 3.26Å; L994-L998 PolarHBondContact O-N 3.33Å; L994-L1017 HydrophobicContact CD2-CD1 3.71Å; L994-L1017 HydrophobicContact CG-CD1 4.34Å
995	V	80.6	Confident	77.4	Confident	17 Å²	17	62.7 Å²	62.7	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-44.3	178.3	172.5	0	0	0	0	111.3	H991 N999 L1017 E1018	H991-V995 WeakPolarHBondContact O-CG2 3.12Å; H991-V995 PolarHBondContact O-N 2.99Å; V995-N999 VanDerWaalsContact O-CB 3.31Å; V995-N999 WeakPolarHBondContact O-CB 3.28Å; V995-N999 PolarHBondContact O-N 2.85Å; V995-N999 PolarHBondContact O-ND2 3.12Å; V995-L1017 HydrophobicContact CG2-CB 4.36Å; V995-E1018 HydrophobicContact CG1-CG 4.1Å
996	T	80.9	Confident	76.1	Confident	59 Å²	59	63.4 Å²	63.4	36%	0.362	34%	0.338	S	S	.	.	H	α-helix	trans	-67.7	-37.4	179.3	53	0	0	0	0	112.9	M992 F993 L994 K1000	M992-T996 WeakPolarHBondContact O-CB 3.12Å; M992-T996 VanDerWaalsContact O-CG2 3.25Å; M992-T996 WeakPolarHBondContact O-CG2 3.42Å; M992-T996 PolarHBondContact O-N 2.9Å; M992-T996 PolarHBondContact O-OG1 3.02Å; F993-T996 WeakPolarHBondContact CA-OG1 3.48Å; F993-T996 PolarHBondContact O-N 3.45Å; F993-T996 PolarHBondContact O-OG1 3.47Å; L994-T996 PolarHBondContact O-N 3.45Å; T996-K1000 WeakPolarHBondContact O-CB 3.35Å; T996-K1000 VanDerWaalsContact O-CG 3.32Å; T996-K1000 WeakPolarHBondContact O-CG 3.34Å; T996-K1000 PolarHBondContact O-N 3.45Å
997	I	77.7	Confident	75.1	Confident	31 Å²	31	63.3 Å²	63.3	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-70	-44.1	176.7	-70.2	-67.4	0	0	0	111.2	F949 V950 F993 L994 N999 K1000 A1001	F949-I997 HydrophobicContact CD2-CG2 3.96Å; F949-I997 HydrophobicContact CE2-CG2 3.61Å; V950-I997 HydrophobicContact CG2-CG2 3.9Å; F993-I997 HydrophobicContact CD1-CG1 4.26Å; F993-I997 HydrophobicContact CD2-CG1 4.1Å; F993-I997 HydrophobicContact CE1-CG1 3.93Å; F993-I997 HydrophobicContact CE2-CD1 3.99Å; F993-I997 HydrophobicContact CE2-CG1 3.76Å; F993-I997 HydrophobicContact CG-CG1 4.35Å; F993-I997 HydrophobicContact CZ-CD1 4.03Å; F993-I997 HydrophobicContact CZ-CG1 3.67Å; F993-I997 WeakPolarHBondContact O-CB 3.28Å; F993-I997 WeakPolarHBondContact O-CG1 3.2Å; F993-I997 PolarHBondContact O-N 2.95Å; L994-I997 PolarHBondContact O-N 2.9Å; I997-N999 VanDerWaalsContact C-N 3.3Å; I997-N999 PolarHBondContact O-N 2.96Å; I997-K1000 PolarHBondContact O-N 3Å; I997-A1001 WeakPolarHBondContact O-CB 3.37Å; I997-A1001 PolarHBondContact O-N 3.38Å
998	L	75	Confident	74.1	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-39.7	175.2	-68.7	172.5	0	0	0	110.7	V950 L994 K1000 A1001 V1002 C1010 L1013 L1014 L1017	V950-L998 HydrophobicContact CG1-CD2 4.44Å; L994-L998 HydrophobicContact CG-CD1 3.97Å; L994-L998 HydrophobicContact CG-CG 4.5Å; L994-L998 WeakPolarHBondContact O-CB 3.44Å; L994-L998 WeakPolarHBondContact O-CG 3.26Å; L994-L998 PolarHBondContact O-N 3.33Å; L998-K1000 PolarHBondContact O-N 2.79Å; L998-A1001 PolarHBondContact O-N 3.37Å; L998-V1002 WeakPolarHBondContact O-CB 3.13Å; L998-V1002 VanDerWaalsContact O-CG2 3.28Å; L998-V1002 WeakPolarHBondContact O-CG2 3.19Å; L998-V1002 PolarHBondContact O-N 2.8Å; L998-C1010 HydrophobicContact CD2-CB 4.1Å; L998-L1013 HydrophobicContact CD1-CD2 3.92Å; L998-L1013 HydrophobicContact CD1-CG 4.3Å; L998-L1014 VanDerWaalsContact C-CD1 3.41Å; L998-L1014 HydrophobicContact CB-CD1 3.73Å; L998-L1014 HydrophobicContact CB-CG 4.19Å; L998-L1017 HydrophobicContact CD1-CD1 3.52Å
999	N	76	Confident	73.1	Confident	57 Å²	57	62 Å²	62	31%	0.305	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.4	-92.2	-38.3	0	0	0	111.6	V995 I997 A1001 V1002 C1003 L1014 E1018	V995-N999 VanDerWaalsContact O-CB 3.31Å; V995-N999 WeakPolarHBondContact O-CB 3.28Å; V995-N999 PolarHBondContact O-N 2.85Å; V995-N999 PolarHBondContact O-ND2 3.12Å; I997-N999 VanDerWaalsContact C-N 3.3Å; I997-N999 PolarHBondContact O-N 2.96Å; N999-A1001 VanDerWaalsContact C-N 3.35Å; N999-A1001 PolarHBondContact O-N 2.93Å; N999-V1002 PolarHBondContact O-N 3.19Å; N999-C1003 PolarHBondContact O-N 3.02Å; N999-C1003 PolarHBondContact O-SG 3.48Å; N999-L1014 HydrophobicContact CB-CD1 4.27Å; N999-L1014 VanDerWaalsContact OD1-CD1 3.22Å; N999-L1014 WeakPolarHBondContact OD1-CD1 3.45Å; N999-L1014 VanDerWaalsContact OD1-CD2 3.25Å; N999-L1014 WeakPolarHBondContact OD1-CD2 3.28Å; N999-E1018 PolarHBondContact ND2-OE1 2.66Å
1000	K	75.3	Confident	72	Confident	127 Å²	127	57.4 Å²	57.4	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-37.6	174.4	-74.9	175.2	-179.4	-179.9	0	112.8	T996 I997 L998 V1002 R1004	T996-K1000 WeakPolarHBondContact O-CB 3.35Å; T996-K1000 VanDerWaalsContact O-CG 3.32Å; T996-K1000 WeakPolarHBondContact O-CG 3.34Å; T996-K1000 PolarHBondContact O-N 3.45Å; I997-K1000 PolarHBondContact O-N 3Å; L998-K1000 PolarHBondContact O-N 2.79Å; K1000-V1002 VanDerWaalsContact C-N 3.34Å; K1000-R1004 WeakPolarHBondContact O-CG 3.29Å; K1000-R1004 PolarHBondContact O-N 3.46Å
1001	A	69.4	Low	71	Confident	20 Å²	20	61.4 Å²	61.4	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-36.6	177.3	0	0	0	0	0	111.9	I997 L998 N999 G1005 S1006 F1007	I997-A1001 WeakPolarHBondContact O-CB 3.37Å; I997-A1001 PolarHBondContact O-N 3.38Å; L998-A1001 PolarHBondContact O-N 3.37Å; N999-A1001 VanDerWaalsContact C-N 3.35Å; N999-A1001 PolarHBondContact O-N 2.93Å; A1001-G1005 PolarHBondContact O-N 3.49Å; A1001-S1006 PolarHBondContact O-N 3.34Å; A1001-F1007 HydrophobicContact CB-CD2 4.42Å
1002	V	67.8	Low	70.1	Confident	38 Å²	38	61.9 Å²	61.9	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-48.8	173.3	163.3	0	0	0	0	111.5	L998 N999 K1000 R1004 G1005 L1011 L1014	L998-V1002 WeakPolarHBondContact O-CB 3.13Å; L998-V1002 VanDerWaalsContact O-CG2 3.28Å; L998-V1002 WeakPolarHBondContact O-CG2 3.19Å; L998-V1002 PolarHBondContact O-N 2.8Å; N999-V1002 PolarHBondContact O-N 3.19Å; K1000-V1002 VanDerWaalsContact C-N 3.34Å; V1002-R1004 PolarHBondContact O-N 3.47Å; V1002-G1005 PolarHBondContact O-N 3.1Å; V1002-L1011 HydrophobicContact CB-CD2 4.13Å; V1002-L1011 HydrophobicContact CG1-CD2 3.28Å; V1002-L1011 HydrophobicContact CG1-CG 4.16Å; V1002-L1011 HydrophobicContact CG2-CD2 3.71Å; V1002-L1011 HydrophobicContact CG2-CG 3.91Å; V1002-L1014 HydrophobicContact CB-CD1 4.43Å; V1002-L1014 HydrophobicContact CG2-CD1 3.78Å
1003	C	66.6	Low	69.5	Low	113 Å²	113	57 Å²	57	76%	0.764	32%	0.319	S	S	*	.	H	α-helix	trans	-62.4	-25.6	179.7	-66.6	0	0	0	0	113.4	N999	N999-C1003 PolarHBondContact O-N 3.02Å; N999-C1003 PolarHBondContact O-SG 3.48Å
1004	R	67.9	Low	68.6	Low	202 Å²	202	53.1 Å²	53.1	76%	0.762	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.2	176.7	-70.1	178	175.9	178.2	-2.4	113.6	K1000 V1002 S1006	K1000-R1004 WeakPolarHBondContact O-CG 3.29Å; K1000-R1004 PolarHBondContact O-N 3.46Å; V1002-R1004 PolarHBondContact O-N 3.47Å; R1004-S1006 PolarHBondContact O-N 3.16Å; R1004-S1006 VanDerWaalsContact O-N 3.11Å; R1004-S1006 PolarHBondContact O-OG 2.82Å
1005	G	58.9	Low	68	Low	61 Å²	61	56 Å²	56	63%	0.629	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	9.4	-179.3	0	0	0	0	0	114.8	A1001 V1002 F1007	A1001-G1005 PolarHBondContact O-N 3.49Å; V1002-G1005 PolarHBondContact O-N 3.1Å; G1005-F1007 VanDerWaalsContact C-N 3.31Å; G1005-F1007 PolarHBondContact O-N 3.4Å
1006	S	55.8	Low	67.1	Low	66 Å²	66	58.2 Å²	58.2	46%	0.462	33%	0.332	S	S	.	.	S	Bend	trans	-74.6	-21	-168.1	-49	0	0	0	0	113.2	A1001 R1004	A1001-S1006 PolarHBondContact O-N 3.34Å; R1004-S1006 PolarHBondContact O-N 3.16Å; R1004-S1006 VanDerWaalsContact O-N 3.11Å; R1004-S1006 PolarHBondContact O-OG 2.82Å
1007	F	63.3	Low	66.4	Low	46 Å²	46	55.5 Å²	55.5	20%	0.202	32%	0.315	C	S	.	.			trans	-149.4	91.3	-176.8	-58.9	-70.6	0	0	0	112.5	V947 A1001 G1005 H1009 C1010	V947-F1007 HydrophobicContact CG2-CE1 4.08Å; V947-F1007 HydrophobicContact CG2-CE2 4.09Å; V947-F1007 HydrophobicContact CG2-CZ 3.59Å; A1001-F1007 HydrophobicContact CB-CD2 4.42Å; G1005-F1007 VanDerWaalsContact C-N 3.31Å; G1005-F1007 PolarHBondContact O-N 3.4Å; F1007-H1009 AromaticContact CD1-CE1 3.46Å; F1007-H1009 VanDerWaalsContact CD1-CE1 3.46Å; F1007-H1009 WeakPolarHBondContact CD1-CE1 3.41Å; F1007-H1009 AromaticContact CD1-NE2 3.87Å; F1007-H1009 PolarHBondContact O-N 3.23Å; F1007-H1009 VanDerWaalsContact O-N 3.17Å; F1007-C1010 HydrophobicContact CB-CB 4.24Å; F1007-C1010 PolarHBondContact O-N 3.16Å; F1007-C1010 VanDerWaalsContact O-N 3.16Å
1008	P	63	Low	65.8	Low	98 Å²	98	58.1 Å²	58.1	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.2	-179.8	24.2	-32.9	0	0	0	113.5	L1011	P1008-L1011 WeakPolarHBondContact O-CB 3.36Å
1009	H	63.9	Low	65.1	Low	30 Å²	30	66.2 Å²	66.2	14%	0.139	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.6	176.7	53.8	-93.5	0	0	0	113.2	Y900 R940 F1007 L1011 A1012	Y900-H1009 PolarHBondContact OH-O 2.76Å; R940-H1009 HydrophobicContact CG-CB 4.4Å; F1007-H1009 AromaticContact CD1-CE1 3.46Å; F1007-H1009 VanDerWaalsContact CD1-CE1 3.46Å; F1007-H1009 WeakPolarHBondContact CD1-CE1 3.41Å; F1007-H1009 AromaticContact CD1-NE2 3.87Å; F1007-H1009 PolarHBondContact O-N 3.23Å; F1007-H1009 VanDerWaalsContact O-N 3.17Å; H1009-L1011 PolarHBondContact O-N 3.34Å; H1009-A1012 PolarHBondContact O-N 3.35Å
1010	C	60.6	Low	64.1	Low	4 Å²	4	64 Å²	64	3%	0.027	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-70.1	-21.5	176.8	-72.8	0	0	0	0	112.7	L998 F1007 A1012 L1013 L1014	L998-C1010 HydrophobicContact CD2-CB 4.1Å; F1007-C1010 HydrophobicContact CB-CB 4.24Å; F1007-C1010 PolarHBondContact O-N 3.16Å; F1007-C1010 VanDerWaalsContact O-N 3.16Å; C1010-A1012 PolarHBondContact O-N 3.27Å; C1010-L1013 PolarHBondContact O-N 3.1Å; C1010-L1013 VanDerWaalsContact O-N 3.14Å; C1010-L1014 PolarHBondContact O-N 3.05Å
1011	L	61.3	Low	62.9	Low	94 Å²	94	60 Å²	60	49%	0.492	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.7	174.7	-79.6	165.9	0	0	0	113.4	V1002 P1008 H1009 P1015	V1002-L1011 HydrophobicContact CB-CD2 4.13Å; V1002-L1011 HydrophobicContact CG1-CD2 3.28Å; V1002-L1011 HydrophobicContact CG1-CG 4.16Å; V1002-L1011 HydrophobicContact CG2-CD2 3.71Å; V1002-L1011 HydrophobicContact CG2-CG 3.91Å; P1008-L1011 WeakPolarHBondContact O-CB 3.36Å; H1009-L1011 PolarHBondContact O-N 3.34Å; L1011-P1015 WeakPolarHBondContact O-CD 3.4Å
1012	A	63.2	Low	61.8	Low	32 Å²	32	63.3 Å²	63.3	26%	0.264	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-86.4	-20.2	-179.3	0	0	0	0	0	113.3	Y900 R904 H1009 C1010	Y900-A1012 HydrophobicContact CE2-CB 4.13Å; R904-A1012 HydrophobicContact CG-CB 4.32Å; H1009-A1012 PolarHBondContact O-N 3.35Å; C1010-A1012 PolarHBondContact O-N 3.27Å
1013	L	68.6	Low	60.7	Low	1 Å²	1	66.5 Å²	66.5	1%	0.005	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-34	176.7	-178.6	62.5	0	0	0	111.3	Y900 L998 C1010 M1016 L1017	Y900-L1013 HydrophobicContact CD1-CB 4.4Å; Y900-L1013 HydrophobicContact CD1-CD1 3.79Å; Y900-L1013 HydrophobicContact CD1-CD2 4.41Å; Y900-L1013 HydrophobicContact CD1-CG 4.41Å; Y900-L1013 HydrophobicContact CD2-CB 3.97Å; Y900-L1013 HydrophobicContact CD2-CD1 4.11Å; Y900-L1013 HydrophobicContact CE1-CB 4.19Å; Y900-L1013 HydrophobicContact CE1-CD1 4.33Å; Y900-L1013 HydrophobicContact CE1-CD2 4.24Å; Y900-L1013 HydrophobicContact CE1-CG 4.48Å; Y900-L1013 HydrophobicContact CE2-CB 3.73Å; Y900-L1013 HydrophobicContact CG-CB 4.29Å; Y900-L1013 HydrophobicContact CG-CD1 3.65Å; Y900-L1013 HydrophobicContact CG-CG 4.47Å; L998-L1013 HydrophobicContact CD1-CD2 3.92Å; L998-L1013 HydrophobicContact CD1-CG 4.3Å; C1010-L1013 PolarHBondContact O-N 3.1Å; C1010-L1013 VanDerWaalsContact O-N 3.14Å; L1013-M1016 PolarHBondContact O-N 3.32Å; L1013-L1017 HydrophobicContact CD1-CD1 4.15Å; L1013-L1017 HydrophobicContact CD1-CG 4.2Å; L1013-L1017 HydrophobicContact CD2-CD1 4.14Å; L1013-L1017 HydrophobicContact CG-CD1 3.72Å; L1013-L1017 HydrophobicContact CG-CG 4.19Å; L1013-L1017 WeakPolarHBondContact O-CG 3.39Å; L1013-L1017 PolarHBondContact O-N 3.26Å
1014	L	65.6	Low	59.4	Low	11 Å²	11	64.6 Å²	64.6	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-47.2	-173.5	-145.2	151.5	0	0	0	113.9	L998 N999 V1002 C1010 M1016 L1017 E1018	L998-L1014 VanDerWaalsContact C-CD1 3.41Å; L998-L1014 HydrophobicContact CB-CD1 3.73Å; L998-L1014 HydrophobicContact CB-CG 4.19Å; N999-L1014 HydrophobicContact CB-CD1 4.27Å; N999-L1014 VanDerWaalsContact OD1-CD1 3.22Å; N999-L1014 WeakPolarHBondContact OD1-CD1 3.45Å; N999-L1014 VanDerWaalsContact OD1-CD2 3.25Å; N999-L1014 WeakPolarHBondContact OD1-CD2 3.28Å; V1002-L1014 HydrophobicContact CB-CD1 4.43Å; V1002-L1014 HydrophobicContact CG2-CD1 3.78Å; C1010-L1014 PolarHBondContact O-N 3.05Å; L1014-M1016 VanDerWaalsContact C-N 3.33Å; L1014-M1016 PolarHBondContact O-N 2.75Å; L1014-L1017 PolarHBondContact O-N 2.79Å; L1014-E1018 HydrophobicContact CD2-CG 3.89Å; L1014-E1018 WeakPolarHBondContact CD2-OE1 3.26Å; L1014-E1018 WeakPolarHBondContact O-CB 3.32Å; L1014-E1018 WeakPolarHBondContact O-CG 3.5Å; L1014-E1018 PolarHBondContact O-N 3.23Å
1015	P	65.6	Low	57.9	Low	66 Å²	66	59 Å²	59	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-31.1	178.2	-16.2	29.6	0	0	0	112.8	L1011 L1017 R1019	L1011-P1015 WeakPolarHBondContact O-CD 3.4Å; P1015-L1017 VanDerWaalsContact C-N 3.34Å; P1015-R1019 WeakPolarHBondContact O-CG 3.17Å; P1015-R1019 PolarHBondContact O-N 3.27Å; P1015-R1019 VanDerWaalsContact O-N 3.1Å
1016	M	63.1	Low	56.6	Low	63 Å²	63	67 Å²	67	31%	0.31	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-33.6	175.5	-79.1	-162.5	-84.3	0	0	111.7	Y900 L1013 L1014	Y900-M1016 HydrophobicContact CD2-CE 3.84Å; Y900-M1016 HydrophobicContact CG-CE 4.31Å; L1013-M1016 PolarHBondContact O-N 3.32Å; L1014-M1016 VanDerWaalsContact C-N 3.33Å; L1014-M1016 PolarHBondContact O-N 2.75Å
1017	L	64.9	Low	56.6	Low	2 Å²	2	67.1 Å²	67.1	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-79.1	-34.5	173.7	-68.1	175.4	0	0	0	112.5	F893 H991 L994 V995 L998 L1013 L1014 P1015 I1020	F893-L1017 HydrophobicContact CD2-CD2 3.64Å; F893-L1017 HydrophobicContact CE2-CD2 3.56Å; H991-L1017 PolarHBondContact CE1-O 2.65Å; H991-L1017 VanDerWaalsContact CE1-O 3.3Å; L994-L1017 HydrophobicContact CD2-CD1 3.71Å; L994-L1017 HydrophobicContact CG-CD1 4.34Å; V995-L1017 HydrophobicContact CG2-CB 4.36Å; L998-L1017 HydrophobicContact CD1-CD1 3.52Å; L1013-L1017 HydrophobicContact CD1-CD1 4.15Å; L1013-L1017 HydrophobicContact CD1-CG 4.2Å; L1013-L1017 HydrophobicContact CD2-CD1 4.14Å; L1013-L1017 HydrophobicContact CG-CD1 3.72Å; L1013-L1017 HydrophobicContact CG-CG 4.19Å; L1013-L1017 WeakPolarHBondContact O-CG 3.39Å; L1013-L1017 PolarHBondContact O-N 3.26Å; L1014-L1017 PolarHBondContact O-N 2.79Å; P1015-L1017 VanDerWaalsContact C-N 3.34Å; L1017-I1020 HydrophobicContact CD2-CD1 4.06Å; L1017-I1020 WeakPolarHBondContact O-CB 3.41Å; L1017-I1020 WeakPolarHBondContact O-CG1 2.92Å; L1017-I1020 PolarHBondContact O-N 3.26Å
1018	E	65.8	Low	56.2	Low	86 Å²	86	68.2 Å²	68.2	40%	0.402	38%	0.382	S	S	.	.	H	α-helix	trans	-72	-29	178.2	-77.1	-177.4	164.3	0	0	113.2	V995 N999 L1014 I1020 G1021 T1022	V995-E1018 HydrophobicContact CG1-CG 4.1Å; N999-E1018 PolarHBondContact ND2-OE1 2.66Å; L1014-E1018 HydrophobicContact CD2-CG 3.89Å; L1014-E1018 WeakPolarHBondContact CD2-OE1 3.26Å; L1014-E1018 WeakPolarHBondContact O-CB 3.32Å; L1014-E1018 WeakPolarHBondContact O-CG 3.5Å; L1014-E1018 PolarHBondContact O-N 3.23Å; E1018-I1020 PolarHBondContact O-N 3.01Å; E1018-I1020 VanDerWaalsContact O-N 3.11Å; E1018-G1021 PolarHBondContact O-N 2.98Å; E1018-T1022 PolarHBondContact O-N 3.32Å
1019	R	60	Low	55.9	Low	174 Å²	174	66.5 Å²	66.5	66%	0.657	37%	0.368	S	S	*	.	H	α-helix	trans	-58.7	-20.9	171	-85.1	-177.7	177.6	-176.2	-0.3	113.4	P1015 G1021 T1022 V1023	P1015-R1019 WeakPolarHBondContact O-CG 3.17Å; P1015-R1019 PolarHBondContact O-N 3.27Å; P1015-R1019 VanDerWaalsContact O-N 3.1Å; R1019-G1021 VanDerWaalsContact C-N 3.29Å; R1019-T1022 WeakPolarHBondContact CA-OG1 3.27Å; R1019-T1022 PolarHBondContact O-N 3.34Å; R1019-T1022 PolarHBondContact O-OG1 3.21Å; R1019-V1023 WeakPolarHBondContact O-CB 3.47Å; R1019-V1023 VanDerWaalsContact O-CG2 3.3Å; R1019-V1023 WeakPolarHBondContact O-CG2 3.32Å; R1019-V1023 PolarHBondContact O-N 3.45Å
1020	I	55.1	Low	55.4	Low	9 Å²	9	68.6 Å²	68.6	5%	0.046	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-37.3	171.9	-53.7	-175.9	0	0	0	110.3	H892 F893 L1017 E1018 L1024	H892-I1020 VanDerWaalsContact CD2-CG1 3.42Å; H892-I1020 WeakPolarHBondContact CD2-CG1 3.46Å; F893-I1020 HydrophobicContact CB-CD1 4.25Å; F893-I1020 HydrophobicContact CD2-CD1 4.16Å; L1017-I1020 HydrophobicContact CD2-CD1 4.06Å; L1017-I1020 WeakPolarHBondContact O-CB 3.41Å; L1017-I1020 WeakPolarHBondContact O-CG1 2.92Å; L1017-I1020 PolarHBondContact O-N 3.26Å; E1018-I1020 PolarHBondContact O-N 3.01Å; E1018-I1020 VanDerWaalsContact O-N 3.11Å; I1020-L1024 HydrophobicContact CG2-CD1 3.97Å; I1020-L1024 WeakPolarHBondContact O-CB 3.36Å; I1020-L1024 VanDerWaalsContact O-CD1 3.3Å; I1020-L1024 WeakPolarHBondContact O-CD1 3.48Å
1021	G	49.9	Very low	55.1	Low	45 Å²	45	72.7 Å²	72.7	46%	0.464	40%	0.404	S	S	.	.	H	α-helix	trans	-72.1	-34.7	178.6	0	0	0	0	0	113.5	E1018 R1019 A1025	E1018-G1021 PolarHBondContact O-N 2.98Å; R1019-G1021 VanDerWaalsContact C-N 3.29Å; G1021-A1025 WeakPolarHBondContact O-CB 3.49Å
1022	T	47.8	Very low	54.7	Low	89 Å²	89	71.3 Å²	71.3	55%	0.546	40%	0.398	S	S	.	.	H	α-helix	trans	-90.9	-35.6	-173.3	48	0	0	0	0	114.1	E1018 R1019 L1024 A1025	E1018-T1022 PolarHBondContact O-N 3.32Å; R1019-T1022 WeakPolarHBondContact CA-OG1 3.27Å; R1019-T1022 PolarHBondContact O-N 3.34Å; R1019-T1022 PolarHBondContact O-OG1 3.21Å; T1022-L1024 PolarHBondContact O-N 3.26Å; T1022-A1025 PolarHBondContact O-N 3.5Å
1023	V	43.1	Very low	54	Low	104 Å²	104	74.1 Å²	74.1	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-72.7	-17	177.3	177	0	0	0	0	112.4	R1019	R1019-V1023 WeakPolarHBondContact O-CB 3.47Å; R1019-V1023 VanDerWaalsContact O-CG2 3.3Å; R1019-V1023 WeakPolarHBondContact O-CG2 3.32Å; R1019-V1023 PolarHBondContact O-N 3.45Å
1024	L	40.2	Very low	52.9	Low	73 Å²	73	79.7 Å²	79.7	38%	0.382	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-5.9	178.6	-77	159.3	0	0	0	113.9	L885 K889 I1020 T1022	L885-L1024 HydrophobicContact CD1-CD2 4.16Å; K889-L1024 HydrophobicContact CD-CD1 4.32Å; K889-L1024 HydrophobicContact CG-CD1 3.67Å; K889-L1024 HydrophobicContact CG-CD2 4.3Å; I1020-L1024 HydrophobicContact CG2-CD1 3.97Å; I1020-L1024 WeakPolarHBondContact O-CB 3.36Å; I1020-L1024 VanDerWaalsContact O-CD1 3.3Å; I1020-L1024 WeakPolarHBondContact O-CD1 3.48Å; T1022-L1024 PolarHBondContact O-N 3.26Å
1025	A	37.1	Very low	51.9	Low	85 Å²	85	85.4 Å²	85.4	70%	0.702	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.7	172.2	0	0	0	0	0	112.6	G1021 T1022	G1021-A1025 WeakPolarHBondContact O-CB 3.49Å; T1022-A1025 PolarHBondContact O-N 3.5Å
1026	H	29.9	Very low	50.6	Low	229 Å²	229	87.2 Å²	87.2	100%	1.06	47%	0.474	S	S	*	.			trans	-101.8	0	163.8	-80.8	-56.6	0	0	0	109.5

Retrieved 1,026 of 1,026 residues in 624.1 ms (Link to these results)

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