A0A5K4ERZ8_SCHMA Loading...

Putative sodium/calcium exchanger

AlphaFold DB , UniProt , Accession A0A5K4ERZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 913 aa.

						>A0A5K4ERZ8_SCHMA|A0A5K4ERZ8
MIKYIFFFTVCSIISKPLAAEKLVNGTCPSSQRTFCYDGIIVPMWRPSTGITTGDKAARAIVYFSALMYLFLGVSIIADRFMAAIEVITSQEKEVTLRKKNGETQTISVRIWNETVSNLTLMALGSSAPEILLSVIEIIGKNFEAGDLGPGTIVGSAAFNLFVIIGVCIVVVPDGQVRRIKHLSVFFITSSWSLFAYLWMYLIIAVFTPGVVEVWEALLTFIFFPIIVICAYLADTKIFFKKFLKKKYRATALMKAANGDLELTNHTEEVTYAPTDGESLAEESEFDRHRMDYVEAIKEIRKRNPNIGMKELEELAQMEVLNKGPKSRAYYRMQATRQLTGSGNVIKKAKVERRMSFDDNRLTTETYPPHVQRFFFNPGHYTVMENVGTFPVTVTRVGGDMHAVVSVEYFTLDGTAVAGEDYEPVKGLLLFSAGETHKQIMISIIDDDIFEEDEHFTVHLRNLEVKHSSTKIEPVLVDPMVATIMVLDDDHSGVFQFDVVDLTVSESCEYAEIKVQRVSGCRGVVRLPYQTVEGTAKGGGKDFEDMVGYIEFQNDQTEGTIRIRVMDDNNYEKSEYFYVQLGEPVLIDKDGTKDVPSHLFARIAQRSDSLISGNSSMKRRNSRTPSTKDGNLNPRKSLGFVETGQPRLGQQTRIKITITESTEFKNTVDRLVKQGTLALVVGTSSWKEQFIEAITVSAGGDVDDDEGEKLPTCMDYVMHFLTVFWKVLFAFVPPTDYGGGWFCFTVCILVIGVLTAVIGDVASSFGCSIGLTDAVTAITFVALGTSLPDTFASKVAAVGDQYADSSIGNVTGSNAVNVFLGIGLGWSIAAIYHAIKGTQFLVQPGSLGFSVTTYCIFALVAIFLILYRRKKSIGGELGGPKVAKYISASFLFFLWFVYILLAGLENYCIIEGF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	44.8	Very low	191 Å²	191	127.5 Å²	127.5	94%	0.941	61%	0.608	S	S	*	*				0	-60	0	-143.3	173.3	-101	0	0	111.6	K3 Y4 I5	M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.2Å; M1-Y4 PolarHBondContact O-N 2.92Å; M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 2.69Å; M1-I5 VanDerWaalsContact O-N 3.1Å
2	I	50.1	Low	44.4	Very low	146 Å²	146	123.8 Å²	123.8	75%	0.749	61%	0.606	S	S	*	*	H	α-helix	trans	-56.3	-39.4	177	-65.6	166.5	0	0	0	113.9	Y4 I5 F6	I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.64Å; I2-I5 PolarHBondContact O-N 3.09Å; I2-F6 PolarHBondContact O-N 3.15Å
3	K	43.4	Very low	44.2	Very low	187 Å²	187	118.3 Å²	118.3	81%	0.813	58%	0.58	S	S	*	*	H	α-helix	trans	-63	-31.5	175.7	-75	-173.4	175.2	-176.6	0	114.5	M1 F7	M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.2Å; K3-F7 PolarHBondContact O-N 3.36Å
4	Y	47.5	Very low	44	Very low	182 Å²	182	116.7 Å²	116.7	71%	0.714	57%	0.573	S	S	*	*	H	α-helix	trans	-83.9	-35.3	179.7	-77.4	-81.2	0	0	0	111.5	M1 I2 F7 F8	M1-Y4 PolarHBondContact O-N 2.92Å; I2-Y4 VanDerWaalsContact C-N 3.31Å; I2-Y4 PolarHBondContact O-N 2.64Å; Y4-F7 PolarHBondContact O-N 2.83Å; Y4-F8 WeakPolarHBondContact O-CB 3.44Å; Y4-F8 PolarHBondContact O-N 2.78Å
5	I	55.2	Low	43.4	Very low	102 Å²	102	115 Å²	115	52%	0.523	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-46.2	173.3	-64.5	166.9	0	0	0	109.5	M1 I2 F7 F8 T9	M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 2.69Å; M1-I5 VanDerWaalsContact O-N 3.1Å; I2-I5 PolarHBondContact O-N 3.09Å; I5-F7 PolarHBondContact O-N 3.13Å; I5-F8 PolarHBondContact O-N 3.16Å; I5-T9 WeakPolarHBondContact O-CB 3.41Å; I5-T9 PolarHBondContact O-N 3.26Å; I5-T9 PolarHBondContact O-OG1 2.99Å
6	F	47.3	Very low	42.7	Very low	129 Å²	129	119.4 Å²	119.4	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-60.6	-44.4	-180	-159.8	-97.1	0	0	0	112.7	I2 V10	I2-F6 PolarHBondContact O-N 3.15Å; F6-V10 HydrophobicContact CD1-CG2 4.28Å; F6-V10 HydrophobicContact CE1-CG2 4.16Å; F6-V10 WeakPolarHBondContact O-CB 3.19Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 3.13Å
7	F	45.4	Very low	42.4	Very low	147 Å²	147	119.8 Å²	119.8	65%	0.645	61%	0.605	S	S	*	*	H	α-helix	trans	-67.3	-42.9	179.2	-160.2	-94.8	0	0	0	112.5	K3 Y4 I5 C11	K3-F7 PolarHBondContact O-N 3.36Å; Y4-F7 PolarHBondContact O-N 2.83Å; I5-F7 PolarHBondContact O-N 3.13Å; F7-C11 PolarHBondContact O-N 2.85Å
8	F	41.4	Very low	42	Very low	145 Å²	145	119.9 Å²	119.9	64%	0.636	61%	0.607	S	S	*	*	H	α-helix	trans	-69.3	-37	177.6	-110.6	-87.4	0	0	0	112.7	Y4 I5 C11 S12	Y4-F8 WeakPolarHBondContact O-CB 3.44Å; Y4-F8 PolarHBondContact O-N 2.78Å; I5-F8 PolarHBondContact O-N 3.16Å; F8-C11 PolarHBondContact O-N 3.3Å; F8-S12 VanDerWaalsContact O-CB 3.32Å; F8-S12 WeakPolarHBondContact O-CB 3.24Å; F8-S12 PolarHBondContact O-N 2.56Å; F8-S12 PolarHBondContact O-OG 3.11Å
9	T	45.3	Very low	41.7	Very low	68 Å²	68	118.1 Å²	118.1	42%	0.417	61%	0.612	S	S	.	*	H	α-helix	trans	-67.4	-41.6	178.7	-40.4	0	0	0	0	110.3	I5 S12 I13	I5-T9 WeakPolarHBondContact O-CB 3.41Å; I5-T9 PolarHBondContact O-N 3.26Å; I5-T9 PolarHBondContact O-OG1 2.99Å; T9-S12 PolarHBondContact O-N 2.88Å; T9-I13 HydrophobicContact CG2-CD1 3.9Å; T9-I13 WeakPolarHBondContact O-CB 3.35Å; T9-I13 WeakPolarHBondContact O-CD1 3.14Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 3.49Å; T9-I13 VanDerWaalsContact O-N 3.11Å
10	V	44.1	Very low	41.6	Very low	46 Å²	46	114.2 Å²	114.2	28%	0.279	60%	0.598	S	S	.	*	H	α-helix	trans	-62.7	-45.4	174.1	173.8	0	0	0	0	111.2	F6 I14 L198	F6-V10 HydrophobicContact CD1-CG2 4.28Å; F6-V10 HydrophobicContact CE1-CG2 4.16Å; F6-V10 WeakPolarHBondContact O-CB 3.19Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 3.13Å; V10-I14 HydrophobicContact CG1-CD1 4.11Å; V10-I14 WeakPolarHBondContact O-CD1 3.41Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-L198 HydrophobicContact CG2-CD2 4.33Å
11	C	37.3	Very low	41.6	Very low	60 Å²	60	116.8 Å²	116.8	41%	0.405	61%	0.607	S	S	.	*	H	α-helix	trans	-69.3	-34.9	179.1	-74.4	0	0	0	0	114	F7 F8	F7-C11 PolarHBondContact O-N 2.85Å; F8-C11 PolarHBondContact O-N 3.3Å
12	S	39.6	Very low	42.1	Very low	83 Å²	83	113.8 Å²	113.8	58%	0.58	59%	0.589	S	S	*	*	H	α-helix	trans	-76.8	-27.3	-179.7	-70.2	0	0	0	0	113.5	F8 T9 I14	F8-S12 VanDerWaalsContact O-CB 3.32Å; F8-S12 WeakPolarHBondContact O-CB 3.24Å; F8-S12 PolarHBondContact O-N 2.56Å; F8-S12 PolarHBondContact O-OG 3.11Å; T9-S12 PolarHBondContact O-N 2.88Å; S12-I14 VanDerWaalsContact C-N 3.29Å
13	I	42.5	Very low	42.1	Very low	52 Å²	52	109.8 Å²	109.8	27%	0.267	57%	0.569	S	S	.	*	H	α-helix	trans	-70.2	-28.5	174.6	-68.3	168.2	0	0	0	111.1	T9 S15 Y201 L202 V206	T9-I13 HydrophobicContact CG2-CD1 3.9Å; T9-I13 WeakPolarHBondContact O-CB 3.35Å; T9-I13 WeakPolarHBondContact O-CD1 3.14Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 3.49Å; T9-I13 VanDerWaalsContact O-N 3.11Å; I13-S15 VanDerWaalsContact C-N 3.26Å; I13-S15 PolarHBondContact O-N 3.23Å; I13-Y201 HydrophobicContact CG2-CE1 3.78Å; I13-L202 HydrophobicContact CD1-CD2 3.88Å; I13-L202 HydrophobicContact CG2-CD2 4.32Å; I13-V206 HydrophobicContact CG2-CG1 4.32Å; I13-V206 HydrophobicContact CG2-CG2 3.58Å
14	I	41.8	Very low	42.6	Very low	96 Å²	96	108.1 Å²	108.1	49%	0.492	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-11.2	-176.2	-65.8	163.8	0	0	0	113.4	V10 S12	V10-I14 HydrophobicContact CG1-CD1 4.11Å; V10-I14 WeakPolarHBondContact O-CD1 3.41Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; S12-I14 VanDerWaalsContact C-N 3.29Å
15	S	34.5	Very low	42.5	Very low	91 Å²	91	106.3 Å²	106.3	64%	0.636	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	25.5	-165.8	-64.8	0	0	0	0	117.2	I13	I13-S15 VanDerWaalsContact C-N 3.26Å; I13-S15 PolarHBondContact O-N 3.23Å
16	K	32.7	Very low	42.4	Very low	186 Å²	186	103.9 Å²	103.9	81%	0.809	58%	0.577	S	S	*	*			trans	-114.8	105.6	163.9	-79.2	-170.1	176.5	-178.3	0	110.7	L18	K16-L18 PolarHBondContact O-N 3.04Å
17	P	36.4	Very low	42.7	Very low	125 Å²	125	101 Å²	101	81%	0.812	57%	0.569	S	S	*	*			trans	-73.1	113.8	168.7	29.4	-28.4	0	0	0	107.9
18	L	35.2	Very low	43.3	Very low	122 Å²	122	95.1 Å²	95.1	64%	0.639	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-81.2	140.2	160.8	-158.4	81	0	0	0	106.2	K16 F913	K16-L18 PolarHBondContact O-N 3.04Å; L18-F913 WeakPolarHBondContact CB-OXT 3.49Å; L18-F913 VanDerWaalsContact O-OXT 3.09Å
19	A	36.2	Very low	44.1	Very low	86 Å²	86	89.9 Å²	89.9	71%	0.711	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-78.2	127.9	-170.5	0	0	0	0	0	110.6	E21	A19-E21 PolarHBondContact O-N 3.42Å; A19-E21 VanDerWaalsContact O-N 3.13Å
20	A	40.3	Very low	44.5	Very low	40 Å²	40	87.2 Å²	87.2	33%	0.331	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-55.1	118.3	169.4	0	0	0	0	0	110	K22	A20-K22 PolarHBondContact O-N 3.1Å
21	E	42.8	Very low	44.8	Very low	168 Å²	168	88 Å²	88	79%	0.785	52%	0.518	S	S	*	.			trans	-62.6	95.1	172.8	-86.2	-171.6	149.8	0	0	109.1	A19 P29	A19-E21 PolarHBondContact O-N 3.42Å; A19-E21 VanDerWaalsContact O-N 3.13Å; E21-P29 VanDerWaalsContact O-CD 3.24Å; E21-P29 WeakPolarHBondContact O-CD 3.48Å; E21-P29 WeakPolarHBondContact O-CG 3.5Å
22	K	45.6	Very low	45.4	Very low	129 Å²	129	90.4 Å²	90.4	56%	0.561	52%	0.524	S	S	*	.			trans	-67.2	134	151.5	-75	178	-179.2	168.3	0	106.4	A20	A20-K22 PolarHBondContact O-N 3.1Å
23	L	50	Low	46.1	Very low	62 Å²	62	90.3 Å²	90.3	33%	0.325	51%	0.511	S	S	.	.			trans	-52.7	152.4	167.7	-71.1	163	0	0	0	108.5	N25 G26 T27	L23-N25 PolarHBondContact O-N 3.02Å; L23-G26 PolarHBondContact O-N 3.36Å; L23-T27 WeakPolarHBondContact CB-O 3.48Å; L23-T27 WeakPolarHBondContact CD1-OG1 3.47Å; L23-T27 PolarHBondContact N-O 2.85Å; L23-T27 VanDerWaalsContact N-O 3.16Å
24	V	53.2	Low	46.9	Very low	151 Å²	151	90 Å²	90	92%	0.915	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-24.2	179.1	-178.9	0	0	0	0	112.7
25	N	46.7	Very low	47.9	Very low	145 Å²	145	92 Å²	92	78%	0.775	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.7	178.5	-61.3	-6.7	0	0	0	114.8	L23 T27	L23-N25 PolarHBondContact O-N 3.02Å; N25-T27 PolarHBondContact O-N 3.39Å
26	G	52.6	Low	49.5	Very low	51 Å²	51	90 Å²	90	53%	0.526	50%	0.502	S	S	.	.	S	Bend	trans	75.4	0.1	179.9	0	0	0	0	0	115.4	L23	L23-G26 PolarHBondContact O-N 3.36Å
27	T	53.2	Low	51.5	Low	67 Å²	67	87.3 Å²	87.3	41%	0.411	49%	0.488	S	S	.	.			trans	-80.1	136	176.9	46.1	0	0	0	0	111.4	L23 N25	L23-T27 WeakPolarHBondContact CB-O 3.48Å; L23-T27 WeakPolarHBondContact CD1-OG1 3.47Å; L23-T27 PolarHBondContact N-O 2.85Å; L23-T27 VanDerWaalsContact N-O 3.16Å; N25-T27 PolarHBondContact O-N 3.39Å
28	C	58.2	Low	53.5	Low	24 Å²	24	85.5 Å²	85.5	16%	0.162	47%	0.471	C	S	.	.			trans	-62.3	136.1	173.8	-175.6	0	0	0	0	110.4	S30 S31 C908	C28-S30 PolarHBondContact O-N 2.85Å; C28-S30 VanDerWaalsContact O-N 3.1Å; C28-S30 PolarHBondContact SG-OG 3.06Å; C28-S31 PolarHBondContact O-N 3.38Å; C28-S31 VanDerWaalsContact O-N 3.12Å; C28-S31 PolarHBondContact O-OG 3.03Å; C28-C908 HydrophobicContact CB-CB 3.61Å; C28-C908 WeakPolarHBondContact CB-SG 3.34Å; C28-C908 WeakPolarHBondContact SG-CB 3.21Å; C28-C908 CovalentContact SG-SG 2.02Å; C28-C908 PolarHBondContact SG-SG 3.15Å
29	P	58.5	Low	55.6	Low	36 Å²	36	80.7 Å²	80.7	23%	0.234	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.6	174.3	-23.6	32.6	0	0	0	113	E21 S31 Q32 R33	E21-P29 VanDerWaalsContact O-CD 3.24Å; E21-P29 WeakPolarHBondContact O-CD 3.48Å; E21-P29 WeakPolarHBondContact O-CG 3.5Å; P29-S31 PolarHBondContact O-N 3.28Å; P29-Q32 WeakPolarHBondContact O-CB 3.38Å; P29-Q32 PolarHBondContact O-N 2.94Å; P29-R33 PolarHBondContact O-N 2.87Å
30	S	54.3	Low	57.7	Low	12 Å²	12	80.7 Å²	80.7	8%	0.084	44%	0.438	C	S	.	.	H	α-helix	trans	-63.9	-20.9	179.4	68.5	0	0	0	0	114.2	C28 Q32 R33 T34 N906	C28-S30 PolarHBondContact O-N 2.85Å; C28-S30 VanDerWaalsContact O-N 3.1Å; C28-S30 PolarHBondContact SG-OG 3.06Å; S30-Q32 PolarHBondContact O-N 3.16Å; S30-R33 WeakPolarHBondContact O-CA 3.4Å; S30-R33 PolarHBondContact O-N 3.01Å; S30-T34 PolarHBondContact O-N 3.33Å; S30-T34 VanDerWaalsContact O-N 3.11Å; S30-N906 WeakPolarHBondContact CB-O 3.49Å; S30-N906 PolarHBondContact OG-O 3.43Å
31	S	48.7	Very low	59.8	Low	61 Å²	61	83.1 Å²	83.1	43%	0.427	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-25.7	170.6	66	0	0	0	0	113	C28 P29 T34	C28-S31 PolarHBondContact O-N 3.38Å; C28-S31 VanDerWaalsContact O-N 3.12Å; C28-S31 PolarHBondContact O-OG 3.03Å; P29-S31 PolarHBondContact O-N 3.28Å; S31-T34 PolarHBondContact O-OG1 3.49Å
32	Q	50.6	Low	61.9	Low	112 Å²	112	77 Å²	77	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-83.4	-28.3	168.1	-65.1	-176	-16.2	0	0	111.8	P29 S30 T34 F35	P29-Q32 WeakPolarHBondContact O-CB 3.38Å; P29-Q32 PolarHBondContact O-N 2.94Å; S30-Q32 PolarHBondContact O-N 3.16Å; Q32-T34 VanDerWaalsContact C-N 3.26Å; Q32-T34 PolarHBondContact O-N 3.41Å; Q32-F35 HydrophobicContact CB-CD2 4.36Å; Q32-F35 HydrophobicContact CB-CE2 4.31Å; Q32-F35 HydrophobicContact CG-CE2 4.37Å; Q32-F35 WeakPolarHBondContact O-CD2 3.49Å; Q32-F35 PolarHBondContact O-N 3.49Å
33	R	55.3	Low	63.7	Low	81 Å²	81	75.6 Å²	75.6	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-75	-11.9	178.1	-60.6	-171.9	-174.5	-176.3	6.3	114.4	P29 S30 F35 D147 S846	P29-R33 PolarHBondContact O-N 2.87Å; S30-R33 WeakPolarHBondContact O-CA 3.4Å; S30-R33 PolarHBondContact O-N 3.01Å; R33-F35 VanDerWaalsContact C-N 3.28Å; R33-D147 IonicContact NH1-OD2 3.44Å; R33-D147 PolarHBondContact NH1-OD2 3.15Å; R33-S846 PolarHBondContact NH1-OG 3.11Å
34	T	58.3	Low	65.2	Low	45 Å²	45	73.9 Å²	73.9	28%	0.276	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.5	171.8	48.9	0	0	0	0	113.8	S30 S31 Q32 C36 C767 T772	S30-T34 PolarHBondContact O-N 3.33Å; S30-T34 VanDerWaalsContact O-N 3.11Å; S31-T34 PolarHBondContact O-OG1 3.49Å; Q32-T34 VanDerWaalsContact C-N 3.26Å; Q32-T34 PolarHBondContact O-N 3.41Å; T34-C36 PolarHBondContact O-N 2.81Å; T34-C767 PolarHBondContact O-SG 3.19Å; T34-T772 HydrophobicContact CG2-CG2 4.3Å
35	F	62.7	Low	66.6	Low	138 Å²	138	72.4 Å²	72.4	61%	0.605	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67.3	124.4	172.6	-78.7	-63	0	0	0	110	Q32 R33 Y37	Q32-F35 HydrophobicContact CB-CD2 4.36Å; Q32-F35 HydrophobicContact CB-CE2 4.31Å; Q32-F35 HydrophobicContact CG-CE2 4.37Å; Q32-F35 WeakPolarHBondContact O-CD2 3.49Å; Q32-F35 PolarHBondContact O-N 3.49Å; R33-F35 VanDerWaalsContact C-N 3.28Å; F35-Y37 WeakPolarHBondContact O-CD2 3.35Å; F35-Y37 VanDerWaalsContact O-CE2 3.23Å; F35-Y37 WeakPolarHBondContact O-CE2 3.35Å; F35-Y37 PolarHBondContact O-N 3.38Å
36	C	69.3	Low	68.3	Low	48 Å²	48	73.8 Å²	73.8	32%	0.324	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-67.5	132.2	177	-45.4	0	0	0	0	109.5	T34 M44 C767	T34-C36 PolarHBondContact O-N 2.81Å; C36-M44 HydrophobicContact CB-CE 3.19Å; C36-M44 HydrophobicContact CB-SD 3.47Å; C36-M44 WeakPolarHBondContact CB-SD 3Å; C36-M44 VanDerWaalsContact O-CE 3.26Å; C36-M44 WeakPolarHBondContact O-CE 3.26Å; C36-C767 WeakPolarHBondContact CA-SG 3.37Å; C36-C767 HydrophobicContact CB-CB 3.85Å; C36-C767 WeakPolarHBondContact CB-SG 3.31Å; C36-C767 PolarHBondContact N-SG 2.9Å; C36-C767 VanDerWaalsContact N-SG 3.35Å; C36-C767 WeakPolarHBondContact SG-CB 3.1Å; C36-C767 CovalentContact SG-SG 2.01Å; C36-C767 PolarHBondContact SG-SG 2.87Å
37	Y	73.5	Confident	69.5	Low	130 Å²	130	75.3 Å²	75.3	51%	0.51	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-100.2	150.2	170.3	-56.3	-79.4	0	0	0	110.1	F35 M44	F35-Y37 WeakPolarHBondContact O-CD2 3.35Å; F35-Y37 VanDerWaalsContact O-CE2 3.23Å; F35-Y37 WeakPolarHBondContact O-CE2 3.35Å; F35-Y37 PolarHBondContact O-N 3.38Å; Y37-M44 WeakPolarHBondContact O-CE 2.95Å
38	D	77.9	Confident	70.2	Confident	87 Å²	87	75 Å²	75	47%	0.465	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.9	135	166.4	-84	-38.7	0	0	0	108.2	M44 R46	D38-M44 WeakPolarHBondContact OD1-CB 3.39Å; D38-M44 PolarHBondContact OD1-N 3.24Å; D38-R46 IonicContact OD2-NH2 3.87Å; D38-R46 PolarHBondContact OD2-NH2 3.09Å
39	G	80.1	Confident	70.8	Confident	22 Å²	22	79.4 Å²	79.4	23%	0.227	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.7	162.8	178.3	0	0	0	0	0	112.4	I41 V42 D760	G39-I41 VanDerWaalsContact C-N 3.33Å; G39-V42 VanDerWaalsContact CA-O 3.29Å; G39-V42 WeakPolarHBondContact CA-O 3.28Å; G39-V42 PolarHBondContact N-O 3.11Å; G39-D760 VanDerWaalsContact CA-CG 3.41Å; G39-D760 VanDerWaalsContact CA-OD1 3.24Å; G39-D760 WeakPolarHBondContact CA-OD1 3.43Å
40	I	80.6	Confident	71.7	Confident	85 Å²	85	82 Å²	82	44%	0.436	45%	0.447	S	S	.	.	S	Bend	trans	-64.7	-40.4	178.4	-59.4	167.3	0	0	0	110.4	I136 D760	I40-I136 HydrophobicContact CD1-CG2 4.1Å; I40-D760 PolarHBondContact N-OD1 2.7Å; I40-D760 PolarHBondContact N-OD2 3.2Å; I40-D760 VanDerWaalsContact N-OD2 3.13Å
41	I	84.4	Confident	72.8	Confident	91 Å²	91	82.9 Å²	82.9	47%	0.467	45%	0.451	S	S	.	.	S	Bend	trans	-115.9	-48.4	-178.5	-59.1	-179.5	0	0	0	110.5	G39 A756 V757 D760	G39-I41 VanDerWaalsContact C-N 3.33Å; I41-A756 HydrophobicContact CD1-CB 3.51Å; I41-A756 HydrophobicContact CG1-CB 4.35Å; I41-V757 HydrophobicContact CB-CG2 4.48Å; I41-V757 HydrophobicContact CD1-CG2 4.12Å; I41-V757 HydrophobicContact CG2-CG2 4.19Å; I41-D760 WeakPolarHBondContact CA-OD2 3.06Å; I41-D760 PolarHBondContact N-OD2 2.93Å
42	V	86.4	Confident	74.5	Confident	41 Å²	41	84 Å²	84	25%	0.248	46%	0.455	C	S	.	.	S	Bend	trans	-93.8	117.4	-174.1	-176.9	0	0	0	0	109.9	G39 V757 D760	G39-V42 VanDerWaalsContact CA-O 3.29Å; G39-V42 WeakPolarHBondContact CA-O 3.28Å; G39-V42 PolarHBondContact N-O 3.11Å; V42-V757 HydrophobicContact CG2-CG1 3.94Å; V42-V757 HydrophobicContact CG2-CG2 4.45Å; V42-D760 HydrophobicContact CB-CB 4Å; V42-D760 HydrophobicContact CG2-CB 4.41Å; V42-D760 PolarHBondContact N-OD2 3.45Å
43	P	84.1	Confident	76.1	Confident	98 Å²	98	84.7 Å²	84.7	64%	0.636	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-69.3	148.2	177.4	29.4	-34.5	0	0	0	110.9
44	M	80	Confident	77.5	Confident	27 Å²	27	82.9 Å²	82.9	13%	0.133	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-68.6	139	-179.8	-173	-162	-52.2	0	0	112	C36 Y37 D38 R46	C36-M44 HydrophobicContact CB-CE 3.19Å; C36-M44 HydrophobicContact CB-SD 3.47Å; C36-M44 WeakPolarHBondContact CB-SD 3Å; C36-M44 VanDerWaalsContact O-CE 3.26Å; C36-M44 WeakPolarHBondContact O-CE 3.26Å; Y37-M44 WeakPolarHBondContact O-CE 2.95Å; D38-M44 WeakPolarHBondContact OD1-CB 3.39Å; D38-M44 PolarHBondContact OD1-N 3.24Å; M44-R46 PolarHBondContact O-N 2.9Å; M44-R46 VanDerWaalsContact O-N 3.1Å
45	W	84.1	Confident	78.9	Confident	120 Å²	120	84.7 Å²	84.7	46%	0.455	48%	0.481	S	S	.	.			trans	-68.1	106.7	172	-171.5	-2.2	0	0	0	111.9	R59 V62 Y63	W45-R59 HydrophobicContact CD2-CG 4.05Å; W45-R59 HydrophobicContact CE3-CB 4.29Å; W45-R59 HydrophobicContact CE3-CG 3.61Å; W45-R59 HydrophobicContact CH2-CG 3.89Å; W45-R59 HydrophobicContact CZ2-CG 4.3Å; W45-R59 HydrophobicContact CZ3-CB 4.21Å; W45-R59 HydrophobicContact CZ3-CG 3.54Å; W45-R59 PolarHBondContact O-NH1 3Å; W45-V62 HydrophobicContact CZ3-CB 4.37Å; W45-V62 HydrophobicContact CZ3-CG1 4.37Å; W45-V62 HydrophobicContact CZ3-CG2 4.47Å; W45-Y63 WeakPolarHBondContact CB-OH 3.33Å; W45-Y63 PolarHBondContact N-OH 3.02Å
46	R	80.9	Confident	80	Confident	174 Å²	174	83 Å²	83	66%	0.657	47%	0.474	S	S	*	.	S	Bend	trans	-87.2	154.2	176.4	-63.6	-173	-178.3	-171.7	1	112.9	D38 M44	D38-R46 IonicContact OD2-NH2 3.87Å; D38-R46 PolarHBondContact OD2-NH2 3.09Å; M44-R46 PolarHBondContact O-N 2.9Å; M44-R46 VanDerWaalsContact O-N 3.1Å
47	P	79.8	Confident	80.8	Confident	82 Å²	82	83.1 Å²	83.1	53%	0.532	48%	0.479	S	S	.	.			cis	-73.7	156.3	-4.6	30.4	-35.8	0	0	0	111.9	I51 R59	P47-I51 HydrophobicContact CG-CG1 4.38Å; P47-I51 WeakPolarHBondContact O-CD1 3.38Å; P47-R59 PolarHBondContact O-NH1 2.69Å; P47-R59 PolarHBondContact O-NH2 3.49Å; P47-R59 VanDerWaalsContact O-NH2 3.08Å
48	S	67.1	Low	81.6	Confident	62 Å²	62	79.3 Å²	79.3	43%	0.434	47%	0.474	S	S	.	.			trans	-97.4	-26.9	177.7	54.9	0	0	0	0	113.5	I51	S48-I51 WeakPolarHBondContact O-CD1 3.45Å
49	T	71.6	Confident	82.2	Confident	116 Å²	116	76.4 Å²	76.4	71%	0.712	46%	0.456	S	S	*	.	S	Bend	trans	-114.6	146.5	-177.5	55.2	0	0	0	0	111.7
50	G	75.8	Confident	82.7	Confident	91 Å²	91	75.9 Å²	75.9	94%	0.938	45%	0.45	S	S	*	.	S	Bend	trans	82.8	20	176.2	0	0	0	0	0	115.6
51	I	77.7	Confident	83.3	Confident	30 Å²	30	77.3 Å²	77.3	15%	0.154	46%	0.457	C	S	.	.			trans	-91.4	147.6	-174.8	-51.4	164.6	0	0	0	111.1	P47 S48 D55 K56 R59	P47-I51 HydrophobicContact CG-CG1 4.38Å; P47-I51 WeakPolarHBondContact O-CD1 3.38Å; S48-I51 WeakPolarHBondContact O-CD1 3.45Å; I51-D55 HydrophobicContact CG2-CB 3.18Å; I51-K56 HydrophobicContact CB-CG 4.41Å; I51-K56 HydrophobicContact CG2-CG 4.25Å; I51-R59 VanDerWaalsContact CD1-NH1 3.34Å
52	T	85.4	Confident	83.8	Confident	84 Å²	84	76.5 Å²	76.5	52%	0.515	46%	0.456	S	S	.	.			trans	-65.3	157.6	174.8	73.2	0	0	0	0	112.1	G54 D55 K56	T52-G54 VanDerWaalsContact C-N 3.26Å; T52-G54 PolarHBondContact O-N 3.15Å; T52-D55 PolarHBondContact O-N 2.81Å; T52-D55 WeakPolarHBondContact OG1-CB 3.35Å; T52-D55 PolarHBondContact OG1-N 3.12Å; T52-D55 VanDerWaalsContact OG1-N 3.15Å; T52-D55 PolarHBondContact OG1-OD2 3.1Å; T52-K56 PolarHBondContact O-N 3.44Å; T52-K56 VanDerWaalsContact O-N 3.13Å
53	T	83	Confident	84.1	Confident	127 Å²	127	75.6 Å²	75.6	78%	0.779	45%	0.448	S	S	*	.	H	α-helix	trans	-61.5	-35.8	175.3	49.1	0	0	0	0	112.2	K56 A57	T53-K56 PolarHBondContact O-N 3.04Å; T53-A57 PolarHBondContact O-N 3.31Å
54	G	85.9	Confident	84.6	Confident	43 Å²	43	74.9 Å²	74.9	44%	0.443	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.8	0	0	0	0	0	112.7	T52 A57 A58	T52-G54 VanDerWaalsContact C-N 3.26Å; T52-G54 PolarHBondContact O-N 3.15Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A58 WeakPolarHBondContact O-CB 3.2Å; G54-A58 PolarHBondContact O-N 2.9Å
55	D	86.8	Confident	85.3	Confident	82 Å²	82	76.7 Å²	76.7	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-39.5	176.7	-68.4	-36.5	0	0	0	111.9	I51 T52 A57 A58 R59	I51-D55 HydrophobicContact CG2-CB 3.18Å; T52-D55 PolarHBondContact O-N 2.81Å; T52-D55 WeakPolarHBondContact OG1-CB 3.35Å; T52-D55 PolarHBondContact OG1-N 3.12Å; T52-D55 VanDerWaalsContact OG1-N 3.15Å; T52-D55 PolarHBondContact OG1-OD2 3.1Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.48Å; D55-A58 PolarHBondContact O-N 3.01Å; D55-R59 WeakPolarHBondContact O-CB 3.22Å; D55-R59 WeakPolarHBondContact O-CG 3.49Å; D55-R59 PolarHBondContact O-N 3.37Å
56	K	85.5	Confident	85.8	Confident	103 Å²	103	72.6 Å²	72.6	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-59.5	-45.5	173.4	-71.8	-175	-179.7	-171.3	0	111.5	I51 T52 T53 R59 A60	I51-K56 HydrophobicContact CB-CG 4.41Å; I51-K56 HydrophobicContact CG2-CG 4.25Å; T52-K56 PolarHBondContact O-N 3.44Å; T52-K56 VanDerWaalsContact O-N 3.13Å; T53-K56 PolarHBondContact O-N 3.04Å; K56-R59 PolarHBondContact O-N 3.06Å; K56-A60 WeakPolarHBondContact O-CB 3.45Å; K56-A60 PolarHBondContact O-N 2.02Å
57	A	87.5	Confident	86.5	Confident	51 Å²	51	64.3 Å²	64.3	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-44.4	177.5	0	0	0	0	0	111.8	T53 G54 D55 R59 A60 I61	T53-A57 PolarHBondContact O-N 3.31Å; G54-A57 PolarHBondContact O-N 2.97Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.48Å; A57-R59 VanDerWaalsContact C-N 3.35Å; A57-R59 PolarHBondContact O-N 3.49Å; A57-A60 PolarHBondContact O-N 3.32Å; A57-I61 VanDerWaalsContact O-CG1 3.3Å; A57-I61 WeakPolarHBondContact O-CG1 3.5Å; A57-I61 PolarHBondContact O-N 3.5Å
58	A	90.1	Very high	87.2	Confident	49 Å²	49	64.3 Å²	64.3	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-44.9	176.7	0	0	0	0	0	111.7	G54 D55 I61 V62	G54-A58 WeakPolarHBondContact O-CB 3.2Å; G54-A58 PolarHBondContact O-N 2.9Å; D55-A58 PolarHBondContact O-N 3.01Å; A58-I61 PolarHBondContact O-N 3.03Å; A58-V62 WeakPolarHBondContact O-CG2 3.19Å; A58-V62 PolarHBondContact O-N 3.4Å
59	R	90	Very high	88.5	Confident	26 Å²	26	65.3 Å²	65.3	10%	0.098	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.4	-71	179	178.5	-162.9	9.2	112.5	W45 P47 I51 D55 K56 A57 I61 V62 Y63	W45-R59 HydrophobicContact CD2-CG 4.05Å; W45-R59 HydrophobicContact CE3-CB 4.29Å; W45-R59 HydrophobicContact CE3-CG 3.61Å; W45-R59 HydrophobicContact CH2-CG 3.89Å; W45-R59 HydrophobicContact CZ2-CG 4.3Å; W45-R59 HydrophobicContact CZ3-CB 4.21Å; W45-R59 HydrophobicContact CZ3-CG 3.54Å; W45-R59 PolarHBondContact O-NH1 3Å; P47-R59 PolarHBondContact O-NH1 2.69Å; P47-R59 PolarHBondContact O-NH2 3.49Å; P47-R59 VanDerWaalsContact O-NH2 3.08Å; I51-R59 VanDerWaalsContact CD1-NH1 3.34Å; D55-R59 WeakPolarHBondContact O-CB 3.22Å; D55-R59 WeakPolarHBondContact O-CG 3.49Å; D55-R59 PolarHBondContact O-N 3.37Å; K56-R59 PolarHBondContact O-N 3.06Å; A57-R59 VanDerWaalsContact C-N 3.35Å; A57-R59 PolarHBondContact O-N 3.49Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.41Å; R59-V62 PolarHBondContact O-N 3.5Å; R59-Y63 HydrophobicContact CB-CE2 4.44Å; R59-Y63 WeakPolarHBondContact O-CD2 3.3Å; R59-Y63 PolarHBondContact O-N 2.9Å
60	A	90	Very high	89.7	Confident	11 Å²	11	60.6 Å²	60.6	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-41.6	177.3	0	0	0	0	0	111.7	K56 A57 Y63 F64 F765 I769	K56-A60 WeakPolarHBondContact O-CB 3.45Å; K56-A60 PolarHBondContact O-N 2.02Å; A57-A60 PolarHBondContact O-N 3.32Å; A60-Y63 PolarHBondContact O-N 3.19Å; A60-F64 WeakPolarHBondContact O-CB 3.18Å; A60-F64 PolarHBondContact O-N 3.28Å; A60-F765 HydrophobicContact CB-CE2 4.44Å; A60-F765 WeakPolarHBondContact O-CD2 3.41Å; A60-I769 HydrophobicContact CB-CD1 4.11Å; A60-I769 HydrophobicContact CB-CG1 3.7Å
61	I	93.3	Very high	90.6	Very high	116 Å²	116	56.6 Å²	56.6	60%	0.595	33%	0.327	S	S	*	.	H	α-helix	trans	-63.5	-45.1	176	-67.3	164.1	0	0	0	111	A57 A58 R59 F64 S65	A57-I61 VanDerWaalsContact O-CG1 3.3Å; A57-I61 WeakPolarHBondContact O-CG1 3.5Å; A57-I61 PolarHBondContact O-N 3.5Å; A58-I61 PolarHBondContact O-N 3.03Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.41Å; I61-F64 PolarHBondContact O-N 3.1Å; I61-S65 WeakPolarHBondContact O-CB 3.46Å; I61-S65 PolarHBondContact O-N 3.36Å; I61-S65 PolarHBondContact O-OG 2.84Å
62	V	94.6	Very high	91.3	Very high	73 Å²	73	57.5 Å²	57.5	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-49.7	176.8	173.2	0	0	0	0	111.3	W45 A58 R59 F64 S65 A66	W45-V62 HydrophobicContact CZ3-CB 4.37Å; W45-V62 HydrophobicContact CZ3-CG1 4.37Å; W45-V62 HydrophobicContact CZ3-CG2 4.47Å; A58-V62 WeakPolarHBondContact O-CG2 3.19Å; A58-V62 PolarHBondContact O-N 3.4Å; R59-V62 PolarHBondContact O-N 3.5Å; V62-F64 PolarHBondContact O-N 2.98Å; V62-S65 WeakPolarHBondContact CA-OG 3.17Å; V62-S65 PolarHBondContact O-N 3.31Å; V62-S65 PolarHBondContact O-OG 3.43Å; V62-A66 WeakPolarHBondContact O-CB 3.38Å; V62-A66 PolarHBondContact O-N 3.49Å
63	Y	93.8	Very high	91.7	Very high	22 Å²	22	53.5 Å²	53.5	9%	0.086	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-38.7	177.9	-70	-57.5	0	0	0	112.8	W45 R59 A60 A66 L67 V761	W45-Y63 WeakPolarHBondContact CB-OH 3.33Å; W45-Y63 PolarHBondContact N-OH 3.02Å; R59-Y63 HydrophobicContact CB-CE2 4.44Å; R59-Y63 WeakPolarHBondContact O-CD2 3.3Å; R59-Y63 PolarHBondContact O-N 2.9Å; A60-Y63 PolarHBondContact O-N 3.19Å; Y63-A66 PolarHBondContact O-N 3.05Å; Y63-L67 VanDerWaalsContact O-CB 3.22Å; Y63-L67 WeakPolarHBondContact O-CB 3.31Å; Y63-L67 PolarHBondContact O-N 2.83Å; Y63-V761 HydrophobicContact CD1-CG1 4.21Å
64	F	94.5	Very high	92.2	Very high	83 Å²	83	47.7 Å²	47.7	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-47.2	176.8	-176.3	-105.7	0	0	0	111.8	A60 I61 V62 A66 L67 M68 F765 F780	A60-F64 WeakPolarHBondContact O-CB 3.18Å; A60-F64 PolarHBondContact O-N 3.28Å; I61-F64 PolarHBondContact O-N 3.1Å; V62-F64 PolarHBondContact O-N 2.98Å; F64-A66 PolarHBondContact O-N 2.68Å; F64-L67 WeakPolarHBondContact O-CB 3.47Å; F64-L67 PolarHBondContact O-N 2.85Å; F64-M68 HydrophobicContact CD1-CG 4.34Å; F64-M68 HydrophobicContact CE1-CG 3.96Å; F64-M68 HydrophobicContact CE2-CG 4.39Å; F64-M68 HydrophobicContact CZ-CG 3.98Å; F64-M68 HydrophobicContact CZ-SD 4.18Å; F64-M68 WeakPolarHBondContact O-CG 3.42Å; F64-M68 PolarHBondContact O-N 3.24Å; F64-F765 HydrophobicContact CB-CD2 4.02Å; F64-F765 HydrophobicContact CB-CE2 3.62Å; F64-F765 HydrophobicContact CB-CZ 4.33Å; F64-F765 HydrophobicContact CD2-CE1 4.42Å; F64-F765 AromaticContact CD2-CE2 3.93Å; F64-F765 HydrophobicContact CD2-CE2 3.93Å; F64-F765 AromaticContact CD2-CZ 3.75Å; F64-F765 HydrophobicContact CD2-CZ 3.75Å; F64-F765 HydrophobicContact CG-CE2 4.18Å; F64-F765 HydrophobicContact CG-CZ 4.43Å; F64-F780 AromaticContact CE2-CD1 3.99Å; F64-F780 HydrophobicContact CE2-CD1 3.99Å; F64-F780 HydrophobicContact CE2-CE1 4.01Å
65	S	94.8	Very high	92.4	Very high	65 Å²	65	46.4 Å²	46.4	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-41.1	175.8	58.3	0	0	0	0	112.3	I61 V62 M68 Y69	I61-S65 WeakPolarHBondContact O-CB 3.46Å; I61-S65 PolarHBondContact O-N 3.36Å; I61-S65 PolarHBondContact O-OG 2.84Å; V62-S65 WeakPolarHBondContact CA-OG 3.17Å; V62-S65 PolarHBondContact O-N 3.31Å; V62-S65 PolarHBondContact O-OG 3.43Å; S65-M68 PolarHBondContact O-N 2.96Å; S65-Y69 WeakPolarHBondContact O-CB 3.37Å; S65-Y69 PolarHBondContact O-N 3.08Å
66	A	95.1	Very high	92.7	Very high	34 Å²	34	43 Å²	43	28%	0.281	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-43.3	173.7	0	0	0	0	0	111.6	V62 Y63 F64 Y69 L70 V761	V62-A66 WeakPolarHBondContact O-CB 3.38Å; V62-A66 PolarHBondContact O-N 3.49Å; Y63-A66 PolarHBondContact O-N 3.05Å; F64-A66 PolarHBondContact O-N 2.68Å; A66-Y69 PolarHBondContact O-N 3.44Å; A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 3.32Å; A66-V761 HydrophobicContact CB-CG1 4.27Å
67	L	95.2	Very high	93	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-47	177.8	-172.4	66.8	0	0	0	111.4	Y63 F64 Y69 L70 F71 I758 V761 A762 F780	Y63-L67 VanDerWaalsContact O-CB 3.22Å; Y63-L67 WeakPolarHBondContact O-CB 3.31Å; Y63-L67 PolarHBondContact O-N 2.83Å; F64-L67 WeakPolarHBondContact O-CB 3.47Å; F64-L67 PolarHBondContact O-N 2.85Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 3.44Å; L67-L70 PolarHBondContact O-N 2.97Å; L67-F71 HydrophobicContact CD1-CE1 4.37Å; L67-F71 HydrophobicContact CD1-CE2 3.96Å; L67-F71 HydrophobicContact CD1-CZ 3.69Å; L67-F71 HydrophobicContact CD2-CE2 3.88Å; L67-F71 HydrophobicContact CD2-CZ 4.13Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 3.45Å; L67-F71 VanDerWaalsContact CG-CE2 3.45Å; L67-F71 HydrophobicContact CG-CZ 3.72Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CG 3.46Å; L67-F71 PolarHBondContact O-N 3.18Å; L67-I758 HydrophobicContact CD1-CG2 3.93Å; L67-V761 HydrophobicContact CB-CG1 4.07Å; L67-V761 HydrophobicContact CD1-CG1 4.33Å; L67-A762 HydrophobicContact CD1-CB 4.14Å; L67-F780 HydrophobicContact CD2-CB 4.36Å
68	M	94	Very high	93.2	Very high	82 Å²	82	35.8 Å²	35.8	40%	0.404	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-40.3	174.7	-70.2	-58.4	-61.8	0	0	112.1	F64 S65 F71 L72	F64-M68 HydrophobicContact CD1-CG 4.34Å; F64-M68 HydrophobicContact CE1-CG 3.96Å; F64-M68 HydrophobicContact CE2-CG 4.39Å; F64-M68 HydrophobicContact CZ-CG 3.98Å; F64-M68 HydrophobicContact CZ-SD 4.18Å; F64-M68 WeakPolarHBondContact O-CG 3.42Å; F64-M68 PolarHBondContact O-N 3.24Å; S65-M68 PolarHBondContact O-N 2.96Å; M68-F71 PolarHBondContact O-N 3.32Å; M68-F71 HydrophobicContact SD-CD2 4.28Å; M68-L72 PolarHBondContact O-N 3.03Å
69	Y	95.2	Very high	93	Very high	83 Å²	83	34 Å²	34	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-66.8	-36.4	176.5	-170.7	-110.5	0	0	0	112.8	S65 A66 L67 L72 G73 L721 F724 W725	S65-Y69 WeakPolarHBondContact O-CB 3.37Å; S65-Y69 PolarHBondContact O-N 3.08Å; A66-Y69 PolarHBondContact O-N 3.44Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 3.44Å; Y69-L72 WeakPolarHBondContact O-CB 3.43Å; Y69-L72 PolarHBondContact O-N 3.11Å; Y69-G73 PolarHBondContact O-N 2.95Å; Y69-G73 VanDerWaalsContact O-N 3.16Å; Y69-L721 WeakPolarHBondContact CE2-O 3.27Å; Y69-F724 HydrophobicContact CE1-CD1 4.27Å; Y69-F724 WeakPolarHBondContact OH-CB 3.09Å; Y69-F724 VanDerWaalsContact OH-CD1 3.24Å; Y69-F724 WeakPolarHBondContact OH-CD1 3.04Å; Y69-W725 AromaticContact CD1-CZ2 3.89Å; Y69-W725 HydrophobicContact CD1-CZ2 3.89Å; Y69-W725 AromaticContact CD1-NE1 3.61Å; Y69-W725 AromaticContact CE1-CE2 3.61Å; Y69-W725 AromaticContact CE1-CZ2 3.7Å; Y69-W725 HydrophobicContact CE1-CZ2 3.7Å; Y69-W725 AromaticContact CE1-NE1 3.22Å; Y69-W725 AromaticContact CE2-NE1 3.7Å; Y69-W725 AromaticContact CZ-CD1 3.83Å; Y69-W725 AromaticContact CZ-NE1 3.27Å; Y69-W725 VanDerWaalsContact CZ-NE1 3.27Å; Y69-W725 PolarHBondContact O-NE1 3.09Å
70	L	95.7	Very high	93	Very high	17 Å²	17	34 Å²	34	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-37	174.7	-71.2	164.6	0	0	0	112.1	A66 L67 L72 G73 V74 W725 L754 V757 I758 V761	A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 2.97Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.92Å; L70-G73 CarbonylContact O-C 3.38Å; L70-G73 WeakPolarHBondContact O-CA 3.17Å; L70-G73 PolarHBondContact O-N 2.94Å; L70-G73 VanDerWaalsContact O-N 3.08Å; L70-V74 PolarHBondContact O-N 3.32Å; L70-W725 HydrophobicContact CD2-CH2 4.16Å; L70-W725 HydrophobicContact CD2-CZ2 4.16Å; L70-L754 HydrophobicContact CD2-CD2 4.3Å; L70-V757 HydrophobicContact CD1-CG1 3.78Å; L70-V757 HydrophobicContact CD2-CG1 4.02Å; L70-I758 HydrophobicContact CB-CD1 4.08Å; L70-I758 HydrophobicContact CB-CG1 3.61Å; L70-I758 HydrophobicContact CD1-CG1 4.1Å; L70-I758 HydrophobicContact CG-CG1 4.38Å; L70-V761 HydrophobicContact CD1-CB 4.28Å; L70-V761 HydrophobicContact CD1-CG1 4.47Å; L70-V761 HydrophobicContact CD1-CG2 4.01Å
71	F	94.6	Very high	93.1	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-35.3	173	-68.8	-43.3	0	0	0	112.3	L67 M68 G73 V74 S75 I758 T785	L67-F71 HydrophobicContact CD1-CE1 4.37Å; L67-F71 HydrophobicContact CD1-CE2 3.96Å; L67-F71 HydrophobicContact CD1-CZ 3.69Å; L67-F71 HydrophobicContact CD2-CE2 3.88Å; L67-F71 HydrophobicContact CD2-CZ 4.13Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 3.45Å; L67-F71 VanDerWaalsContact CG-CE2 3.45Å; L67-F71 HydrophobicContact CG-CZ 3.72Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CG 3.46Å; L67-F71 PolarHBondContact O-N 3.18Å; M68-F71 PolarHBondContact O-N 3.32Å; M68-F71 HydrophobicContact SD-CD2 4.28Å; F71-G73 VanDerWaalsContact C-N 3.35Å; F71-V74 PolarHBondContact O-N 3.36Å; F71-S75 WeakPolarHBondContact O-CB 3.04Å; F71-S75 PolarHBondContact O-N 3.47Å; F71-S75 PolarHBondContact O-OG 3.31Å; F71-I758 HydrophobicContact CD1-CD1 3.95Å; F71-I758 HydrophobicContact CE1-CD1 4.07Å; F71-I758 HydrophobicContact CE1-CG2 3.76Å; F71-I758 HydrophobicContact CZ-CG2 4.23Å; F71-T785 HydrophobicContact CE1-CG2 4.18Å
72	L	92.1	Very high	92.9	Very high	48 Å²	48	28 Å²	28	25%	0.251	15%	0.148	S	C	.	.	H	α-helix	trans	-61.4	-44.8	169.7	-68.7	172.9	0	0	0	111.1	M68 Y69 L70 S75 I76 M718	M68-L72 PolarHBondContact O-N 3.03Å; Y69-L72 WeakPolarHBondContact O-CB 3.43Å; Y69-L72 PolarHBondContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.92Å; L72-S75 WeakPolarHBondContact O-CB 3.09Å; L72-S75 PolarHBondContact O-N 3.05Å; L72-I76 WeakPolarHBondContact O-CD1 3.41Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 3.47Å; L72-I76 VanDerWaalsContact O-N 3.13Å; L72-M718 HydrophobicContact CD2-CE 4.32Å
73	G	94.4	Very high	92.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-53.1	174.3	0	0	0	0	0	112.5	Y69 L70 F71 S75 I76 I77 F729	Y69-G73 PolarHBondContact O-N 2.95Å; Y69-G73 VanDerWaalsContact O-N 3.16Å; L70-G73 CarbonylContact O-C 3.38Å; L70-G73 WeakPolarHBondContact O-CA 3.17Å; L70-G73 PolarHBondContact O-N 2.94Å; L70-G73 VanDerWaalsContact O-N 3.08Å; F71-G73 VanDerWaalsContact C-N 3.35Å; G73-S75 VanDerWaalsContact C-N 3.29Å; G73-S75 PolarHBondContact O-N 3.18Å; G73-I76 PolarHBondContact O-N 3.03Å; G73-I76 VanDerWaalsContact O-N 3.17Å; G73-I77 PolarHBondContact O-N 2.72Å; G73-I77 VanDerWaalsContact O-N 3.08Å; G73-F729 VanDerWaalsContact O-CE2 3.24Å; G73-F729 WeakPolarHBondContact O-CE2 3.21Å
74	V	93.5	Very high	92.5	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-40	177.8	170.2	0	0	0	0	111.9	L70 F71 I76 I77 A78 P129 L754 I758	L70-V74 PolarHBondContact O-N 3.32Å; F71-V74 PolarHBondContact O-N 3.36Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.08Å; V74-I77 VanDerWaalsContact O-CG2 3.3Å; V74-I77 WeakPolarHBondContact O-CG2 3.44Å; V74-I77 PolarHBondContact O-N 2.76Å; V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.17Å; V74-P129 HydrophobicContact CG1-CB 4.11Å; V74-P129 HydrophobicContact CG1-CG 3.54Å; V74-L754 HydrophobicContact CG2-CB 3.79Å; V74-L754 HydrophobicContact CG2-CD1 4.3Å; V74-I758 HydrophobicContact CB-CD1 4.3Å; V74-I758 HydrophobicContact CG2-CD1 3.36Å
75	S	90.5	Very high	92.3	Very high	16 Å²	16	19.8 Å²	19.8	11%	0.112	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177.6	-59.1	0	0	0	0	112	F71 L72 G73 D79 T336 P788	F71-S75 WeakPolarHBondContact O-CB 3.04Å; F71-S75 PolarHBondContact O-N 3.47Å; F71-S75 PolarHBondContact O-OG 3.31Å; L72-S75 WeakPolarHBondContact O-CB 3.09Å; L72-S75 PolarHBondContact O-N 3.05Å; G73-S75 VanDerWaalsContact C-N 3.29Å; G73-S75 PolarHBondContact O-N 3.18Å; S75-D79 PolarHBondContact O-N 3.45Å; S75-T336 WeakPolarHBondContact O-CG2 3.48Å; S75-P788 WeakPolarHBondContact OG-CG 3.48Å
76	I	91.8	Very high	91.8	Very high	11 Å²	11	17.4 Å²	17.4	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-73.5	-42.1	-178.4	-60.7	158.3	0	0	0	111.5	L72 G73 V74 A78 D79 R80 T340 T722 W725 K726 F729	L72-I76 WeakPolarHBondContact O-CD1 3.41Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 3.47Å; L72-I76 VanDerWaalsContact O-N 3.13Å; G73-I76 PolarHBondContact O-N 3.03Å; G73-I76 VanDerWaalsContact O-N 3.17Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 3.08Å; I76-A78 VanDerWaalsContact C-N 3.29Å; I76-A78 PolarHBondContact O-N 3.03Å; I76-D79 WeakPolarHBondContact O-CB 3.44Å; I76-D79 PolarHBondContact O-N 3.47Å; I76-R80 PolarHBondContact O-N 3.4Å; I76-T340 HydrophobicContact CD1-CG2 4.34Å; I76-T340 HydrophobicContact CG1-CG2 3.83Å; I76-T722 HydrophobicContact CD1-CG2 3.92Å; I76-W725 HydrophobicContact CD1-CB 3.54Å; I76-W725 HydrophobicContact CD1-CG 4.26Å; I76-K726 HydrophobicContact CG2-CG 4.32Å; I76-F729 HydrophobicContact CB-CD2 4.07Å; I76-F729 HydrophobicContact CB-CE2 4.18Å; I76-F729 HydrophobicContact CG2-CD2 3.77Å; I76-F729 HydrophobicContact CG2-CE2 4.37Å
77	I	93.7	Very high	91.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.6	-31.2	176.2	-172.3	64.7	0	0	0	111.3	G73 V74 D79 R80 F81 F729 V732 C747 V750 I751 L754	G73-I77 PolarHBondContact O-N 2.72Å; G73-I77 VanDerWaalsContact O-N 3.08Å; V74-I77 VanDerWaalsContact O-CG2 3.3Å; V74-I77 WeakPolarHBondContact O-CG2 3.44Å; V74-I77 PolarHBondContact O-N 2.76Å; I77-D79 VanDerWaalsContact C-N 3.28Å; I77-D79 PolarHBondContact O-N 3.35Å; I77-R80 HydrophobicContact CD1-CB 4.39Å; I77-R80 PolarHBondContact O-N 3Å; I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 3.37Å; I77-F729 HydrophobicContact CB-CD1 4.39Å; I77-F729 HydrophobicContact CB-CD2 3.93Å; I77-F729 HydrophobicContact CB-CE1 4.29Å; I77-F729 HydrophobicContact CB-CE2 3.82Å; I77-F729 HydrophobicContact CB-CG 4.24Å; I77-F729 HydrophobicContact CB-CZ 4.01Å; I77-F729 HydrophobicContact CD1-CB 4.22Å; I77-F729 HydrophobicContact CD1-CD1 3.96Å; I77-F729 HydrophobicContact CD1-CD2 4.48Å; I77-F729 HydrophobicContact CD1-CE1 4.5Å; I77-F729 HydrophobicContact CD1-CG 3.96Å; I77-F729 HydrophobicContact CG2-CE2 4.4Å; I77-F729 HydrophobicContact CG2-CZ 4.4Å; I77-V732 HydrophobicContact CD1-CG2 3.89Å; I77-C747 HydrophobicContact CD1-CB 4.5Å; I77-V750 HydrophobicContact CD1-CB 4.35Å; I77-V750 HydrophobicContact CD1-CG1 4.11Å; I77-V750 HydrophobicContact CG1-CB 4.19Å; I77-V750 HydrophobicContact CG1-CG1 3.87Å; I77-I751 HydrophobicContact CB-CG1 4.39Å; I77-I751 HydrophobicContact CG1-CG1 3.94Å; I77-I751 HydrophobicContact CG2-CD1 4.47Å; I77-I751 HydrophobicContact CG2-CG1 3.59Å; I77-L754 HydrophobicContact CG2-CD1 3.9Å
78	A	89.7	Confident	91	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-32.6	173.8	0	0	0	0	0	112.2	V74 I76 F81 M82	V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.17Å; I76-A78 VanDerWaalsContact C-N 3.29Å; I76-A78 PolarHBondContact O-N 3.03Å; A78-F81 PolarHBondContact O-N 2.96Å; A78-M82 VanDerWaalsContact O-CG 3.27Å; A78-M82 WeakPolarHBondContact O-CG 3.49Å; A78-M82 PolarHBondContact O-N 2.95Å
79	D	87	Confident	90.5	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.064	7%	0.065	C	C	.	.	H	α-helix	trans	-58.4	-49.7	170.6	175	58.8	0	0	0	111.3	S75 I76 I77 F81 M82 A83 M333 T336 R337	S75-D79 PolarHBondContact O-N 3.45Å; I76-D79 WeakPolarHBondContact O-CB 3.44Å; I76-D79 PolarHBondContact O-N 3.47Å; I77-D79 VanDerWaalsContact C-N 3.28Å; I77-D79 PolarHBondContact O-N 3.35Å; D79-F81 VanDerWaalsContact C-N 3.31Å; D79-F81 PolarHBondContact O-N 3.31Å; D79-M82 PolarHBondContact O-N 3.41Å; D79-A83 PolarHBondContact O-N 2.86Å; D79-M333 WeakPolarHBondContact OD1-CA 3.23Å; D79-M333 WeakPolarHBondContact OD1-CB 3.24Å; D79-M333 WeakPolarHBondContact OD1-CG 3.31Å; D79-T336 HydrophobicContact CB-CG2 3.85Å; D79-R337 IonicContact OD2-NE 3.27Å
80	R	89.7	Confident	89.7	Confident	25 Å²	25	9.9 Å²	9.9	9%	0.094	5%	0.054	C	C	.	.	H	α-helix	trans	-63.6	-38.1	176.8	-66.8	-73.5	167.4	173.7	-10.8	112.3	I76 I77 A83 A84 T683 E692	I76-R80 PolarHBondContact O-N 3.4Å; I77-R80 HydrophobicContact CD1-CB 4.39Å; I77-R80 PolarHBondContact O-N 3Å; R80-A83 PolarHBondContact O-N 2.77Å; R80-A84 PolarHBondContact O-N 3.48Å; R80-T683 VanDerWaalsContact NH1-CG2 3.33Å; R80-E692 IonicContact CZ-OE2 3.42Å; R80-E692 IonicContact NH1-OE2 2.83Å; R80-E692 IonicContact NH2-OE2 3.53Å; R80-E692 PolarHBondContact NH2-OE2 3.45Å
81	F	92.5	Very high	88.9	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-43.7	176	-174.8	-133.5	0	0	0	112	I77 A78 D79 A84 I85 G125 A128 F744 C747 I748 I751	I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 3.37Å; A78-F81 PolarHBondContact O-N 2.96Å; D79-F81 VanDerWaalsContact C-N 3.31Å; D79-F81 PolarHBondContact O-N 3.31Å; F81-A84 WeakPolarHBondContact O-CB 3.45Å; F81-A84 PolarHBondContact O-N 2.94Å; F81-I85 HydrophobicContact CD1-CD1 3.96Å; F81-I85 HydrophobicContact CD2-CD1 4.28Å; F81-I85 HydrophobicContact CE1-CD1 3.75Å; F81-I85 HydrophobicContact CE2-CD1 4.06Å; F81-I85 HydrophobicContact CE2-CG1 4.39Å; F81-I85 HydrophobicContact CG-CD1 4.23Å; F81-I85 HydrophobicContact CZ-CD1 3.79Å; F81-I85 WeakPolarHBondContact O-CG1 3.24Å; F81-I85 PolarHBondContact O-N 2.85Å; F81-G125 VanDerWaalsContact CE1-CA 3.49Å; F81-A128 HydrophobicContact CD1-CB 4.25Å; F81-A128 HydrophobicContact CE1-CB 3.68Å; F81-F744 HydrophobicContact CD2-CD2 4.08Å; F81-F744 HydrophobicContact CD2-CE2 4.46Å; F81-F744 AromaticContact CE2-CD2 3.33Å; F81-F744 HydrophobicContact CE2-CD2 3.33Å; F81-F744 AromaticContact CE2-CE2 3.36Å; F81-F744 HydrophobicContact CE2-CE2 3.36Å; F81-F744 HydrophobicContact CE2-CG 4.01Å; F81-F744 HydrophobicContact CE2-CZ 4.09Å; F81-F744 HydrophobicContact CZ-CD2 4.11Å; F81-F744 AromaticContact CZ-CE2 3.67Å; F81-F744 HydrophobicContact CZ-CE2 3.67Å; F81-F744 HydrophobicContact CZ-CZ 4.25Å; F81-C747 HydrophobicContact CB-CB 3.87Å; F81-C747 HydrophobicContact CD2-CB 3.65Å; F81-C747 HydrophobicContact CG-CB 4.12Å; F81-I748 HydrophobicContact CD2-CG1 4.25Å; F81-I748 HydrophobicContact CE2-CD1 3.79Å; F81-I748 HydrophobicContact CE2-CG1 3.4Å; F81-I748 VanDerWaalsContact CE2-CG1 3.4Å; F81-I748 HydrophobicContact CZ-CD1 3.86Å; F81-I748 HydrophobicContact CZ-CG1 3.61Å; F81-I751 HydrophobicContact CB-CD1 3.92Å; F81-I751 HydrophobicContact CD1-CD1 3.83Å; F81-I751 HydrophobicContact CE1-CD1 4.5Å; F81-I751 HydrophobicContact CG-CD1 3.89Å
82	M	89.2	Confident	87.8	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.4	-36.8	175.6	-69	-59.5	-100.4	0	0	112.4	A78 D79 A84 I85 E86 M122 G125 A329 R332 M333	A78-M82 VanDerWaalsContact O-CG 3.27Å; A78-M82 WeakPolarHBondContact O-CG 3.49Å; A78-M82 PolarHBondContact O-N 2.95Å; D79-M82 PolarHBondContact O-N 3.41Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.19Å; M82-I85 PolarHBondContact O-N 3.38Å; M82-I85 HydrophobicContact SD-CD1 4Å; M82-E86 WeakPolarHBondContact O-CB 2.97Å; M82-E86 PolarHBondContact O-N 3.39Å; M82-M122 HydrophobicContact CE-SD 4.44Å; M82-G125 VanDerWaalsContact SD-C 3.59Å; M82-G125 WeakPolarHBondContact SD-CA 3.38Å; M82-A329 HydrophobicContact CB-CB 4.3Å; M82-R332 HydrophobicContact CE-CB 4.34Å; M82-R332 VanDerWaalsContact CE-CD 3.44Å; M82-R332 HydrophobicContact CE-CG 4.44Å; M82-R332 HydrophobicContact CG-CG 4.2Å; M82-R332 PolarHBondContact SD-NH1 2.89Å; M82-M333 HydrophobicContact CB-CG 4.2Å
83	A	88.4	Confident	86.9	Confident	7 Å²	7	19.3 Å²	19.3	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-41.4	173.2	0	0	0	0	0	111.7	D79 R80 E86 V87 M333 V681 T735	D79-A83 PolarHBondContact O-N 2.86Å; R80-A83 PolarHBondContact O-N 2.77Å; A83-E86 PolarHBondContact O-N 3.44Å; A83-V87 WeakPolarHBondContact O-CG2 3.29Å; A83-V87 PolarHBondContact O-N 3.08Å; A83-V87 VanDerWaalsContact O-N 3.14Å; A83-M333 VanDerWaalsContact CA-SD 3.57Å; A83-M333 HydrophobicContact CB-SD 3.57Å; A83-M333 VanDerWaalsContact CB-SD 3.57Å; A83-V681 HydrophobicContact CB-CG1 4.26Å; A83-T735 HydrophobicContact CB-CG2 4.09Å
84	A	91.1	Very high	85.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-44	175.6	0	0	0	0	0	112.1	R80 F81 M82 E86 V87 I88 T735 C743 F744	R80-A84 PolarHBondContact O-N 3.48Å; F81-A84 WeakPolarHBondContact O-CB 3.45Å; F81-A84 PolarHBondContact O-N 2.94Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.19Å; A84-E86 VanDerWaalsContact C-N 3.33Å; A84-E86 PolarHBondContact O-N 3.22Å; A84-V87 PolarHBondContact O-N 3.16Å; A84-I88 VanDerWaalsContact O-CG1 3.28Å; A84-I88 WeakPolarHBondContact O-CG1 3.49Å; A84-I88 PolarHBondContact O-N 3.15Å; A84-T735 HydrophobicContact CB-CG2 4.34Å; A84-C743 HydrophobicContact CB-CB 3.92Å; A84-F744 HydrophobicContact CB-CB 4.09Å
85	I	89.4	Confident	84.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.9	-68.4	160.6	0	0	0	111.2	F81 M82 V87 I88 T89 L121 M122 F744	F81-I85 HydrophobicContact CD1-CD1 3.96Å; F81-I85 HydrophobicContact CD2-CD1 4.28Å; F81-I85 HydrophobicContact CE1-CD1 3.75Å; F81-I85 HydrophobicContact CE2-CD1 4.06Å; F81-I85 HydrophobicContact CE2-CG1 4.39Å; F81-I85 HydrophobicContact CG-CD1 4.23Å; F81-I85 HydrophobicContact CZ-CD1 3.79Å; F81-I85 WeakPolarHBondContact O-CG1 3.24Å; F81-I85 PolarHBondContact O-N 2.85Å; M82-I85 PolarHBondContact O-N 3.38Å; M82-I85 HydrophobicContact SD-CD1 4Å; I85-V87 PolarHBondContact O-N 3.01Å; I85-I88 PolarHBondContact O-N 3.3Å; I85-T89 HydrophobicContact CG2-CG2 4.05Å; I85-T89 WeakPolarHBondContact O-CB 3.38Å; I85-T89 VanDerWaalsContact O-CG2 3.31Å; I85-T89 WeakPolarHBondContact O-CG2 3.05Å; I85-T89 PolarHBondContact O-N 3.13Å; I85-T89 PolarHBondContact O-OG1 2.92Å; I85-L121 VanDerWaalsContact CD1-O 3.3Å; I85-L121 WeakPolarHBondContact CD1-O 3.29Å; I85-L121 HydrophobicContact CG2-CB 3.68Å; I85-M122 HydrophobicContact CG2-CE 3.78Å; I85-M122 HydrophobicContact CG2-CG 4.12Å; I85-M122 HydrophobicContact CG2-SD 3.57Å; I85-M122 VanDerWaalsContact CG2-SD 3.57Å; I85-F744 HydrophobicContact CD1-CE2 4.38Å; I85-F744 HydrophobicContact CG1-CD2 3.84Å; I85-F744 HydrophobicContact CG1-CE2 3.87Å
86	E	86	Confident	83.2	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-47.7	176.6	-174	67.7	176.6	0	0	110.9	M82 A83 A84 I88 T89 S90 M122 S327 A329 V681	M82-E86 WeakPolarHBondContact O-CB 2.97Å; M82-E86 PolarHBondContact O-N 3.39Å; A83-E86 PolarHBondContact O-N 3.44Å; A84-E86 VanDerWaalsContact C-N 3.33Å; A84-E86 PolarHBondContact O-N 3.22Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.26Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.44Å; E86-S90 WeakPolarHBondContact O-CB 3.41Å; E86-S90 PolarHBondContact O-N 3.41Å; E86-S90 PolarHBondContact O-OG 3.43Å; E86-M122 WeakPolarHBondContact OE2-CE 3.24Å; E86-S327 WeakPolarHBondContact OE1-CB 3.45Å; E86-S327 PolarHBondContact OE1-OG 2.85Å; E86-S327 WeakPolarHBondContact OE2-CB 3.32Å; E86-S327 PolarHBondContact OE2-OG 3.29Å; E86-A329 HydrophobicContact CB-CB 3.77Å; E86-A329 HydrophobicContact CG-CB 4.24Å; E86-A329 VanDerWaalsContact OE2-CB 3.26Å; E86-A329 WeakPolarHBondContact OE2-CB 3.46Å; E86-V681 HydrophobicContact CB-CG1 4.25Å; E86-V681 HydrophobicContact CG-CB 4.33Å; E86-V681 HydrophobicContact CG-CG1 4.15Å; E86-V681 HydrophobicContact CG-CG2 4.33Å
87	V	85.2	Confident	81.7	Confident	19 Å²	19	35.1 Å²	35.1	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-38.1	177.9	174.1	0	0	0	0	112	A83 A84 I85 S90	A83-V87 WeakPolarHBondContact O-CG2 3.29Å; A83-V87 PolarHBondContact O-N 3.08Å; A83-V87 VanDerWaalsContact O-N 3.14Å; A84-V87 PolarHBondContact O-N 3.16Å; I85-V87 PolarHBondContact O-N 3.01Å; V87-S90 PolarHBondContact O-OG 2.9Å
88	I	87.7	Confident	80.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-42.7	177.6	-68.7	164.3	0	0	0	111.5	A84 I85 E86 Q91 W112 L121 G739 W741 F744	A84-I88 VanDerWaalsContact O-CG1 3.28Å; A84-I88 WeakPolarHBondContact O-CG1 3.49Å; A84-I88 PolarHBondContact O-N 3.15Å; I85-I88 PolarHBondContact O-N 3.3Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.26Å; I88-Q91 WeakPolarHBondContact O-CG 3.11Å; I88-W112 PolarHBondContact O-NE1 3.35Å; I88-L121 HydrophobicContact CG2-CD1 3.84Å; I88-G739 WeakPolarHBondContact CG1-O 3.27Å; I88-W741 HydrophobicContact CD1-CD2 3.91Å; I88-W741 HydrophobicContact CD1-CE3 4.07Å; I88-W741 HydrophobicContact CD1-CG 4.28Å; I88-W741 HydrophobicContact CD1-CZ3 4.43Å; I88-W741 HydrophobicContact CG1-CD2 4.35Å; I88-W741 HydrophobicContact CG1-CG 4.45Å; I88-W741 HydrophobicContact CG2-CH2 4.37Å; I88-W741 HydrophobicContact CG2-CZ2 3.73Å; I88-F744 HydrophobicContact CD1-CB 3.78Å; I88-F744 HydrophobicContact CD1-CD2 3.96Å; I88-F744 HydrophobicContact CD1-CG 3.97Å
89	T	83.2	Confident	78.3	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-82.4	-20.7	-173.5	54.7	0	0	0	0	113.3	I85 E86 Q91 L121 M122	I85-T89 HydrophobicContact CG2-CG2 4.05Å; I85-T89 WeakPolarHBondContact O-CB 3.38Å; I85-T89 VanDerWaalsContact O-CG2 3.31Å; I85-T89 WeakPolarHBondContact O-CG2 3.05Å; I85-T89 PolarHBondContact O-N 3.13Å; I85-T89 PolarHBondContact O-OG1 2.92Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.44Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; T89-L121 HydrophobicContact CG2-CB 4.18Å; T89-L121 HydrophobicContact CG2-CD1 3.92Å; T89-M122 HydrophobicContact CG2-CE 4.39Å; T89-M122 VanDerWaalsContact OG1-CE 3.25Å; T89-M122 WeakPolarHBondContact OG1-CE 3.47Å
90	S	79.1	Confident	76.5	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.098	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.3	178	59.3	0	0	0	0	114.6	E86 V87 E92 A678	E86-S90 WeakPolarHBondContact O-CB 3.41Å; E86-S90 PolarHBondContact O-N 3.41Å; E86-S90 PolarHBondContact O-OG 3.43Å; V87-S90 PolarHBondContact O-OG 2.9Å; S90-E92 PolarHBondContact O-N 3.43Å; S90-A678 WeakPolarHBondContact OG-CB 3.41Å
91	Q	77.9	Confident	74.6	Confident	65 Å²	65	61.4 Å²	61.4	30%	0.304	29%	0.294	S	S	.	.			trans	-60.2	134	174.2	-66.5	-178.9	2.7	0	0	111.1	I88 T89 I111 G739	I88-Q91 WeakPolarHBondContact O-CG 3.11Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-I111 HydrophobicContact CB-CD1 3.83Å; Q91-I111 HydrophobicContact CB-CG1 4.46Å; Q91-I111 WeakPolarHBondContact O-CG1 3.4Å; Q91-I111 PolarHBondContact O-N 3.48Å; Q91-G739 PolarHBondContact NE2-O 2.96Å
92	E	71.4	Confident	72.8	Confident	68 Å²	68	63.3 Å²	63.3	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.8	179.2	-66.5	177.1	-168.8	0	0	110.8	S90 S108 V109 R110 T676	S90-E92 PolarHBondContact O-N 3.43Å; E92-S108 WeakPolarHBondContact OE2-CB 3.48Å; E92-S108 PolarHBondContact OE2-OG 3.09Å; E92-V109 CarbonylContact C-O 3.57Å; E92-V109 VanDerWaalsContact CA-O 3.32Å; E92-V109 WeakPolarHBondContact CA-O 3.49Å; E92-R110 HydrophobicContact CG-CG 4.09Å; E92-T676 WeakPolarHBondContact OE1-CG2 3.35Å; E92-T676 PolarHBondContact OE1-OG1 2.95Å
93	K	72.8	Confident	71.2	Confident	138 Å²	138	69 Å²	69	60%	0.6	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.7	174.6	-178.4	178.1	-179.4	-177.6	0	108.5	V95 V109 I111	K93-V95 PolarHBondContact O-N 3.05Å; K93-V109 PolarHBondContact N-O 3.49Å; K93-V109 PolarHBondContact O-N 3.43Å; K93-I111 HydrophobicContact CB-CD1 4.47Å; K93-I111 HydrophobicContact CB-CG1 3.98Å
94	E	70.1	Confident	69.8	Low	156 Å²	156	73.7 Å²	73.7	73%	0.729	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.7	171.6	-66.2	178.3	-176.7	0	0	110
95	V	67.7	Low	68.1	Low	58 Å²	58	76.3 Å²	76.3	35%	0.352	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.8	174.8	-177	0	0	0	0	108	K93 L97 I107 V109	K93-V95 PolarHBondContact O-N 3.05Å; V95-L97 HydrophobicContact CG1-CD2 4.43Å; V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.28Å; V95-I107 PolarHBondContact N-O 2.77Å; V95-I107 PolarHBondContact O-N 3.47Å; V95-V109 HydrophobicContact CG2-CG2 4.41Å
96	T	63.8	Low	66.7	Low	102 Å²	102	80.5 Å²	80.5	63%	0.626	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	106.1	172.6	52	0	0	0	0	109.3	T106	T96-T106 HydrophobicContact CG2-CG2 3.64Å
97	L	60.9	Low	65.5	Low	47 Å²	47	81 Å²	81	25%	0.246	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.6	171.8	-69.6	166.5	0	0	0	109.4	V95 T104 Q105 I107	V95-L97 HydrophobicContact CG1-CD2 4.43Å; V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.28Å; L97-T104 WeakPolarHBondContact O-CA 3.21Å; L97-Q105 PolarHBondContact N-O 3.47Å; L97-Q105 PolarHBondContact O-N 3.07Å; L97-I107 HydrophobicContact CD1-CB 4.41Å; L97-I107 HydrophobicContact CD1-CD1 3.56Å; L97-I107 HydrophobicContact CD1-CG1 4.01Å
98	R	59.6	Low	64.5	Low	201 Å²	201	83.2 Å²	83.2	76%	0.758	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.7	175.3	-167.5	174.1	-175.4	-176.7	-0.7	108.7	T104	R98-T104 HydrophobicContact CG-CG2 4.42Å
99	K	52.1	Low	63.4	Low	55 Å²	55	85.6 Å²	85.6	24%	0.239	44%	0.44	C	S	.	.			trans	-67.6	161.8	177	-73.9	-166.2	169.6	-172	0	111.4	N101 G102 E103 Q105 E283	K99-N101 PolarHBondContact O-N 3.37Å; K99-G102 PolarHBondContact O-N 2.65Å; K99-E103 WeakPolarHBondContact CB-O 3.43Å; K99-E103 PolarHBondContact N-O 3.02Å; K99-Q105 HydrophobicContact CD-CG 4.29Å; K99-Q105 VanDerWaalsContact NZ-CD 3.28Å; K99-Q105 VanDerWaalsContact NZ-OE1 3.14Å; K99-E283 WeakPolarHBondContact CE-OE1 3.23Å; K99-E283 IonicContact NZ-OE1 2.71Å; K99-E283 PolarHBondContact NZ-OE1 3.4Å
100	K	48.5	Very low	62.8	Low	195 Å²	195	91.2 Å²	91.2	85%	0.848	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.7	170.7	-69.6	-176.5	178.4	178.1	0	112.7	G102	K100-G102 PolarHBondContact O-N 3.1Å
101	N	50.3	Low	62.7	Low	141 Å²	141	95.1 Å²	95.1	75%	0.754	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	2.3	-179.2	-60.3	6.1	0	0	0	113.3	K99 E103	K99-N101 PolarHBondContact O-N 3.37Å; N101-E103 VanDerWaalsContact C-N 3.3Å; N101-E103 PolarHBondContact O-N 3.27Å
102	G	53.4	Low	62.8	Low	40 Å²	40	95.6 Å²	95.6	41%	0.412	48%	0.478	S	S	.	.	S	Bend	trans	89	-18.3	179.9	0	0	0	0	0	114.9	K99 K100	K99-G102 PolarHBondContact O-N 2.65Å; K100-G102 PolarHBondContact O-N 3.1Å
103	E	57.1	Low	63.3	Low	120 Å²	120	94.6 Å²	94.6	56%	0.561	47%	0.474	S	S	*	.			trans	-65.1	136.2	175	-66.2	179.5	175.7	0	0	112.2	K99 N101	K99-E103 WeakPolarHBondContact CB-O 3.43Å; K99-E103 PolarHBondContact N-O 3.02Å; N101-E103 VanDerWaalsContact C-N 3.3Å; N101-E103 PolarHBondContact O-N 3.27Å
104	T	58.5	Low	63.7	Low	105 Å²	105	93.9 Å²	93.9	64%	0.644	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.6	172.5	51.3	0	0	0	0	109.5	L97 R98	L97-T104 WeakPolarHBondContact O-CA 3.21Å; R98-T104 HydrophobicContact CG-CG2 4.42Å
105	Q	56.3	Low	64.3	Low	56 Å²	56	87.2 Å²	87.2	26%	0.262	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.2	171.4	-67.5	-164.6	-3.6	0	0	110	L97 K99	L97-Q105 PolarHBondContact N-O 3.47Å; L97-Q105 PolarHBondContact O-N 3.07Å; K99-Q105 HydrophobicContact CD-CG 4.29Å; K99-Q105 VanDerWaalsContact NZ-CD 3.28Å; K99-Q105 VanDerWaalsContact NZ-OE1 3.14Å
106	T	59.7	Low	65.2	Low	87 Å²	87	85.6 Å²	85.6	53%	0.534	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.7	170.5	48	0	0	0	0	108.7	T96	T96-T106 HydrophobicContact CG2-CG2 3.64Å
107	I	61	Low	66.2	Low	25 Å²	25	81.3 Å²	81.3	13%	0.128	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.4	172.7	-53.5	-168.4	0	0	0	108.1	V95 L97 V109	V95-I107 PolarHBondContact N-O 2.77Å; V95-I107 PolarHBondContact O-N 3.47Å; L97-I107 HydrophobicContact CD1-CB 4.41Å; L97-I107 HydrophobicContact CD1-CD1 3.56Å; L97-I107 HydrophobicContact CD1-CG1 4.01Å; I107-V109 HydrophobicContact CG2-CG2 4.25Å
108	S	62.9	Low	67.3	Low	65 Å²	65	80.7 Å²	80.7	46%	0.455	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	170.8	65.7	0	0	0	0	109.6	E92	E92-S108 WeakPolarHBondContact OE2-CB 3.48Å; E92-S108 PolarHBondContact OE2-OG 3.09Å
109	V	64.3	Low	68.5	Low	51 Å²	51	71.8 Å²	71.8	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135	-178.3	-178.1	0	0	0	0	109.3	E92 K93 V95 I107 I111	E92-V109 CarbonylContact C-O 3.57Å; E92-V109 VanDerWaalsContact CA-O 3.32Å; E92-V109 WeakPolarHBondContact CA-O 3.49Å; K93-V109 PolarHBondContact N-O 3.49Å; K93-V109 PolarHBondContact O-N 3.43Å; V95-V109 HydrophobicContact CG2-CG2 4.41Å; I107-V109 HydrophobicContact CG2-CG2 4.25Å; V109-I111 PolarHBondContact O-N 2.86Å
110	R	70.7	Confident	70.2	Confident	127 Å²	127	70.1 Å²	70.1	48%	0.479	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.8	175.6	-68.7	-177.1	-179	173.5	1.3	111.1	E92 W112	E92-R110 HydrophobicContact CG-CG 4.09Å; R110-W112 VanDerWaalsContact C-N 3.29Å; R110-W112 PolarHBondContact O-N 2.78Å
111	I	77.6	Confident	72	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	33%	0.331	S	S	.	.	S	Bend	trans	-67	-36.5	177.5	-62.8	175.9	0	0	0	110.5	Q91 K93 V109	Q91-I111 HydrophobicContact CB-CD1 3.83Å; Q91-I111 HydrophobicContact CB-CG1 4.46Å; Q91-I111 WeakPolarHBondContact O-CG1 3.4Å; Q91-I111 PolarHBondContact O-N 3.48Å; K93-I111 HydrophobicContact CB-CD1 4.47Å; K93-I111 HydrophobicContact CB-CG1 3.98Å; V109-I111 PolarHBondContact O-N 2.86Å
112	W	80.3	Confident	73.7	Confident	76 Å²	76	55.2 Å²	55.2	29%	0.288	30%	0.296	S	S	.	.	S	Bend	trans	-96.5	129.3	-179	-66.4	85.5	0	0	0	111.4	I88 R110 V116 L121	I88-W112 PolarHBondContact O-NE1 3.35Å; R110-W112 VanDerWaalsContact C-N 3.29Å; R110-W112 PolarHBondContact O-N 2.78Å; W112-V116 HydrophobicContact CE3-CG1 4.28Å; W112-V116 HydrophobicContact CZ3-CG1 4.4Å; W112-L121 HydrophobicContact CH2-CD1 4.05Å; W112-L121 HydrophobicContact CZ2-CD1 4.09Å
113	N	82.9	Confident	75.2	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.251	28%	0.276	S	S	.	.			trans	-66.1	136.4	165.3	170.6	-83.6	0	0	0	109.7	T115 V116 S117 Y232 D235	N113-T115 PolarHBondContact O-N 2.97Å; N113-T115 WeakPolarHBondContact OD1-CA 3.43Å; N113-T115 VanDerWaalsContact OD1-CB 3.29Å; N113-T115 WeakPolarHBondContact OD1-CB 3.42Å; N113-T115 PolarHBondContact OD1-N 2.85Å; N113-V116 HydrophobicContact CB-CB 4.19Å; N113-V116 HydrophobicContact CB-CG2 4.04Å; N113-V116 WeakPolarHBondContact O-CB 3.15Å; N113-V116 PolarHBondContact O-N 3.4Å; N113-V116 VanDerWaalsContact O-N 3.09Å; N113-V116 PolarHBondContact OD1-N 3.18Å; N113-V116 VanDerWaalsContact OD1-N 3.12Å; N113-S117 PolarHBondContact O-N 3.23Å; N113-S117 PolarHBondContact O-OG 3.35Å; N113-Y232 HydrophobicContact CB-CD2 4.04Å; N113-Y232 HydrophobicContact CB-CE2 3.97Å; N113-D235 PolarHBondContact ND2-OD2 3.26Å
114	E	79.9	Confident	76.8	Confident	122 Å²	122	49.1 Å²	49.1	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-60	-40.4	-175.4	-172.6	-178.8	173	0	0	113.4	V116 S117 N118	E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.93Å; E114-S117 WeakPolarHBondContact CA-OG 3.18Å; E114-S117 PolarHBondContact O-OG 3.15Å; E114-N118 VanDerWaalsContact O-CB 3.23Å; E114-N118 WeakPolarHBondContact O-CB 3.33Å; E114-N118 PolarHBondContact O-N 3.33Å; E114-N118 PolarHBondContact O-ND2 3.22Å; E114-N118 VanDerWaalsContact O-ND2 3.15Å
115	T	82.3	Confident	78.2	Confident	17 Å²	17	44.1 Å²	44.1	10%	0.104	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-40.1	176.1	-62.4	0	0	0	0	111.1	N113 L119 V185 A231 D235	N113-T115 PolarHBondContact O-N 2.97Å; N113-T115 WeakPolarHBondContact OD1-CA 3.43Å; N113-T115 VanDerWaalsContact OD1-CB 3.29Å; N113-T115 WeakPolarHBondContact OD1-CB 3.42Å; N113-T115 PolarHBondContact OD1-N 2.85Å; T115-L119 HydrophobicContact CG2-CD1 4.06Å; T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 WeakPolarHBondContact O-CG 3.32Å; T115-L119 PolarHBondContact O-N 3.38Å; T115-L119 VanDerWaalsContact O-N 3.13Å; T115-V185 HydrophobicContact CG2-CG1 3.84Å; T115-A231 HydrophobicContact CG2-CB 3.83Å; T115-D235 HydrophobicContact CG2-CB 4.23Å; T115-D235 WeakPolarHBondContact OG1-CB 3.3Å; T115-D235 PolarHBondContact OG1-OD2 2.86Å
116	V	88.3	Confident	79.6	Confident	24 Å²	24	41.6 Å²	41.6	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-47.2	178.1	175.2	0	0	0	0	110.8	W112 N113 E114 N118 L119 T120 V228 Y232	W112-V116 HydrophobicContact CE3-CG1 4.28Å; W112-V116 HydrophobicContact CZ3-CG1 4.4Å; N113-V116 HydrophobicContact CB-CB 4.19Å; N113-V116 HydrophobicContact CB-CG2 4.04Å; N113-V116 WeakPolarHBondContact O-CB 3.15Å; N113-V116 PolarHBondContact O-N 3.4Å; N113-V116 VanDerWaalsContact O-N 3.09Å; N113-V116 PolarHBondContact OD1-N 3.18Å; N113-V116 VanDerWaalsContact OD1-N 3.12Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.93Å; V116-N118 VanDerWaalsContact C-N 3.32Å; V116-N118 PolarHBondContact O-N 3.04Å; V116-L119 PolarHBondContact O-N 3.34Å; V116-T120 HydrophobicContact CG1-CG2 4.13Å; V116-T120 WeakPolarHBondContact O-CB 3.23Å; V116-T120 WeakPolarHBondContact O-CG2 3.37Å; V116-T120 PolarHBondContact O-N 3.42Å; V116-T120 PolarHBondContact O-OG1 3.35Å; V116-V228 HydrophobicContact CB-CG1 4.46Å; V116-V228 HydrophobicContact CG1-CG1 3.84Å; V116-V228 HydrophobicContact CG2-CG1 4.23Å; V116-Y232 HydrophobicContact CG2-CD2 3.71Å; V116-Y232 HydrophobicContact CG2-CG 4.1Å
117	S	84.9	Confident	81.1	Confident	11 Å²	11	37.5 Å²	37.5	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-43.3	178.2	63	0	0	0	0	111.2	N113 E114 L119 T120 L121 M122	N113-S117 PolarHBondContact O-N 3.23Å; N113-S117 PolarHBondContact O-OG 3.35Å; E114-S117 WeakPolarHBondContact CA-OG 3.18Å; E114-S117 PolarHBondContact O-OG 3.15Å; S117-L119 PolarHBondContact O-N 3.33Å; S117-T120 PolarHBondContact O-N 3.42Å; S117-L121 PolarHBondContact O-N 2.99Å; S117-M122 VanDerWaalsContact O-CB 3.24Å; S117-M122 WeakPolarHBondContact O-CB 3.43Å; S117-M122 VanDerWaalsContact O-CG 3.31Å; S117-M122 WeakPolarHBondContact O-CG 3.36Å; S117-M122 PolarHBondContact O-N 3.19Å
118	N	82.9	Confident	82.6	Confident	35 Å²	35	36.4 Å²	36.4	19%	0.187	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-37.7	178.9	-78.7	-27.3	0	0	0	113.6	E114 V116 A123 R328	E114-N118 VanDerWaalsContact O-CB 3.23Å; E114-N118 WeakPolarHBondContact O-CB 3.33Å; E114-N118 PolarHBondContact O-N 3.33Å; E114-N118 PolarHBondContact O-ND2 3.22Å; E114-N118 VanDerWaalsContact O-ND2 3.15Å; V116-N118 VanDerWaalsContact C-N 3.32Å; V116-N118 PolarHBondContact O-N 3.04Å; N118-A123 WeakPolarHBondContact O-CB 3.36Å; N118-A123 PolarHBondContact O-N 3.26Å; N118-R328 PolarHBondContact O-NH1 2.94Å
119	L	84.8	Confident	84.1	Confident	13 Å²	13	33.5 Å²	33.5	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-89.4	-17.8	179.9	-71.1	173.9	0	0	0	114.5	T115 V116 S117 A123 T189 A231 V816	T115-L119 HydrophobicContact CG2-CD1 4.06Å; T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 WeakPolarHBondContact O-CG 3.32Å; T115-L119 PolarHBondContact O-N 3.38Å; T115-L119 VanDerWaalsContact O-N 3.13Å; V116-L119 PolarHBondContact O-N 3.34Å; S117-L119 PolarHBondContact O-N 3.33Å; L119-A123 WeakPolarHBondContact O-CB 3.47Å; L119-T189 HydrophobicContact CD1-CG2 3.84Å; L119-T189 HydrophobicContact CD2-CG2 3.79Å; L119-T189 HydrophobicContact CG-CG2 4.41Å; L119-A231 HydrophobicContact CD1-CB 3.19Å; L119-V816 WeakPolarHBondContact O-CG2 3.39Å
120	T	88.5	Confident	85.5	Confident	20 Å²	20	31 Å²	31	12%	0.123	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-95.1	-179.6	56.3	0	0	0	0	111.4	V116 S117 M122 A123 L124 F224 V228	V116-T120 HydrophobicContact CG1-CG2 4.13Å; V116-T120 WeakPolarHBondContact O-CB 3.23Å; V116-T120 WeakPolarHBondContact O-CG2 3.37Å; V116-T120 PolarHBondContact O-N 3.42Å; V116-T120 PolarHBondContact O-OG1 3.35Å; S117-T120 PolarHBondContact O-N 3.42Å; T120-M122 PolarHBondContact O-N 2.85Å; T120-A123 PolarHBondContact O-N 2.8Å; T120-L124 VanDerWaalsContact O-CB 3.32Å; T120-L124 WeakPolarHBondContact O-CB 3.36Å; T120-L124 PolarHBondContact O-N 3.3Å; T120-F224 HydrophobicContact CG2-CZ 4.13Å; T120-V228 HydrophobicContact CG2-CB 4.28Å; T120-V228 HydrophobicContact CG2-CG1 3.73Å; T120-V228 HydrophobicContact CG2-CG2 3.49Å; T120-V228 VanDerWaalsContact CG2-CG2 3.49Å
121	L	86.2	Confident	86.6	Confident	21 Å²	21	25.4 Å²	25.4	11%	0.11	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-36.1	-172.9	-67.4	175.8	0	0	0	112.1	I85 I88 T89 W112 S117 L124 G125 F744	I85-L121 VanDerWaalsContact CD1-O 3.3Å; I85-L121 WeakPolarHBondContact CD1-O 3.29Å; I85-L121 HydrophobicContact CG2-CB 3.68Å; I88-L121 HydrophobicContact CG2-CD1 3.84Å; T89-L121 HydrophobicContact CG2-CB 4.18Å; T89-L121 HydrophobicContact CG2-CD1 3.92Å; W112-L121 HydrophobicContact CH2-CD1 4.05Å; W112-L121 HydrophobicContact CZ2-CD1 4.09Å; S117-L121 PolarHBondContact O-N 2.99Å; L121-L124 HydrophobicContact CD2-CD2 4.37Å; L121-G125 PolarHBondContact O-N 3.38Å; L121-F744 HydrophobicContact CD2-CE2 4.12Å; L121-F744 HydrophobicContact CD2-CZ 4.13Å
122	M	85	Confident	87.5	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-71.3	-38.9	179.5	-70.4	-66.7	178.1	0	0	113	M82 I85 E86 T89 S117 T120 G125 S126 A329	M82-M122 HydrophobicContact CE-SD 4.44Å; I85-M122 HydrophobicContact CG2-CE 3.78Å; I85-M122 HydrophobicContact CG2-CG 4.12Å; I85-M122 HydrophobicContact CG2-SD 3.57Å; I85-M122 VanDerWaalsContact CG2-SD 3.57Å; E86-M122 WeakPolarHBondContact OE2-CE 3.24Å; T89-M122 HydrophobicContact CG2-CE 4.39Å; T89-M122 VanDerWaalsContact OG1-CE 3.25Å; T89-M122 WeakPolarHBondContact OG1-CE 3.47Å; S117-M122 VanDerWaalsContact O-CB 3.24Å; S117-M122 WeakPolarHBondContact O-CB 3.43Å; S117-M122 VanDerWaalsContact O-CG 3.31Å; S117-M122 WeakPolarHBondContact O-CG 3.36Å; S117-M122 PolarHBondContact O-N 3.19Å; T120-M122 PolarHBondContact O-N 2.85Å; M122-G125 PolarHBondContact O-N 2.87Å; M122-S126 PolarHBondContact O-N 3.36Å; M122-S126 VanDerWaalsContact O-N 3.09Å; M122-A329 HydrophobicContact CE-CB 3.93Å; M122-A329 HydrophobicContact SD-CB 3.9Å
123	A	86.1	Confident	88.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69	-43.1	174.8	0	0	0	0	0	111.2	N118 L119 T120 G125 S126 S127 V816	N118-A123 WeakPolarHBondContact O-CB 3.36Å; N118-A123 PolarHBondContact O-N 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.47Å; T120-A123 PolarHBondContact O-N 2.8Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.31Å; A123-S126 VanDerWaalsContact O-CB 3.31Å; A123-S126 WeakPolarHBondContact O-CB 3.35Å; A123-S126 PolarHBondContact O-N 3.39Å; A123-S127 PolarHBondContact O-N 3.39Å; A123-S127 VanDerWaalsContact O-N 3.13Å; A123-V816 HydrophobicContact CB-CB 4.28Å; A123-V816 HydrophobicContact CB-CG2 3.77Å
124	L	89.9	Confident	88.6	Confident	32 Å²	32	17 Å²	17	17%	0.168	9%	0.09	C	C	.	.	H	α-helix	trans	-55.8	-45.3	169.4	173.9	69.1	0	0	0	111.1	T120 L121 S126 S127 A128 I131 F744 L820	T120-L124 VanDerWaalsContact O-CB 3.32Å; T120-L124 WeakPolarHBondContact O-CB 3.36Å; T120-L124 PolarHBondContact O-N 3.3Å; L121-L124 HydrophobicContact CD2-CD2 4.37Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 2.84Å; L124-S127 CarbonylContact O-C 3.2Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-A128 WeakPolarHBondContact O-CA 3.39Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.95Å; L124-I131 HydrophobicContact CD1-CD1 3.85Å; L124-F744 HydrophobicContact CD2-CZ 4.19Å; L124-L820 HydrophobicContact CD1-CD2 3.74Å
125	G	88.1	Confident	89.3	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-48	-52.5	173.9	0	0	0	0	0	112.5	F81 M82 L121 M122 A123 R332	F81-G125 VanDerWaalsContact CE1-CA 3.49Å; M82-G125 VanDerWaalsContact SD-C 3.59Å; M82-G125 WeakPolarHBondContact SD-CA 3.38Å; L121-G125 PolarHBondContact O-N 3.38Å; M122-G125 PolarHBondContact O-N 2.87Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.31Å; G125-R332 PolarHBondContact O-NH1 3.33Å
126	S	85.6	Confident	89.8	Confident	3 Å²	3	12.9 Å²	12.9	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-56.1	-51.5	177.3	-128.5	0	0	0	0	112.8	M122 A123 L124 R328 R332 D789	M122-S126 PolarHBondContact O-N 3.36Å; M122-S126 VanDerWaalsContact O-N 3.09Å; A123-S126 VanDerWaalsContact O-CB 3.31Å; A123-S126 WeakPolarHBondContact O-CB 3.35Å; A123-S126 PolarHBondContact O-N 3.39Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 2.84Å; S126-R328 PolarHBondContact OG-NH2 3.48Å; S126-R332 VanDerWaalsContact CA-CZ 3.43Å; S126-R332 VanDerWaalsContact CA-NH1 3.28Å; S126-R332 PolarHBondContact O-NH2 2.84Å; S126-D789 WeakPolarHBondContact CB-OD2 3.38Å; S126-D789 PolarHBondContact OG-OD1 3.4Å; S126-D789 PolarHBondContact OG-OD2 3.31Å
127	S	91.1	Very high	90	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-111	20.2	-163.8	-53.4	0	0	0	0	114.2	A123 L124 P129 E130 I131 N817	A123-S127 PolarHBondContact O-N 3.39Å; A123-S127 VanDerWaalsContact O-N 3.13Å; L124-S127 CarbonylContact O-C 3.2Å; L124-S127 PolarHBondContact O-N 2.88Å; S127-P129 VanDerWaalsContact C-CD 3.45Å; S127-P129 VanDerWaalsContact C-N 3.33Å; S127-E130 WeakPolarHBondContact CA-OE2 3.25Å; S127-E130 PolarHBondContact O-N 3.46Å; S127-E130 VanDerWaalsContact O-OE2 3.1Å; S127-I131 WeakPolarHBondContact O-CB 3.35Å; S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.43Å; S127-I131 PolarHBondContact O-N 3.07Å; S127-N817 WeakPolarHBondContact CB-OD1 3.48Å; S127-N817 PolarHBondContact OG-OD1 2.73Å; S127-N817 VanDerWaalsContact OG-OD1 3.11Å
128	A	93.4	Very high	90.4	Very high	2 Å²	2	11.9 Å²	11.9	2%	0.017	7%	0.065	C	C	.	.	H	α-helix	trans	-55.4	-42	176.8	0	0	0	0	0	112.6	F81 L124 E130 I131 L132	F81-A128 HydrophobicContact CD1-CB 4.25Å; F81-A128 HydrophobicContact CE1-CB 3.68Å; L124-A128 WeakPolarHBondContact O-CA 3.39Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.95Å; A128-E130 VanDerWaalsContact C-N 3.33Å; A128-E130 PolarHBondContact O-N 2.9Å; A128-I131 PolarHBondContact O-N 2.74Å; A128-L132 HydrophobicContact CB-CD1 4.37Å; A128-L132 WeakPolarHBondContact O-CB 3.47Å; A128-L132 WeakPolarHBondContact O-CD1 3.48Å; A128-L132 VanDerWaalsContact O-CG 3.22Å; A128-L132 WeakPolarHBondContact O-CG 3.5Å; A128-L132 PolarHBondContact O-N 3.2Å
129	P	93.4	Very high	90.8	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.026	8%	0.077	C	C	.	.	H	α-helix	trans	-57	-43.7	177.5	-27.1	37	0	0	0	113.8	V74 S127 L133 I751 T755 T785	V74-P129 HydrophobicContact CG1-CB 4.11Å; V74-P129 HydrophobicContact CG1-CG 3.54Å; S127-P129 VanDerWaalsContact C-CD 3.45Å; S127-P129 VanDerWaalsContact C-N 3.33Å; P129-L133 WeakPolarHBondContact O-CB 3.5Å; P129-L133 PolarHBondContact O-N 3.12Å; P129-I751 HydrophobicContact CG-CG2 4.33Å; P129-T755 HydrophobicContact CB-CG2 3.83Å; P129-T785 HydrophobicContact CB-CG2 3.79Å
130	E	93.9	Very high	91	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72.7	-42.2	-177.6	-61.1	86.2	166.7	0	0	112.2	S127 A128 S134 T152 I153 T785	S127-E130 WeakPolarHBondContact CA-OE2 3.25Å; S127-E130 PolarHBondContact O-N 3.46Å; S127-E130 VanDerWaalsContact O-OE2 3.1Å; A128-E130 VanDerWaalsContact C-N 3.33Å; A128-E130 PolarHBondContact O-N 2.9Å; E130-S134 PolarHBondContact O-N 3.41Å; E130-S134 VanDerWaalsContact O-N 3.15Å; E130-S134 PolarHBondContact O-OG 3.41Å; E130-T152 HydrophobicContact CB-CG2 4.34Å; E130-T152 HydrophobicContact CG-CG2 3.79Å; E130-I153 HydrophobicContact CB-CG1 4.17Å; E130-T785 VanDerWaalsContact CD-OG1 3.3Å; E130-T785 WeakPolarHBondContact OE1-CB 3.39Å; E130-T785 PolarHBondContact OE1-OG1 3.48Å
131	I	94.4	Very high	91	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-48.9	176.2	-71	168	0	0	0	109.7	L124 S127 A128 S134 V135 V816 L820	L124-I131 HydrophobicContact CD1-CD1 3.85Å; S127-I131 WeakPolarHBondContact O-CB 3.35Å; S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.43Å; S127-I131 PolarHBondContact O-N 3.07Å; A128-I131 PolarHBondContact O-N 2.74Å; I131-S134 PolarHBondContact O-N 2.94Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 2.87Å; I131-V135 VanDerWaalsContact O-N 3.12Å; I131-V816 HydrophobicContact CD1-CG1 4.17Å; I131-L820 HydrophobicContact CD1-CD2 4.25Å; I131-L820 HydrophobicContact CD1-CG 4.45Å
132	L	95.3	Very high	91.1	Very high	31 Å²	31	22 Å²	22	16%	0.162	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-40	-179.1	-71.3	167	0	0	0	111.7	A128 S134 V135 I136 I748 I751	A128-L132 HydrophobicContact CB-CD1 4.37Å; A128-L132 WeakPolarHBondContact O-CB 3.47Å; A128-L132 WeakPolarHBondContact O-CD1 3.48Å; A128-L132 VanDerWaalsContact O-CG 3.22Å; A128-L132 WeakPolarHBondContact O-CG 3.5Å; A128-L132 PolarHBondContact O-N 3.2Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.31Å; L132-V135 PolarHBondContact O-N 3.45Å; L132-I136 HydrophobicContact CB-CD1 4.3Å; L132-I136 VanDerWaalsContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CB 3.45Å; L132-I136 WeakPolarHBondContact O-CD1 3.36Å; L132-I136 WeakPolarHBondContact O-CG1 3.3Å; L132-I136 PolarHBondContact O-N 2.65Å; L132-I748 HydrophobicContact CD1-CG2 4.42Å; L132-I748 HydrophobicContact CD2-CG2 4.34Å; L132-I751 HydrophobicContact CD1-CB 3.98Å; L132-I751 HydrophobicContact CD1-CG2 3.54Å
133	L	94.7	Very high	91.4	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-44.2	175.2	-177.4	64.5	0	0	0	111.4	P129 E137 L148 T152 V781	P129-L133 WeakPolarHBondContact O-CB 3.5Å; P129-L133 PolarHBondContact O-N 3.12Å; L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.38Å; L133-E137 PolarHBondContact O-N 3.09Å; L133-L148 HydrophobicContact CD1-CD2 4.2Å; L133-L148 HydrophobicContact CD2-CD2 4.41Å; L133-L148 HydrophobicContact CD2-CG 4.46Å; L133-T152 HydrophobicContact CD2-CG2 4.17Å; L133-V781 HydrophobicContact CD2-CG1 3.93Å
134	S	92.5	Very high	91.6	Very high	2 Å²	2	30 Å²	30	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-38.9	179.9	-56.9	0	0	0	0	112.8	E130 I131 L132 I138 G149 I153	E130-S134 PolarHBondContact O-N 3.41Å; E130-S134 VanDerWaalsContact O-N 3.15Å; E130-S134 PolarHBondContact O-OG 3.41Å; I131-S134 PolarHBondContact O-N 2.94Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.31Å; S134-I138 WeakPolarHBondContact O-CD1 3.15Å; S134-I138 WeakPolarHBondContact O-CG1 3.29Å; S134-I138 PolarHBondContact O-N 3.27Å; S134-G149 VanDerWaalsContact OG-C 3.28Å; S134-G149 WeakPolarHBondContact OG-CA 3.36Å; S134-G149 PolarHBondContact OG-O 2.75Å; S134-I153 WeakPolarHBondContact OG-CD1 3.38Å
135	V	94.4	Very high	91.5	Very high	19 Å²	19	30.1 Å²	30.1	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-70.8	-44.3	177	173.2	0	0	0	0	111.3	I131 L132 I138 I139 L824	I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 2.87Å; I131-V135 VanDerWaalsContact O-N 3.12Å; L132-V135 PolarHBondContact O-N 3.45Å; V135-I138 PolarHBondContact O-N 3.27Å; V135-I139 HydrophobicContact CG1-CD1 3.84Å; V135-I139 WeakPolarHBondContact O-CG1 3.44Å; V135-I139 PolarHBondContact O-N 3.18Å; V135-I139 VanDerWaalsContact O-N 3.13Å; V135-L824 HydrophobicContact CG2-CD2 4.18Å; V135-L824 HydrophobicContact CG2-CG 4.35Å
136	I	93.2	Very high	91.4	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.179	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-178.6	-68.3	166.8	0	0	0	111	I40 L132 I138 I139 G140 G752 A756	I40-I136 HydrophobicContact CD1-CG2 4.1Å; L132-I136 HydrophobicContact CB-CD1 4.3Å; L132-I136 VanDerWaalsContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CB 3.45Å; L132-I136 WeakPolarHBondContact O-CD1 3.36Å; L132-I136 WeakPolarHBondContact O-CG1 3.3Å; L132-I136 PolarHBondContact O-N 2.65Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.39Å; I136-I139 PolarHBondContact O-N 2.77Å; I136-G140 PolarHBondContact O-N 3.37Å; I136-G752 WeakPolarHBondContact CD1-O 3.37Å; I136-A756 HydrophobicContact CD1-CB 4.36Å; I136-A756 HydrophobicContact CG2-CB 3.9Å
137	E	92.2	Very high	91.5	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-46	177	-178.8	178.5	-143.7	0	0	111.2	L133 G140 K141 G146 L148 G149	L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.38Å; L133-E137 PolarHBondContact O-N 3.09Å; E137-G140 PolarHBondContact O-N 3.28Å; E137-K141 HydrophobicContact CG-CD 3.89Å; E137-K141 HydrophobicContact CG-CG 4.48Å; E137-K141 WeakPolarHBondContact O-CB 3.2Å; E137-K141 WeakPolarHBondContact O-CG 3.39Å; E137-K141 PolarHBondContact O-N 3.13Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 3.42Å; E137-G146 VanDerWaalsContact CD-CA 3.46Å; E137-G146 WeakPolarHBondContact OE1-CA 3.49Å; E137-L148 WeakPolarHBondContact OE1-CB 3.31Å; E137-L148 PolarHBondContact OE1-N 3.49Å; E137-L148 VanDerWaalsContact OE1-N 3.12Å; E137-L148 PolarHBondContact OE2-N 3.47Å; E137-G149 WeakPolarHBondContact OE2-CA 3.11Å; E137-G149 PolarHBondContact OE2-N 2.83Å
138	I	92.7	Very high	91.4	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-47.5	177.7	-71	170.4	0	0	0	110.6	S134 V135 I136 G140 K141 F143 A829	S134-I138 WeakPolarHBondContact O-CD1 3.15Å; S134-I138 WeakPolarHBondContact O-CG1 3.29Å; S134-I138 PolarHBondContact O-N 3.27Å; V135-I138 PolarHBondContact O-N 3.27Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.39Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 2.92Å; I138-K141 PolarHBondContact O-N 3.26Å; I138-F143 HydrophobicContact CG2-CD1 4.24Å; I138-F143 WeakPolarHBondContact O-CA 3.22Å; I138-F143 PolarHBondContact O-N 3.37Å; I138-A829 HydrophobicContact CG2-CB 3.71Å
139	I	92	Very high	91.4	Very high	87 Å²	87	33 Å²	33	45%	0.446	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-41.6	179.7	-65.8	169	0	0	0	110.8	V135 I136 N142 F143	V135-I139 HydrophobicContact CG1-CD1 3.84Å; V135-I139 WeakPolarHBondContact O-CG1 3.44Å; V135-I139 PolarHBondContact O-N 3.18Å; V135-I139 VanDerWaalsContact O-N 3.13Å; I136-I139 PolarHBondContact O-N 2.77Å; I139-N142 PolarHBondContact O-N 2.91Å; I139-F143 HydrophobicContact CG1-CE1 4.41Å
140	G	87.7	Confident	91.4	Very high	33 Å²	33	33.2 Å²	33.2	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-70.1	-30.4	-178.6	0	0	0	0	0	113.9	I136 E137 I138 N142	I136-G140 PolarHBondContact O-N 3.37Å; E137-G140 PolarHBondContact O-N 3.28Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 2.92Å; G140-N142 VanDerWaalsContact C-N 3.31Å; G140-N142 PolarHBondContact O-N 3.47Å
141	K	88.4	Confident	91.3	Very high	64 Å²	64	33.3 Å²	33.3	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	29.7	176	-66.4	-178.8	175.7	172.2	0	112.8	E137 I138 F143 E144	E137-K141 HydrophobicContact CG-CD 3.89Å; E137-K141 HydrophobicContact CG-CG 4.48Å; E137-K141 WeakPolarHBondContact O-CB 3.2Å; E137-K141 WeakPolarHBondContact O-CG 3.39Å; E137-K141 PolarHBondContact O-N 3.13Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 3.42Å; I138-K141 PolarHBondContact O-N 3.26Å; K141-F143 VanDerWaalsContact C-N 3.29Å; K141-F143 PolarHBondContact O-N 3.45Å; K141-E144 HydrophobicContact CB-CB 4.44Å; K141-E144 VanDerWaalsContact O-CB 3.29Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 WeakPolarHBondContact O-CG 3.3Å; K141-E144 PolarHBondContact O-N 3.48Å
142	N	89.6	Confident	91.3	Very high	118 Å²	118	33 Å²	33	63%	0.631	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.4	179.8	-64	-54.8	0	0	0	114.5	I139 G140 E144	I139-N142 PolarHBondContact O-N 2.91Å; G140-N142 VanDerWaalsContact C-N 3.31Å; G140-N142 PolarHBondContact O-N 3.47Å; N142-E144 PolarHBondContact O-N 3.17Å
143	F	91.7	Very high	91.3	Very high	41 Å²	41	31.5 Å²	31.5	18%	0.18	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	11.7	-177	-51.6	-88.4	0	0	0	114.9	I138 I139 K141 I828 A829 Y832 H833 F840	I138-F143 HydrophobicContact CG2-CD1 4.24Å; I138-F143 WeakPolarHBondContact O-CA 3.22Å; I138-F143 PolarHBondContact O-N 3.37Å; I139-F143 HydrophobicContact CG1-CE1 4.41Å; K141-F143 VanDerWaalsContact C-N 3.29Å; K141-F143 PolarHBondContact O-N 3.45Å; F143-I828 HydrophobicContact CD1-CG2 4Å; F143-I828 HydrophobicContact CE1-CG2 3.59Å; F143-A829 HydrophobicContact CB-CB 4.35Å; F143-Y832 HydrophobicContact CB-CD1 3.53Å; F143-Y832 HydrophobicContact CB-CE1 3.94Å; F143-Y832 HydrophobicContact CB-CG 4.07Å; F143-Y832 HydrophobicContact CD1-CD1 4.4Å; F143-Y832 HydrophobicContact CD1-CG 4.09Å; F143-Y832 AromaticContact CD2-CD1 3.47Å; F143-Y832 HydrophobicContact CD2-CD1 3.47Å; F143-Y832 VanDerWaalsContact CD2-CD1 3.47Å; F143-Y832 AromaticContact CD2-CD2 3.67Å; F143-Y832 HydrophobicContact CD2-CD2 3.67Å; F143-Y832 AromaticContact CD2-CE1 3.36Å; F143-Y832 HydrophobicContact CD2-CE1 3.36Å; F143-Y832 AromaticContact CD2-CE2 3.56Å; F143-Y832 HydrophobicContact CD2-CE2 3.56Å; F143-Y832 AromaticContact CD2-CG 3.59Å; F143-Y832 HydrophobicContact CD2-CG 3.59Å; F143-Y832 AromaticContact CD2-CZ 3.35Å; F143-Y832 HydrophobicContact CE1-CD2 4.47Å; F143-Y832 HydrophobicContact CE1-CG 4.46Å; F143-Y832 HydrophobicContact CE2-CD1 4.29Å; F143-Y832 AromaticContact CE2-CD2 3.62Å; F143-Y832 HydrophobicContact CE2-CD2 3.62Å; F143-Y832 HydrophobicContact CE2-CE1 4.15Å; F143-Y832 AromaticContact CE2-CE2 3.45Å; F143-Y832 HydrophobicContact CE2-CE2 3.45Å; F143-Y832 VanDerWaalsContact CE2-CE2 3.45Å; F143-Y832 HydrophobicContact CE2-CG 4.01Å; F143-Y832 AromaticContact CE2-CZ 3.68Å; F143-Y832 AromaticContact CG-CD1 3.53Å; F143-Y832 HydrophobicContact CG-CD1 3.53Å; F143-Y832 HydrophobicContact CG-CD2 4.13Å; F143-Y832 AromaticContact CG-CE1 3.89Å; F143-Y832 HydrophobicContact CG-CE1 3.89Å; F143-Y832 HydrophobicContact CG-CE2 4.44Å; F143-Y832 AromaticContact CG-CG 3.63Å; F143-Y832 HydrophobicContact CG-CG 3.63Å; F143-Y832 HydrophobicContact CZ-CD2 4.04Å; F143-Y832 HydrophobicContact CZ-CE2 4.24Å; F143-Y832 HydrophobicContact CZ-CG 4.42Å; F143-H833 PolarHBondContact O-NE2 2.82Å; F143-H833 VanDerWaalsContact O-NE2 3.1Å; F143-F840 WeakPolarHBondContact O-CD2 3.43Å; F143-F840 VanDerWaalsContact O-CE2 3.31Å; F143-F840 WeakPolarHBondContact O-CE2 3.38Å
144	E	89.4	Confident	91.3	Very high	128 Å²	128	31.1 Å²	31.1	60%	0.598	17%	0.172	S	C	*	.			trans	-79	148.3	168.7	-60.3	-179.6	176.4	0	0	111.1	K141 N142	K141-E144 HydrophobicContact CB-CB 4.44Å; K141-E144 VanDerWaalsContact O-CB 3.29Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 WeakPolarHBondContact O-CG 3.3Å; K141-E144 PolarHBondContact O-N 3.48Å; N142-E144 PolarHBondContact O-N 3.17Å
145	A	87.2	Confident	91.4	Very high	36 Å²	36	31 Å²	31	30%	0.298	17%	0.171	S	C	.	.			trans	-72.3	131.8	179.1	0	0	0	0	0	110.9	F840 L841 V842	A145-F840 HydrophobicContact CB-CE2 3.88Å; A145-F840 HydrophobicContact CB-CZ 3.91Å; A145-L841 WeakPolarHBondContact CB-O 3.49Å; A145-V842 HydrophobicContact CB-CB 4.4Å; A145-V842 HydrophobicContact CB-CG1 4.45Å; A145-V842 HydrophobicContact CB-CG2 3.87Å
146	G	86.8	Confident	91.4	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	17%	0.166	C	C	.	.			trans	-107.9	162	172	0	0	0	0	0	112.9	E137 P150	E137-G146 VanDerWaalsContact CD-CA 3.46Å; E137-G146 WeakPolarHBondContact OE1-CA 3.49Å; G146-P150 VanDerWaalsContact O-CD 3.25Å; G146-P150 WeakPolarHBondContact O-CD 3.26Å; G146-P150 WeakPolarHBondContact O-CG 3.19Å
147	D	88.3	Confident	91.5	Very high	49 Å²	49	28.4 Å²	28.4	26%	0.262	16%	0.157	S	C	.	.	S	Bend	trans	-88.7	-19.7	-179.8	-75.3	-19.5	0	0	0	112.5	R33 G151 D773 A774	R33-D147 IonicContact NH1-OD2 3.44Å; R33-D147 PolarHBondContact NH1-OD2 3.15Å; D147-G151 WeakPolarHBondContact O-CA 3.3Å; D147-G151 PolarHBondContact O-N 2.9Å; D147-D773 HydrophobicContact CB-CB 4.35Å; D147-A774 HydrophobicContact CB-CB 4.26Å
148	L	89.2	Confident	91.7	Very high	8 Å²	8	28 Å²	28	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-74.8	-51.4	-169.8	-166	79.4	0	0	0	111.5	L133 E137 G151 T152 D773 A777	L133-L148 HydrophobicContact CD1-CD2 4.2Å; L133-L148 HydrophobicContact CD2-CD2 4.41Å; L133-L148 HydrophobicContact CD2-CG 4.46Å; E137-L148 WeakPolarHBondContact OE1-CB 3.31Å; E137-L148 PolarHBondContact OE1-N 3.49Å; E137-L148 VanDerWaalsContact OE1-N 3.12Å; E137-L148 PolarHBondContact OE2-N 3.47Å; L148-G151 PolarHBondContact O-N 2.83Å; L148-T152 WeakPolarHBondContact O-CB 3.5Å; L148-T152 PolarHBondContact O-N 3.26Å; L148-T152 PolarHBondContact O-OG1 3.12Å; L148-D773 HydrophobicContact CD1-CB 4.21Å; L148-A777 HydrophobicContact CD1-CB 3.91Å; L148-A777 HydrophobicContact CG-CB 4.36Å; L148-A777 VanDerWaalsContact O-CB 3.28Å; L148-A777 WeakPolarHBondContact O-CB 3.15Å
149	G	91.9	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-57.5	-179.4	0	0	0	0	0	112.7	S134 E137 G151 T152 I153	S134-G149 VanDerWaalsContact OG-C 3.28Å; S134-G149 WeakPolarHBondContact OG-CA 3.36Å; S134-G149 PolarHBondContact OG-O 2.75Å; E137-G149 WeakPolarHBondContact OE2-CA 3.11Å; E137-G149 PolarHBondContact OE2-N 2.83Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 3.44Å; G149-T152 PolarHBondContact O-N 3.12Å; G149-T152 VanDerWaalsContact O-N 3.14Å; G149-I153 PolarHBondContact O-N 2.77Å
150	P	92.9	Very high	91.9	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-41.1	174.5	-24.2	34.4	0	0	0	113.1	G146 T152 I153 V154 I822 L847	G146-P150 VanDerWaalsContact O-CD 3.25Å; G146-P150 WeakPolarHBondContact O-CD 3.26Å; G146-P150 WeakPolarHBondContact O-CG 3.19Å; P150-T152 VanDerWaalsContact C-N 3.33Å; P150-T152 PolarHBondContact O-N 3.36Å; P150-I153 PolarHBondContact O-N 3.22Å; P150-V154 WeakPolarHBondContact O-CG2 3.36Å; P150-V154 PolarHBondContact O-N 3.44Å; P150-I822 HydrophobicContact CB-CD1 3.99Å; P150-I822 HydrophobicContact CG-CD1 3.85Å; P150-L847 HydrophobicContact CB-CD1 3.73Å; P150-L847 HydrophobicContact CB-CD2 3.82Å; P150-L847 HydrophobicContact CB-CG 4.44Å
151	G	92.9	Very high	92.2	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-41.3	175	0	0	0	0	0	112.7	D147 L148 G149 G155 I778	D147-G151 WeakPolarHBondContact O-CA 3.3Å; D147-G151 PolarHBondContact O-N 2.9Å; L148-G151 PolarHBondContact O-N 2.83Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 3.44Å; G151-G155 PolarHBondContact O-N 3.46Å; G151-I778 VanDerWaalsContact O-CG1 3.31Å; G151-I778 WeakPolarHBondContact O-CG1 3.47Å
152	T	94.8	Very high	92.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-43.7	176	-64.9	0	0	0	0	110.7	E130 L133 L148 G149 P150 V154 G155 S156 V781	E130-T152 HydrophobicContact CB-CG2 4.34Å; E130-T152 HydrophobicContact CG-CG2 3.79Å; L133-T152 HydrophobicContact CD2-CG2 4.17Å; L148-T152 WeakPolarHBondContact O-CB 3.5Å; L148-T152 PolarHBondContact O-N 3.26Å; L148-T152 PolarHBondContact O-OG1 3.12Å; G149-T152 PolarHBondContact O-N 3.12Å; G149-T152 VanDerWaalsContact O-N 3.14Å; P150-T152 VanDerWaalsContact C-N 3.33Å; P150-T152 PolarHBondContact O-N 3.36Å; T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.29Å; T152-G155 PolarHBondContact O-N 2.88Å; T152-S156 VanDerWaalsContact O-CB 3.26Å; T152-S156 WeakPolarHBondContact O-CB 2.94Å; T152-S156 PolarHBondContact O-N 2.01Å; T152-S156 PolarHBondContact O-OG 3.19Å; T152-S156 VanDerWaalsContact O-OG 3.05Å; T152-V781 HydrophobicContact CG2-CB 4.46Å; T152-V781 HydrophobicContact CG2-CG1 3.89Å; T152-V781 WeakPolarHBondContact OG1-CG1 3.45Å
153	I	94.8	Very high	92.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-43	178.5	-77.2	175.6	0	0	0	112.3	E130 S134 G149 P150 A157 Y197 N817 V818 I822	E130-I153 HydrophobicContact CB-CG1 4.17Å; S134-I153 WeakPolarHBondContact OG-CD1 3.38Å; G149-I153 PolarHBondContact O-N 2.77Å; P150-I153 PolarHBondContact O-N 3.22Å; I153-A157 WeakPolarHBondContact O-CB 3.07Å; I153-A157 PolarHBondContact O-N 2.97Å; I153-Y197 HydrophobicContact CG2-CE1 4.32Å; I153-Y197 PolarHBondContact O-OH 2.84Å; I153-N817 WeakPolarHBondContact CD1-O 3.41Å; I153-N817 HydrophobicContact CG1-CB 4.36Å; I153-N817 HydrophobicContact CG2-CB 3.85Å; I153-V818 HydrophobicContact CG2-CG2 4.16Å; I153-I822 HydrophobicContact CD1-CD1 3.74Å; I153-I822 HydrophobicContact CD1-CG1 3.68Å; I153-I822 HydrophobicContact CG2-CG1 4.43Å
154	V	94.9	Very high	93	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-74.4	-43	179.2	-174.2	0	0	0	0	110.8	P150 T152 A157 A158 Y197 M200 L847 S850 V851	P150-V154 WeakPolarHBondContact O-CG2 3.36Å; P150-V154 PolarHBondContact O-N 3.44Å; T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.29Å; V154-A157 PolarHBondContact O-N 2.97Å; V154-A158 PolarHBondContact O-N 3.14Å; V154-Y197 HydrophobicContact CB-CE1 4.44Å; V154-Y197 HydrophobicContact CG2-CD1 4.32Å; V154-Y197 HydrophobicContact CG2-CE1 4.06Å; V154-M200 HydrophobicContact CG2-SD 4.33Å; V154-L847 HydrophobicContact CG2-CD1 3.99Å; V154-S850 WeakPolarHBondContact CG1-OG 3.4Å; V154-V851 HydrophobicContact CG1-CG2 4.2Å; V154-V851 HydrophobicContact CG2-CG2 3.6Å
155	G	94.9	Very high	93.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.9	-46.9	175.7	0	0	0	0	0	113.2	G151 T152 A157 A158 F159 A782	G151-G155 PolarHBondContact O-N 3.46Å; T152-G155 PolarHBondContact O-N 2.88Å; G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.44Å; G155-A158 WeakPolarHBondContact O-CB 3.25Å; G155-A158 PolarHBondContact O-N 3.38Å; G155-F159 WeakPolarHBondContact O-CB 3.45Å; G155-F159 PolarHBondContact O-N 2.93Å; G155-A782 VanDerWaalsContact C-CB 3.47Å
156	S	94	Very high	93.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.6	-37.1	178.4	-66.6	0	0	0	0	111	T152 F159 N160 A782 T785	T152-S156 VanDerWaalsContact O-CB 3.26Å; T152-S156 WeakPolarHBondContact O-CB 2.94Å; T152-S156 PolarHBondContact O-N 2.01Å; T152-S156 PolarHBondContact O-OG 3.19Å; T152-S156 VanDerWaalsContact O-OG 3.05Å; S156-F159 PolarHBondContact O-N 3.15Å; S156-N160 VanDerWaalsContact O-CB 3.23Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 3.35Å; S156-N160 PolarHBondContact O-ND2 3.39Å; S156-N160 PolarHBondContact O-OD1 3.38Å; S156-A782 VanDerWaalsContact N-CB 3.33Å; S156-A782 VanDerWaalsContact OG-CA 3.3Å; S156-A782 WeakPolarHBondContact OG-CA 3.41Å; S156-A782 WeakPolarHBondContact OG-CB 3.41Å; S156-A782 PolarHBondContact OG-O 3Å; S156-T785 PolarHBondContact OG-OG1 2.86Å
157	A	94.8	Very high	94	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-69.5	-35.6	176.6	0	0	0	0	0	113.9	I153 V154 G155 L161 Y197 N814 Y854	I153-A157 WeakPolarHBondContact O-CB 3.07Å; I153-A157 PolarHBondContact O-N 2.97Å; V154-A157 PolarHBondContact O-N 2.97Å; G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.44Å; A157-L161 WeakPolarHBondContact O-CB 3.06Å; A157-L161 PolarHBondContact O-N 2.81Å; A157-Y197 HydrophobicContact CB-CE1 4.07Å; A157-Y197 HydrophobicContact CB-CE2 3.99Å; A157-Y197 VanDerWaalsContact CB-CZ 3.41Å; A157-Y197 WeakPolarHBondContact CB-OH 3.4Å; A157-N814 HydrophobicContact CB-CB 4.27Å; A157-N814 PolarHBondContact O-ND2 3.49Å; A157-Y854 HydrophobicContact CB-CE2 4.19Å
158	A	95.8	Very high	94.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63	-48.5	169.8	0	0	0	0	0	110.8	V154 G155 N160 L161 F162 Y854 Y898	V154-A158 PolarHBondContact O-N 3.14Å; G155-A158 WeakPolarHBondContact O-CB 3.25Å; G155-A158 PolarHBondContact O-N 3.38Å; A158-N160 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 3.32Å; A158-F162 HydrophobicContact CB-CD2 4.03Å; A158-F162 HydrophobicContact CB-CE2 3.81Å; A158-F162 VanDerWaalsContact O-CB 3.26Å; A158-F162 WeakPolarHBondContact O-CB 3.38Å; A158-F162 WeakPolarHBondContact O-CD2 3.47Å; A158-F162 WeakPolarHBondContact O-CG 3.1Å; A158-F162 PolarHBondContact O-N 3.32Å; A158-Y854 HydrophobicContact CB-CD2 3.83Å; A158-Y854 HydrophobicContact CB-CE2 4.24Å; A158-Y898 HydrophobicContact CB-CD1 3.71Å; A158-Y898 HydrophobicContact CB-CE1 3.44Å; A158-Y898 VanDerWaalsContact CB-CE1 3.44Å; A158-Y898 HydrophobicContact CB-CG 4.37Å
159	F	95.9	Very high	94.6	Very high	11 Å²	11	3.2 Å²	3.2	5%	0.048	2%	0.019	C	C	.	.	I	π-helix	trans	-61.5	-45.1	178.4	-171.8	-93.4	0	0	0	112	G155 S156 V163 I164 L783 S786 T790 W895	G155-F159 WeakPolarHBondContact O-CB 3.45Å; G155-F159 PolarHBondContact O-N 2.93Å; S156-F159 PolarHBondContact O-N 3.15Å; F159-V163 HydrophobicContact CD1-CB 4.48Å; F159-V163 HydrophobicContact CD2-CB 3.8Å; F159-V163 HydrophobicContact CD2-CG1 4.19Å; F159-V163 HydrophobicContact CD2-CG2 3.71Å; F159-V163 HydrophobicContact CE1-CB 4.39Å; F159-V163 HydrophobicContact CE1-CG1 4.27Å; F159-V163 HydrophobicContact CE2-CB 3.66Å; F159-V163 HydrophobicContact CE2-CG1 3.52Å; F159-V163 HydrophobicContact CE2-CG2 3.79Å; F159-V163 HydrophobicContact CG-CB 4.21Å; F159-V163 HydrophobicContact CG-CG2 4.44Å; F159-V163 HydrophobicContact CZ-CB 3.99Å; F159-V163 HydrophobicContact CZ-CG1 3.57Å; F159-V163 WeakPolarHBondContact O-CA 3.2Å; F159-V163 WeakPolarHBondContact O-CB 3.11Å; F159-V163 PolarHBondContact O-N 3.48Å; F159-I164 HydrophobicContact CD1-CD1 4.28Å; F159-I164 HydrophobicContact CD1-CG1 4.03Å; F159-I164 HydrophobicContact CE1-CD1 4.37Å; F159-I164 HydrophobicContact CE1-CG1 3.96Å; F159-I164 PolarHBondContact O-N 3.34Å; F159-I164 VanDerWaalsContact O-N 3.09Å; F159-L783 HydrophobicContact CD2-CD1 4.11Å; F159-L783 HydrophobicContact CE1-CD1 4.28Å; F159-L783 HydrophobicContact CE2-CD1 3.29Å; F159-L783 HydrophobicContact CZ-CD1 3.39Å; F159-S786 VanDerWaalsContact CD1-CB 3.45Å; F159-T790 VanDerWaalsContact CE1-OG1 3.32Å; F159-T790 WeakPolarHBondContact CE1-OG1 3.28Å; F159-W895 AromaticContact CD2-CE2 3.77Å; F159-W895 AromaticContact CD2-CZ2 3.84Å; F159-W895 HydrophobicContact CD2-CZ2 3.84Å; F159-W895 AromaticContact CD2-NE1 3.66Å; F159-W895 HydrophobicContact CE2-CZ2 4.19Å
160	N	93.2	Very high	94.7	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.033	C	C	.	.	I	π-helix	trans	-62.3	-48.2	178.5	-67.7	-8.3	0	0	0	111.5	S156 A158 I164 S786 V810 N814	S156-N160 VanDerWaalsContact O-CB 3.23Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 3.35Å; S156-N160 PolarHBondContact O-ND2 3.39Å; S156-N160 PolarHBondContact O-OD1 3.38Å; A158-N160 PolarHBondContact O-N 2.85Å; N160-I164 HydrophobicContact CB-CD1 4.15Å; N160-I164 WeakPolarHBondContact O-CB 3.19Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.4Å; N160-S786 WeakPolarHBondContact OD1-CB 3.1Å; N160-S786 PolarHBondContact OD1-OG 3.21Å; N160-V810 HydrophobicContact CB-CG1 3.8Å; N160-V810 WeakPolarHBondContact O-CG1 3.41Å; N160-N814 PolarHBondContact ND2-OD1 2.99Å
161	L	94.4	Very high	94.6	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.021	4%	0.041	C	C	.	.	I	π-helix	trans	-73.3	-34.2	-176.8	-174.4	60.6	0	0	0	113.1	A157 A158 I165 Y854 A858 A861 I865	A157-L161 WeakPolarHBondContact O-CB 3.06Å; A157-L161 PolarHBondContact O-N 2.81Å; A158-L161 PolarHBondContact O-N 3.32Å; L161-I165 WeakPolarHBondContact O-CB 3.43Å; L161-I165 VanDerWaalsContact O-CG1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.29Å; L161-Y854 HydrophobicContact CD2-CE2 4.32Å; L161-A858 HydrophobicContact CD2-CB 3.45Å; L161-A858 VanDerWaalsContact CD2-CB 3.45Å; L161-A861 HydrophobicContact CD2-CB 4.38Å; L161-A861 HydrophobicContact CG-CB 4.3Å; L161-I865 HydrophobicContact CD1-CD1 4.48Å
162	F	96.1	Very high	94.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-95.6	-60.6	-174.1	-53.5	-33.4	0	0	0	111.9	A158 G166 Y854 F857 A861 L891 W895	A158-F162 HydrophobicContact CB-CD2 4.03Å; A158-F162 HydrophobicContact CB-CE2 3.81Å; A158-F162 VanDerWaalsContact O-CB 3.26Å; A158-F162 WeakPolarHBondContact O-CB 3.38Å; A158-F162 WeakPolarHBondContact O-CD2 3.47Å; A158-F162 WeakPolarHBondContact O-CG 3.1Å; A158-F162 PolarHBondContact O-N 3.32Å; F162-G166 PolarHBondContact O-N 2.8Å; F162-Y854 HydrophobicContact CE2-CD2 4.25Å; F162-Y854 HydrophobicContact CZ-CD2 4.06Å; F162-Y854 HydrophobicContact CZ-CE2 4.24Å; F162-F857 HydrophobicContact CE1-CB 4.13Å; F162-F857 HydrophobicContact CE2-CB 4.19Å; F162-F857 HydrophobicContact CZ-CB 3.52Å; F162-A861 HydrophobicContact CD1-CB 3.88Å; F162-A861 HydrophobicContact CE1-CB 3.75Å; F162-L891 WeakPolarHBondContact O-CB 3.4Å; F162-W895 HydrophobicContact CB-CB 3.88Å; F162-W895 HydrophobicContact CD2-CB 4.01Å; F162-W895 HydrophobicContact CG-CB 4.4Å
163	V	96.1	Very high	94.3	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.042	6%	0.055	C	C	.	.	I	π-helix	trans	-74.5	-50.9	-172.2	176.7	0	0	0	0	110.7	F159 I165 G166 V167 F892 W895	F159-V163 HydrophobicContact CD1-CB 4.48Å; F159-V163 HydrophobicContact CD2-CB 3.8Å; F159-V163 HydrophobicContact CD2-CG1 4.19Å; F159-V163 HydrophobicContact CD2-CG2 3.71Å; F159-V163 HydrophobicContact CE1-CB 4.39Å; F159-V163 HydrophobicContact CE1-CG1 4.27Å; F159-V163 HydrophobicContact CE2-CB 3.66Å; F159-V163 HydrophobicContact CE2-CG1 3.52Å; F159-V163 HydrophobicContact CE2-CG2 3.79Å; F159-V163 HydrophobicContact CG-CB 4.21Å; F159-V163 HydrophobicContact CG-CG2 4.44Å; F159-V163 HydrophobicContact CZ-CB 3.99Å; F159-V163 HydrophobicContact CZ-CG1 3.57Å; F159-V163 WeakPolarHBondContact O-CA 3.2Å; F159-V163 WeakPolarHBondContact O-CB 3.11Å; F159-V163 PolarHBondContact O-N 3.48Å; V163-I165 PolarHBondContact O-N 3.4Å; V163-G166 CarbonylContact O-C 3.45Å; V163-G166 WeakPolarHBondContact O-CA 3.42Å; V163-G166 PolarHBondContact O-N 3.29Å; V163-G166 VanDerWaalsContact O-N 3.12Å; V163-V167 HydrophobicContact CG1-CG2 4.41Å; V163-V167 WeakPolarHBondContact O-CG2 3.28Å; V163-V167 PolarHBondContact O-N 3.47Å; V163-F892 HydrophobicContact CB-CE1 4.39Å; V163-F892 HydrophobicContact CG1-CD1 4.42Å; V163-F892 HydrophobicContact CG1-CE1 3.61Å; V163-F892 HydrophobicContact CG1-CZ 3.84Å; V163-F892 HydrophobicContact CG2-CD1 4.28Å; V163-F892 HydrophobicContact CG2-CE1 4.26Å; V163-W895 HydrophobicContact CG2-CB 3.88Å; V163-W895 HydrophobicContact CG2-CD2 3.59Å; V163-W895 HydrophobicContact CG2-CE3 4.06Å; V163-W895 HydrophobicContact CG2-CG 3.51Å
164	I	94.8	Very high	93.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-61.8	-45.1	-177.5	-58.6	-175.3	0	0	0	110.7	F159 N160 G166 V167 C168 D789 T790 S793 V810	F159-I164 HydrophobicContact CD1-CD1 4.28Å; F159-I164 HydrophobicContact CD1-CG1 4.03Å; F159-I164 HydrophobicContact CE1-CD1 4.37Å; F159-I164 HydrophobicContact CE1-CG1 3.96Å; F159-I164 PolarHBondContact O-N 3.34Å; F159-I164 VanDerWaalsContact O-N 3.09Å; N160-I164 HydrophobicContact CB-CD1 4.15Å; N160-I164 WeakPolarHBondContact O-CB 3.19Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.4Å; I164-G166 VanDerWaalsContact C-N 3.35Å; I164-G166 PolarHBondContact O-N 3.43Å; I164-V167 PolarHBondContact O-N 3.02Å; I164-C168 WeakPolarHBondContact O-CB 3.29Å; I164-C168 PolarHBondContact O-N 3.32Å; I164-C168 PolarHBondContact O-SG 3Å; I164-D789 HydrophobicContact CD1-CB 4.02Å; I164-T790 HydrophobicContact CG1-CG2 4.34Å; I164-T790 WeakPolarHBondContact CG1-OG1 3.21Å; I164-S793 VanDerWaalsContact CG2-CB 3.41Å; I164-V810 HydrophobicContact CG2-CG2 4.11Å
165	I	94.2	Very high	93.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-40.4	175.4	-56.5	-51.8	0	0	0	111.4	L161 V163 V167 C168 I169 I807 V810 I865 L891	L161-I165 WeakPolarHBondContact O-CB 3.43Å; L161-I165 VanDerWaalsContact O-CG1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.29Å; V163-I165 PolarHBondContact O-N 3.4Å; I165-V167 VanDerWaalsContact C-N 3.33Å; I165-V167 PolarHBondContact O-N 3.25Å; I165-C168 PolarHBondContact O-N 3.34Å; I165-I169 HydrophobicContact CG2-CD1 4.18Å; I165-I169 HydrophobicContact CG2-CG1 4.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.46Å; I165-I807 HydrophobicContact CD1-CB 4.39Å; I165-I807 HydrophobicContact CD1-CG1 4.11Å; I165-I807 HydrophobicContact CD1-CG2 4.36Å; I165-V810 HydrophobicContact CD1-CB 4.3Å; I165-V810 HydrophobicContact CD1-CG1 4.25Å; I165-V810 HydrophobicContact CD1-CG2 4.3Å; I165-I865 HydrophobicContact CG2-CD1 3.97Å; I165-I865 HydrophobicContact CG2-CG1 4.23Å; I165-L891 HydrophobicContact CB-CD1 4.3Å; I165-L891 HydrophobicContact CG2-CD1 4.04Å
166	G	95.6	Very high	93.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-45	173.7	0	0	0	0	0	112.6	F162 V163 I164 I169 V170 A888	F162-G166 PolarHBondContact O-N 2.8Å; V163-G166 CarbonylContact O-C 3.45Å; V163-G166 WeakPolarHBondContact O-CA 3.42Å; V163-G166 PolarHBondContact O-N 3.29Å; V163-G166 VanDerWaalsContact O-N 3.12Å; I164-G166 VanDerWaalsContact C-N 3.35Å; I164-G166 PolarHBondContact O-N 3.43Å; G166-I169 PolarHBondContact O-N 2.95Å; G166-V170 WeakPolarHBondContact O-CG2 3.05Å; G166-V170 PolarHBondContact O-N 2.8Å; G166-A888 WeakPolarHBondContact O-CB 3.3Å
167	V	95.2	Very high	93	Very high	31 Å²	31	23.5 Å²	23.5	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-48.6	173.1	173	0	0	0	0	110.5	V163 I164 I165 I169 V170 V171 T790 K794 F892	V163-V167 HydrophobicContact CG1-CG2 4.41Å; V163-V167 WeakPolarHBondContact O-CG2 3.28Å; V163-V167 PolarHBondContact O-N 3.47Å; I164-V167 PolarHBondContact O-N 3.02Å; I165-V167 VanDerWaalsContact C-N 3.33Å; I165-V167 PolarHBondContact O-N 3.25Å; V167-I169 PolarHBondContact O-N 3.38Å; V167-V170 PolarHBondContact O-N 3.06Å; V167-V171 HydrophobicContact CG1-CG1 3.82Å; V167-V171 WeakPolarHBondContact O-CG1 3.39Å; V167-V171 WeakPolarHBondContact O-CG2 3.49Å; V167-V171 PolarHBondContact O-N 3.05Å; V167-T790 HydrophobicContact CG2-CG2 4.48Å; V167-K794 HydrophobicContact CG1-CB 4.37Å; V167-F892 HydrophobicContact CG2-CE2 4.36Å; V167-F892 HydrophobicContact CG2-CZ 3.84Å
168	C	94.7	Very high	92.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-33.7	178.8	-67.8	0	0	0	0	112.5	I164 I165 V172 S793 A797 L877	I164-C168 WeakPolarHBondContact O-CB 3.29Å; I164-C168 PolarHBondContact O-N 3.32Å; I164-C168 PolarHBondContact O-SG 3Å; I165-C168 PolarHBondContact O-N 3.34Å; C168-V172 WeakPolarHBondContact O-CG2 3.46Å; C168-S793 VanDerWaalsContact SG-CB 3.6Å; C168-S793 PolarHBondContact SG-O 2.77Å; C168-A797 HydrophobicContact CB-CB 4.05Å; C168-L877 HydrophobicContact CB-CD1 4.11Å; C168-L877 HydrophobicContact CB-CD2 3.85Å
169	I	94.6	Very high	92.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-43.2	173.9	-69.7	166	0	0	0	110.6	I165 G166 V167 L877 K884 A888 L891	I165-I169 HydrophobicContact CG2-CD1 4.18Å; I165-I169 HydrophobicContact CG2-CG1 4.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.46Å; G166-I169 PolarHBondContact O-N 2.95Å; V167-I169 PolarHBondContact O-N 3.38Å; I169-L877 HydrophobicContact CG1-CD2 3.76Å; I169-K884 HydrophobicContact CG2-CB 4.32Å; I169-K884 HydrophobicContact CG2-CG 3.85Å; I169-K884 WeakPolarHBondContact CG2-O 3.31Å; I169-K884 WeakPolarHBondContact O-CE 3.26Å; I169-K884 VanDerWaalsContact O-CG 3.3Å; I169-K884 WeakPolarHBondContact O-CG 3.45Å; I169-A888 HydrophobicContact CG2-CB 4.41Å; I169-L891 HydrophobicContact CD1-CD1 3.8Å
170	V	93.8	Very high	92.1	Very high	46 Å²	46	30.1 Å²	30.1	28%	0.279	18%	0.175	S	C	.	.	H	α-helix	trans	-78.2	-28	-174.1	179.6	0	0	0	0	113.6	G166 V167 K884 Y885 A888	G166-V170 WeakPolarHBondContact O-CG2 3.05Å; G166-V170 PolarHBondContact O-N 2.8Å; V167-V170 PolarHBondContact O-N 3.06Å; V170-K884 WeakPolarHBondContact O-CE 3.41Å; V170-K884 PolarHBondContact O-NZ 3.25Å; V170-Y885 HydrophobicContact CG1-CD1 4.48Å; V170-Y885 HydrophobicContact CG1-CE1 3.86Å; V170-Y885 HydrophobicContact CG2-CD1 4.42Å; V170-A888 HydrophobicContact CG2-CB 3.28Å
171	V	92.2	Very high	91.5	Very high	39 Å²	39	36.2 Å²	36.2	24%	0.236	20%	0.201	C	C	.	.	H	α-helix	trans	-83.4	-19.6	-174.6	-62.3	0	0	0	0	114	V167 K794 A797 V798	V167-V171 HydrophobicContact CG1-CG1 3.82Å; V167-V171 WeakPolarHBondContact O-CG1 3.39Å; V167-V171 WeakPolarHBondContact O-CG2 3.49Å; V167-V171 PolarHBondContact O-N 3.05Å; V171-K794 HydrophobicContact CB-CG 4.2Å; V171-K794 HydrophobicContact CG1-CD 4.13Å; V171-K794 HydrophobicContact CG1-CG 3.94Å; V171-K794 HydrophobicContact CG2-CG 4.09Å; V171-A797 HydrophobicContact CG2-CB 3.99Å; V171-V798 HydrophobicContact CB-CG2 4.16Å; V171-V798 HydrophobicContact CG2-CG2 4.14Å
172	V	91.7	Very high	90.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-59.8	129.6	176.7	173	0	0	0	0	109.8	C168 Q176 R178 A797 L877 K884	C168-V172 WeakPolarHBondContact O-CG2 3.46Å; V172-Q176 HydrophobicContact CG1-CB 4.01Å; V172-Q176 WeakPolarHBondContact CG1-O 3.26Å; V172-R178 HydrophobicContact CG1-CG 4.32Å; V172-R178 HydrophobicContact CG2-CG 3.89Å; V172-A797 HydrophobicContact CG2-CB 4.36Å; V172-L877 HydrophobicContact CG2-CB 3.84Å; V172-K884 PolarHBondContact O-NZ 3.46Å
173	P	88.2	Confident	90.2	Very high	50 Å²	50	40.8 Å²	40.8	33%	0.325	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-52.5	146	-179.7	-28.2	35	0	0	0	113.5	G175 Q176	P173-G175 PolarHBondContact O-N 2.79Å; P173-Q176 HydrophobicContact CB-CG 4.41Å; P173-Q176 PolarHBondContact O-N 3.36Å; P173-Q176 VanDerWaalsContact O-N 3.11Å
174	D	87.3	Confident	89.7	Confident	84 Å²	84	42.8 Å²	42.8	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	130.3	-178.6	-71.7	-23.4	0	0	0	110.9	K881 K884	D174-K881 VanDerWaalsContact CG-CE 3.48Å; D174-K881 WeakPolarHBondContact OD2-CE 3.32Å; D174-K881 IonicContact OD2-NZ 2.9Å; D174-K881 PolarHBondContact OD2-NZ 3.12Å; D174-K884 IonicContact OD1-NZ 2.95Å; D174-K884 PolarHBondContact OD1-NZ 2.96Å
175	G	84.7	Confident	89.1	Confident	78 Å²	78	43.7 Å²	43.7	80%	0.804	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.7	-13.6	-177.1	0	0	0	0	0	114.6	P173	P173-G175 PolarHBondContact O-N 2.79Å
176	Q	89.9	Confident	88.7	Confident	84 Å²	84	44 Å²	44	39%	0.393	24%	0.244	S	C	.	.			trans	-96.5	151.1	176.3	-58.6	-172.2	12.3	0	0	111.8	V172 P173 G879	V172-Q176 HydrophobicContact CG1-CB 4.01Å; V172-Q176 WeakPolarHBondContact CG1-O 3.26Å; P173-Q176 HydrophobicContact CB-CG 4.41Å; P173-Q176 PolarHBondContact O-N 3.36Å; P173-Q176 VanDerWaalsContact O-N 3.11Å; Q176-G879 PolarHBondContact O-N 3.36Å
177	V	90.8	Very high	88.4	Confident	57 Å²	57	48.4 Å²	48.4	35%	0.345	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.2	172.9	-70.2	0	0	0	0	108.9	L877	V177-L877 WeakPolarHBondContact CA-O 3.16Å
178	R	91.4	Very high	88.1	Confident	25 Å²	25	49.1 Å²	49.1	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.5	172.3	-47.9	-61.7	-172.9	-150.4	8.7	109	V172 A797 V798 D800 Q801 A803 E876 L877	V172-R178 HydrophobicContact CG1-CG 4.32Å; V172-R178 HydrophobicContact CG2-CG 3.89Å; R178-A797 PolarHBondContact NE-O 2.88Å; R178-V798 PolarHBondContact NH2-O 3.44Å; R178-D800 WeakPolarHBondContact CD-O 3.35Å; R178-D800 PolarHBondContact NE-O 3Å; R178-Q801 VanDerWaalsContact CD-O 3.27Å; R178-Q801 WeakPolarHBondContact CD-O 3.16Å; R178-A803 HydrophobicContact CB-CB 3.95Å; R178-E876 PolarHBondContact O-N 2.85Å; R178-L877 HydrophobicContact CB-CB 4.04Å; R178-L877 HydrophobicContact CB-CD1 4.29Å; R178-L877 HydrophobicContact CB-CG 4.48Å; R178-L877 HydrophobicContact CG-CB 4.33Å; R178-L877 PolarHBondContact N-O 3.43Å; R178-L877 VanDerWaalsContact N-O 3.08Å; R178-L877 PolarHBondContact O-N 3Å
179	R	89.8	Confident	87.7	Confident	117 Å²	117	49.3 Å²	49.3	44%	0.442	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-115.3	149.5	177.2	-71.3	-172.2	176.1	177.7	4.2	111.6	K181 Y802 A803 G874 E876	R179-K181 PolarHBondContact O-N 3.41Å; R179-Y802 CarbonylContact O-C 3.6Å; R179-Y802 VanDerWaalsContact O-CA 3.31Å; R179-Y802 WeakPolarHBondContact O-CA 3.41Å; R179-Y802 WeakPolarHBondContact O-CB 3.27Å; R179-A803 PolarHBondContact O-N 3.01Å; R179-G874 PolarHBondContact NE-O 3.45Å; R179-G874 PolarHBondContact NH2-O 2.93Å; R179-E876 VanDerWaalsContact CA-OE2 3.27Å; R179-E876 WeakPolarHBondContact CA-OE2 3.45Å
180	I	86.1	Confident	87.4	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.041	27%	0.269	C	S	.	.			trans	-75.1	121.4	171.4	-58.3	175.7	0	0	0	108.8	L183 F186 A803 D804 I807 E876	I180-L183 HydrophobicContact CB-CD2 4.13Å; I180-L183 HydrophobicContact CG2-CD2 4.24Å; I180-L183 HydrophobicContact CG2-CG 4.37Å; I180-F186 HydrophobicContact CD1-CD1 3.94Å; I180-F186 HydrophobicContact CD1-CD2 3.86Å; I180-F186 HydrophobicContact CD1-CE1 4.06Å; I180-F186 HydrophobicContact CD1-CE2 4Å; I180-F186 HydrophobicContact CD1-CG 3.84Å; I180-F186 HydrophobicContact CD1-CZ 4.08Å; I180-F186 HydrophobicContact CG2-CB 4.04Å; I180-F186 HydrophobicContact CG2-CG 4.4Å; I180-A803 HydrophobicContact CG1-CB 3.95Å; I180-D804 WeakPolarHBondContact CA-OD2 3.4Å; I180-D804 WeakPolarHBondContact CG2-OD1 3.46Å; I180-I807 HydrophobicContact CD1-CB 4.38Å; I180-I807 HydrophobicContact CD1-CD1 4.12Å; I180-I807 HydrophobicContact CD1-CG2 4.26Å; I180-I807 HydrophobicContact CG1-CD1 4.33Å; I180-E876 HydrophobicContact CD1-CG 4.25Å; I180-E876 HydrophobicContact CG1-CG 4.3Å
181	K	80.9	Confident	87.3	Confident	128 Å²	128	50.8 Å²	50.8	56%	0.557	28%	0.28	S	S	*	.	S	Bend	trans	-77.3	-45.9	177.4	-176.8	-178.4	175.3	-171.4	0	110.9	R179 L183 Y802 D804	R179-K181 PolarHBondContact O-N 3.41Å; K181-L183 PolarHBondContact O-N 2.64Å; K181-Y802 HydrophobicContact CB-CD1 3.9Å; K181-Y802 HydrophobicContact CB-CE1 4.27Å; K181-Y802 HydrophobicContact CB-CG 4.15Å; K181-Y802 HydrophobicContact CD-CD2 4.37Å; K181-Y802 HydrophobicContact CD-CE1 4.41Å; K181-Y802 HydrophobicContact CD-CE2 4.2Å; K181-Y802 HydrophobicContact CG-CE1 4.49Å; K181-D804 PolarHBondContact N-OD1 2.82Å; K181-D804 PolarHBondContact N-OD2 2.69Å
182	H	80.3	Confident	87.4	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.319	28%	0.278	S	S	.	.			trans	-98.1	64.8	-173.4	-64.1	-100.3	0	0	0	113	S184 V185 F186 D235 D804	H182-S184 VanDerWaalsContact C-N 3.32Å; H182-S184 PolarHBondContact O-N 2.94Å; H182-V185 HydrophobicContact CB-CB 4.29Å; H182-V185 HydrophobicContact CB-CG2 4.29Å; H182-V185 PolarHBondContact O-N 2.83Å; H182-F186 PolarHBondContact O-N 2.91Å; H182-D235 IonicContact ND1-OD1 2.71Å; H182-D804 IonicContact CD2-OD1 3.7Å; H182-D804 IonicContact CG-OD1 3.98Å; H182-D804 PolarHBondContact N-OD1 3.11Å
183	L	83	Confident	87.4	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-33.1	-173.8	-69.9	149.7	0	0	0	114.8	I180 K181 F186 F187 R869	I180-L183 HydrophobicContact CB-CD2 4.13Å; I180-L183 HydrophobicContact CG2-CD2 4.24Å; I180-L183 HydrophobicContact CG2-CG 4.37Å; K181-L183 PolarHBondContact O-N 2.64Å; L183-F186 PolarHBondContact O-N 3.31Å; L183-F187 HydrophobicContact CB-CD2 4.42Å; L183-F187 HydrophobicContact CB-CE2 4.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.49Å; L183-F187 PolarHBondContact O-N 3.43Å; L183-R869 VanDerWaalsContact CD1-NH1 3.27Å
184	S	83.8	Confident	87.7	Confident	49 Å²	49	50.7 Å²	50.7	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-43.6	178	49	0	0	0	0	111.7	H182 F187 I188	H182-S184 VanDerWaalsContact C-N 3.32Å; H182-S184 PolarHBondContact O-N 2.94Å; S184-F187 PolarHBondContact O-N 3.1Å; S184-I188 WeakPolarHBondContact O-CG1 3.35Å; S184-I188 PolarHBondContact O-N 3.27Å
185	V	83.8	Confident	88.1	Confident	18 Å²	18	49.1 Å²	49.1	11%	0.109	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-47.2	175.9	-178.2	0	0	0	0	109	T115 H182 F187 I188 T189 A234 D235	T115-V185 HydrophobicContact CG2-CG1 3.84Å; H182-V185 HydrophobicContact CB-CB 4.29Å; H182-V185 HydrophobicContact CB-CG2 4.29Å; H182-V185 PolarHBondContact O-N 2.83Å; V185-F187 PolarHBondContact O-N 2.86Å; V185-I188 PolarHBondContact O-N 3.38Å; V185-I188 VanDerWaalsContact O-N 3.13Å; V185-T189 HydrophobicContact CG1-CG2 4.18Å; V185-T189 WeakPolarHBondContact O-CG2 3.42Å; V185-T189 PolarHBondContact O-N 3.43Å; V185-T189 PolarHBondContact O-OG1 3.14Å; V185-A234 HydrophobicContact CG2-CB 4.48Å; V185-D235 HydrophobicContact CG2-CB 4.11Å
186	F	86	Confident	88.5	Confident	7 Å²	7	45.4 Å²	45.4	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-43.9	176.7	175.8	-104.3	0	0	0	113.4	I180 H182 L183 I188 T189 S190 I807 T811 L866	I180-F186 HydrophobicContact CD1-CD1 3.94Å; I180-F186 HydrophobicContact CD1-CD2 3.86Å; I180-F186 HydrophobicContact CD1-CE1 4.06Å; I180-F186 HydrophobicContact CD1-CE2 4Å; I180-F186 HydrophobicContact CD1-CG 3.84Å; I180-F186 HydrophobicContact CD1-CZ 4.08Å; I180-F186 HydrophobicContact CG2-CB 4.04Å; I180-F186 HydrophobicContact CG2-CG 4.4Å; H182-F186 PolarHBondContact O-N 2.91Å; L183-F186 PolarHBondContact O-N 3.31Å; F186-I188 VanDerWaalsContact C-N 3.3Å; F186-I188 PolarHBondContact O-N 3.28Å; F186-T189 WeakPolarHBondContact CA-OG1 3.35Å; F186-T189 PolarHBondContact O-N 3.21Å; F186-T189 PolarHBondContact O-OG1 3.18Å; F186-T189 VanDerWaalsContact O-OG1 3.12Å; F186-S190 WeakPolarHBondContact O-CB 3.43Å; F186-S190 PolarHBondContact O-N 3.47Å; F186-I807 HydrophobicContact CD2-CG2 4.39Å; F186-I807 HydrophobicContact CE2-CG2 3.59Å; F186-I807 HydrophobicContact CZ-CG2 4.18Å; F186-T811 HydrophobicContact CE2-CG2 4.02Å; F186-L866 HydrophobicContact CE1-CD2 4.2Å
187	F	88.2	Confident	88.8	Confident	94 Å²	94	41.4 Å²	41.4	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-37.8	177.8	-83.5	-60.9	0	0	0	112	L183 S184 V185 S191 L866	L183-F187 HydrophobicContact CB-CD2 4.42Å; L183-F187 HydrophobicContact CB-CE2 4.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.49Å; L183-F187 PolarHBondContact O-N 3.43Å; S184-F187 PolarHBondContact O-N 3.1Å; V185-F187 PolarHBondContact O-N 2.86Å; F187-S191 VanDerWaalsContact O-CB 3.22Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 3.32Å; F187-S191 PolarHBondContact O-OG 3.27Å; F187-L866 HydrophobicContact CE1-CD1 4.05Å; F187-L866 HydrophobicContact CE1-CD2 4.14Å; F187-L866 HydrophobicContact CZ-CD2 4.1Å
188	I	88.1	Confident	89	Confident	46 Å²	46	40.7 Å²	40.7	24%	0.236	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-51.1	177.8	-70.8	166.4	0	0	0	109.9	S184 V185 F186 S190 S191 W192 C230 A234	S184-I188 WeakPolarHBondContact O-CG1 3.35Å; S184-I188 PolarHBondContact O-N 3.27Å; V185-I188 PolarHBondContact O-N 3.38Å; V185-I188 VanDerWaalsContact O-N 3.13Å; F186-I188 VanDerWaalsContact C-N 3.3Å; F186-I188 PolarHBondContact O-N 3.28Å; I188-S190 PolarHBondContact O-N 2.92Å; I188-S191 PolarHBondContact O-N 3.37Å; I188-W192 VanDerWaalsContact O-CD1 3.24Å; I188-W192 PolarHBondContact O-N 3.29Å; I188-C230 HydrophobicContact CG2-CB 4.28Å; I188-A234 HydrophobicContact CD1-CB 3.21Å
189	T	87.2	Confident	89.2	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-41.4	-178.7	57.7	0	0	0	0	111.9	L119 V185 F186 W192 S193	L119-T189 HydrophobicContact CD1-CG2 3.84Å; L119-T189 HydrophobicContact CD2-CG2 3.79Å; L119-T189 HydrophobicContact CG-CG2 4.41Å; V185-T189 HydrophobicContact CG1-CG2 4.18Å; V185-T189 WeakPolarHBondContact O-CG2 3.42Å; V185-T189 PolarHBondContact O-N 3.43Å; V185-T189 PolarHBondContact O-OG1 3.14Å; F186-T189 WeakPolarHBondContact CA-OG1 3.35Å; F186-T189 PolarHBondContact O-N 3.21Å; F186-T189 PolarHBondContact O-OG1 3.18Å; F186-T189 VanDerWaalsContact O-OG1 3.12Å; T189-W192 PolarHBondContact O-N 3.29Å; T189-S193 VanDerWaalsContact O-CB 3.23Å; T189-S193 WeakPolarHBondContact O-CB 3.48Å; T189-S193 PolarHBondContact O-N 3.24Å
190	S	89.1	Confident	89.3	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-40.2	176.4	178.8	0	0	0	0	112.3	F186 I188 S193 L194 I862	F186-S190 WeakPolarHBondContact O-CB 3.43Å; F186-S190 PolarHBondContact O-N 3.47Å; I188-S190 PolarHBondContact O-N 2.92Å; S190-S193 PolarHBondContact O-N 3.34Å; S190-L194 PolarHBondContact O-N 3.11Å; S190-I862 WeakPolarHBondContact OG-CD1 2.98Å
191	S	91.5	Very high	89.6	Confident	72 Å²	72	35.4 Å²	35.4	50%	0.503	18%	0.177	S	C	.	.	H	α-helix	trans	-66.2	-43.5	176.8	-59.8	0	0	0	0	111.6	F187 I188 F195	F187-S191 VanDerWaalsContact O-CB 3.22Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 3.32Å; F187-S191 PolarHBondContact O-OG 3.27Å; I188-S191 PolarHBondContact O-N 3.37Å; S191-F195 VanDerWaalsContact O-CB 3.29Å; S191-F195 WeakPolarHBondContact O-CB 3.23Å; S191-F195 PolarHBondContact O-N 3.43Å
192	W	93.6	Very high	90.2	Very high	51 Å²	51	30.3 Å²	30.3	19%	0.193	16%	0.156	C	C	.	.	H	α-helix	trans	-69.3	-33.3	176.4	-83.4	102.2	0	0	0	112.7	I188 T189 F195 A196 F223 I226 I227 F819	I188-W192 VanDerWaalsContact O-CD1 3.24Å; I188-W192 PolarHBondContact O-N 3.29Å; T189-W192 PolarHBondContact O-N 3.29Å; W192-F195 AromaticContact CE3-CD1 3.69Å; W192-F195 HydrophobicContact CE3-CD1 3.69Å; W192-F195 HydrophobicContact CE3-CE1 4.28Å; W192-F195 AromaticContact CZ3-CD1 3.68Å; W192-F195 HydrophobicContact CZ3-CD1 3.68Å; W192-F195 AromaticContact CZ3-CE1 3.79Å; W192-F195 HydrophobicContact CZ3-CE1 3.79Å; W192-F195 PolarHBondContact O-N 3.02Å; W192-A196 WeakPolarHBondContact O-CB 3.35Å; W192-A196 PolarHBondContact O-N 3.45Å; W192-F223 AromaticContact CH2-CD1 4Å; W192-F223 HydrophobicContact CH2-CD1 4Å; W192-F223 HydrophobicContact CH2-CE1 4.4Å; W192-F223 HydrophobicContact CZ3-CB 4.21Å; W192-F223 AromaticContact CZ3-CD1 3.78Å; W192-F223 HydrophobicContact CZ3-CD1 3.78Å; W192-F223 HydrophobicContact CZ3-CE1 4.37Å; W192-F223 HydrophobicContact CZ3-CG 4.04Å; W192-I226 HydrophobicContact CH2-CG2 3.75Å; W192-I226 HydrophobicContact CZ2-CG2 3.8Å; W192-I227 HydrophobicContact CB-CB 4.46Å; W192-I227 HydrophobicContact CB-CD1 3.36Å; W192-I227 HydrophobicContact CB-CG1 3.77Å; W192-I227 HydrophobicContact CD2-CB 4.2Å; W192-I227 HydrophobicContact CD2-CG1 4.3Å; W192-I227 HydrophobicContact CG-CB 4.17Å; W192-I227 HydrophobicContact CG-CD1 3.93Å; W192-I227 HydrophobicContact CG-CG1 3.73Å; W192-F819 AromaticContact CE3-CE2 3.85Å; W192-F819 HydrophobicContact CE3-CE2 3.85Å; W192-F819 AromaticContact CE3-CZ 3.73Å; W192-F819 HydrophobicContact CE3-CZ 3.73Å; W192-F819 HydrophobicContact CZ3-CZ 4.19Å
193	S	92.2	Very high	90.8	Very high	5 Å²	5	27 Å²	27	4%	0.035	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-51	172.9	177	0	0	0	0	111.2	T189 S190 F195 A196 Y197 T811 N814	T189-S193 VanDerWaalsContact O-CB 3.23Å; T189-S193 WeakPolarHBondContact O-CB 3.48Å; T189-S193 PolarHBondContact O-N 3.24Å; S190-S193 PolarHBondContact O-N 3.34Å; S193-F195 PolarHBondContact O-N 3.45Å; S193-A196 WeakPolarHBondContact O-CB 3.35Å; S193-A196 PolarHBondContact O-N 3.41Å; S193-Y197 VanDerWaalsContact O-CD2 3.3Å; S193-Y197 WeakPolarHBondContact O-CD2 3.42Å; S193-T811 WeakPolarHBondContact CB-O 3.44Å; S193-T811 PolarHBondContact OG-O 3.15Å; S193-N814 WeakPolarHBondContact OG-CB 3.43Å
194	L	93.1	Very high	91.2	Very high	31 Å²	31	25.5 Å²	25.5	16%	0.162	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-42.6	174.4	-74.9	175.1	0	0	0	112.4	S190 A196 Y197 L198 A858 L859 I862	S190-L194 PolarHBondContact O-N 3.11Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 2.83Å; L194-Y197 PolarHBondContact O-N 3.03Å; L194-L198 WeakPolarHBondContact O-CB 3.1Å; L194-L198 PolarHBondContact O-N 3.26Å; L194-A858 HydrophobicContact CD2-CB 3.5Å; L194-A858 VanDerWaalsContact CD2-CB 3.5Å; L194-L859 HydrophobicContact CD1-CD2 3.54Å; L194-L859 HydrophobicContact CD1-CG 4.31Å; L194-I862 HydrophobicContact CD1-CD1 3.57Å; L194-I862 HydrophobicContact CD2-CD1 3.94Å; L194-I862 HydrophobicContact CG-CD1 3.72Å
195	F	95.5	Very high	91.5	Very high	50 Å²	50	24.5 Å²	24.5	22%	0.219	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-34.5	177.8	176.4	-106.9	0	0	0	111.9	S191 W192 S193 Y197 L198 W199 F223 F819	S191-F195 VanDerWaalsContact O-CB 3.29Å; S191-F195 WeakPolarHBondContact O-CB 3.23Å; S191-F195 PolarHBondContact O-N 3.43Å; W192-F195 AromaticContact CE3-CD1 3.69Å; W192-F195 HydrophobicContact CE3-CD1 3.69Å; W192-F195 HydrophobicContact CE3-CE1 4.28Å; W192-F195 AromaticContact CZ3-CD1 3.68Å; W192-F195 HydrophobicContact CZ3-CD1 3.68Å; W192-F195 AromaticContact CZ3-CE1 3.79Å; W192-F195 HydrophobicContact CZ3-CE1 3.79Å; W192-F195 PolarHBondContact O-N 3.02Å; S193-F195 PolarHBondContact O-N 3.45Å; F195-Y197 PolarHBondContact O-N 2.88Å; F195-L198 PolarHBondContact O-N 3.46Å; F195-W199 HydrophobicContact CE1-CB 4.26Å; F195-W199 HydrophobicContact CE2-CB 4.43Å; F195-W199 HydrophobicContact CE2-CE3 4.27Å; F195-W199 HydrophobicContact CZ-CB 4.17Å; F195-W199 HydrophobicContact CZ-CD2 4.24Å; F195-W199 AromaticContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CG 4.43Å; F195-W199 WeakPolarHBondContact O-CA 3.46Å; F195-W199 WeakPolarHBondContact O-CB 3.29Å; F195-W199 PolarHBondContact O-N 3.29Å; F195-F223 HydrophobicContact CE1-CD2 4.19Å; F195-F223 HydrophobicContact CE1-CE1 4.49Å; F195-F223 AromaticContact CE1-CE2 3.87Å; F195-F223 HydrophobicContact CE1-CE2 3.87Å; F195-F223 HydrophobicContact CE1-CZ 4.05Å; F195-F223 HydrophobicContact CZ-CE2 4.23Å; F195-F223 HydrophobicContact CZ-CZ 4.25Å; F195-F819 HydrophobicContact CD1-CZ 4.14Å
196	A	95	Very high	91.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-47.1	179.5	0	0	0	0	0	111.8	W192 S193 L194 W199 M200 V818 F819	W192-A196 WeakPolarHBondContact O-CB 3.35Å; W192-A196 PolarHBondContact O-N 3.45Å; S193-A196 WeakPolarHBondContact O-CB 3.35Å; S193-A196 PolarHBondContact O-N 3.41Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 2.83Å; A196-W199 PolarHBondContact O-N 3.38Å; A196-M200 PolarHBondContact O-N 3.01Å; A196-V818 HydrophobicContact CB-CB 3.75Å; A196-V818 HydrophobicContact CB-CG1 3.96Å; A196-V818 HydrophobicContact CB-CG2 4.11Å; A196-V818 WeakPolarHBondContact O-CG1 3.22Å; A196-F819 HydrophobicContact CB-CD1 4.19Å; A196-F819 HydrophobicContact CB-CD2 4.34Å; A196-F819 HydrophobicContact CB-CE1 3.57Å; A196-F819 HydrophobicContact CB-CE2 3.75Å; A196-F819 HydrophobicContact CB-CZ 3.31Å
197	Y	95.3	Very high	92.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.2	-38.6	177	-70.4	-84.5	0	0	0	112.1	I153 V154 A157 S193 L194 F195 W199 M200 Y201 N814 V818 V851 Y854	I153-Y197 HydrophobicContact CG2-CE1 4.32Å; I153-Y197 PolarHBondContact O-OH 2.84Å; V154-Y197 HydrophobicContact CB-CE1 4.44Å; V154-Y197 HydrophobicContact CG2-CD1 4.32Å; V154-Y197 HydrophobicContact CG2-CE1 4.06Å; A157-Y197 HydrophobicContact CB-CE1 4.07Å; A157-Y197 HydrophobicContact CB-CE2 3.99Å; A157-Y197 VanDerWaalsContact CB-CZ 3.41Å; A157-Y197 WeakPolarHBondContact CB-OH 3.4Å; S193-Y197 VanDerWaalsContact O-CD2 3.3Å; S193-Y197 WeakPolarHBondContact O-CD2 3.42Å; L194-Y197 PolarHBondContact O-N 3.03Å; F195-Y197 PolarHBondContact O-N 2.88Å; Y197-W199 VanDerWaalsContact C-N 3.31Å; Y197-W199 PolarHBondContact O-N 3.36Å; Y197-M200 WeakPolarHBondContact O-CB 3.31Å; Y197-M200 PolarHBondContact O-N 3.45Å; Y197-Y201 PolarHBondContact O-N 2.92Å; Y197-N814 HydrophobicContact CE2-CB 4.17Å; Y197-N814 WeakPolarHBondContact CE2-O 3.27Å; Y197-N814 PolarHBondContact OH-O 3.42Å; Y197-V818 HydrophobicContact CD1-CG2 3.98Å; Y197-V818 HydrophobicContact CD2-CG2 4.1Å; Y197-V818 HydrophobicContact CE1-CG2 3.57Å; Y197-V818 HydrophobicContact CE2-CG2 3.69Å; Y197-V818 HydrophobicContact CG-CG2 4.21Å; Y197-V851 WeakPolarHBondContact O-CG1 3.26Å; Y197-Y854 AromaticContact CD1-CD1 3.92Å; Y197-Y854 HydrophobicContact CD1-CD1 3.92Å; Y197-Y854 AromaticContact CD1-CE1 3.97Å; Y197-Y854 HydrophobicContact CD1-CE1 3.97Å; Y197-Y854 HydrophobicContact CD2-CD1 4.18Å; Y197-Y854 AromaticContact CD2-CE1 3.45Å; Y197-Y854 HydrophobicContact CD2-CE1 3.45Å; Y197-Y854 VanDerWaalsContact CD2-CE1 3.45Å; Y197-Y854 HydrophobicContact CE1-CD1 4.49Å; Y197-Y854 HydrophobicContact CE1-CE1 4.33Å; Y197-Y854 AromaticContact CE2-CE1 3.88Å; Y197-Y854 HydrophobicContact CE2-CE1 3.88Å; Y197-Y854 AromaticContact CG-CD1 3.76Å; Y197-Y854 HydrophobicContact CG-CD1 3.76Å; Y197-Y854 AromaticContact CG-CE1 3.52Å; Y197-Y854 HydrophobicContact CG-CE1 3.52Å
198	L	94.3	Very high	92.2	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.225	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-42.1	172.8	-176.2	65.8	0	0	0	111.3	V10 L194 F195 Y201 L202	V10-L198 HydrophobicContact CG2-CD2 4.33Å; L194-L198 WeakPolarHBondContact O-CB 3.1Å; L194-L198 PolarHBondContact O-N 3.26Å; F195-L198 PolarHBondContact O-N 3.46Å; L198-Y201 HydrophobicContact CD1-CD1 4.45Å; L198-Y201 WeakPolarHBondContact O-CB 3.4Å; L198-Y201 PolarHBondContact O-N 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.26Å; L198-L202 PolarHBondContact O-N 3.32Å
199	W	95.5	Very high	92.2	Very high	20 Å²	20	29.3 Å²	29.3	8%	0.076	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-43.8	176.7	177.4	-100.4	0	0	0	111.3	F195 A196 Y197 Y201 L202 I203 F207 W215 L219 T220 F223	F195-W199 HydrophobicContact CE1-CB 4.26Å; F195-W199 HydrophobicContact CE2-CB 4.43Å; F195-W199 HydrophobicContact CE2-CE3 4.27Å; F195-W199 HydrophobicContact CZ-CB 4.17Å; F195-W199 HydrophobicContact CZ-CD2 4.24Å; F195-W199 AromaticContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CG 4.43Å; F195-W199 WeakPolarHBondContact O-CA 3.46Å; F195-W199 WeakPolarHBondContact O-CB 3.29Å; F195-W199 PolarHBondContact O-N 3.29Å; A196-W199 PolarHBondContact O-N 3.38Å; Y197-W199 VanDerWaalsContact C-N 3.31Å; Y197-W199 PolarHBondContact O-N 3.36Å; W199-Y201 VanDerWaalsContact C-N 3.26Å; W199-Y201 PolarHBondContact O-N 3Å; W199-L202 HydrophobicContact CE3-CD1 4.33Å; W199-L202 WeakPolarHBondContact O-CB 3.41Å; W199-L202 PolarHBondContact O-N 3.34Å; W199-L202 VanDerWaalsContact O-N 3.08Å; W199-I203 HydrophobicContact CD2-CG2 4.27Å; W199-I203 HydrophobicContact CH2-CG2 4.47Å; W199-I203 HydrophobicContact CZ2-CG2 3.76Å; W199-I203 WeakPolarHBondContact O-CG1 3.2Å; W199-I203 PolarHBondContact O-N 3.22Å; W199-F207 HydrophobicContact CE3-CE2 4.45Å; W199-F207 AromaticContact CH2-CE2 3.84Å; W199-F207 HydrophobicContact CH2-CE2 3.84Å; W199-F207 AromaticContact CZ3-CE2 3.68Å; W199-F207 HydrophobicContact CZ3-CE2 3.68Å; W199-F207 HydrophobicContact CZ3-CZ 4.4Å; W199-W215 HydrophobicContact CH2-CZ3 4.4Å; W199-L219 HydrophobicContact CH2-CD2 3.77Å; W199-L219 HydrophobicContact CZ2-CD2 3.77Å; W199-L219 HydrophobicContact CZ2-CG 4.28Å; W199-T220 PolarHBondContact NE1-OG1 2.74Å; W199-F223 AromaticContact CD2-CE2 3.72Å; W199-F223 HydrophobicContact CD2-CE2 3.72Å; W199-F223 AromaticContact CE2-CE2 3.61Å; W199-F223 HydrophobicContact CE3-CE2 4.15Å; W199-F223 HydrophobicContact CG-CE2 4.11Å; W199-F223 HydrophobicContact CH2-CE2 4.36Å; W199-F223 AromaticContact CZ2-CE2 3.97Å; W199-F223 HydrophobicContact CZ2-CE2 3.97Å; W199-F223 HydrophobicContact CZ3-CE2 4.43Å; W199-F223 AromaticContact NE1-CE2 3.87Å
200	M	92.8	Very high	92.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-42.3	172.6	-173.2	-172.8	-58.7	0	0	111.7	V154 A196 Y197 I203 I204 V818 I822 W826 L847 V851	V154-M200 HydrophobicContact CG2-SD 4.33Å; A196-M200 PolarHBondContact O-N 3.01Å; Y197-M200 WeakPolarHBondContact O-CB 3.31Å; Y197-M200 PolarHBondContact O-N 3.45Å; M200-I203 VanDerWaalsContact O-CG1 3.23Å; M200-I203 WeakPolarHBondContact O-CG1 3.3Å; M200-I204 VanDerWaalsContact O-CG1 3.28Å; M200-I204 WeakPolarHBondContact O-CG1 3.47Å; M200-I204 PolarHBondContact O-N 2.96Å; M200-V818 HydrophobicContact CB-CG1 4.43Å; M200-V818 HydrophobicContact CE-CB 4.03Å; M200-V818 HydrophobicContact CE-CG1 3.52Å; M200-V818 HydrophobicContact CE-CG2 3.53Å; M200-I822 HydrophobicContact CE-CB 4.3Å; M200-I822 HydrophobicContact CE-CG1 3.72Å; M200-I822 HydrophobicContact CE-CG2 4.41Å; M200-W826 HydrophobicContact CG-CH2 4.07Å; M200-W826 HydrophobicContact CG-CZ3 4.49Å; M200-L847 HydrophobicContact SD-CD1 4.48Å; M200-V851 HydrophobicContact SD-CG2 3.73Å
201	Y	92.6	Very high	92.4	Very high	18 Å²	18	30.6 Å²	30.6	7%	0.071	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-42.6	173.9	169.7	-102.1	0	0	0	112.5	I13 Y197 L198 W199 I203 I204 A205 V206 T852 F913	I13-Y201 HydrophobicContact CG2-CE1 3.78Å; Y197-Y201 PolarHBondContact O-N 2.92Å; L198-Y201 HydrophobicContact CD1-CD1 4.45Å; L198-Y201 WeakPolarHBondContact O-CB 3.4Å; L198-Y201 PolarHBondContact O-N 3.28Å; W199-Y201 VanDerWaalsContact C-N 3.26Å; W199-Y201 PolarHBondContact O-N 3Å; Y201-I203 PolarHBondContact O-N 3.48Å; Y201-I204 PolarHBondContact O-N 3.08Å; Y201-A205 HydrophobicContact CD2-CB 4.01Å; Y201-A205 HydrophobicContact CE2-CB 3.67Å; Y201-A205 WeakPolarHBondContact O-CB 3.29Å; Y201-A205 PolarHBondContact O-N 3.16Å; Y201-V206 HydrophobicContact CD1-CG2 4.39Å; Y201-V206 HydrophobicContact CE1-CG2 3.84Å; Y201-T852 WeakPolarHBondContact CD2-OG1 3.39Å; Y201-F913 HydrophobicContact CD2-CZ 4.43Å; Y201-F913 AromaticContact CE2-CE1 3.84Å; Y201-F913 HydrophobicContact CE2-CE1 3.84Å; Y201-F913 AromaticContact CE2-CE2 3.98Å; Y201-F913 HydrophobicContact CE2-CE2 3.98Å; Y201-F913 AromaticContact CE2-CZ 3.48Å; Y201-F913 HydrophobicContact CE2-CZ 3.48Å; Y201-F913 VanDerWaalsContact CE2-CZ 3.48Å
202	L	93.3	Very high	92.6	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-43.4	179.8	-68.5	176.7	0	0	0	112.3	I13 L198 W199 V206 F207	I13-L202 HydrophobicContact CD1-CD2 3.88Å; I13-L202 HydrophobicContact CG2-CD2 4.32Å; L198-L202 WeakPolarHBondContact O-CG 3.26Å; L198-L202 PolarHBondContact O-N 3.32Å; W199-L202 HydrophobicContact CE3-CD1 4.33Å; W199-L202 WeakPolarHBondContact O-CB 3.41Å; W199-L202 PolarHBondContact O-N 3.34Å; W199-L202 VanDerWaalsContact O-N 3.08Å; L202-V206 HydrophobicContact CD2-CB 4.14Å; L202-V206 HydrophobicContact CD2-CG1 4.34Å; L202-V206 HydrophobicContact CD2-CG2 3.97Å; L202-V206 CarbonylContact O-C 3.52Å; L202-V206 WeakPolarHBondContact O-CA 3.42Å; L202-V206 WeakPolarHBondContact O-CB 3.21Å; L202-V206 PolarHBondContact O-N 3.19Å; L202-F207 HydrophobicContact CB-CD2 4.38Å; L202-F207 HydrophobicContact CB-CE2 4.07Å; L202-F207 HydrophobicContact CB-CZ 4.29Å; L202-F207 HydrophobicContact CD1-CZ 4.27Å; L202-F207 PolarHBondContact O-N 3.46Å
203	I	93.3	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-71	-38.9	-178	61.2	-172.8	0	0	0	112.3	W199 M200 Y201 F207 E216 W826	W199-I203 HydrophobicContact CD2-CG2 4.27Å; W199-I203 HydrophobicContact CH2-CG2 4.47Å; W199-I203 HydrophobicContact CZ2-CG2 3.76Å; W199-I203 WeakPolarHBondContact O-CG1 3.2Å; W199-I203 PolarHBondContact O-N 3.22Å; M200-I203 VanDerWaalsContact O-CG1 3.23Å; M200-I203 WeakPolarHBondContact O-CG1 3.3Å; Y201-I203 PolarHBondContact O-N 3.48Å; I203-F207 HydrophobicContact CG2-CD2 4.28Å; I203-E216 HydrophobicContact CG2-CB 4.11Å; I203-E216 HydrophobicContact CG2-CG 4.33Å; I203-W826 HydrophobicContact CD1-CE3 3.93Å; I203-W826 HydrophobicContact CD1-CZ3 3.46Å; I203-W826 VanDerWaalsContact CD1-CZ3 3.46Å; I203-W826 HydrophobicContact CG1-CZ3 4Å
204	I	91.2	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-82.5	-26.9	-177.5	68.1	-171.2	0	0	0	114.3	M200 Y201 P209 G210 V212 W826 V842 P844 L847	M200-I204 VanDerWaalsContact O-CG1 3.28Å; M200-I204 WeakPolarHBondContact O-CG1 3.47Å; M200-I204 PolarHBondContact O-N 2.96Å; Y201-I204 PolarHBondContact O-N 3.08Å; I204-P209 WeakPolarHBondContact O-CA 3.46Å; I204-G210 PolarHBondContact O-N 3.49Å; I204-G210 VanDerWaalsContact O-N 3.15Å; I204-V212 HydrophobicContact CG2-CG2 4.47Å; I204-W826 HydrophobicContact CG2-CH2 3.61Å; I204-W826 HydrophobicContact CG2-CZ3 3.87Å; I204-V842 HydrophobicContact CG2-CG1 4.06Å; I204-P844 HydrophobicContact CB-CB 4.44Å; I204-P844 HydrophobicContact CG1-CB 4.21Å; I204-L847 HydrophobicContact CD1-CD2 4.28Å; I204-L847 HydrophobicContact CD1-CG 4.2Å
205	A	88.8	Confident	92.9	Very high	27 Å²	27	35.7 Å²	35.7	22%	0.223	19%	0.185	C	C	.	.	I	π-helix	trans	-120.6	-20	-170	0	0	0	0	0	114.9	Y201 P844	Y201-A205 HydrophobicContact CD2-CB 4.01Å; Y201-A205 HydrophobicContact CE2-CB 3.67Å; Y201-A205 WeakPolarHBondContact O-CB 3.29Å; Y201-A205 PolarHBondContact O-N 3.16Å; A205-P844 HydrophobicContact CB-CB 4.28Å
206	V	90.5	Very high	92.9	Very high	53 Å²	53	33.3 Å²	33.3	32%	0.321	17%	0.174	S	C	.	.	I	π-helix	trans	-118.5	-52.4	-168.2	-174.9	0	0	0	0	113.1	I13 Y201 L202	I13-V206 HydrophobicContact CG2-CG1 4.32Å; I13-V206 HydrophobicContact CG2-CG2 3.58Å; Y201-V206 HydrophobicContact CD1-CG2 4.39Å; Y201-V206 HydrophobicContact CE1-CG2 3.84Å; L202-V206 HydrophobicContact CD2-CB 4.14Å; L202-V206 HydrophobicContact CD2-CG1 4.34Å; L202-V206 HydrophobicContact CD2-CG2 3.97Å; L202-V206 CarbonylContact O-C 3.52Å; L202-V206 WeakPolarHBondContact O-CA 3.42Å; L202-V206 WeakPolarHBondContact O-CB 3.21Å; L202-V206 PolarHBondContact O-N 3.19Å
207	F	92.2	Very high	92.9	Very high	98 Å²	98	33.3 Å²	33.3	43%	0.43	17%	0.174	S	C	.	.	I	π-helix	trans	-76	-60	-176.5	-65.9	-24.5	0	0	0	111.7	W199 L202 I203 W215 E216	W199-F207 HydrophobicContact CE3-CE2 4.45Å; W199-F207 AromaticContact CH2-CE2 3.84Å; W199-F207 HydrophobicContact CH2-CE2 3.84Å; W199-F207 AromaticContact CZ3-CE2 3.68Å; W199-F207 HydrophobicContact CZ3-CE2 3.68Å; W199-F207 HydrophobicContact CZ3-CZ 4.4Å; L202-F207 HydrophobicContact CB-CD2 4.38Å; L202-F207 HydrophobicContact CB-CE2 4.07Å; L202-F207 HydrophobicContact CB-CZ 4.29Å; L202-F207 HydrophobicContact CD1-CZ 4.27Å; L202-F207 PolarHBondContact O-N 3.46Å; I203-F207 HydrophobicContact CG2-CD2 4.28Å; F207-W215 HydrophobicContact CD2-CH2 4.48Å; F207-E216 WeakPolarHBondContact CB-OE1 3.31Å
208	T	90.3	Very high	93	Very high	28 Å²	28	36.5 Å²	36.5	17%	0.172	19%	0.191	C	C	.	.	S	Bend	trans	-129.9	85.6	177.1	43.4	0	0	0	0	109.1	G210 V211 E213 E216	T208-G210 PolarHBondContact O-N 3.41Å; T208-G210 VanDerWaalsContact O-N 3.15Å; T208-V211 WeakPolarHBondContact CB-O 3.47Å; T208-V211 PolarHBondContact O-N 3.13Å; T208-V211 VanDerWaalsContact O-N 3.13Å; T208-V211 PolarHBondContact OG1-O 3.37Å; T208-E213 HydrophobicContact CG2-CG 4.15Å; T208-E216 VanDerWaalsContact OG1-CD 3.29Å; T208-E216 PolarHBondContact OG1-OE1 2.86Å; T208-E216 VanDerWaalsContact OG1-OE1 3.09Å; T208-E216 PolarHBondContact OG1-OE2 2.85Å
209	P	89.1	Confident	93.1	Very high	87 Å²	87	37 Å²	37	57%	0.565	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	123.8	-173.1	24.9	-34.1	0	0	0	111	I204 V211	I204-P209 WeakPolarHBondContact O-CA 3.46Å; P209-V211 VanDerWaalsContact C-N 3.28Å; P209-V211 PolarHBondContact O-N 3.32Å
210	G	87.8	Confident	93.2	Very high	8 Å²	8	36 Å²	36	8%	0.082	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-4.1	177.7	0	0	0	0	0	116.1	I204 T208 L841 V842	I204-G210 PolarHBondContact O-N 3.49Å; I204-G210 VanDerWaalsContact O-N 3.15Å; T208-G210 PolarHBondContact O-N 3.41Å; T208-G210 VanDerWaalsContact O-N 3.15Å; G210-L841 WeakPolarHBondContact O-CA 3.42Å; G210-V842 CarbonylContact C-O 3.59Å; G210-V842 VanDerWaalsContact CA-O 3.26Å; G210-V842 WeakPolarHBondContact CA-O 3.28Å; G210-V842 PolarHBondContact O-N 2.91Å
211	V	92.7	Very high	93.3	Very high	29 Å²	29	39.5 Å²	39.5	18%	0.176	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-134.9	125.9	-176.9	-176.6	0	0	0	0	109.3	T208 P209 Q839 F840 L841	T208-V211 WeakPolarHBondContact CB-O 3.47Å; T208-V211 PolarHBondContact O-N 3.13Å; T208-V211 VanDerWaalsContact O-N 3.13Å; T208-V211 PolarHBondContact OG1-O 3.37Å; P209-V211 VanDerWaalsContact C-N 3.28Å; P209-V211 PolarHBondContact O-N 3.32Å; V211-Q839 HydrophobicContact CG1-CB 3.99Å; V211-Q839 HydrophobicContact CG1-CG 4.36Å; V211-F840 WeakPolarHBondContact CA-O 3.43Å; V211-L841 HydrophobicContact CG2-CD2 3.88Å
212	V	94.6	Very high	93.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	22%	0.223	C	C	.	.			trans	-100	117.6	174.5	173.9	0	0	0	0	109.4	I204 E216 A217 W826 F840 V842	I204-V212 HydrophobicContact CG2-CG2 4.47Å; V212-E216 HydrophobicContact CG1-CB 4.37Å; V212-A217 HydrophobicContact CG1-CB 4.03Å; V212-W826 HydrophobicContact CG1-CE3 4.06Å; V212-W826 HydrophobicContact CG2-CE3 3.93Å; V212-W826 HydrophobicContact CG2-CZ3 3.98Å; V212-F840 HydrophobicContact CB-CD1 3.83Å; V212-F840 HydrophobicContact CB-CE1 4.24Å; V212-F840 HydrophobicContact CG1-CD1 4.32Å; V212-F840 PolarHBondContact N-O 3.09Å; V212-V842 HydrophobicContact CB-CG2 4.24Å; V212-V842 HydrophobicContact CG2-CB 3.94Å; V212-V842 HydrophobicContact CG2-CG2 3.63Å
213	E	94.8	Very high	93.6	Very high	87 Å²	87	42.8 Å²	42.8	41%	0.407	22%	0.222	S	C	.	.			trans	-77.9	156.3	178.2	-65.8	-169.6	173.7	0	0	111.9	T208 W215 E216 A217	T208-E213 HydrophobicContact CG2-CG 4.15Å; E213-W215 PolarHBondContact O-N 2.94Å; E213-W215 PolarHBondContact OE2-NE1 3.49Å; E213-E216 HydrophobicContact CB-CG 4.18Å; E213-E216 PolarHBondContact N-OE2 3.32Å; E213-E216 PolarHBondContact O-N 3.36Å; E213-E216 VanDerWaalsContact O-N 3.11Å; E213-A217 PolarHBondContact O-N 2.87Å; E213-A217 VanDerWaalsContact O-N 3.09Å
214	V	95.7	Very high	93.6	Very high	51 Å²	51	44.4 Å²	44.4	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-57	-40.1	-179.2	-179.6	0	0	0	0	111.7	L218 A830 I831 A834	V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.3Å; V214-L218 WeakPolarHBondContact O-CB 3.16Å; V214-L218 VanDerWaalsContact O-CG 3.27Å; V214-L218 WeakPolarHBondContact O-CG 3.38Å; V214-L218 PolarHBondContact O-N 3.25Å; V214-A830 HydrophobicContact CG2-CB 4.08Å; V214-I831 HydrophobicContact CG1-CG1 4.03Å; V214-A834 HydrophobicContact CG2-CB 3.69Å
215	W	96	Very high	93.8	Very high	125 Å²	125	47.4 Å²	47.4	47%	0.473	25%	0.249	S	C	.	.	H	α-helix	trans	-70.7	-34.1	-179.7	73.7	-93	0	0	0	112.1	W199 F207 E213 L219	W199-W215 HydrophobicContact CH2-CZ3 4.4Å; F207-W215 HydrophobicContact CD2-CH2 4.48Å; E213-W215 PolarHBondContact O-N 2.94Å; E213-W215 PolarHBondContact OE2-NE1 3.49Å; W215-L219 HydrophobicContact CE3-CD2 4.22Å; W215-L219 HydrophobicContact CZ3-CD2 3.96Å; W215-L219 WeakPolarHBondContact O-CB 3.17Å; W215-L219 PolarHBondContact O-N 2.98Å
216	E	95.6	Very high	94	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-44.8	177.6	-63.9	-180	135	0	0	110.7	I203 F207 T208 V212 E213 L219 T220	I203-E216 HydrophobicContact CG2-CB 4.11Å; I203-E216 HydrophobicContact CG2-CG 4.33Å; F207-E216 WeakPolarHBondContact CB-OE1 3.31Å; T208-E216 VanDerWaalsContact OG1-CD 3.29Å; T208-E216 PolarHBondContact OG1-OE1 2.86Å; T208-E216 VanDerWaalsContact OG1-OE1 3.09Å; T208-E216 PolarHBondContact OG1-OE2 2.85Å; V212-E216 HydrophobicContact CG1-CB 4.37Å; E213-E216 HydrophobicContact CB-CG 4.18Å; E213-E216 PolarHBondContact N-OE2 3.32Å; E213-E216 PolarHBondContact O-N 3.36Å; E213-E216 VanDerWaalsContact O-N 3.11Å; E216-L219 PolarHBondContact O-N 3.42Å; E216-T220 WeakPolarHBondContact O-CB 3.43Å; E216-T220 PolarHBondContact O-N 3.01Å; E216-T220 PolarHBondContact O-OG1 2.95Å
217	A	95.3	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-49	176.9	0	0	0	0	0	111.7	V212 E213 L219 T220 F221 W826 S827 A830	V212-A217 HydrophobicContact CG1-CB 4.03Å; E213-A217 PolarHBondContact O-N 2.87Å; E213-A217 VanDerWaalsContact O-N 3.09Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 3.21Å; A217-T220 WeakPolarHBondContact O-CB 3.39Å; A217-T220 PolarHBondContact O-N 2.89Å; A217-F221 PolarHBondContact O-N 2.89Å; A217-F221 VanDerWaalsContact O-N 3.08Å; A217-W826 HydrophobicContact CB-CB 4.06Å; A217-S827 PolarHBondContact O-OG 3.42Å; A217-S827 VanDerWaalsContact O-OG 3.1Å; A217-A830 HydrophobicContact CB-CB 4.15Å
218	L	96.8	Very high	94.1	Very high	67 Å²	67	42.7 Å²	42.7	35%	0.351	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-39.9	177.7	-74	175.7	0	0	0	112.1	V214 T220 F221 I222 S827 I831	V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.3Å; V214-L218 WeakPolarHBondContact O-CB 3.16Å; V214-L218 VanDerWaalsContact O-CG 3.27Å; V214-L218 WeakPolarHBondContact O-CG 3.38Å; V214-L218 PolarHBondContact O-N 3.25Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-F221 PolarHBondContact O-N 3.23Å; L218-I222 WeakPolarHBondContact O-CB 3.43Å; L218-I222 VanDerWaalsContact O-CG1 3.24Å; L218-I222 WeakPolarHBondContact O-CG1 3.19Å; L218-I222 PolarHBondContact O-N 3.37Å; L218-S827 PolarHBondContact N-OG 2.9Å; L218-I831 HydrophobicContact CD2-CD1 4.37Å
219	L	96.9	Very high	94.2	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.277	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-39.3	177.6	-176.5	60.7	0	0	0	111.3	W199 W215 E216 A217 F221 I222 F223	W199-L219 HydrophobicContact CH2-CD2 3.77Å; W199-L219 HydrophobicContact CZ2-CD2 3.77Å; W199-L219 HydrophobicContact CZ2-CG 4.28Å; W215-L219 HydrophobicContact CE3-CD2 4.22Å; W215-L219 HydrophobicContact CZ3-CD2 3.96Å; W215-L219 WeakPolarHBondContact O-CB 3.17Å; W215-L219 PolarHBondContact O-N 2.98Å; E216-L219 PolarHBondContact O-N 3.42Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 3.21Å; L219-F221 VanDerWaalsContact C-N 3.27Å; L219-F221 PolarHBondContact O-N 3.3Å; L219-I222 PolarHBondContact O-N 3.31Å; L219-F223 HydrophobicContact CD1-CE1 4.06Å; L219-F223 HydrophobicContact CD1-CZ 4.04Å; L219-F223 HydrophobicContact CD2-CE2 4.36Å; L219-F223 HydrophobicContact CD2-CZ 4Å; L219-F223 HydrophobicContact CG-CE1 4.24Å; L219-F223 HydrophobicContact CG-CE2 3.91Å; L219-F223 HydrophobicContact CG-CZ 3.73Å; L219-F223 WeakPolarHBondContact O-CD2 3.48Å; L219-F223 WeakPolarHBondContact O-CG 3.23Å; L219-F223 PolarHBondContact O-N 3.19Å
220	T	96.1	Very high	94.3	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-43.3	172.9	-54.7	0	0	0	0	110.9	W199 E216 A217 L218 F223 F819	W199-T220 PolarHBondContact NE1-OG1 2.74Å; E216-T220 WeakPolarHBondContact O-CB 3.43Å; E216-T220 PolarHBondContact O-N 3.01Å; E216-T220 PolarHBondContact O-OG1 2.95Å; A217-T220 WeakPolarHBondContact O-CB 3.39Å; A217-T220 PolarHBondContact O-N 2.89Å; L218-T220 VanDerWaalsContact C-N 3.33Å; T220-F223 PolarHBondContact O-N 3.18Å; T220-F819 HydrophobicContact CG2-CD1 4.29Å; T220-F819 WeakPolarHBondContact O-CA 3.29Å; T220-F819 WeakPolarHBondContact O-CD1 2.99Å
221	F	95.7	Very high	94.2	Very high	73 Å²	73	43.6 Å²	43.6	32%	0.32	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-40.6	175.1	-177.6	-135.8	0	0	0	113	A217 L218 L219 F223 F224 P225 F819 L820 L824	A217-F221 PolarHBondContact O-N 2.89Å; A217-F221 VanDerWaalsContact O-N 3.08Å; L218-F221 PolarHBondContact O-N 3.23Å; L219-F221 VanDerWaalsContact C-N 3.27Å; L219-F221 PolarHBondContact O-N 3.3Å; F221-F223 VanDerWaalsContact C-N 3.25Å; F221-F223 PolarHBondContact O-N 2.95Å; F221-F224 WeakPolarHBondContact O-CB 3.45Å; F221-F224 PolarHBondContact O-N 3.44Å; F221-F224 VanDerWaalsContact O-N 3.15Å; F221-P225 WeakPolarHBondContact O-CD 3.4Å; F221-F819 WeakPolarHBondContact CA-O 3.46Å; F221-L820 HydrophobicContact CD2-CD1 4.16Å; F221-L820 HydrophobicContact CE2-CD1 3.56Å; F221-L824 HydrophobicContact CZ-CD1 4.47Å
222	I	96.4	Very high	94	Very high	85 Å²	85	47 Å²	47	44%	0.436	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-23.8	177.2	-70.1	164.7	0	0	0	112.3	L218 L219 F224 P225 I226	L218-I222 WeakPolarHBondContact O-CB 3.43Å; L218-I222 VanDerWaalsContact O-CG1 3.24Å; L218-I222 WeakPolarHBondContact O-CG1 3.19Å; L218-I222 PolarHBondContact O-N 3.37Å; L219-I222 PolarHBondContact O-N 3.31Å; I222-F224 PolarHBondContact O-N 2.92Å; I222-P225 WeakPolarHBondContact O-CD 3.22Å; I222-P225 WeakPolarHBondContact O-CG 3.05Å; I222-I226 HydrophobicContact CG2-CD1 3.79Å; I222-I226 HydrophobicContact CG2-CG1 4.34Å; I222-I226 WeakPolarHBondContact O-CG1 3.21Å; I222-I226 PolarHBondContact O-N 3.44Å
223	F	95.9	Very high	93.6	Very high	24 Å²	24	50 Å²	50	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-23.9	173.1	-73.3	-40	0	0	0	113.4	W192 F195 W199 L219 T220 F221 I226 I227 F819	W192-F223 AromaticContact CH2-CD1 4Å; W192-F223 HydrophobicContact CH2-CD1 4Å; W192-F223 HydrophobicContact CH2-CE1 4.4Å; W192-F223 HydrophobicContact CZ3-CB 4.21Å; W192-F223 AromaticContact CZ3-CD1 3.78Å; W192-F223 HydrophobicContact CZ3-CD1 3.78Å; W192-F223 HydrophobicContact CZ3-CE1 4.37Å; W192-F223 HydrophobicContact CZ3-CG 4.04Å; F195-F223 HydrophobicContact CE1-CD2 4.19Å; F195-F223 HydrophobicContact CE1-CE1 4.49Å; F195-F223 AromaticContact CE1-CE2 3.87Å; F195-F223 HydrophobicContact CE1-CE2 3.87Å; F195-F223 HydrophobicContact CE1-CZ 4.05Å; F195-F223 HydrophobicContact CZ-CE2 4.23Å; F195-F223 HydrophobicContact CZ-CZ 4.25Å; W199-F223 AromaticContact CD2-CE2 3.72Å; W199-F223 HydrophobicContact CD2-CE2 3.72Å; W199-F223 AromaticContact CE2-CE2 3.61Å; W199-F223 HydrophobicContact CE3-CE2 4.15Å; W199-F223 HydrophobicContact CG-CE2 4.11Å; W199-F223 HydrophobicContact CH2-CE2 4.36Å; W199-F223 AromaticContact CZ2-CE2 3.97Å; W199-F223 HydrophobicContact CZ2-CE2 3.97Å; W199-F223 HydrophobicContact CZ3-CE2 4.43Å; W199-F223 AromaticContact NE1-CE2 3.87Å; L219-F223 HydrophobicContact CD1-CE1 4.06Å; L219-F223 HydrophobicContact CD1-CZ 4.04Å; L219-F223 HydrophobicContact CD2-CE2 4.36Å; L219-F223 HydrophobicContact CD2-CZ 4Å; L219-F223 HydrophobicContact CG-CE1 4.24Å; L219-F223 HydrophobicContact CG-CE2 3.91Å; L219-F223 HydrophobicContact CG-CZ 3.73Å; L219-F223 WeakPolarHBondContact O-CD2 3.48Å; L219-F223 WeakPolarHBondContact O-CG 3.23Å; L219-F223 PolarHBondContact O-N 3.19Å; T220-F223 PolarHBondContact O-N 3.18Å; F221-F223 VanDerWaalsContact C-N 3.25Å; F221-F223 PolarHBondContact O-N 2.95Å; F223-I226 HydrophobicContact CD1-CD1 3.96Å; F223-I226 HydrophobicContact CE1-CD1 4.46Å; F223-I226 PolarHBondContact O-N 2.91Å; F223-I227 WeakPolarHBondContact O-CG2 3.49Å; F223-I227 PolarHBondContact O-N 3.47Å; F223-F819 HydrophobicContact CB-CD1 3.49Å; F223-F819 VanDerWaalsContact CB-CD1 3.49Å; F223-F819 HydrophobicContact CB-CD2 4.22Å; F223-F819 HydrophobicContact CB-CE1 3.57Å; F223-F819 HydrophobicContact CB-CE2 4.28Å; F223-F819 HydrophobicContact CB-CG 3.85Å; F223-F819 HydrophobicContact CB-CZ 3.98Å; F223-F819 HydrophobicContact CD2-CD1 4.16Å; F223-F819 AromaticContact CD2-CE1 3.78Å; F223-F819 HydrophobicContact CD2-CE1 3.78Å; F223-F819 HydrophobicContact CG-CD1 4.32Å; F223-F819 HydrophobicContact CG-CE1 4.05Å
224	F	94.2	Very high	93.1	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-55.2	175.5	176.5	-116.1	0	0	0	113.4	T120 F221 I222 I226 I227 V228 V816 F819 L820	T120-F224 HydrophobicContact CG2-CZ 4.13Å; F221-F224 WeakPolarHBondContact O-CB 3.45Å; F221-F224 PolarHBondContact O-N 3.44Å; F221-F224 VanDerWaalsContact O-N 3.15Å; I222-F224 PolarHBondContact O-N 2.92Å; F224-I226 PolarHBondContact O-N 3.17Å; F224-I227 WeakPolarHBondContact O-CG2 3.24Å; F224-I227 PolarHBondContact O-N 3.42Å; F224-V228 HydrophobicContact CE2-CG2 4.22Å; F224-V228 HydrophobicContact CZ-CG2 4.44Å; F224-V228 VanDerWaalsContact O-CG2 3.3Å; F224-V228 WeakPolarHBondContact O-CG2 3.29Å; F224-V228 PolarHBondContact O-N 3.33Å; F224-V816 HydrophobicContact CD2-CG1 4.45Å; F224-V816 HydrophobicContact CD2-CG2 4.14Å; F224-V816 HydrophobicContact CE2-CB 4.46Å; F224-V816 HydrophobicContact CE2-CG1 4.02Å; F224-V816 HydrophobicContact CE2-CG2 3.75Å; F224-F819 HydrophobicContact CB-CB 3.85Å; F224-L820 HydrophobicContact CE1-CD2 4.46Å; F224-L820 HydrophobicContact CZ-CD2 4.39Å
225	P	94.3	Very high	92.4	Very high	63 Å²	63	45.7 Å²	45.7	41%	0.409	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-30.5	173.7	21.3	-31.4	0	0	0	112.8	F221 I222 V228 I229	F221-P225 WeakPolarHBondContact O-CD 3.4Å; I222-P225 WeakPolarHBondContact O-CD 3.22Å; I222-P225 WeakPolarHBondContact O-CG 3.05Å; P225-V228 PolarHBondContact O-N 2.99Å; P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.29Å; P225-I229 PolarHBondContact O-N 3.46Å
226	I	94.3	Very high	91.3	Very high	59 Å²	59	41.5 Å²	41.5	30%	0.303	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-47.1	177.6	-68	170.7	0	0	0	111.9	W192 I222 F223 F224 V228 I229 C230	W192-I226 HydrophobicContact CH2-CG2 3.75Å; W192-I226 HydrophobicContact CZ2-CG2 3.8Å; I222-I226 HydrophobicContact CG2-CD1 3.79Å; I222-I226 HydrophobicContact CG2-CG1 4.34Å; I222-I226 WeakPolarHBondContact O-CG1 3.21Å; I222-I226 PolarHBondContact O-N 3.44Å; F223-I226 HydrophobicContact CD1-CD1 3.96Å; F223-I226 HydrophobicContact CE1-CD1 4.46Å; F223-I226 PolarHBondContact O-N 2.91Å; F224-I226 PolarHBondContact O-N 3.17Å; I226-V228 VanDerWaalsContact C-N 3.29Å; I226-V228 PolarHBondContact O-N 3.08Å; I226-I229 PolarHBondContact O-N 2.84Å; I226-C230 WeakPolarHBondContact O-CB 3.09Å; I226-C230 PolarHBondContact O-N 2.8Å; I226-C230 PolarHBondContact O-SG 3.23Å
227	I	92.5	Very high	89.9	Confident	3 Å²	3	47 Å²	47	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-39.9	177.6	-174.8	-175.7	0	0	0	110.7	W192 F223 F224 C230 A231 A815 F819	W192-I227 HydrophobicContact CB-CB 4.46Å; W192-I227 HydrophobicContact CB-CD1 3.36Å; W192-I227 HydrophobicContact CB-CG1 3.77Å; W192-I227 HydrophobicContact CD2-CB 4.2Å; W192-I227 HydrophobicContact CD2-CG1 4.3Å; W192-I227 HydrophobicContact CG-CB 4.17Å; W192-I227 HydrophobicContact CG-CD1 3.93Å; W192-I227 HydrophobicContact CG-CG1 3.73Å; F223-I227 WeakPolarHBondContact O-CG2 3.49Å; F223-I227 PolarHBondContact O-N 3.47Å; F224-I227 WeakPolarHBondContact O-CG2 3.24Å; F224-I227 PolarHBondContact O-N 3.42Å; I227-C230 PolarHBondContact O-N 3.22Å; I227-A231 WeakPolarHBondContact O-CB 3.48Å; I227-A231 PolarHBondContact O-N 3.49Å; I227-A815 HydrophobicContact CD1-CB 3.81Å; I227-F819 HydrophobicContact CG2-CD2 4.33Å
228	V	91.9	Very high	87.9	Confident	17 Å²	17	50.9 Å²	50.9	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-47	178.6	174.3	0	0	0	0	110.9	V116 T120 F224 P225 I226 A231 Y232	V116-V228 HydrophobicContact CB-CG1 4.46Å; V116-V228 HydrophobicContact CG1-CG1 3.84Å; V116-V228 HydrophobicContact CG2-CG1 4.23Å; T120-V228 HydrophobicContact CG2-CB 4.28Å; T120-V228 HydrophobicContact CG2-CG1 3.73Å; T120-V228 HydrophobicContact CG2-CG2 3.49Å; T120-V228 VanDerWaalsContact CG2-CG2 3.49Å; F224-V228 HydrophobicContact CE2-CG2 4.22Å; F224-V228 HydrophobicContact CZ-CG2 4.44Å; F224-V228 VanDerWaalsContact O-CG2 3.3Å; F224-V228 WeakPolarHBondContact O-CG2 3.29Å; F224-V228 PolarHBondContact O-N 3.33Å; P225-V228 PolarHBondContact O-N 2.99Å; I226-V228 VanDerWaalsContact C-N 3.29Å; I226-V228 PolarHBondContact O-N 3.08Å; V228-A231 PolarHBondContact O-N 2.78Å; V228-Y232 WeakPolarHBondContact O-CB 3.33Å; V228-Y232 PolarHBondContact O-N 3.21Å
229	I	91.5	Very high	85.4	Confident	100 Å²	100	54 Å²	54	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-44.4	176.4	-67.8	165.9	0	0	0	110.5	P225 I226 A231 Y232 L233	P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.29Å; P225-I229 PolarHBondContact O-N 3.46Å; I226-I229 PolarHBondContact O-N 2.84Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 3.42Å; I229-Y232 PolarHBondContact O-N 2.87Å; I229-L233 HydrophobicContact CG2-CD1 3.99Å; I229-L233 HydrophobicContact CG2-CG 4.31Å; I229-L233 WeakPolarHBondContact O-CB 3.21Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.24Å; I229-L233 PolarHBondContact O-N 2.92Å
230	C	90.7	Very high	83.1	Confident	43 Å²	43	57.5 Å²	57.5	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-40.5	179.3	-70.1	0	0	0	0	112.2	I188 I226 I227 A234	I188-C230 HydrophobicContact CG2-CB 4.28Å; I226-C230 WeakPolarHBondContact O-CB 3.09Å; I226-C230 PolarHBondContact O-N 2.8Å; I226-C230 PolarHBondContact O-SG 3.23Å; I227-C230 PolarHBondContact O-N 3.22Å; C230-A234 WeakPolarHBondContact O-CB 3.48Å; C230-A234 PolarHBondContact O-N 3Å; C230-A234 VanDerWaalsContact O-N 3.11Å
231	A	87.4	Confident	80.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-43.1	176.1	0	0	0	0	0	111.8	T115 L119 I227 V228 I229 L233 A234 D235	T115-A231 HydrophobicContact CG2-CB 3.83Å; L119-A231 HydrophobicContact CD1-CB 3.19Å; I227-A231 WeakPolarHBondContact O-CB 3.48Å; I227-A231 PolarHBondContact O-N 3.49Å; V228-A231 PolarHBondContact O-N 2.78Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 3.42Å; A231-L233 PolarHBondContact O-N 3.47Å; A231-A234 WeakPolarHBondContact O-CB 3.46Å; A231-A234 PolarHBondContact O-N 3.09Å; A231-A234 VanDerWaalsContact O-N 3.15Å; A231-D235 WeakPolarHBondContact O-CB 3.47Å; A231-D235 PolarHBondContact O-N 2.87Å
232	Y	87.5	Confident	78	Confident	99 Å²	99	67.5 Å²	67.5	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-44.9	174	176	-104.5	0	0	0	112.3	N113 V116 V228 I229 A234 D235 T236	N113-Y232 HydrophobicContact CB-CD2 4.04Å; N113-Y232 HydrophobicContact CB-CE2 3.97Å; V116-Y232 HydrophobicContact CG2-CD2 3.71Å; V116-Y232 HydrophobicContact CG2-CG 4.1Å; V228-Y232 WeakPolarHBondContact O-CB 3.33Å; V228-Y232 PolarHBondContact O-N 3.21Å; I229-Y232 PolarHBondContact O-N 2.87Å; Y232-A234 VanDerWaalsContact C-N 3.25Å; Y232-A234 PolarHBondContact O-N 3.44Å; Y232-D235 PolarHBondContact O-N 3.4Å; Y232-T236 HydrophobicContact CD1-CG2 4.35Å; Y232-T236 HydrophobicContact CD2-CG2 3.92Å; Y232-T236 HydrophobicContact CE1-CG2 3.93Å; Y232-T236 HydrophobicContact CE2-CG2 3.47Å; Y232-T236 VanDerWaalsContact CE2-CG2 3.47Å; Y232-T236 HydrophobicContact CG-CG2 4.35Å; Y232-T236 VanDerWaalsContact CZ-CG2 3.48Å; Y232-T236 WeakPolarHBondContact O-CB 3.2Å; Y232-T236 WeakPolarHBondContact O-CG2 3.44Å; Y232-T236 PolarHBondContact O-N 3.49Å; Y232-T236 PolarHBondContact O-OG1 3.05Å
233	L	87.3	Confident	75	Confident	68 Å²	68	70.7 Å²	70.7	36%	0.356	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-30.6	177.1	-70	176.1	0	0	0	112.8	I229 A231 T236	I229-L233 HydrophobicContact CG2-CD1 3.99Å; I229-L233 HydrophobicContact CG2-CG 4.31Å; I229-L233 WeakPolarHBondContact O-CB 3.21Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.24Å; I229-L233 PolarHBondContact O-N 2.92Å; A231-L233 PolarHBondContact O-N 3.47Å; L233-T236 PolarHBondContact O-OG1 3.36Å
234	A	83.4	Confident	72.4	Confident	12 Å²	12	74 Å²	74	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-75.8	-37.1	176.6	0	0	0	0	0	112.8	V185 I188 C230 A231 Y232	V185-A234 HydrophobicContact CG2-CB 4.48Å; I188-A234 HydrophobicContact CD1-CB 3.21Å; C230-A234 WeakPolarHBondContact O-CB 3.48Å; C230-A234 PolarHBondContact O-N 3Å; C230-A234 VanDerWaalsContact O-N 3.11Å; A231-A234 WeakPolarHBondContact O-CB 3.46Å; A231-A234 PolarHBondContact O-N 3.09Å; A231-A234 VanDerWaalsContact O-N 3.15Å; Y232-A234 VanDerWaalsContact C-N 3.25Å; Y232-A234 PolarHBondContact O-N 3.44Å
235	D	80.1	Confident	69.7	Low	35 Å²	35	80 Å²	80	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-74.1	-45	-179.9	-171.8	43.5	0	0	0	112.3	N113 T115 H182 V185 A231 Y232 K237	N113-D235 PolarHBondContact ND2-OD2 3.26Å; T115-D235 HydrophobicContact CG2-CB 4.23Å; T115-D235 WeakPolarHBondContact OG1-CB 3.3Å; T115-D235 PolarHBondContact OG1-OD2 2.86Å; H182-D235 IonicContact ND1-OD1 2.71Å; V185-D235 HydrophobicContact CG2-CB 4.11Å; A231-D235 WeakPolarHBondContact O-CB 3.47Å; A231-D235 PolarHBondContact O-N 2.87Å; Y232-D235 PolarHBondContact O-N 3.4Å; D235-K237 PolarHBondContact O-N 3.39Å
236	T	74.8	Confident	66.8	Low	37 Å²	37	84.9 Å²	84.9	23%	0.227	40%	0.397	C	S	.	.	S	Bend	trans	-64.7	-7.9	177.3	53.4	0	0	0	0	114	Y232 L233 I238	Y232-T236 HydrophobicContact CD1-CG2 4.35Å; Y232-T236 HydrophobicContact CD2-CG2 3.92Å; Y232-T236 HydrophobicContact CE1-CG2 3.93Å; Y232-T236 HydrophobicContact CE2-CG2 3.47Å; Y232-T236 VanDerWaalsContact CE2-CG2 3.47Å; Y232-T236 HydrophobicContact CG-CG2 4.35Å; Y232-T236 VanDerWaalsContact CZ-CG2 3.48Å; Y232-T236 WeakPolarHBondContact O-CB 3.2Å; Y232-T236 WeakPolarHBondContact O-CG2 3.44Å; Y232-T236 PolarHBondContact O-N 3.49Å; Y232-T236 PolarHBondContact O-OG1 3.05Å; L233-T236 PolarHBondContact O-OG1 3.36Å; T236-I238 PolarHBondContact O-N 3.35Å
237	K	65.1	Low	63.5	Low	115 Å²	115	89.5 Å²	89.5	50%	0.5	42%	0.415	S	S	.	.			trans	51.1	18.4	177.9	-67.5	175.4	-173.8	171.8	0	114.4	D235 F239 F240 K241	D235-K237 PolarHBondContact O-N 3.39Å; K237-F239 PolarHBondContact O-N 2.88Å; K237-F239 VanDerWaalsContact O-N 3.16Å; K237-F240 HydrophobicContact CB-CB 4.47Å; K237-F240 PolarHBondContact O-N 2.73Å; K237-K241 PolarHBondContact O-N 3.13Å
238	I	53.7	Low	60.6	Low	81 Å²	81	97.7 Å²	97.7	42%	0.415	45%	0.447	S	S	.	.	H	α-helix	trans	-54.7	-40.9	-174.5	-71.5	169.3	0	0	0	111.4	T236 K242	T236-I238 PolarHBondContact O-N 3.35Å; I238-K242 PolarHBondContact O-N 2.89Å
239	F	44.6	Very low	57.8	Low	133 Å²	133	106.5 Å²	106.5	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-70.1	-39.3	177.3	-77.4	-85.3	0	0	0	112.9	K237 F243	K237-F239 PolarHBondContact O-N 2.88Å; K237-F239 VanDerWaalsContact O-N 3.16Å; F239-F243 PolarHBondContact O-N 3.1Å; F239-F243 VanDerWaalsContact O-N 3.08Å
240	F	47.2	Very low	54.8	Low	127 Å²	127	104.5 Å²	104.5	56%	0.557	48%	0.477	S	S	*	.	H	α-helix	trans	-73.3	-38.5	178.8	-75.1	-76.7	0	0	0	112.4	K237 K242 F243 L244	K237-F240 HydrophobicContact CB-CB 4.47Å; K237-F240 PolarHBondContact O-N 2.73Å; F240-K242 VanDerWaalsContact C-N 3.35Å; F240-K242 PolarHBondContact O-N 2.81Å; F240-F243 PolarHBondContact O-N 3.28Å; F240-L244 HydrophobicContact CB-CD1 4.39Å; F240-L244 WeakPolarHBondContact O-CB 3.46Å; F240-L244 PolarHBondContact O-N 3.29Å
241	K	44.5	Very low	52.1	Low	130 Å²	130	106.1 Å²	106.1	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-63.6	-38.1	173.7	-78.5	-173.8	177.2	178.8	0	111.3	K237 K245	K237-K241 PolarHBondContact O-N 3.13Å; K241-K245 WeakPolarHBondContact O-CB 3.44Å; K241-K245 VanDerWaalsContact O-CG 3.26Å; K241-K245 WeakPolarHBondContact O-CG 3.42Å; K241-K245 PolarHBondContact O-N 3.08Å
242	K	39.9	Very low	49.8	Very low	154 Å²	154	108.9 Å²	108.9	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-41.7	173.1	-84.8	-177.2	177.5	175.4	0	112.8	I238 F240 K246	I238-K242 PolarHBondContact O-N 2.89Å; F240-K242 VanDerWaalsContact C-N 3.35Å; F240-K242 PolarHBondContact O-N 2.81Å; K242-K246 PolarHBondContact O-N 2.93Å
243	F	34.8	Very low	47.7	Very low	151 Å²	151	110.4 Å²	110.4	66%	0.662	52%	0.522	S	S	*	.	H	α-helix	trans	-74.1	-40.3	177.9	-95.7	-85.9	0	0	0	113.5	F239 F240 K246 K247	F239-F243 PolarHBondContact O-N 3.1Å; F239-F243 VanDerWaalsContact O-N 3.08Å; F240-F243 PolarHBondContact O-N 3.28Å; F243-K246 WeakPolarHBondContact O-CB 3.32Å; F243-K246 PolarHBondContact O-N 3.36Å; F243-K247 PolarHBondContact O-N 2.98Å
244	L	40.1	Very low	45.3	Very low	93 Å²	93	114 Å²	114	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-39.8	173.5	-85.9	151.1	0	0	0	111.1	F240 K246 K247 Y248	F240-L244 HydrophobicContact CB-CD1 4.39Å; F240-L244 WeakPolarHBondContact O-CB 3.46Å; F240-L244 PolarHBondContact O-N 3.29Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.18Å; L244-K247 PolarHBondContact O-N 2.86Å; L244-Y248 HydrophobicContact CD2-CD2 4.4Å; L244-Y248 HydrophobicContact CD2-CE2 4.41Å; L244-Y248 WeakPolarHBondContact O-CB 3.46Å; L244-Y248 PolarHBondContact O-N 3.09Å
245	K	39.1	Very low	43.2	Very low	161 Å²	161	121 Å²	121	70%	0.7	57%	0.567	S	S	*	*	H	α-helix	trans	-58	-42.6	170.6	-83.4	-176.7	176.1	-174	0	111.5	K241 R249	K241-K245 WeakPolarHBondContact O-CB 3.44Å; K241-K245 VanDerWaalsContact O-CG 3.26Å; K241-K245 WeakPolarHBondContact O-CG 3.42Å; K241-K245 PolarHBondContact O-N 3.08Å; K245-R249 WeakPolarHBondContact O-CB 3.34Å; K245-R249 PolarHBondContact O-N 2.71Å
246	K	32	Very low	41.4	Very low	164 Å²	164	123.3 Å²	123.3	71%	0.713	59%	0.591	S	S	*	*	H	α-helix	trans	-64.5	-41	175.8	-109.1	-175.8	178.5	-178.1	0	112.6	K242 F243 L244 A250	K242-K246 PolarHBondContact O-N 2.93Å; F243-K246 WeakPolarHBondContact O-CB 3.32Å; F243-K246 PolarHBondContact O-N 3.36Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.18Å; K246-A250 PolarHBondContact O-N 2.96Å; K246-A250 VanDerWaalsContact O-N 3.08Å
247	K	26.4	Very low	39.9	Very low	156 Å²	156	125.3 Å²	125.3	68%	0.678	61%	0.611	S	S	*	*	H	α-helix	trans	-73.4	-42.2	-179	-144	178.1	-174.6	-176.6	0	112.1	F243 L244 A250 T251	F243-K247 PolarHBondContact O-N 2.98Å; L244-K247 PolarHBondContact O-N 2.86Å; K247-A250 WeakPolarHBondContact O-CB 3.45Å; K247-A250 PolarHBondContact O-N 3.49Å; K247-T251 PolarHBondContact O-N 3.47Å; K247-T251 PolarHBondContact O-OG1 3.48Å
248	Y	31.7	Very low	38.3	Very low	176 Å²	176	125.6 Å²	125.6	69%	0.69	62%	0.619	S	S	*	*	H	α-helix	trans	-62.8	-40.3	173.5	-101.4	-92.7	0	0	0	111.9	L244 A250 T251 A252	L244-Y248 HydrophobicContact CD2-CD2 4.4Å; L244-Y248 HydrophobicContact CD2-CE2 4.41Å; L244-Y248 WeakPolarHBondContact O-CB 3.46Å; L244-Y248 PolarHBondContact O-N 3.09Å; Y248-A250 VanDerWaalsContact C-N 3.32Å; Y248-A250 PolarHBondContact O-N 3.38Å; Y248-T251 PolarHBondContact O-N 2.96Å; Y248-A252 WeakPolarHBondContact O-CB 3.49Å; Y248-A252 PolarHBondContact O-N 3.49Å
249	R	31.3	Very low	37.3	Very low	202 Å²	202	125 Å²	125	76%	0.762	63%	0.633	S	S	*	*	H	α-helix	trans	-60.1	-43	172	-123.3	-178.4	-178.5	-179.9	0.7	111.6	K245 L253	K245-R249 WeakPolarHBondContact O-CB 3.34Å; K245-R249 PolarHBondContact O-N 2.71Å; R249-L253 WeakPolarHBondContact O-CB 3.39Å; R249-L253 PolarHBondContact O-N 3.46Å
250	A	29.1	Very low	36.7	Very low	58 Å²	58	125.9 Å²	125.9	48%	0.479	64%	0.643	S	S	.	*	H	α-helix	trans	-65.6	-45.3	178.2	0	0	0	0	0	112.2	K246 K247 Y248 L253 M254	K246-A250 PolarHBondContact O-N 2.96Å; K246-A250 VanDerWaalsContact O-N 3.08Å; K247-A250 WeakPolarHBondContact O-CB 3.45Å; K247-A250 PolarHBondContact O-N 3.49Å; Y248-A250 VanDerWaalsContact C-N 3.32Å; Y248-A250 PolarHBondContact O-N 3.38Å; A250-L253 PolarHBondContact O-N 3.46Å; A250-M254 WeakPolarHBondContact O-CB 2.77Å; A250-M254 PolarHBondContact O-N 3.43Å
251	T	33.6	Very low	36.2	Very low	76 Å²	76	127.2 Å²	127.2	47%	0.466	66%	0.655	S	S	.	*	H	α-helix	trans	-68.3	-36.7	178.2	-42.5	0	0	0	0	112.1	K247 Y248 M254 K255	K247-T251 PolarHBondContact O-N 3.47Å; K247-T251 PolarHBondContact O-OG1 3.48Å; Y248-T251 PolarHBondContact O-N 2.96Å; T251-M254 PolarHBondContact O-N 2.83Å; T251-K255 WeakPolarHBondContact O-CB 3.48Å; T251-K255 PolarHBondContact O-N 3.41Å
252	A	39	Very low	35.5	Very low	58 Å²	58	130.2 Å²	130.2	48%	0.479	67%	0.671	S	S	.	*	H	α-helix	trans	-67.5	-40.8	175.9	0	0	0	0	0	111.8	Y248 M254 K255 A256	Y248-A252 WeakPolarHBondContact O-CB 3.49Å; Y248-A252 PolarHBondContact O-N 3.49Å; A252-M254 VanDerWaalsContact C-N 3.3Å; A252-M254 PolarHBondContact O-N 2.8Å; A252-K255 PolarHBondContact O-N 2.81Å; A252-A256 VanDerWaalsContact O-CB 3.29Å; A252-A256 WeakPolarHBondContact O-CB 3.21Å; A252-A256 PolarHBondContact O-N 2.88Å
253	L	43.3	Very low	35.1	Very low	131 Å²	131	130 Å²	130	69%	0.686	68%	0.677	S	S	*	*	H	α-helix	trans	-63.8	-37.2	173	-122.4	145.9	0	0	0	111.7	R249 A250 A257	R249-L253 WeakPolarHBondContact O-CB 3.39Å; R249-L253 PolarHBondContact O-N 3.46Å; A250-L253 PolarHBondContact O-N 3.46Å; L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 2.96Å; L253-A257 VanDerWaalsContact O-N 3.09Å
254	M	38.4	Very low	34.9	Very low	143 Å²	143	128.9 Å²	128.9	70%	0.704	68%	0.683	S	S	*	*	H	α-helix	trans	-72.5	-35.9	178	-143.5	176.6	-166.3	0	0	112.5	A250 T251 A252 N258	A250-M254 WeakPolarHBondContact O-CB 2.77Å; A250-M254 PolarHBondContact O-N 3.43Å; T251-M254 PolarHBondContact O-N 2.83Å; A252-M254 VanDerWaalsContact C-N 3.3Å; A252-M254 PolarHBondContact O-N 2.8Å; M254-N258 PolarHBondContact O-N 3.04Å
255	K	38.9	Very low	34.4	Very low	160 Å²	160	131.5 Å²	131.5	70%	0.696	70%	0.697	S	S	*	*	H	α-helix	trans	-71.5	-40.5	173.4	-86	-170.7	171	-169.5	0	112.3	T251 A252 A257 N258	T251-K255 WeakPolarHBondContact O-CB 3.48Å; T251-K255 PolarHBondContact O-N 3.41Å; A252-K255 PolarHBondContact O-N 2.81Å; K255-A257 PolarHBondContact O-N 3.37Å; K255-N258 PolarHBondContact O-N 3.13Å
256	A	42.1	Very low	33.9	Very low	84 Å²	84	132 Å²	132	69%	0.694	70%	0.702	S	S	*	*	H	α-helix	trans	-62.1	-32.2	173.8	0	0	0	0	0	112.1	A252 N258	A252-A256 VanDerWaalsContact O-CB 3.29Å; A252-A256 WeakPolarHBondContact O-CB 3.21Å; A252-A256 PolarHBondContact O-N 2.88Å; A256-N258 VanDerWaalsContact C-N 3.3Å; A256-N258 PolarHBondContact O-N 3.45Å
257	A	42.3	Very low	33.7	Very low	79 Å²	79	131.5 Å²	131.5	65%	0.653	71%	0.712	S	S	*	*	H	α-helix	trans	-71	-22.8	173.7	0	0	0	0	0	113.8	L253 K255	L253-A257 WeakPolarHBondContact O-CB 3.3Å; L253-A257 PolarHBondContact O-N 2.96Å; L253-A257 VanDerWaalsContact O-N 3.09Å; K255-A257 PolarHBondContact O-N 3.37Å
258	N	32.4	Very low	33.7	Very low	121 Å²	121	132.2 Å²	132.2	65%	0.647	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	21.4	-174.5	-82.9	12	0	0	0	114.4	M254 K255 A256 D260	M254-N258 PolarHBondContact O-N 3.04Å; K255-N258 PolarHBondContact O-N 3.13Å; A256-N258 VanDerWaalsContact C-N 3.3Å; A256-N258 PolarHBondContact O-N 3.45Å; N258-D260 PolarHBondContact O-N 3.39Å
259	G	33	Very low	33.4	Very low	69 Å²	69	132.3 Å²	132.3	71%	0.711	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	-2.6	158	0	0	0	0	0	118.6	L261	G259-L261 PolarHBondContact O-N 2.72Å; G259-L261 VanDerWaalsContact O-N 3.11Å
260	D	31.8	Very low	33.1	Very low	151 Å²	151	129 Å²	129	81%	0.807	73%	0.727	S	S	*	*			trans	-87.9	71.1	-177.1	-68	-24.8	0	0	0	112.3	N258	N258-D260 PolarHBondContact O-N 3.39Å
261	L	37.5	Very low	32.8	Very low	154 Å²	154	132 Å²	132	81%	0.806	74%	0.739	S	S	*	*			trans	-148.4	97.9	156.8	-148.6	80.8	0	0	0	110.2	G259 L263	G259-L261 PolarHBondContact O-N 2.72Å; G259-L261 VanDerWaalsContact O-N 3.11Å; L261-L263 PolarHBondContact O-N 3.15Å; L261-L263 VanDerWaalsContact O-N 3.1Å
262	E	29.8	Very low	32.5	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	76%	0.756	S	S	*	*			trans	-66.4	104.5	170.1	-70.1	-176.8	156.8	0	0	109.2	T264	E262-T264 PolarHBondContact O-N 2.88Å
263	L	31.3	Very low	31.9	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	77%	0.769	S	S	*	*			trans	-74.5	103.6	-179.1	-172.1	74.9	0	0	0	109.7	L261	L261-L263 PolarHBondContact O-N 3.15Å; L261-L263 VanDerWaalsContact O-N 3.1Å
264	T	30.1	Very low	31.2	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	77%	0.769	S	S	*	*			trans	-76.6	129.1	165.4	2.9	0	0	0	0	108.7	E262 H266	E262-T264 PolarHBondContact O-N 2.88Å; T264-H266 PolarHBondContact O-N 3.46Å
265	N	28.3	Very low	30.7	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	77%	0.772	S	S	*	*	S	Bend	trans	-65.1	88.1	-175.2	-76.3	-23.3	0	0	0	112.4
266	H	29.6	Very low	30.5	Very low	172 Å²	172	135.4 Å²	135.4	80%	0.796	77%	0.767	S	S	*	*			trans	-128.2	119.7	145.8	-78.3	-74.4	0	0	0	107.2	T264 E268	T264-H266 PolarHBondContact O-N 3.46Å; H266-E268 PolarHBondContact O-N 3.03Å
267	T	26.8	Very low	30.1	Very low	152 Å²	152	134 Å²	134	93%	0.933	76%	0.761	S	S	*	*			trans	-62.2	82.6	173.9	37.6	0	0	0	0	109.5
268	E	27.8	Very low	29.9	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	76%	0.762	S	S	*	*			trans	-87.2	109.1	162.9	-77.7	-172	162.5	0	0	108.3	H266 V270	H266-E268 PolarHBondContact O-N 3.03Å; E268-V270 PolarHBondContact O-N 3.38Å
269	E	24.8	Very low	30.1	Very low	177 Å²	177	133.6 Å²	133.6	83%	0.827	75%	0.746	S	S	*	*			trans	-54.9	111.6	164.5	-79.3	-178.9	140.6	0	0	109.2	T271	E269-T271 PolarHBondContact O-N 3.28Å; E269-T271 PolarHBondContact O-OG1 2.83Å
270	V	25.1	Very low	30.5	Very low	133 Å²	133	135.8 Å²	135.8	81%	0.806	74%	0.741	S	S	*	*			trans	-64.6	85.3	173.2	-179.5	0	0	0	0	108.5	E268 Y272	E268-V270 PolarHBondContact O-N 3.38Å; V270-Y272 PolarHBondContact O-N 3.23Å
271	T	23.5	Very low	31.3	Very low	122 Å²	122	131.1 Å²	131.1	75%	0.748	72%	0.724	S	S	*	*			trans	-83.1	112.3	175.7	-51.2	0	0	0	0	108.4	E269 A273	E269-T271 PolarHBondContact O-N 3.28Å; E269-T271 PolarHBondContact O-OG1 2.83Å; T271-A273 PolarHBondContact O-N 3.2Å
272	Y	25.7	Very low	31.8	Very low	208 Å²	208	126.5 Å²	126.5	82%	0.816	70%	0.698	S	S	*	*			trans	-50.4	119.4	173.5	-76.9	-98.5	0	0	0	110.5	V270 P274	V270-Y272 PolarHBondContact O-N 3.23Å; Y272-P274 WeakPolarHBondContact O-CD 3.4Å
273	A	27.9	Very low	32.6	Very low	91 Å²	91	120 Å²	120	75%	0.752	67%	0.668	S	S	*	*			trans	-75.7	112.5	170	0	0	0	0	0	109.9	T271	T271-A273 PolarHBondContact O-N 3.2Å
274	P	27.1	Very low	33.8	Very low	105 Å²	105	116.2 Å²	116.2	68%	0.682	65%	0.653	S	S	*	*			trans	-73.5	146.6	158.8	0.9	20.9	0	0	0	107.9	Y272 D276	Y272-P274 WeakPolarHBondContact O-CD 3.4Å; P274-D276 PolarHBondContact O-N 3.08Å
275	T	29.6	Very low	35.1	Very low	127 Å²	127	114.8 Å²	114.8	78%	0.779	64%	0.638	S	S	*	*	S	Bend	trans	-6.5	109	152.3	-2.6	0	0	0	0	112.3
276	D	33	Very low	36.6	Very low	107 Å²	107	110.3 Å²	110.3	57%	0.572	61%	0.612	S	S	*	*				-160.9	123.7	83.9	-69.4	-38.3	0	0	0	110.6	P274 E278 S279	P274-D276 PolarHBondContact O-N 3.08Å; D276-E278 VanDerWaalsContact C-N 3.31Å; D276-S279 PolarHBondContact O-OG 2.92Å
277	G	35	Very low	38	Very low	56 Å²	56	105.7 Å²	105.7	58%	0.577	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	2.9	177.1	0	0	0	0	0	113.8
278	E	37.4	Very low	39.8	Very low	145 Å²	145	103.7 Å²	103.7	68%	0.678	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-45.2	175.1	-76	173.2	172.1	0	0	109.8	D276 L280 A281 E282	D276-E278 VanDerWaalsContact C-N 3.31Å; E278-L280 VanDerWaalsContact C-N 3.32Å; E278-L280 PolarHBondContact O-N 2.94Å; E278-A281 PolarHBondContact O-N 3.07Å; E278-A281 VanDerWaalsContact O-N 3.08Å; E278-E282 WeakPolarHBondContact O-CG 3.49Å; E278-E282 PolarHBondContact O-N 3.39Å
279	S	37.1	Very low	41.6	Very low	45 Å²	45	99.6 Å²	99.6	32%	0.315	55%	0.549	S	S	.	.	H	α-helix	trans	-58.7	-39.3	179.9	71.4	0	0	0	0	113.5	D276 E283	D276-S279 PolarHBondContact O-OG 2.92Å; S279-E283 WeakPolarHBondContact O-CB 3.47Å; S279-E283 PolarHBondContact O-N 2.88Å
280	L	42.2	Very low	43.6	Very low	116 Å²	116	92.5 Å²	92.5	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-71	-32.7	178.4	-79.1	170	0	0	0	113.4	E278 S284	E278-L280 VanDerWaalsContact C-N 3.32Å; E278-L280 PolarHBondContact O-N 2.94Å; L280-S284 WeakPolarHBondContact O-CB 3.41Å; L280-S284 PolarHBondContact O-N 3.36Å
281	A	47.8	Very low	45.6	Very low	53 Å²	53	89.2 Å²	89.2	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-73.7	-40.8	177.6	0	0	0	0	0	110.4	E278 S284 E285	E278-A281 PolarHBondContact O-N 3.07Å; E278-A281 VanDerWaalsContact O-N 3.08Å; A281-S284 WeakPolarHBondContact O-CB 3.38Å; A281-S284 PolarHBondContact O-N 3.21Å; A281-E285 VanDerWaalsContact O-CG 3.24Å; A281-E285 WeakPolarHBondContact O-CG 3.49Å; A281-E285 PolarHBondContact O-N 3.11Å
282	E	47.2	Very low	47.9	Very low	57 Å²	57	86.6 Å²	86.6	27%	0.266	47%	0.473	S	S	.	.	H	α-helix	trans	-72.7	-40.8	-178.9	-68.4	167.3	-172.4	0	0	112.3	E278 S284 E285 F286	E278-E282 WeakPolarHBondContact O-CG 3.49Å; E278-E282 PolarHBondContact O-N 3.39Å; E282-S284 VanDerWaalsContact C-N 3.27Å; E282-S284 PolarHBondContact O-N 3.14Å; E282-E285 PolarHBondContact O-N 3.44Å; E282-F286 PolarHBondContact O-N 3.5Å; E282-F286 VanDerWaalsContact O-N 3.14Å
283	E	48.1	Very low	50.2	Low	57 Å²	57	77 Å²	77	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-40.4	171.5	-171.2	167.4	-157.8	0	0	110.8	K99 S279 E285 F286 D287	K99-E283 WeakPolarHBondContact CE-OE1 3.23Å; K99-E283 IonicContact NZ-OE1 2.71Å; K99-E283 PolarHBondContact NZ-OE1 3.4Å; S279-E283 WeakPolarHBondContact O-CB 3.47Å; S279-E283 PolarHBondContact O-N 2.88Å; E283-E285 VanDerWaalsContact C-N 3.28Å; E283-E285 PolarHBondContact O-N 2.92Å; E283-F286 PolarHBondContact O-N 3.31Å; E283-D287 PolarHBondContact O-N 3.13Å
284	S	56.1	Low	52.4	Low	69 Å²	69	72.8 Å²	72.8	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-26.6	174.4	178.3	0	0	0	0	113.9	L280 A281 E282 R288	L280-S284 WeakPolarHBondContact O-CB 3.41Å; L280-S284 PolarHBondContact O-N 3.36Å; A281-S284 WeakPolarHBondContact O-CB 3.38Å; A281-S284 PolarHBondContact O-N 3.21Å; E282-S284 VanDerWaalsContact C-N 3.27Å; E282-S284 PolarHBondContact O-N 3.14Å; S284-R288 VanDerWaalsContact O-CB 3.31Å; S284-R288 WeakPolarHBondContact O-CB 3.18Å; S284-R288 PolarHBondContact O-N 2.96Å
285	E	57	Low	54.6	Low	98 Å²	98	73 Å²	73	46%	0.458	39%	0.392	S	S	.	.	H	α-helix	trans	-78.3	-42.6	176.7	-55.9	-144	113	0	0	111.6	A281 E282 E283 R288 H289	A281-E285 VanDerWaalsContact O-CG 3.24Å; A281-E285 WeakPolarHBondContact O-CG 3.49Å; A281-E285 PolarHBondContact O-N 3.11Å; E282-E285 PolarHBondContact O-N 3.44Å; E283-E285 VanDerWaalsContact C-N 3.28Å; E283-E285 PolarHBondContact O-N 2.92Å; E285-R288 WeakPolarHBondContact O-CB 3.47Å; E285-R288 PolarHBondContact O-N 3.21Å; E285-R288 IonicContact OE1-CZ 2.94Å; E285-R288 IonicContact OE1-NH1 2.69Å; E285-R288 PolarHBondContact OE1-NH1 3.34Å; E285-R288 IonicContact OE1-NH2 3.01Å; E285-R288 PolarHBondContact OE1-NH2 3.4Å; E285-H289 PolarHBondContact O-CD2 3.06Å; E285-H289 PolarHBondContact O-N 3.34Å
286	F	58.8	Low	56.9	Low	55 Å²	55	66.9 Å²	66.9	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-47.8	174.2	-178.5	-99.1	0	0	0	110.9	E282 E283 R288 H289 R290 V672	E282-F286 PolarHBondContact O-N 3.5Å; E282-F286 VanDerWaalsContact O-N 3.14Å; E283-F286 PolarHBondContact O-N 3.31Å; F286-R288 VanDerWaalsContact C-N 3.31Å; F286-R288 PolarHBondContact O-N 2.89Å; F286-H289 PolarHBondContact O-N 3.23Å; F286-R290 HydrophobicContact CD1-CG 4.37Å; F286-R290 HydrophobicContact CE1-CG 4.16Å; F286-R290 WeakPolarHBondContact O-CG 3.23Å; F286-R290 PolarHBondContact O-N 3.4Å; F286-V672 HydrophobicContact CD2-CG1 3.79Å; F286-V672 HydrophobicContact CE2-CG1 3.33Å; F286-V672 HydrophobicContact CZ-CG1 3.93Å
287	D	60.8	Low	59	Low	75 Å²	75	62 Å²	62	40%	0.401	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-39.3	177.4	-71.9	-18.9	0	0	0	112	E283 R290 M291	E283-D287 PolarHBondContact O-N 3.13Å; D287-R290 WeakPolarHBondContact O-CB 3.08Å; D287-R290 PolarHBondContact O-N 3.14Å; D287-M291 WeakPolarHBondContact O-CG 3.22Å; D287-M291 PolarHBondContact O-N 2.95Å; D287-M291 VanDerWaalsContact O-N 3.09Å
288	R	63.4	Low	60.8	Low	109 Å²	109	62.1 Å²	62.1	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-46.2	174.4	-177.6	-177.8	67.6	-132.9	0.9	111.9	S284 E285 F286 R290 M291 D292	S284-R288 VanDerWaalsContact O-CB 3.31Å; S284-R288 WeakPolarHBondContact O-CB 3.18Å; S284-R288 PolarHBondContact O-N 2.96Å; E285-R288 WeakPolarHBondContact O-CB 3.47Å; E285-R288 PolarHBondContact O-N 3.21Å; E285-R288 IonicContact OE1-CZ 2.94Å; E285-R288 IonicContact OE1-NH1 2.69Å; E285-R288 PolarHBondContact OE1-NH1 3.34Å; E285-R288 IonicContact OE1-NH2 3.01Å; E285-R288 PolarHBondContact OE1-NH2 3.4Å; F286-R288 VanDerWaalsContact C-N 3.31Å; F286-R288 PolarHBondContact O-N 2.89Å; R288-R290 VanDerWaalsContact C-N 3.28Å; R288-R290 PolarHBondContact O-N 3.4Å; R288-M291 WeakPolarHBondContact O-CB 3.49Å; R288-M291 PolarHBondContact O-N 3.44Å; R288-M291 VanDerWaalsContact O-N 3.09Å; R288-D292 PolarHBondContact O-N 2.78Å
289	H	65.4	Low	62.7	Low	87 Å²	87	58.5 Å²	58.5	40%	0.403	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-39.1	178.5	-77.2	-143	0	0	0	111.3	E285 F286 M291 D292 Y293	E285-H289 PolarHBondContact O-CD2 3.06Å; E285-H289 PolarHBondContact O-N 3.34Å; F286-H289 PolarHBondContact O-N 3.23Å; H289-M291 VanDerWaalsContact C-N 3.33Å; H289-M291 PolarHBondContact O-N 3.29Å; H289-D292 PolarHBondContact O-N 3.18Å; H289-Y293 VanDerWaalsContact O-CD2 3.24Å; H289-Y293 WeakPolarHBondContact O-CD2 3.35Å; H289-Y293 PolarHBondContact O-N 2.94Å; H289-Y293 VanDerWaalsContact O-N 3.16Å
290	R	67.6	Low	64.6	Low	27 Å²	27	57 Å²	57	10%	0.102	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-46.1	172.7	-64	173.4	70.2	77.6	9.1	111.5	F286 D287 R288 D292 Y293 V294 V668 D669 V672	F286-R290 HydrophobicContact CD1-CG 4.37Å; F286-R290 HydrophobicContact CE1-CG 4.16Å; F286-R290 WeakPolarHBondContact O-CG 3.23Å; F286-R290 PolarHBondContact O-N 3.4Å; D287-R290 WeakPolarHBondContact O-CB 3.08Å; D287-R290 PolarHBondContact O-N 3.14Å; R288-R290 VanDerWaalsContact C-N 3.28Å; R288-R290 PolarHBondContact O-N 3.4Å; R290-D292 VanDerWaalsContact C-N 3.3Å; R290-D292 PolarHBondContact O-N 2.9Å; R290-Y293 PolarHBondContact O-N 3.29Å; R290-V294 VanDerWaalsContact O-CG2 3.27Å; R290-V294 WeakPolarHBondContact O-CG2 3.36Å; R290-V294 PolarHBondContact O-N 2.83Å; R290-V668 HydrophobicContact CB-CG1 4.34Å; R290-D669 IonicContact CZ-OD1 2.77Å; R290-D669 IonicContact NH1-OD1 3.83Å; R290-D669 PolarHBondContact NH1-OD1 2.88Å; R290-D669 IonicContact NH2-OD1 3.42Å; R290-D669 PolarHBondContact NH2-OD1 3.03Å; R290-V672 HydrophobicContact CB-CG2 4.36Å; R290-V672 HydrophobicContact CG-CG1 4.38Å; R290-V672 HydrophobicContact CG-CG2 3.84Å
291	M	66.8	Low	66.1	Low	65 Å²	65	55.5 Å²	55.5	32%	0.32	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-41.1	178.1	-61.6	-53.4	94.4	0	0	111.7	D287 R288 H289 Y293 V294 E295 Y571	D287-M291 WeakPolarHBondContact O-CG 3.22Å; D287-M291 PolarHBondContact O-N 2.95Å; D287-M291 VanDerWaalsContact O-N 3.09Å; R288-M291 WeakPolarHBondContact O-CB 3.49Å; R288-M291 PolarHBondContact O-N 3.44Å; R288-M291 VanDerWaalsContact O-N 3.09Å; H289-M291 VanDerWaalsContact C-N 3.33Å; H289-M291 PolarHBondContact O-N 3.29Å; M291-Y293 VanDerWaalsContact C-N 3.34Å; M291-Y293 PolarHBondContact O-N 3.04Å; M291-V294 WeakPolarHBondContact O-CB 3.46Å; M291-V294 PolarHBondContact O-N 3.47Å; M291-E295 WeakPolarHBondContact O-CB 3.4Å; M291-E295 PolarHBondContact O-N 2.95Å; M291-Y571 HydrophobicContact CE-CD1 4.34Å; M291-Y571 HydrophobicContact CE-CE1 3.24Å; M291-Y571 VanDerWaalsContact CE-CZ 3.48Å; M291-Y571 WeakPolarHBondContact CE-OH 3.45Å; M291-Y571 HydrophobicContact SD-CD1 4.01Å; M291-Y571 HydrophobicContact SD-CE1 3.37Å; M291-Y571 WeakPolarHBondContact SD-CE1 3.5Å
292	D	71.2	Confident	67.3	Low	67 Å²	67	61.9 Å²	61.9	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-41.4	179.7	-62.5	-24	0	0	0	111.5	R288 H289 R290 A296	R288-D292 PolarHBondContact O-N 2.78Å; H289-D292 PolarHBondContact O-N 3.18Å; R290-D292 VanDerWaalsContact C-N 3.3Å; R290-D292 PolarHBondContact O-N 2.9Å; D292-A296 WeakPolarHBondContact O-CB 3.41Å; D292-A296 PolarHBondContact O-N 3.12Å
293	Y	75.8	Confident	68.7	Low	6 Å²	6	65.8 Å²	65.8	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-43.1	173.8	-84.1	-74.9	0	0	0	112.5	H289 R290 M291 A296 I297 Q317 V320 L671 V672 G675	H289-Y293 VanDerWaalsContact O-CD2 3.24Å; H289-Y293 WeakPolarHBondContact O-CD2 3.35Å; H289-Y293 PolarHBondContact O-N 2.94Å; H289-Y293 VanDerWaalsContact O-N 3.16Å; R290-Y293 PolarHBondContact O-N 3.29Å; M291-Y293 VanDerWaalsContact C-N 3.34Å; M291-Y293 PolarHBondContact O-N 3.04Å; Y293-A296 PolarHBondContact O-N 3.13Å; Y293-I297 VanDerWaalsContact O-CG1 3.23Å; Y293-I297 WeakPolarHBondContact O-CG1 3.45Å; Y293-I297 PolarHBondContact O-N 2.95Å; Y293-Q317 HydrophobicContact CE1-CB 4.44Å; Y293-V320 HydrophobicContact CD1-CB 4.23Å; Y293-V320 HydrophobicContact CD1-CG2 3.62Å; Y293-V320 HydrophobicContact CD2-CG1 4.31Å; Y293-V320 HydrophobicContact CD2-CG2 4.32Å; Y293-V320 HydrophobicContact CE1-CB 3.89Å; Y293-V320 HydrophobicContact CE1-CG1 4.18Å; Y293-V320 HydrophobicContact CE1-CG2 3.82Å; Y293-V320 HydrophobicContact CE2-CB 4.46Å; Y293-V320 HydrophobicContact CE2-CG1 3.85Å; Y293-V320 HydrophobicContact CE2-CG2 4.48Å; Y293-V320 HydrophobicContact CG-CG2 3.88Å; Y293-L671 HydrophobicContact CD1-CB 3.79Å; Y293-L671 HydrophobicContact CD1-CD1 3.89Å; Y293-L671 HydrophobicContact CD1-CG 4.41Å; Y293-L671 HydrophobicContact CE1-CB 3.76Å; Y293-L671 HydrophobicContact CE1-CD1 4.31Å; Y293-L671 HydrophobicContact CE1-CG 4.45Å; Y293-L671 HydrophobicContact CG-CB 4.28Å; Y293-V672 HydrophobicContact CD2-CG2 3.54Å; Y293-V672 HydrophobicContact CE2-CG2 4.04Å; Y293-V672 HydrophobicContact CG-CG2 4.34Å; Y293-G675 WeakPolarHBondContact OH-CA 3.28Å
294	V	72.9	Confident	70.1	Confident	3 Å²	3	67 Å²	67	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-48.9	177.5	168.8	0	0	0	0	110.8	R290 M291 A296 I297 K298 Y571 F664 V668	R290-V294 VanDerWaalsContact O-CG2 3.27Å; R290-V294 WeakPolarHBondContact O-CG2 3.36Å; R290-V294 PolarHBondContact O-N 2.83Å; M291-V294 WeakPolarHBondContact O-CB 3.46Å; M291-V294 PolarHBondContact O-N 3.47Å; V294-A296 VanDerWaalsContact C-N 3.33Å; V294-A296 PolarHBondContact O-N 3.44Å; V294-I297 PolarHBondContact O-N 2.84Å; V294-K298 HydrophobicContact CG1-CD 4.38Å; V294-K298 WeakPolarHBondContact O-CG 3.37Å; V294-K298 PolarHBondContact O-N 3.09Å; V294-Y571 HydrophobicContact CB-CD2 4.43Å; V294-Y571 HydrophobicContact CB-CG 4.44Å; V294-Y571 VanDerWaalsContact CG1-CB 3.44Å; V294-Y571 HydrophobicContact CG1-CD1 3.95Å; V294-Y571 HydrophobicContact CG1-CD2 3.63Å; V294-Y571 HydrophobicContact CG1-CE2 4.32Å; V294-Y571 HydrophobicContact CG1-CG 3.42Å; V294-Y571 VanDerWaalsContact CG1-CG 3.42Å; V294-Y571 HydrophobicContact CG2-CD2 3.92Å; V294-Y571 HydrophobicContact CG2-CE2 3.79Å; V294-Y571 HydrophobicContact CG2-CG 4.36Å; V294-F664 HydrophobicContact CG1-CE1 4.43Å; V294-F664 HydrophobicContact CG1-CZ 4.29Å; V294-F664 HydrophobicContact CG2-CE1 4.01Å; V294-F664 HydrophobicContact CG2-CZ 4.32Å; V294-V668 HydrophobicContact CG2-CG1 4.1Å; V294-V668 HydrophobicContact CG2-CG2 3.98Å
295	E	73.4	Confident	70.9	Confident	108 Å²	108	68.6 Å²	68.6	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-43.6	178.3	-174.4	174	-160.9	0	0	111.1	M291 K298 E299	M291-E295 WeakPolarHBondContact O-CB 3.4Å; M291-E295 PolarHBondContact O-N 2.95Å; E295-K298 PolarHBondContact O-N 3.38Å; E295-E299 WeakPolarHBondContact O-CG 3.05Å; E295-E299 PolarHBondContact O-N 3.32Å
296	A	77.5	Confident	71.6	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-48.2	175	0	0	0	0	0	112.3	D292 Y293 V294 K298 E299 I300 E319 V320	D292-A296 WeakPolarHBondContact O-CB 3.41Å; D292-A296 PolarHBondContact O-N 3.12Å; Y293-A296 PolarHBondContact O-N 3.13Å; V294-A296 VanDerWaalsContact C-N 3.33Å; V294-A296 PolarHBondContact O-N 3.44Å; A296-K298 VanDerWaalsContact C-N 3.31Å; A296-K298 PolarHBondContact O-N 3.48Å; A296-E299 PolarHBondContact O-N 3.09Å; A296-I300 WeakPolarHBondContact O-CD1 3.35Å; A296-I300 WeakPolarHBondContact O-CG1 3.22Å; A296-I300 PolarHBondContact O-N 2.88Å; A296-E319 HydrophobicContact CB-CB 4.03Å; A296-E319 HydrophobicContact CB-CG 3.87Å; A296-V320 HydrophobicContact CB-CG2 3.87Å
297	I	78.1	Confident	72.3	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-41.1	179.1	-64.3	163.9	0	0	0	110.8	Y293 V294 I300 R301 L312 A316 F664 V668 L671	Y293-I297 VanDerWaalsContact O-CG1 3.23Å; Y293-I297 WeakPolarHBondContact O-CG1 3.45Å; Y293-I297 PolarHBondContact O-N 2.95Å; V294-I297 PolarHBondContact O-N 2.84Å; I297-I300 PolarHBondContact O-N 2.98Å; I297-R301 HydrophobicContact CG2-CG 4.48Å; I297-R301 WeakPolarHBondContact O-CB 3.43Å; I297-R301 PolarHBondContact O-N 3.2Å; I297-L312 HydrophobicContact CG2-CD1 3.92Å; I297-L312 HydrophobicContact CG2-CD2 3.71Å; I297-L312 HydrophobicContact CG2-CG 3.89Å; I297-A316 HydrophobicContact CD1-CB 4.46Å; I297-A316 HydrophobicContact CG1-CB 3.53Å; I297-F664 HydrophobicContact CB-CE2 3.91Å; I297-F664 HydrophobicContact CB-CZ 4.22Å; I297-F664 HydrophobicContact CD1-CE2 3.93Å; I297-F664 HydrophobicContact CD1-CZ 4.06Å; I297-F664 HydrophobicContact CG2-CD2 4.24Å; I297-F664 HydrophobicContact CG2-CE2 3.4Å; I297-F664 HydrophobicContact CG2-CZ 4.19Å; I297-V668 HydrophobicContact CD1-CG2 3.81Å; I297-L671 HydrophobicContact CD1-CD1 4.19Å
298	K	72.5	Confident	72.9	Confident	60 Å²	60	68.8 Å²	68.8	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-48.1	175.8	-73.3	-178.1	-176	-169.4	0	111.8	V294 E295 A296 I300 R301 K302 N569 Y571	V294-K298 HydrophobicContact CG1-CD 4.38Å; V294-K298 WeakPolarHBondContact O-CG 3.37Å; V294-K298 PolarHBondContact O-N 3.09Å; E295-K298 PolarHBondContact O-N 3.38Å; A296-K298 VanDerWaalsContact C-N 3.31Å; A296-K298 PolarHBondContact O-N 3.48Å; K298-I300 VanDerWaalsContact C-N 3.34Å; K298-I300 PolarHBondContact O-N 3.42Å; K298-R301 PolarHBondContact O-N 2.97Å; K298-K302 WeakPolarHBondContact O-CB 3.26Å; K298-K302 PolarHBondContact O-N 3.41Å; K298-N569 WeakPolarHBondContact CE-O 3.06Å; K298-N569 PolarHBondContact NZ-O 3.02Å; K298-Y571 VanDerWaalsContact CE-N 3.34Å; K298-Y571 PolarHBondContact NZ-O 3.41Å
299	E	77.7	Confident	73.1	Confident	69 Å²	69	65.8 Å²	65.8	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-41.1	178.6	-74.5	-169	150.2	0	0	112	E295 A296 K302 R303 K323	E295-E299 WeakPolarHBondContact O-CG 3.05Å; E295-E299 PolarHBondContact O-N 3.32Å; A296-E299 PolarHBondContact O-N 3.09Å; E299-K302 PolarHBondContact O-N 3.24Å; E299-R303 WeakPolarHBondContact O-CG 3.19Å; E299-R303 PolarHBondContact O-N 2.95Å; E299-R303 VanDerWaalsContact O-N 3.13Å; E299-K323 IonicContact OE2-NZ 2.88Å; E299-K323 PolarHBondContact OE2-NZ 2.79Å
300	I	76.1	Confident	73.3	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.072	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-46.1	179.8	-66.2	159.4	0	0	0	111	A296 I297 K298 K302 R303 N304 I307 L312 L315 A316 E319	A296-I300 WeakPolarHBondContact O-CD1 3.35Å; A296-I300 WeakPolarHBondContact O-CG1 3.22Å; A296-I300 PolarHBondContact O-N 2.88Å; I297-I300 PolarHBondContact O-N 2.98Å; K298-I300 VanDerWaalsContact C-N 3.34Å; K298-I300 PolarHBondContact O-N 3.42Å; I300-K302 VanDerWaalsContact C-N 3.28Å; I300-K302 PolarHBondContact O-N 3.03Å; I300-R303 PolarHBondContact O-N 3.06Å; I300-N304 PolarHBondContact O-N 3.32Å; I300-I307 HydrophobicContact CG2-CD1 3.97Å; I300-L312 HydrophobicContact CB-CD1 3.9Å; I300-L312 HydrophobicContact CG2-CD1 3.5Å; I300-L315 VanDerWaalsContact CD1-C 3.4Å; I300-L315 HydrophobicContact CD1-CB 3.67Å; I300-L315 HydrophobicContact CG1-CB 4.33Å; I300-L315 HydrophobicContact CG2-CB 4.13Å; I300-L315 HydrophobicContact CG2-CD1 3.84Å; I300-A316 VanDerWaalsContact CD1-CA 3.43Å; I300-A316 HydrophobicContact CD1-CB 4Å; I300-A316 VanDerWaalsContact CD1-N 3.29Å; I300-E319 HydrophobicContact CD1-CB 4.34Å
301	R	73.2	Confident	73.7	Confident	83 Å²	83	71.6 Å²	71.6	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-37.4	175.2	-81.5	-170.9	173.5	-179.4	-1.2	112.1	I297 K298 R303 N304 P305 L312	I297-R301 HydrophobicContact CG2-CG 4.48Å; I297-R301 WeakPolarHBondContact O-CB 3.43Å; I297-R301 PolarHBondContact O-N 3.2Å; K298-R301 PolarHBondContact O-N 2.97Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.27Å; R301-N304 CarbonylContact O-C 3.52Å; R301-N304 PolarHBondContact O-N 3.39Å; R301-P305 WeakPolarHBondContact O-CA 3.37Å; R301-L312 HydrophobicContact CG-CD1 4.06Å; R301-L312 HydrophobicContact CG-CD2 3.94Å
302	K	73.6	Confident	74.1	Confident	188 Å²	188	68.7 Å²	68.7	82%	0.817	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-37.3	176.2	-174.7	178.1	-179.9	178.2	0	112.2	K298 E299 I300	K298-K302 WeakPolarHBondContact O-CB 3.26Å; K298-K302 PolarHBondContact O-N 3.41Å; E299-K302 PolarHBondContact O-N 3.24Å; I300-K302 VanDerWaalsContact C-N 3.28Å; I300-K302 PolarHBondContact O-N 3.03Å
303	R	77.3	Confident	74.2	Confident	138 Å²	138	66.1 Å²	66.1	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-75.7	-40.1	174.6	-66.5	-177.8	-166.4	-174.3	11.6	111.7	E299 I300 R301 D705	E299-R303 WeakPolarHBondContact O-CG 3.19Å; E299-R303 PolarHBondContact O-N 2.95Å; E299-R303 VanDerWaalsContact O-N 3.13Å; I300-R303 PolarHBondContact O-N 3.06Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.27Å; R303-D705 IonicContact CZ-OD2 2.61Å; R303-D705 IonicContact NH1-OD2 3.72Å; R303-D705 PolarHBondContact NH1-OD2 3.42Å
304	N	77.6	Confident	74	Confident	82 Å²	82	67.7 Å²	67.7	44%	0.439	33%	0.331	S	S	.	.			trans	-129.5	86.7	-173.8	-65.5	-53.6	0	0	0	111.3	I300 R301 N306 I307	I300-N304 PolarHBondContact O-N 3.32Å; R301-N304 CarbonylContact O-C 3.52Å; R301-N304 PolarHBondContact O-N 3.39Å; N304-N306 VanDerWaalsContact C-N 3.29Å; N304-N306 PolarHBondContact O-N 2.96Å; N304-I307 HydrophobicContact CB-CB 4.16Å; N304-I307 VanDerWaalsContact O-CG2 3.27Å; N304-I307 WeakPolarHBondContact O-CG2 3.43Å
305	P	72.5	Confident	74.1	Confident	104 Å²	104	69.6 Å²	69.6	68%	0.675	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.1	-175.1	22.9	-32.7	0	0	0	114.3	R301	R301-P305 WeakPolarHBondContact O-CA 3.37Å
306	N	71.2	Confident	74.4	Confident	161 Å²	161	64.4 Å²	64.4	86%	0.861	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	22.8	-175.4	-63.4	-20.9	0	0	0	113.5	N304	N304-N306 VanDerWaalsContact C-N 3.29Å; N304-N306 PolarHBondContact O-N 2.96Å
307	I	74.4	Confident	74.1	Confident	28 Å²	28	65.1 Å²	65.1	14%	0.144	32%	0.32	C	S	.	.			trans	-74.5	137.3	-176.6	-167.7	165.9	0	0	0	111.8	I300 N304 E311 L312 L315	I300-I307 HydrophobicContact CG2-CD1 3.97Å; N304-I307 HydrophobicContact CB-CB 4.16Å; N304-I307 VanDerWaalsContact O-CG2 3.27Å; N304-I307 WeakPolarHBondContact O-CG2 3.43Å; I307-E311 HydrophobicContact CD1-CB 4.23Å; I307-E311 HydrophobicContact CD1-CG 4Å; I307-E311 HydrophobicContact CG1-CB 3.93Å; I307-E311 HydrophobicContact CG1-CG 4.1Å; I307-L312 HydrophobicContact CD1-CB 4.5Å; I307-L312 HydrophobicContact CG1-CB 4.44Å; I307-L312 HydrophobicContact CG2-CB 4.1Å; I307-L312 HydrophobicContact CG2-CD1 3.91Å; I307-L312 HydrophobicContact CG2-CD2 4.39Å; I307-L312 HydrophobicContact CG2-CG 4.37Å; I307-L315 HydrophobicContact CD1-CD1 3.4Å; I307-L315 HydrophobicContact CD1-CG 4.37Å
308	G	72.1	Confident	73.8	Confident	42 Å²	42	65.7 Å²	65.7	43%	0.433	32%	0.322	S	S	.	.			trans	-69.9	148.8	176.5	0	0	0	0	0	112.1	K310 E311 L312	G308-K310 VanDerWaalsContact C-N 3.31Å; G308-K310 PolarHBondContact O-N 3.49Å; G308-E311 PolarHBondContact O-N 2.97Å; G308-E311 VanDerWaalsContact O-N 3.1Å; G308-L312 WeakPolarHBondContact O-CB 3.31Å; G308-L312 PolarHBondContact O-N 3.2Å
309	M	69.2	Low	73.9	Confident	47 Å²	47	65 Å²	65	23%	0.232	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-40.4	-174.8	-164.7	63.5	178.4	0	0	113.7	L312 E313 E663 T667	M309-L312 WeakPolarHBondContact O-CB 3.23Å; M309-L312 PolarHBondContact O-N 2.86Å; M309-L312 HydrophobicContact SD-CD2 4.26Å; M309-E313 VanDerWaalsContact O-CG 3.3Å; M309-E313 WeakPolarHBondContact O-CG 3.36Å; M309-E313 PolarHBondContact O-N 2.79Å; M309-E663 HydrophobicContact CE-CG 4.32Å; M309-T667 VanDerWaalsContact CE-CB 3.49Å; M309-T667 HydrophobicContact CE-CG2 3.65Å; M309-T667 WeakPolarHBondContact CE-OG1 3.42Å
310	K	69.1	Low	73.7	Confident	143 Å²	143	62.7 Å²	62.7	62%	0.622	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-45	176.4	-69.4	-169.3	173.9	-164.6	0	112.6	G308 L312 E313 E314	G308-K310 VanDerWaalsContact C-N 3.31Å; G308-K310 PolarHBondContact O-N 3.49Å; K310-L312 VanDerWaalsContact C-N 3.3Å; K310-L312 PolarHBondContact O-N 2.86Å; K310-E313 PolarHBondContact O-N 3.16Å; K310-E314 WeakPolarHBondContact O-CG 3.13Å; K310-E314 PolarHBondContact O-N 3.37Å
311	E	75.4	Confident	73.4	Confident	93 Å²	93	62.4 Å²	62.4	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-34.2	178.7	-166.9	179.6	-170.5	0	0	111.3	I307 G308 E314 L315	I307-E311 HydrophobicContact CD1-CB 4.23Å; I307-E311 HydrophobicContact CD1-CG 4Å; I307-E311 HydrophobicContact CG1-CB 3.93Å; I307-E311 HydrophobicContact CG1-CG 4.1Å; G308-E311 PolarHBondContact O-N 2.97Å; G308-E311 VanDerWaalsContact O-N 3.1Å; E311-E314 PolarHBondContact O-N 3.07Å; E311-L315 WeakPolarHBondContact O-CG 3.45Å; E311-L315 PolarHBondContact O-N 2.98Å
312	L	76.3	Confident	73.3	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-45.1	174.2	-176.9	56.5	0	0	0	111.9	I297 I300 R301 I307 G308 M309 K310 E314 L315 A316	I297-L312 HydrophobicContact CG2-CD1 3.92Å; I297-L312 HydrophobicContact CG2-CD2 3.71Å; I297-L312 HydrophobicContact CG2-CG 3.89Å; I300-L312 HydrophobicContact CB-CD1 3.9Å; I300-L312 HydrophobicContact CG2-CD1 3.5Å; R301-L312 HydrophobicContact CG-CD1 4.06Å; R301-L312 HydrophobicContact CG-CD2 3.94Å; I307-L312 HydrophobicContact CD1-CB 4.5Å; I307-L312 HydrophobicContact CG1-CB 4.44Å; I307-L312 HydrophobicContact CG2-CB 4.1Å; I307-L312 HydrophobicContact CG2-CD1 3.91Å; I307-L312 HydrophobicContact CG2-CD2 4.39Å; I307-L312 HydrophobicContact CG2-CG 4.37Å; G308-L312 WeakPolarHBondContact O-CB 3.31Å; G308-L312 PolarHBondContact O-N 3.2Å; M309-L312 WeakPolarHBondContact O-CB 3.23Å; M309-L312 PolarHBondContact O-N 2.86Å; M309-L312 HydrophobicContact SD-CD2 4.26Å; K310-L312 VanDerWaalsContact C-N 3.3Å; K310-L312 PolarHBondContact O-N 2.86Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-L315 PolarHBondContact O-N 2.99Å; L312-A316 WeakPolarHBondContact O-CB 3.25Å; L312-A316 PolarHBondContact O-N 3.2Å
313	E	72.2	Confident	73.1	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-41.3	175.3	-74.3	175.4	-172.6	0	0	111.9	M309 K310 A316 Q317 T667 R670 L671	M309-E313 VanDerWaalsContact O-CG 3.3Å; M309-E313 WeakPolarHBondContact O-CG 3.36Å; M309-E313 PolarHBondContact O-N 2.79Å; K310-E313 PolarHBondContact O-N 3.16Å; E313-A316 PolarHBondContact O-N 3.05Å; E313-Q317 WeakPolarHBondContact O-CB 3.44Å; E313-Q317 PolarHBondContact O-N 2.97Å; E313-T667 HydrophobicContact CG-CG2 3.45Å; E313-T667 VanDerWaalsContact CG-CG2 3.45Å; E313-T667 WeakPolarHBondContact OE1-CB 3.36Å; E313-T667 WeakPolarHBondContact OE1-CG2 3.35Å; E313-T667 PolarHBondContact OE1-OG1 3.36Å; E313-R670 IonicContact OE1-CZ 3.93Å; E313-R670 IonicContact OE1-NH2 2.67Å; E313-R670 PolarHBondContact OE1-NH2 3.44Å; E313-R670 IonicContact OE2-CZ 3.99Å; E313-R670 IonicContact OE2-NE 2.8Å; E313-R670 IonicContact OE2-NH2 3.84Å; E313-R670 PolarHBondContact OE2-NH2 3.15Å; E313-L671 HydrophobicContact CB-CD1 4.48Å; E313-L671 HydrophobicContact CB-CD2 4.12Å; E313-L671 HydrophobicContact CG-CD1 4.21Å; E313-L671 HydrophobicContact CG-CD2 4.43Å; E313-L671 HydrophobicContact CG-CG 4.47Å
314	E	71.5	Confident	72.6	Confident	39 Å²	39	50.2 Å²	50.2	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-49.1	176	-74.8	173.3	-163	0	0	113	K310 E311 L312 M318 M355	K310-E314 WeakPolarHBondContact O-CG 3.13Å; K310-E314 PolarHBondContact O-N 3.37Å; E311-E314 PolarHBondContact O-N 3.07Å; L312-E314 VanDerWaalsContact C-N 3.33Å; E314-M318 WeakPolarHBondContact O-CB 3.4Å; E314-M318 VanDerWaalsContact O-CG 3.27Å; E314-M318 WeakPolarHBondContact O-CG 3.44Å; E314-M318 PolarHBondContact O-N 3.16Å; E314-M355 VanDerWaalsContact CA-CE 3.48Å; E314-M355 HydrophobicContact CB-CE 4.16Å; E314-M355 HydrophobicContact CB-SD 4.31Å; E314-M355 HydrophobicContact CG-CE 3.87Å; E314-M355 HydrophobicContact CG-SD 3.46Å; E314-M355 WeakPolarHBondContact CG-SD 3.39Å
315	L	76.3	Confident	72	Confident	43 Å²	43	52 Å²	52	23%	0.225	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-40	177.3	-69	-177	0	0	0	111.5	I300 I307 E311 L312 Q317 M318 E319	I300-L315 VanDerWaalsContact CD1-C 3.4Å; I300-L315 HydrophobicContact CD1-CB 3.67Å; I300-L315 HydrophobicContact CG1-CB 4.33Å; I300-L315 HydrophobicContact CG2-CB 4.13Å; I300-L315 HydrophobicContact CG2-CD1 3.84Å; I307-L315 HydrophobicContact CD1-CD1 3.4Å; I307-L315 HydrophobicContact CD1-CG 4.37Å; E311-L315 WeakPolarHBondContact O-CG 3.45Å; E311-L315 PolarHBondContact O-N 2.98Å; L312-L315 PolarHBondContact O-N 2.99Å; L315-Q317 PolarHBondContact O-N 3.33Å; L315-M318 WeakPolarHBondContact O-CB 3.25Å; L315-M318 PolarHBondContact O-N 3.4Å; L315-E319 VanDerWaalsContact O-CB 3.31Å; L315-E319 WeakPolarHBondContact O-CB 3.34Å; L315-E319 PolarHBondContact O-N 2.92Å
316	A	77.7	Confident	72.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-42.5	179.3	0	0	0	0	0	111.5	I297 I300 L312 E313 E319 V320 L671	I297-A316 HydrophobicContact CD1-CB 4.46Å; I297-A316 HydrophobicContact CG1-CB 3.53Å; I300-A316 VanDerWaalsContact CD1-CA 3.43Å; I300-A316 HydrophobicContact CD1-CB 4Å; I300-A316 VanDerWaalsContact CD1-N 3.29Å; L312-A316 WeakPolarHBondContact O-CB 3.25Å; L312-A316 PolarHBondContact O-N 3.2Å; E313-A316 PolarHBondContact O-N 3.05Å; A316-E319 PolarHBondContact O-N 3.45Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.11Å; A316-L671 HydrophobicContact CB-CD1 4.29Å
317	Q	72	Confident	72.2	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-42.5	174.8	-172.7	165.2	-7.2	0	0	111.8	Y293 E313 L315 E319 V320 L321 M355 L671	Y293-Q317 HydrophobicContact CE1-CB 4.44Å; E313-Q317 WeakPolarHBondContact O-CB 3.44Å; E313-Q317 PolarHBondContact O-N 2.97Å; L315-Q317 PolarHBondContact O-N 3.33Å; Q317-E319 VanDerWaalsContact C-N 3.32Å; Q317-E319 PolarHBondContact O-N 3.42Å; Q317-V320 PolarHBondContact O-N 3.26Å; Q317-L321 HydrophobicContact CG-CD1 3.87Å; Q317-L321 HydrophobicContact CG-CG 4.23Å; Q317-L321 WeakPolarHBondContact O-CB 3.36Å; Q317-L321 WeakPolarHBondContact O-CD1 3.32Å; Q317-L321 WeakPolarHBondContact O-CG 3.11Å; Q317-L321 PolarHBondContact O-N 2.97Å; Q317-M355 HydrophobicContact CB-CE 3.63Å; Q317-M355 HydrophobicContact CG-CE 4.04Å; Q317-L671 HydrophobicContact CB-CD2 4.34Å
318	M	72	Confident	72.3	Confident	14 Å²	14	42.5 Å²	42.5	7%	0.069	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174	-78.2	-69.3	-51	0	0	112	E314 L315 L321 N322 I346 V351 V702	E314-M318 WeakPolarHBondContact O-CB 3.4Å; E314-M318 VanDerWaalsContact O-CG 3.27Å; E314-M318 WeakPolarHBondContact O-CG 3.44Å; E314-M318 PolarHBondContact O-N 3.16Å; L315-M318 WeakPolarHBondContact O-CB 3.25Å; L315-M318 PolarHBondContact O-N 3.4Å; M318-L321 PolarHBondContact O-N 3.45Å; M318-N322 WeakPolarHBondContact O-CB 3.08Å; M318-N322 VanDerWaalsContact O-CG 3.27Å; M318-N322 PolarHBondContact O-N 2.96Å; M318-N322 PolarHBondContact O-ND2 3.35Å; M318-I346 HydrophobicContact CE-CG2 3.65Å; M318-I346 HydrophobicContact SD-CG2 3.91Å; M318-V351 HydrophobicContact CG-CB 4.46Å; M318-V351 HydrophobicContact CG-CG1 4.25Å; M318-V351 HydrophobicContact SD-CB 3.81Å; M318-V351 HydrophobicContact SD-CG1 4.14Å; M318-V351 HydrophobicContact SD-CG2 3.41Å; M318-V351 WeakPolarHBondContact SD-CG2 3.39Å; M318-V702 HydrophobicContact CE-CG1 4.29Å
319	E	75.1	Confident	72.5	Confident	47 Å²	47	40.5 Å²	40.5	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-49.1	179.8	-170.8	69.9	-174.1	0	0	111.4	A296 I300 L315 A316 Q317 L321 N322 K323	A296-E319 HydrophobicContact CB-CB 4.03Å; A296-E319 HydrophobicContact CB-CG 3.87Å; I300-E319 HydrophobicContact CD1-CB 4.34Å; L315-E319 VanDerWaalsContact O-CB 3.31Å; L315-E319 WeakPolarHBondContact O-CB 3.34Å; L315-E319 PolarHBondContact O-N 2.92Å; A316-E319 PolarHBondContact O-N 3.45Å; Q317-E319 VanDerWaalsContact C-N 3.32Å; Q317-E319 PolarHBondContact O-N 3.42Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.23Å; E319-N322 PolarHBondContact O-N 2.97Å; E319-K323 HydrophobicContact CG-CD 4.08Å; E319-K323 WeakPolarHBondContact O-CB 3.28Å; E319-K323 WeakPolarHBondContact O-CG 3.41Å; E319-K323 PolarHBondContact O-N 3.46Å; E319-K323 WeakPolarHBondContact OE1-CE 3.45Å; E319-K323 IonicContact OE1-NZ 3.9Å; E319-K323 PolarHBondContact OE1-NZ 3.49Å
320	V	73	Confident	73.2	Confident	20 Å²	20	38.6 Å²	38.6	12%	0.121	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-39.3	177.4	174	0	0	0	0	111.4	Y293 A296 A316 Q317 N322 G324	Y293-V320 HydrophobicContact CD1-CB 4.23Å; Y293-V320 HydrophobicContact CD1-CG2 3.62Å; Y293-V320 HydrophobicContact CD2-CG1 4.31Å; Y293-V320 HydrophobicContact CD2-CG2 4.32Å; Y293-V320 HydrophobicContact CE1-CB 3.89Å; Y293-V320 HydrophobicContact CE1-CG1 4.18Å; Y293-V320 HydrophobicContact CE1-CG2 3.82Å; Y293-V320 HydrophobicContact CE2-CB 4.46Å; Y293-V320 HydrophobicContact CE2-CG1 3.85Å; Y293-V320 HydrophobicContact CE2-CG2 4.48Å; Y293-V320 HydrophobicContact CG-CG2 3.88Å; A296-V320 HydrophobicContact CB-CG2 3.87Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.11Å; Q317-V320 PolarHBondContact O-N 3.26Å; V320-N322 VanDerWaalsContact C-N 3.33Å; V320-N322 PolarHBondContact O-N 2.85Å; V320-G324 WeakPolarHBondContact O-CA 3.43Å; V320-G324 PolarHBondContact O-N 2.82Å
321	L	70.2	Confident	73.9	Confident	8 Å²	8	32 Å²	32	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-37.9	174.7	-73.9	173.2	0	0	0	112.2	Q317 M318 E319 V351 L677 V680	Q317-L321 HydrophobicContact CG-CD1 3.87Å; Q317-L321 HydrophobicContact CG-CG 4.23Å; Q317-L321 WeakPolarHBondContact O-CB 3.36Å; Q317-L321 WeakPolarHBondContact O-CD1 3.32Å; Q317-L321 WeakPolarHBondContact O-CG 3.11Å; Q317-L321 PolarHBondContact O-N 2.97Å; M318-L321 PolarHBondContact O-N 3.45Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.23Å; L321-V351 HydrophobicContact CD1-CG2 4.47Å; L321-L677 HydrophobicContact CD2-CB 4.19Å; L321-L677 HydrophobicContact CD2-CD1 4.2Å; L321-L677 HydrophobicContact CD2-CG 4.42Å; L321-L677 WeakPolarHBondContact O-CD1 3.45Å; L321-V680 HydrophobicContact CD1-CG2 3.88Å
322	N	71.5	Confident	74.1	Confident	20 Å²	20	27.8 Å²	27.8	11%	0.107	15%	0.148	C	C	.	.	H	α-helix	trans	-75.9	-38	179.3	-77.8	-21.3	0	0	0	112.8	M318 E319 V320 K326	M318-N322 WeakPolarHBondContact O-CB 3.08Å; M318-N322 VanDerWaalsContact O-CG 3.27Å; M318-N322 PolarHBondContact O-N 2.96Å; M318-N322 PolarHBondContact O-ND2 3.35Å; E319-N322 PolarHBondContact O-N 2.97Å; V320-N322 VanDerWaalsContact C-N 3.33Å; V320-N322 PolarHBondContact O-N 2.85Å; N322-K326 WeakPolarHBondContact O-CE 3.21Å
323	K	69.3	Low	74.4	Confident	111 Å²	111	27.6 Å²	27.6	48%	0.483	15%	0.148	S	C	.	.	H	α-helix	trans	-74.1	-26.5	175.2	-75.2	178.3	172.2	161	0	112.9	E299 E319	E299-K323 IonicContact OE2-NZ 2.88Å; E299-K323 PolarHBondContact OE2-NZ 2.79Å; E319-K323 HydrophobicContact CG-CD 4.08Å; E319-K323 WeakPolarHBondContact O-CB 3.28Å; E319-K323 WeakPolarHBondContact O-CG 3.41Å; E319-K323 PolarHBondContact O-N 3.46Å; E319-K323 WeakPolarHBondContact OE1-CE 3.45Å; E319-K323 IonicContact OE1-NZ 3.9Å; E319-K323 PolarHBondContact OE1-NZ 3.49Å
324	G	65.7	Low	74.9	Confident	22 Å²	22	27.5 Å²	27.5	23%	0.227	15%	0.147	C	C	.	.	S	Bend	trans	-62.6	160.7	-178.5	0	0	0	0	0	113.8	V320 K326	V320-G324 WeakPolarHBondContact O-CA 3.43Å; V320-G324 PolarHBondContact O-N 2.82Å; G324-K326 PolarHBondContact O-N 3.32Å
325	P	64.5	Low	75.5	Confident	118 Å²	118	25.7 Å²	25.7	77%	0.766	14%	0.139	S	C	*	.	P	Polyproline II helix	trans	-62.8	121.5	176.5	26.6	-33.4	0	0	0	110.5
326	K	75.4	Confident	75.7	Confident	49 Å²	49	23.8 Å²	23.8	21%	0.213	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-84.6	138	179.5	-71.4	162.1	177.9	177.2	0	110.3	N322 G324 Y330 Y331	N322-K326 WeakPolarHBondContact O-CE 3.21Å; G324-K326 PolarHBondContact O-N 3.32Å; K326-Y330 HydrophobicContact CB-CD1 3.78Å; K326-Y330 HydrophobicContact CB-CE1 4.31Å; K326-Y330 HydrophobicContact CB-CG 4.27Å; K326-Y330 HydrophobicContact CD-CD1 3.9Å; K326-Y330 HydrophobicContact CD-CE1 3.52Å; K326-Y330 HydrophobicContact CG-CD1 3.84Å; K326-Y330 HydrophobicContact CG-CE1 3.91Å; K326-Y330 HydrophobicContact CG-CG 4.36Å; K326-Y331 HydrophobicContact CB-CD2 4.39Å; K326-Y331 HydrophobicContact CB-CE1 4.17Å; K326-Y331 HydrophobicContact CB-CE2 3.63Å; K326-Y331 HydrophobicContact CD-CE1 3.83Å; K326-Y331 WeakPolarHBondContact CD-OH 3.21Å
327	S	74.3	Confident	76.1	Confident	26 Å²	26	24.2 Å²	24.2	18%	0.182	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-76.3	162.3	178.2	66.2	0	0	0	0	112.3	E86 A329 Y330 Y331	E86-S327 WeakPolarHBondContact OE1-CB 3.45Å; E86-S327 PolarHBondContact OE1-OG 2.85Å; E86-S327 WeakPolarHBondContact OE2-CB 3.32Å; E86-S327 PolarHBondContact OE2-OG 3.29Å; S327-A329 VanDerWaalsContact C-N 3.27Å; S327-A329 PolarHBondContact O-N 2.85Å; S327-Y330 WeakPolarHBondContact O-CB 3.48Å; S327-Y330 PolarHBondContact O-N 2.85Å; S327-Y330 WeakPolarHBondContact OG-CB 3.36Å; S327-Y330 PolarHBondContact OG-N 2.94Å; S327-Y330 VanDerWaalsContact OG-N 3.16Å; S327-Y331 WeakPolarHBondContact O-CD2 3.3Å; S327-Y331 PolarHBondContact O-N 2.89Å
328	R	74.6	Confident	76.5	Confident	20 Å²	20	26.8 Å²	26.8	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-42.1	171.2	178.5	-173.3	177.8	169.6	4	112	N118 S126 Y330 Y331 R332 N809 S813	N118-R328 PolarHBondContact O-NH1 2.94Å; S126-R328 PolarHBondContact OG-NH2 3.48Å; R328-Y330 VanDerWaalsContact C-N 3.3Å; R328-Y330 PolarHBondContact O-N 3.45Å; R328-Y331 PolarHBondContact O-N 3.41Å; R328-R332 PolarHBondContact O-N 3.37Å; R328-R332 VanDerWaalsContact O-N 3.1Å; R328-N809 WeakPolarHBondContact CD-ND2 3.22Å; R328-N809 VanDerWaalsContact CG-ND2 3.34Å; R328-N809 WeakPolarHBondContact CG-ND2 3.42Å; R328-S813 PolarHBondContact NH2-OG 3.21Å
329	A	77.8	Confident	76.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-44.1	179.1	0	0	0	0	0	110.1	M82 E86 M122 S327 Y331 R332 M333	M82-A329 HydrophobicContact CB-CB 4.3Å; E86-A329 HydrophobicContact CB-CB 3.77Å; E86-A329 HydrophobicContact CG-CB 4.24Å; E86-A329 VanDerWaalsContact OE2-CB 3.26Å; E86-A329 WeakPolarHBondContact OE2-CB 3.46Å; M122-A329 HydrophobicContact CE-CB 3.93Å; M122-A329 HydrophobicContact SD-CB 3.9Å; S327-A329 VanDerWaalsContact C-N 3.27Å; S327-A329 PolarHBondContact O-N 2.85Å; A329-Y331 PolarHBondContact O-N 3.42Å; A329-R332 PolarHBondContact O-N 3.47Å; A329-R332 VanDerWaalsContact O-N 3.16Å; A329-M333 HydrophobicContact CB-CE 4Å; A329-M333 VanDerWaalsContact O-CE 3.27Å; A329-M333 WeakPolarHBondContact O-CE 3.46Å; A329-M333 VanDerWaalsContact O-CG 3.28Å; A329-M333 WeakPolarHBondContact O-CG 3.12Å; A329-M333 PolarHBondContact O-N 3.42Å
330	Y	83.5	Confident	77.1	Confident	6 Å²	6	26.9 Å²	26.9	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-50	-54	175.7	175	-87.9	0	0	0	112.1	K326 S327 R328 R332 M333 Q334 V345 I346 L677	K326-Y330 HydrophobicContact CB-CD1 3.78Å; K326-Y330 HydrophobicContact CB-CE1 4.31Å; K326-Y330 HydrophobicContact CB-CG 4.27Å; K326-Y330 HydrophobicContact CD-CD1 3.9Å; K326-Y330 HydrophobicContact CD-CE1 3.52Å; K326-Y330 HydrophobicContact CG-CD1 3.84Å; K326-Y330 HydrophobicContact CG-CE1 3.91Å; K326-Y330 HydrophobicContact CG-CG 4.36Å; S327-Y330 WeakPolarHBondContact O-CB 3.48Å; S327-Y330 PolarHBondContact O-N 2.85Å; S327-Y330 WeakPolarHBondContact OG-CB 3.36Å; S327-Y330 PolarHBondContact OG-N 2.94Å; S327-Y330 VanDerWaalsContact OG-N 3.16Å; R328-Y330 VanDerWaalsContact C-N 3.3Å; R328-Y330 PolarHBondContact O-N 3.45Å; Y330-R332 VanDerWaalsContact C-N 3.32Å; Y330-R332 PolarHBondContact O-N 2.81Å; Y330-M333 PolarHBondContact O-N 3.38Å; Y330-Q334 WeakPolarHBondContact O-CB 3.16Å; Y330-Q334 PolarHBondContact O-N 3.5Å; Y330-V345 HydrophobicContact CD2-CB 4.1Å; Y330-V345 HydrophobicContact CD2-CG1 3.99Å; Y330-V345 HydrophobicContact CE2-CB 3.88Å; Y330-V345 HydrophobicContact CE2-CG1 4.2Å; Y330-V345 HydrophobicContact CE2-CG2 4.49Å; Y330-I346 HydrophobicContact CD2-CD1 4.42Å; Y330-I346 HydrophobicContact CE2-CD1 3.65Å; Y330-I346 HydrophobicContact CE2-CG1 3.96Å; Y330-L677 HydrophobicContact CD2-CD2 4.35Å
331	Y	82.5	Confident	77.3	Confident	6 Å²	6	26 Å²	26	2%	0.024	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-37.1	-178.4	-70.8	-55.2	0	0	0	113.1	K326 S327 R328 A329 A335 V795 A796 D800	K326-Y331 HydrophobicContact CB-CD2 4.39Å; K326-Y331 HydrophobicContact CB-CE1 4.17Å; K326-Y331 HydrophobicContact CB-CE2 3.63Å; K326-Y331 HydrophobicContact CD-CE1 3.83Å; K326-Y331 WeakPolarHBondContact CD-OH 3.21Å; S327-Y331 WeakPolarHBondContact O-CD2 3.3Å; S327-Y331 PolarHBondContact O-N 2.89Å; R328-Y331 PolarHBondContact O-N 3.41Å; A329-Y331 PolarHBondContact O-N 3.42Å; Y331-A335 VanDerWaalsContact O-CB 3.29Å; Y331-A335 WeakPolarHBondContact O-CB 3.48Å; Y331-A335 PolarHBondContact O-N 3.02Å; Y331-V795 HydrophobicContact CD1-CB 4.44Å; Y331-V795 HydrophobicContact CD1-CG1 3.71Å; Y331-V795 HydrophobicContact CE1-CG1 4.28Å; Y331-A796 HydrophobicContact CD2-CB 3.81Å; Y331-A796 HydrophobicContact CE2-CB 4.19Å; Y331-A796 HydrophobicContact CG-CB 3.99Å; Y331-D800 WeakPolarHBondContact CE2-OD2 3.31Å; Y331-D800 VanDerWaalsContact OH-CG 3.3Å; Y331-D800 PolarHBondContact OH-OD1 3.22Å
332	R	81.3	Confident	77.5	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-42.5	176.4	-169.9	159.6	-171.3	-129.1	9.6	112.2	M82 G125 S126 R328 A329 Y330 T336 D789 A792	M82-R332 HydrophobicContact CE-CB 4.34Å; M82-R332 VanDerWaalsContact CE-CD 3.44Å; M82-R332 HydrophobicContact CE-CG 4.44Å; M82-R332 HydrophobicContact CG-CG 4.2Å; M82-R332 PolarHBondContact SD-NH1 2.89Å; G125-R332 PolarHBondContact O-NH1 3.33Å; S126-R332 VanDerWaalsContact CA-CZ 3.43Å; S126-R332 VanDerWaalsContact CA-NH1 3.28Å; S126-R332 PolarHBondContact O-NH2 2.84Å; R328-R332 PolarHBondContact O-N 3.37Å; R328-R332 VanDerWaalsContact O-N 3.1Å; A329-R332 PolarHBondContact O-N 3.47Å; A329-R332 VanDerWaalsContact O-N 3.16Å; Y330-R332 VanDerWaalsContact C-N 3.32Å; Y330-R332 PolarHBondContact O-N 2.81Å; R332-T336 PolarHBondContact O-N 3.32Å; R332-T336 VanDerWaalsContact O-N 3.1Å; R332-T336 PolarHBondContact O-OG1 3.43Å; R332-D789 IonicContact CZ-OD1 3.57Å; R332-D789 VanDerWaalsContact CZ-OD1 3.25Å; R332-D789 IonicContact NE-OD1 3.25Å; R332-D789 PolarHBondContact NE-OD1 2.97Å; R332-D789 IonicContact NH2-OD1 3.97Å; R332-D789 PolarHBondContact NH2-OD1 3.27Å; R332-A792 HydrophobicContact CB-CB 3.83Å; R332-A792 HydrophobicContact CG-CB 4.03Å
333	M	82.6	Confident	77.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-43.8	176.7	-65.6	-179.9	-73.4	0	0	111.4	D79 M82 A83 A329 Y330 A335 T336 R337 V345 V681	D79-M333 WeakPolarHBondContact OD1-CA 3.23Å; D79-M333 WeakPolarHBondContact OD1-CB 3.24Å; D79-M333 WeakPolarHBondContact OD1-CG 3.31Å; M82-M333 HydrophobicContact CB-CG 4.2Å; A83-M333 VanDerWaalsContact CA-SD 3.57Å; A83-M333 HydrophobicContact CB-SD 3.57Å; A83-M333 VanDerWaalsContact CB-SD 3.57Å; A329-M333 HydrophobicContact CB-CE 4Å; A329-M333 VanDerWaalsContact O-CE 3.27Å; A329-M333 WeakPolarHBondContact O-CE 3.46Å; A329-M333 VanDerWaalsContact O-CG 3.28Å; A329-M333 WeakPolarHBondContact O-CG 3.12Å; A329-M333 PolarHBondContact O-N 3.42Å; Y330-M333 PolarHBondContact O-N 3.38Å; M333-A335 VanDerWaalsContact C-N 3.32Å; M333-A335 PolarHBondContact O-N 2.89Å; M333-T336 PolarHBondContact O-N 2.63Å; M333-R337 WeakPolarHBondContact O-CB 3.49Å; M333-R337 VanDerWaalsContact O-CG 3.24Å; M333-R337 WeakPolarHBondContact O-CG 3.37Å; M333-R337 PolarHBondContact O-N 3.24Å; M333-V345 HydrophobicContact CB-CG2 3.78Å; M333-V345 HydrophobicContact CE-CG1 4.26Å; M333-V681 HydrophobicContact CE-CB 4.25Å; M333-V681 HydrophobicContact CE-CG1 3.2Å; M333-V681 HydrophobicContact CE-CG2 4.01Å; M333-V681 HydrophobicContact SD-CG1 3.52Å; M333-V681 VanDerWaalsContact SD-CG1 3.52Å
334	Q	82.7	Confident	77.8	Confident	10 Å²	10	21.5 Å²	21.5	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-44.6	177.5	-171.1	-179.3	15.9	0	0	111.3	Y330 R337 Q338 V345	Y330-Q334 WeakPolarHBondContact O-CB 3.16Å; Y330-Q334 PolarHBondContact O-N 3.5Å; Q334-R337 PolarHBondContact O-N 2.96Å; Q334-Q338 WeakPolarHBondContact O-CB 3.35Å; Q334-Q338 VanDerWaalsContact O-CG 3.31Å; Q334-Q338 WeakPolarHBondContact O-CG 3.42Å; Q334-Q338 PolarHBondContact O-N 3.38Å; Q334-V345 HydrophobicContact CB-CG2 3.87Å
335	A	82.6	Confident	77.8	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-50.8	175.4	0	0	0	0	0	112.2	Y331 M333 R337 Q338 L339 F791 V795	Y331-A335 VanDerWaalsContact O-CB 3.29Å; Y331-A335 WeakPolarHBondContact O-CB 3.48Å; Y331-A335 PolarHBondContact O-N 3.02Å; M333-A335 VanDerWaalsContact C-N 3.32Å; M333-A335 PolarHBondContact O-N 2.89Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.27Å; A335-Q338 PolarHBondContact O-N 3.34Å; A335-L339 VanDerWaalsContact O-CG 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.09Å; A335-L339 PolarHBondContact O-N 3.44Å; A335-F791 HydrophobicContact CB-CB 3.66Å; A335-V795 HydrophobicContact CB-CG2 4.25Å
336	T	81.9	Confident	77.8	Confident	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-38.7	178.8	-58.4	0	0	0	0	112	S75 D79 R332 M333 L339 T340	S75-T336 WeakPolarHBondContact O-CG2 3.48Å; D79-T336 HydrophobicContact CB-CG2 3.85Å; R332-T336 PolarHBondContact O-N 3.32Å; R332-T336 VanDerWaalsContact O-N 3.1Å; R332-T336 PolarHBondContact O-OG1 3.43Å; M333-T336 PolarHBondContact O-N 2.63Å; T336-L339 PolarHBondContact O-N 3.43Å; T336-T340 HydrophobicContact CG2-CG2 4.17Å; T336-T340 WeakPolarHBondContact O-CB 3.29Å; T336-T340 WeakPolarHBondContact O-CG2 3.45Å; T336-T340 PolarHBondContact O-N 3.03Å; T336-T340 PolarHBondContact O-OG1 3.2Å
337	R	85	Confident	77.4	Confident	9 Å²	9	15 Å²	15	3%	0.034	8%	0.076	C	C	.	.	H	α-helix	trans	-68.9	-36.4	178.2	-68	-178.5	178.5	-150	-5.7	112.8	D79 M333 Q334 A335 T340 G341 S342 G343 N344	D79-R337 IonicContact OD2-NE 3.27Å; M333-R337 WeakPolarHBondContact O-CB 3.49Å; M333-R337 VanDerWaalsContact O-CG 3.24Å; M333-R337 WeakPolarHBondContact O-CG 3.37Å; M333-R337 PolarHBondContact O-N 3.24Å; Q334-R337 PolarHBondContact O-N 2.96Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.27Å; R337-T340 PolarHBondContact O-N 3.43Å; R337-T340 PolarHBondContact O-OG1 3.37Å; R337-G341 PolarHBondContact O-N 3.42Å; R337-G341 VanDerWaalsContact O-N 3.07Å; R337-S342 PolarHBondContact O-N 3.26Å; R337-G343 WeakPolarHBondContact CB-O 3.23Å; R337-N344 PolarHBondContact NH1-O 3.42Å
338	Q	80.2	Confident	76.8	Confident	69 Å²	69	18.6 Å²	18.6	32%	0.322	9%	0.089	S	C	.	.	H	α-helix	trans	-64.8	-39.6	172.4	-75.2	177.1	-0.5	0	0	112.1	Q334 A335 T340	Q334-Q338 WeakPolarHBondContact O-CB 3.35Å; Q334-Q338 VanDerWaalsContact O-CG 3.31Å; Q334-Q338 WeakPolarHBondContact O-CG 3.42Å; Q334-Q338 PolarHBondContact O-N 3.38Å; A335-Q338 PolarHBondContact O-N 3.34Å; Q338-T340 VanDerWaalsContact C-N 3.34Å; Q338-T340 PolarHBondContact O-N 2.78Å
339	L	78.6	Confident	76	Confident	57 Å²	57	19.8 Å²	19.8	30%	0.298	10%	0.103	S	C	.	.	H	α-helix	trans	-70	-31.3	177.7	-67.5	168.2	0	0	0	113.2	A335 T336 M718 F791	A335-L339 VanDerWaalsContact O-CG 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.09Å; A335-L339 PolarHBondContact O-N 3.44Å; T336-L339 PolarHBondContact O-N 3.43Å; L339-M718 VanDerWaalsContact O-CB 3.28Å; L339-M718 WeakPolarHBondContact O-CB 3.37Å; L339-M718 WeakPolarHBondContact O-CE 3.3Å; L339-M718 WeakPolarHBondContact O-CG 3.26Å; L339-F791 HydrophobicContact CD1-CB 4.15Å; L339-F791 HydrophobicContact CD1-CD1 4.39Å; L339-F791 HydrophobicContact CD1-CD2 3.31Å; L339-F791 HydrophobicContact CD1-CE2 3.67Å; L339-F791 HydrophobicContact CD1-CG 3.71Å; L339-F791 HydrophobicContact CD1-CZ 4.36Å; L339-F791 HydrophobicContact CD2-CD1 4.07Å; L339-F791 HydrophobicContact CD2-CD2 4.13Å; L339-F791 HydrophobicContact CD2-CE1 3.8Å; L339-F791 HydrophobicContact CD2-CE2 3.85Å; L339-F791 HydrophobicContact CD2-CG 4.23Å; L339-F791 HydrophobicContact CD2-CZ 3.68Å; L339-F791 HydrophobicContact CG-CD2 4.25Å; L339-F791 HydrophobicContact CG-CE2 4.39Å; L339-F791 HydrophobicContact CG-CG 4.33Å
340	T	82.4	Confident	75.4	Confident	7 Å²	7	20.3 Å²	20.3	4%	0.043	11%	0.105	C	C	.	.	H	α-helix	trans	-97.8	-2.2	-173.9	59.4	0	0	0	0	113.1	I76 T336 R337 Q338 S342 T722 K726	I76-T340 HydrophobicContact CD1-CG2 4.34Å; I76-T340 HydrophobicContact CG1-CG2 3.83Å; T336-T340 HydrophobicContact CG2-CG2 4.17Å; T336-T340 WeakPolarHBondContact O-CB 3.29Å; T336-T340 WeakPolarHBondContact O-CG2 3.45Å; T336-T340 PolarHBondContact O-N 3.03Å; T336-T340 PolarHBondContact O-OG1 3.2Å; R337-T340 PolarHBondContact O-N 3.43Å; R337-T340 PolarHBondContact O-OG1 3.37Å; Q338-T340 VanDerWaalsContact C-N 3.34Å; Q338-T340 PolarHBondContact O-N 2.78Å; T340-S342 PolarHBondContact OG1-OG 3.13Å; T340-T722 HydrophobicContact CG2-CG2 4.16Å; T340-K726 WeakPolarHBondContact O-CE 3.47Å; T340-K726 PolarHBondContact O-NZ 3.31Å
341	G	76.6	Confident	74.4	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	34.1	-175.4	0	0	0	0	0	113.6	R337 S697	R337-G341 PolarHBondContact O-N 3.42Å; R337-G341 VanDerWaalsContact O-N 3.07Å; G341-S697 PolarHBondContact O-N 3.2Å
342	S	75.1	Confident	73.5	Confident	21 Å²	21	24.8 Å²	24.8	15%	0.147	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-97.9	2.7	-178.6	-50.8	0	0	0	0	113.7	R337 T340 K726	R337-S342 PolarHBondContact O-N 3.26Å; T340-S342 PolarHBondContact OG1-OG 3.13Å; S342-K726 WeakPolarHBondContact OG-CE 3.47Å; S342-K726 PolarHBondContact OG-NZ 3.09Å
343	G	73.2	Confident	72.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.			trans	73.6	-155	180	0	0	0	0	0	115.1	R337 S697 A698	R337-G343 WeakPolarHBondContact CB-O 3.23Å; G343-S697 WeakPolarHBondContact CA-O 3.39Å; G343-S697 PolarHBondContact N-O 2.76Å; G343-A698 WeakPolarHBondContact CA-O 3.46Å
344	N	73.2	Confident	71.5	Confident	24 Å²	24	33.7 Å²	33.7	13%	0.128	16%	0.16	C	C	.	.			trans	-84.1	157.6	-175.7	-67.5	-17.9	0	0	0	113.4	R337 I346 G700 V702	R337-N344 PolarHBondContact NH1-O 3.42Å; N344-I346 WeakPolarHBondContact CB-O 3.32Å; N344-G700 PolarHBondContact ND2-O 3.11Å; N344-G700 PolarHBondContact OD1-N 2.72Å; N344-G700 PolarHBondContact OD1-O 2.74Å; N344-V702 WeakPolarHBondContact ND2-CG2 2.97Å
345	V	65.1	Low	70.3	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.165	C	C	.	.	S	Bend	trans	-70.3	-45.2	175.3	-179.8	0	0	0	0	110.8	Y330 M333 Q334 V681	Y330-V345 HydrophobicContact CD2-CB 4.1Å; Y330-V345 HydrophobicContact CD2-CG1 3.99Å; Y330-V345 HydrophobicContact CE2-CB 3.88Å; Y330-V345 HydrophobicContact CE2-CG1 4.2Å; Y330-V345 HydrophobicContact CE2-CG2 4.49Å; M333-V345 HydrophobicContact CB-CG2 3.78Å; M333-V345 HydrophobicContact CE-CG1 4.26Å; Q334-V345 HydrophobicContact CB-CG2 3.87Å; V345-V681 HydrophobicContact CG1-CG2 4Å
346	I	65.8	Low	69	Low	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	-94.8	126.6	175.7	-64.9	166.9	0	0	0	108	M318 Y330 N344 V680	M318-I346 HydrophobicContact CE-CG2 3.65Å; M318-I346 HydrophobicContact SD-CG2 3.91Å; Y330-I346 HydrophobicContact CD2-CD1 4.42Å; Y330-I346 HydrophobicContact CE2-CD1 3.65Å; Y330-I346 HydrophobicContact CE2-CG1 3.96Å; N344-I346 WeakPolarHBondContact CB-O 3.32Å; I346-V680 HydrophobicContact CB-CG1 4.23Å; I346-V680 HydrophobicContact CG1-CG1 3.91Å; I346-V680 HydrophobicContact CG2-CG1 4.03Å
347	K	66.6	Low	67.8	Low	47 Å²	47	45.6 Å²	45.6	20%	0.204	22%	0.222	C	C	.	.			trans	-124.4	135.2	176.6	-64.2	-174.6	178.8	-174.9	0	109.2	A349 K350 V351	K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.64Å; K347-K350 HydrophobicContact CB-CB 4.29Å; K347-K350 WeakPolarHBondContact O-CB 3.17Å; K347-K350 PolarHBondContact O-N 3.33Å; K347-V351 PolarHBondContact O-N 2.98Å
348	K	62.3	Low	66.1	Low	102 Å²	102	47.7 Å²	47.7	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-51	-50.1	178.2	-175.7	176.7	178.7	177	0	111.8	K350 V351 E352	K348-K350 PolarHBondContact O-N 3.47Å; K348-V351 PolarHBondContact O-N 3.47Å; K348-V351 VanDerWaalsContact O-N 3.08Å; K348-E352 PolarHBondContact O-N 3.03Å
349	A	56.9	Low	64.6	Low	45 Å²	45	48 Å²	48	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-15.3	179.2	0	0	0	0	0	115.3	K347 R353	K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.64Å; A349-R353 PolarHBondContact O-NE 3.37Å
350	K	64.9	Low	63	Low	11 Å²	11	52.1 Å²	52.1	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-87.9	-38.9	176.2	-169.5	176	-175.8	179.9	0	111.3	K347 K348 R354 V680 V681 G682 E688	K347-K350 HydrophobicContact CB-CB 4.29Å; K347-K350 WeakPolarHBondContact O-CB 3.17Å; K347-K350 PolarHBondContact O-N 3.33Å; K348-K350 PolarHBondContact O-N 3.47Å; K350-R354 PolarHBondContact O-N 3.12Å; K350-V680 HydrophobicContact CD-CG1 4.5Å; K350-V680 WeakPolarHBondContact CD-O 3.35Å; K350-V680 WeakPolarHBondContact CE-O 3.48Å; K350-V680 PolarHBondContact NZ-O 3.04Å; K350-V681 PolarHBondContact NZ-O 3.31Å; K350-G682 WeakPolarHBondContact CE-O 3.31Å; K350-G682 PolarHBondContact NZ-O 3.1Å; K350-E688 WeakPolarHBondContact CE-OE1 3.45Å; K350-E688 IonicContact NZ-OE1 3.72Å
351	V	64	Low	61.2	Low	6 Å²	6	61.9 Å²	61.9	4%	0.036	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-48.7	174.7	176	0	0	0	0	110.1	M318 L321 K347 K348 R353 R354 M355 V680	M318-V351 HydrophobicContact CG-CB 4.46Å; M318-V351 HydrophobicContact CG-CG1 4.25Å; M318-V351 HydrophobicContact SD-CB 3.81Å; M318-V351 HydrophobicContact SD-CG1 4.14Å; M318-V351 HydrophobicContact SD-CG2 3.41Å; M318-V351 WeakPolarHBondContact SD-CG2 3.39Å; L321-V351 HydrophobicContact CD1-CG2 4.47Å; K347-V351 PolarHBondContact O-N 2.98Å; K348-V351 PolarHBondContact O-N 3.47Å; K348-V351 VanDerWaalsContact O-N 3.08Å; V351-R353 PolarHBondContact O-N 3.13Å; V351-R354 PolarHBondContact O-N 2.93Å; V351-R354 VanDerWaalsContact O-N 3.13Å; V351-M355 HydrophobicContact CG1-CE 3.47Å; V351-M355 VanDerWaalsContact CG1-CE 3.47Å; V351-M355 PolarHBondContact O-N 3.13Å; V351-M355 VanDerWaalsContact O-N 3.1Å; V351-V680 HydrophobicContact CG2-CG1 3.87Å; V351-V680 HydrophobicContact CG2-CG2 3.97Å
352	E	63.3	Low	59.5	Low	99 Å²	99	68.6 Å²	68.6	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-53.1	-51.1	175.4	-178	-172.3	171.2	0	0	112.2	K348 R354 M355 S356	K348-E352 PolarHBondContact O-N 3.03Å; E352-R354 VanDerWaalsContact C-N 3.28Å; E352-R354 PolarHBondContact O-N 3.26Å; E352-M355 PolarHBondContact O-N 3.37Å; E352-S356 PolarHBondContact O-N 2.96Å
353	R	60.8	Low	57.9	Low	137 Å²	137	73.2 Å²	73.2	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-57.3	-39.7	179.1	-106.1	-175.1	-72.7	167.2	-5.7	112.5	A349 V351 S356 F357	A349-R353 PolarHBondContact O-NE 3.37Å; V351-R353 PolarHBondContact O-N 3.13Å; R353-S356 PolarHBondContact O-OG 3.15Å; R353-F357 VanDerWaalsContact O-CD2 3.25Å; R353-F357 WeakPolarHBondContact O-CD2 3.45Å
354	R	60.7	Low	56	Low	53 Å²	53	78.4 Å²	78.4	20%	0.2	39%	0.391	C	S	.	.	H	α-helix	trans	-75.5	-35.2	-179.2	-77.4	-160.3	-177.9	-165.2	3.2	113.1	K350 V351 E352 S356 F357 D358 L679 D736	K350-R354 PolarHBondContact O-N 3.12Å; V351-R354 PolarHBondContact O-N 2.93Å; V351-R354 VanDerWaalsContact O-N 3.13Å; E352-R354 VanDerWaalsContact C-N 3.28Å; E352-R354 PolarHBondContact O-N 3.26Å; R354-S356 PolarHBondContact O-N 2.85Å; R354-F357 PolarHBondContact O-N 3Å; R354-D358 PolarHBondContact O-N 3.35Å; R354-L679 VanDerWaalsContact NH1-CD2 3.33Å; R354-L679 PolarHBondContact NH1-O 3.49Å; R354-L679 PolarHBondContact NH2-O 3.09Å; R354-D736 IonicContact CZ-OD2 3.18Å; R354-D736 IonicContact NH2-OD1 2.66Å; R354-D736 PolarHBondContact NH2-OD1 3.26Å; R354-D736 IonicContact NH2-OD2 2.75Å; R354-D736 PolarHBondContact NH2-OD2 3.29Å
355	M	57.1	Low	54.4	Low	29 Å²	29	86.9 Å²	86.9	14%	0.143	43%	0.43	C	S	.	.	H	α-helix	trans	-57.9	-38.7	173.7	-66.3	-160.5	-162.6	0	0	112	E314 Q317 V351 E352 F357 D358 D359	E314-M355 VanDerWaalsContact CA-CE 3.48Å; E314-M355 HydrophobicContact CB-CE 4.16Å; E314-M355 HydrophobicContact CB-SD 4.31Å; E314-M355 HydrophobicContact CG-CE 3.87Å; E314-M355 HydrophobicContact CG-SD 3.46Å; E314-M355 WeakPolarHBondContact CG-SD 3.39Å; Q317-M355 HydrophobicContact CB-CE 3.63Å; Q317-M355 HydrophobicContact CG-CE 4.04Å; V351-M355 HydrophobicContact CG1-CE 3.47Å; V351-M355 VanDerWaalsContact CG1-CE 3.47Å; V351-M355 PolarHBondContact O-N 3.13Å; V351-M355 VanDerWaalsContact O-N 3.1Å; E352-M355 PolarHBondContact O-N 3.37Å; M355-F357 PolarHBondContact O-N 3.44Å; M355-D358 PolarHBondContact O-N 2.76Å; M355-D359 PolarHBondContact O-N 2.76Å
356	S	56.4	Low	53.8	Low	77 Å²	77	92 Å²	92	54%	0.538	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-23.8	176.6	77.9	0	0	0	0	114.5	E352 R353 R354	E352-S356 PolarHBondContact O-N 2.96Å; R353-S356 PolarHBondContact O-OG 3.15Å; R354-S356 PolarHBondContact O-N 2.85Å
357	F	55.3	Low	53.6	Low	159 Å²	159	98.8 Å²	98.8	70%	0.697	49%	0.487	S	S	*	.	H	α-helix	trans	-82	-33.6	178.7	-85.4	-82.9	0	0	0	113.1	R353 R354 M355	R353-F357 VanDerWaalsContact O-CD2 3.25Å; R353-F357 WeakPolarHBondContact O-CD2 3.45Å; R354-F357 PolarHBondContact O-N 3Å; M355-F357 PolarHBondContact O-N 3.44Å
358	D	49.6	Very low	53.9	Low	52 Å²	52	99.6 Å²	99.6	28%	0.278	50%	0.498	S	S	.	.	H	α-helix	trans	-81.4	-24.3	-175.8	-85	-29.7	0	0	0	113.9	R354 M355 N360 R361	R354-D358 PolarHBondContact O-N 3.35Å; M355-D358 PolarHBondContact O-N 2.76Å; D358-N360 PolarHBondContact O-N 2.64Å; D358-N360 VanDerWaalsContact O-N 3.15Å; D358-R361 PolarHBondContact O-N 2.64Å; D358-R361 VanDerWaalsContact O-N 3.1Å
359	D	48.7	Very low	54.3	Low	75 Å²	75	100.5 Å²	100.5	40%	0.401	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-58.9	-27.4	175.9	-154.3	27.2	0	0	0	112.1	M355 R361	M355-D359 PolarHBondContact O-N 2.76Å; D359-R361 VanDerWaalsContact C-N 3.3Å; D359-R361 PolarHBondContact O-N 3Å
360	N	44.7	Very low	55.3	Low	145 Å²	145	102.3 Å²	102.3	78%	0.775	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-74.8	-8.9	178.8	-88.4	2.5	0	0	0	115	D358	D358-N360 PolarHBondContact O-N 2.64Å; D358-N360 VanDerWaalsContact O-N 3.15Å
361	R	45.8	Very low	56.2	Low	211 Å²	211	102.7 Å²	102.7	80%	0.796	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-94.9	-16.9	-172.2	-100.8	178.4	164.9	166	-5.8	116	D358 D359	D358-R361 PolarHBondContact O-N 2.64Å; D358-R361 VanDerWaalsContact O-N 3.1Å; D359-R361 VanDerWaalsContact C-N 3.3Å; D359-R361 PolarHBondContact O-N 3Å
362	L	41.4	Very low	57.3	Low	142 Å²	142	102.4 Å²	102.4	74%	0.743	52%	0.516	S	S	*	.	S	Bend	trans	-109.5	3.7	-164.1	-76.8	163.3	0	0	0	116.9
363	T	40.5	Very low	58.5	Low	119 Å²	119	101 Å²	101	73%	0.73	51%	0.506	S	S	*	.			trans	-100.1	24	-168.9	50.4	0	0	0	0	117.1
364	T	34	Very low	60	Low	109 Å²	109	94.4 Å²	94.4	67%	0.669	48%	0.482	S	S	*	.			trans	-130.7	82.4	-171	-45.5	0	0	0	0	114.7	T366	T364-T366 WeakPolarHBondContact CG2-OG1 3.48Å
365	E	38.8	Very low	61.3	Low	202 Å²	202	93.7 Å²	93.7	94%	0.944	48%	0.48	S	S	*	.			trans	-101	81.9	149.2	-76.5	-167.8	177.7	0	0	108.3
366	T	51.9	Low	62.6	Low	108 Å²	108	92.4 Å²	92.4	66%	0.663	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-101.3	117.7	-177.8	-41.3	0	0	0	0	109.3	T364	T364-T366 WeakPolarHBondContact CG2-OG1 3.48Å
367	Y	63.3	Low	63.7	Low	146 Å²	146	93 Å²	93	57%	0.573	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-51.6	140.4	162.5	-75	-87	0	0	0	109
368	P	72	Confident	64.2	Low	65 Å²	65	88.6 Å²	88.6	42%	0.422	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-53.6	140.3	178.5	-24.8	33	0	0	0	111.3	H370 V371	P368-H370 WeakPolarHBondContact CB-CE1 3.38Å; P368-H370 WeakPolarHBondContact CB-ND1 3.31Å; P368-H370 PolarHBondContact O-N 3.23Å; P368-V371 HydrophobicContact CB-CG2 4.37Å; P368-V371 PolarHBondContact O-N 3.03Å
369	P	71.4	Confident	65.2	Low	120 Å²	120	87.1 Å²	87.1	78%	0.779	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-7.4	-169.4	23.5	-34.2	0	0	0	115.2	G399	P369-G399 WeakPolarHBondContact O-CA 3.43Å
370	H	76.6	Confident	66.2	Low	83 Å²	83	88.1 Å²	88.1	38%	0.384	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.1	-178.8	59.4	-87.8	0	0	0	114.4	P368	P368-H370 WeakPolarHBondContact CB-CE1 3.38Å; P368-H370 WeakPolarHBondContact CB-ND1 3.31Å; P368-H370 PolarHBondContact O-N 3.23Å
371	V	84.3	Confident	67.7	Low	20 Å²	20	82.5 Å²	82.5	12%	0.121	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	-176.9	179.9	0	0	0	0	110.5	P368 R373 G398 G399 V475	P368-V371 HydrophobicContact CB-CG2 4.37Å; P368-V371 PolarHBondContact O-N 3.03Å; V371-R373 HydrophobicContact CG1-CG 4.3Å; V371-G398 CarbonylContact O-C 3.47Å; V371-G399 PolarHBondContact O-N 3.13Å; V371-G399 VanDerWaalsContact O-N 3.11Å; V371-V475 HydrophobicContact CG1-CB 4.43Å; V371-V475 HydrophobicContact CG1-CG2 3.98Å
372	Q	86.8	Confident	69.1	Low	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.9	172.9	-64.5	-170.5	-6.1	0	0	110.1	F374 G398 D400 E473 P474 V475	Q372-F374 HydrophobicContact CB-CE2 3.95Å; Q372-G398 WeakPolarHBondContact CG-O 3.47Å; Q372-D400 PolarHBondContact NE2-O 3.21Å; Q372-E473 PolarHBondContact N-O 2.91Å; Q372-P474 CarbonylContact O-C 3.6Å; Q372-P474 WeakPolarHBondContact O-CA 3.44Å; Q372-V475 PolarHBondContact O-N 3.38Å
373	R	88.5	Confident	70.8	Confident	68 Å²	68	69.8 Å²	69.8	26%	0.257	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	-175.1	-58.9	177.6	-67.8	154.5	-1.7	110.5	V371 R396 V397 V475 V477	V371-R373 HydrophobicContact CG1-CG 4.3Å; R373-R396 CarbonylContact O-C 3.49Å; R373-R396 VanDerWaalsContact O-CA 3.29Å; R373-R396 WeakPolarHBondContact O-CA 3.4Å; R373-V397 WeakPolarHBondContact CB-O 3.22Å; R373-V397 PolarHBondContact N-O 2.86Å; R373-V397 PolarHBondContact O-N 2.95Å; R373-V475 WeakPolarHBondContact CA-O 3.38Å; R373-V477 HydrophobicContact CB-CB 4.5Å; R373-V477 HydrophobicContact CB-CG2 3.69Å; R373-V477 HydrophobicContact CG-CG2 3.71Å
374	F	92.1	Very high	72.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.9	176.9	-66	-99.8	0	0	0	110	Q372 T395 R396 V405 F431 L463 P474 V475 L476 V477	Q372-F374 HydrophobicContact CB-CE2 3.95Å; F374-T395 WeakPolarHBondContact CA-O 3.34Å; F374-R396 HydrophobicContact CD1-CB 4.03Å; F374-R396 HydrophobicContact CD1-CG 4.25Å; F374-R396 HydrophobicContact CE1-CB 3.78Å; F374-R396 VanDerWaalsContact CE1-CD 3.47Å; F374-R396 HydrophobicContact CE1-CG 3.68Å; F374-R396 HydrophobicContact CE2-CG 4.23Å; F374-R396 HydrophobicContact CZ-CB 4.29Å; F374-R396 HydrophobicContact CZ-CG 3.65Å; F374-V405 HydrophobicContact CE1-CB 4.24Å; F374-V405 HydrophobicContact CE1-CG1 4.19Å; F374-V405 HydrophobicContact CE2-CB 4.35Å; F374-V405 HydrophobicContact CE2-CG1 3.95Å; F374-V405 HydrophobicContact CE2-CG2 4.44Å; F374-V405 HydrophobicContact CZ-CB 3.59Å; F374-V405 HydrophobicContact CZ-CG1 3.56Å; F374-V405 HydrophobicContact CZ-CG2 3.93Å; F374-F431 HydrophobicContact CD1-CD2 4.39Å; F374-F431 HydrophobicContact CD1-CE2 4.23Å; F374-F431 AromaticContact CE1-CD2 3.92Å; F374-F431 HydrophobicContact CE1-CD2 3.92Å; F374-F431 HydrophobicContact CE1-CE2 4.21Å; F374-F431 HydrophobicContact CE1-CG 4.09Å; F374-L463 HydrophobicContact CB-CD1 4.4Å; F374-L463 HydrophobicContact CB-CD2 4.1Å; F374-L463 HydrophobicContact CD1-CD2 4.06Å; F374-L463 HydrophobicContact CD2-CD1 4.1Å; F374-L463 HydrophobicContact CD2-CD2 3.52Å; F374-L463 HydrophobicContact CE1-CD2 4.36Å; F374-L463 HydrophobicContact CE2-CD2 3.88Å; F374-L463 HydrophobicContact CG-CD2 3.63Å; F374-L463 HydrophobicContact CZ-CD2 4.28Å; F374-P474 HydrophobicContact CD2-CB 4.33Å; F374-P474 HydrophobicContact CE2-CB 3.86Å; F374-V475 PolarHBondContact N-O 3.46Å; F374-L476 HydrophobicContact CB-CD2 4.23Å; F374-L476 WeakPolarHBondContact O-CA 3.32Å; F374-V477 PolarHBondContact O-N 3.25Å
375	F	87.5	Confident	74.4	Confident	38 Å²	38	61.7 Å²	61.7	17%	0.167	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.3	-176	58.9	-83.4	0	0	0	110.8	N377 T395 V397 V477	F375-N377 HydrophobicContact CD2-CB 4.44Å; F375-N377 HydrophobicContact CE2-CB 4.12Å; F375-T395 HydrophobicContact CZ-CG2 4.1Å; F375-T395 PolarHBondContact N-O 2.83Å; F375-T395 VanDerWaalsContact N-O 3.14Å; F375-T395 PolarHBondContact O-N 3.44Å; F375-V397 HydrophobicContact CE1-CB 4.33Å; F375-V397 HydrophobicContact CE1-CG2 3.84Å; F375-V397 HydrophobicContact CZ-CG2 3.96Å; F375-V477 VanDerWaalsContact CB-O 3.25Å; F375-V477 WeakPolarHBondContact CB-O 3.18Å
376	F	85.3	Confident	76.3	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142	171.2	-73.5	-73.1	0	0	0	111.6	P378 V392 T393 V394 I440 V458 L460 P479 M480 V481 A482	F376-P378 CarbonylContact C-O 3.55Å; F376-P378 WeakPolarHBondContact CB-O 3.33Å; F376-V392 HydrophobicContact CD1-CG1 3.72Å; F376-V392 HydrophobicContact CE1-CG1 3.59Å; F376-T393 WeakPolarHBondContact CA-O 3.31Å; F376-V394 HydrophobicContact CD1-CG2 3.76Å; F376-V394 HydrophobicContact CE1-CG2 3.58Å; F376-V394 HydrophobicContact CZ-CG2 4.43Å; F376-I440 HydrophobicContact CE1-CD1 4.24Å; F376-V458 HydrophobicContact CE1-CG1 4.2Å; F376-V458 WeakPolarHBondContact CE2-O 3.31Å; F376-V458 HydrophobicContact CZ-CB 4.05Å; F376-V458 HydrophobicContact CZ-CG1 3.76Å; F376-V458 WeakPolarHBondContact CZ-O 3.5Å; F376-L460 HydrophobicContact CD2-CD1 4.04Å; F376-L460 HydrophobicContact CD2-CG 4.17Å; F376-L460 HydrophobicContact CE1-CD1 4.41Å; F376-L460 HydrophobicContact CE1-CD2 4.18Å; F376-L460 HydrophobicContact CE1-CG 4.21Å; F376-L460 HydrophobicContact CE2-CB 4.45Å; F376-L460 HydrophobicContact CE2-CD1 3.88Å; F376-L460 HydrophobicContact CE2-CD2 4.26Å; F376-L460 HydrophobicContact CE2-CG 3.5Å; F376-L460 VanDerWaalsContact CE2-CG 3.5Å; F376-L460 HydrophobicContact CG-CD1 4.4Å; F376-L460 HydrophobicContact CZ-CD1 4.06Å; F376-L460 HydrophobicContact CZ-CD2 3.73Å; F376-L460 HydrophobicContact CZ-CG 3.5Å; F376-P479 HydrophobicContact CB-CG 4.17Å; F376-P479 PolarHBondContact N-O 3.33Å; F376-P479 WeakPolarHBondContact O-CG 3.48Å; F376-M480 VanDerWaalsContact CE2-O 3.31Å; F376-M480 WeakPolarHBondContact CE2-O 3.27Å; F376-V481 VanDerWaalsContact CD2-C 3.43Å; F376-A482 HydrophobicContact CB-CB 4.16Å; F376-A482 HydrophobicContact CD1-CB 3.74Å; F376-A482 HydrophobicContact CD2-CB 3.72Å; F376-A482 VanDerWaalsContact CD2-N 3.28Å; F376-A482 HydrophobicContact CE1-CB 3.95Å; F376-A482 HydrophobicContact CE2-CB 3.88Å; F376-A482 VanDerWaalsContact CE2-N 3.27Å; F376-A482 HydrophobicContact CG-CB 3.62Å; F376-A482 HydrophobicContact CZ-CB 4.01Å
377	N	78.4	Confident	77.7	Confident	89 Å²	89	53.6 Å²	53.6	48%	0.476	29%	0.285	S	S	.	.	S	Bend	trans	-141.4	102.8	176.5	-171.6	10.6	0	0	0	111	F375 Y381 T393 T395	F375-N377 HydrophobicContact CD2-CB 4.44Å; F375-N377 HydrophobicContact CE2-CB 4.12Å; N377-Y381 PolarHBondContact O-OH 2.88Å; N377-T393 PolarHBondContact N-O 3.1Å; N377-T393 WeakPolarHBondContact O-CB 3.49Å; N377-T395 VanDerWaalsContact CB-OG1 3.28Å; N377-T395 WeakPolarHBondContact CB-OG1 3.35Å
378	P	66.2	Low	78.7	Confident	67 Å²	67	48.2 Å²	48.2	44%	0.435	27%	0.273	S	S	.	.	S	Bend	cis	-73	169.9	-4.4	31.3	-37.7	0	0	0	113.6	F376 H380 Y381	F376-P378 CarbonylContact C-O 3.55Å; F376-P378 WeakPolarHBondContact CB-O 3.33Å; P378-H380 WeakPolarHBondContact CG-O 3.35Å; P378-Y381 WeakPolarHBondContact CD-OH 3.27Å; P378-Y381 HydrophobicContact CG-CD1 4.49Å; P378-Y381 HydrophobicContact CG-CE1 3.99Å; P378-Y381 HydrophobicContact CG-CE2 4.26Å; P378-Y381 WeakPolarHBondContact O-CE2 3.48Å; P378-Y381 PolarHBondContact O-OH 3.25Å
379	G	70.4	Confident	79.6	Confident	21 Å²	21	48.5 Å²	48.5	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-87.2	-1.1	172	0	0	0	0	0	114.9	A482 T483	G379-A482 VanDerWaalsContact O-CA 3.3Å; G379-A482 WeakPolarHBondContact O-CA 3.09Å; G379-T483 PolarHBondContact O-N 3.08Å; G379-T483 VanDerWaalsContact O-N 3.08Å
380	H	70.2	Confident	80.4	Confident	95 Å²	95	43.4 Å²	43.4	44%	0.44	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.6	178.6	-167.9	-79	0	0	0	108.9	P378 T483	P378-H380 WeakPolarHBondContact CG-O 3.35Å; H380-T483 CarbonylContact C-O 3.57Å; H380-T483 WeakPolarHBondContact CA-O 3.03Å
381	Y	76.6	Confident	81	Confident	28 Å²	28	42 Å²	42	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.1	176.9	-67.2	-93.9	0	0	0	108.6	N377 P378 F390 V392 T393 A482 T483 I484 M485	N377-Y381 PolarHBondContact O-OH 2.88Å; P378-Y381 WeakPolarHBondContact CD-OH 3.27Å; P378-Y381 HydrophobicContact CG-CD1 4.49Å; P378-Y381 HydrophobicContact CG-CE1 3.99Å; P378-Y381 HydrophobicContact CG-CE2 4.26Å; P378-Y381 WeakPolarHBondContact O-CE2 3.48Å; P378-Y381 PolarHBondContact O-OH 3.25Å; Y381-F390 HydrophobicContact CD1-CE2 4.41Å; Y381-F390 HydrophobicContact CG-CE2 4.46Å; Y381-V392 HydrophobicContact CD2-CG1 4.4Å; Y381-V392 HydrophobicContact CD2-CG2 4.24Å; Y381-V392 HydrophobicContact CE2-CB 4.3Å; Y381-V392 HydrophobicContact CE2-CG1 3.71Å; Y381-V392 HydrophobicContact CE2-CG2 4.19Å; Y381-V392 HydrophobicContact CG-CG2 4.47Å; Y381-T393 PolarHBondContact OH-N 3.29Å; Y381-A482 HydrophobicContact CD2-CB 4.21Å; Y381-A482 HydrophobicContact CE2-CB 4.09Å; Y381-T483 PolarHBondContact N-O 3.23Å; Y381-I484 CarbonylContact O-C 3.55Å; Y381-I484 WeakPolarHBondContact O-CA 3.05Å; Y381-M485 PolarHBondContact O-N 2.76Å
382	T	73.8	Confident	81.3	Confident	70 Å²	70	41 Å²	41	43%	0.429	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.4	173	-54.6	0	0	0	0	106.8	M485 L487	T382-M485 CarbonylContact C-O 3.53Å; T382-M485 WeakPolarHBondContact CA-O 3.43Å; T382-M485 HydrophobicContact CG2-CE 3.57Å; T382-L487 HydrophobicContact CG2-CD1 3.35Å; T382-L487 HydrophobicContact CG2-CD2 4.27Å; T382-L487 HydrophobicContact CG2-CG 3.63Å
383	V	77.8	Confident	81.4	Confident	15 Å²	15	42.2 Å²	42.2	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.9	-177.1	-63.2	0	0	0	0	109.8	V387 F390 I444 I484 M485 V486 L487	V383-V387 HydrophobicContact CB-CB 4.32Å; V383-V387 HydrophobicContact CB-CG1 3.96Å; V383-V387 HydrophobicContact CG2-CG1 4.27Å; V383-F390 HydrophobicContact CG1-CD1 3.96Å; V383-F390 HydrophobicContact CG1-CD2 3.85Å; V383-F390 HydrophobicContact CG1-CE1 4.07Å; V383-F390 HydrophobicContact CG1-CE2 3.94Å; V383-F390 HydrophobicContact CG1-CG 3.87Å; V383-F390 HydrophobicContact CG1-CZ 4.07Å; V383-F390 HydrophobicContact CG2-CE1 4.12Å; V383-F390 HydrophobicContact CG2-CZ 4.4Å; V383-I444 HydrophobicContact CG2-CD1 4.38Å; V383-I444 HydrophobicContact CG2-CG1 4.1Å; V383-I484 HydrophobicContact CG2-CG2 3.89Å; V383-M485 PolarHBondContact N-O 3.46Å; V383-V486 HydrophobicContact CG2-CG2 4.28Å; V383-V486 CarbonylContact O-C 3.54Å; V383-V486 WeakPolarHBondContact O-CA 3.5Å; V383-L487 PolarHBondContact O-N 2.77Å
384	M	74.8	Confident	81.7	Confident	45 Å²	45	39 Å²	39	22%	0.222	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.3	170.1	-58.6	-66.1	-76	0	0	108.9	N386 V387 L487 D489 C521 T557	M384-N386 VanDerWaalsContact CB-OD1 3.3Å; M384-N386 WeakPolarHBondContact CB-OD1 3.35Å; M384-N386 PolarHBondContact O-N 3.24Å; M384-V387 WeakPolarHBondContact O-CB 3.42Å; M384-V387 VanDerWaalsContact O-CG1 3.26Å; M384-V387 WeakPolarHBondContact O-CG1 3.38Å; M384-V387 PolarHBondContact O-N 2.88Å; M384-L487 HydrophobicContact SD-CB 4.17Å; M384-L487 HydrophobicContact SD-CD1 4.44Å; M384-D489 HydrophobicContact CE-CB 3.29Å; M384-C521 WeakPolarHBondContact CE-SG 3.44Å; M384-T557 HydrophobicContact SD-CG2 4.36Å
385	E	75.9	Confident	81.6	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-52.3	-45.6	174.1	-157.8	-171.9	154.2	0	0	111.8	V387 I444 I445 D447 V486 L487	E385-V387 PolarHBondContact O-N 2.86Å; E385-I444 HydrophobicContact CG-CG2 4.48Å; E385-I444 VanDerWaalsContact O-CG2 3.29Å; E385-I444 WeakPolarHBondContact O-CG2 3.32Å; E385-I445 WeakPolarHBondContact CG-O 3.34Å; E385-D447 PolarHBondContact OE1-N 2.91Å; E385-V486 HydrophobicContact CB-CG1 4.36Å; E385-V486 HydrophobicContact CG-CG1 4.42Å; E385-L487 PolarHBondContact N-O 2.96Å
386	N	78.1	Confident	81.7	Confident	84 Å²	84	38.1 Å²	38.1	45%	0.449	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-69.9	4.8	178	72.7	15	0	0	0	116.6	M384 G388 D446 D489	M384-N386 VanDerWaalsContact CB-OD1 3.3Å; M384-N386 WeakPolarHBondContact CB-OD1 3.35Å; M384-N386 PolarHBondContact O-N 3.24Å; N386-G388 PolarHBondContact O-N 3.23Å; N386-D446 WeakPolarHBondContact CA-OD1 3.14Å; N386-D446 WeakPolarHBondContact CB-OD1 3.4Å; N386-D446 PolarHBondContact N-OD1 3.48Å; N386-D489 PolarHBondContact ND2-OD2 3.38Å
387	V	82.6	Confident	81.7	Confident	56 Å²	56	40.6 Å²	40.6	34%	0.339	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-63.8	-24.2	-176.5	76	0	0	0	0	112.6	V383 M384 E385 T389 F390 I444	V383-V387 HydrophobicContact CB-CB 4.32Å; V383-V387 HydrophobicContact CB-CG1 3.96Å; V383-V387 HydrophobicContact CG2-CG1 4.27Å; M384-V387 WeakPolarHBondContact O-CB 3.42Å; M384-V387 VanDerWaalsContact O-CG1 3.26Å; M384-V387 WeakPolarHBondContact O-CG1 3.38Å; M384-V387 PolarHBondContact O-N 2.88Å; E385-V387 PolarHBondContact O-N 2.86Å; V387-T389 PolarHBondContact O-N 3.43Å; V387-F390 HydrophobicContact CG1-CD1 4.04Å; V387-F390 HydrophobicContact CG2-CB 4.24Å; V387-I444 HydrophobicContact CG1-CB 3.95Å; V387-I444 HydrophobicContact CG1-CG1 3.66Å
388	G	84.3	Confident	81.9	Confident	32 Å²	32	37.8 Å²	37.8	33%	0.33	23%	0.233	S	C	.	.			trans	70.6	-79.1	-177.2	0	0	0	0	0	113	N386 S443 I444	N386-G388 PolarHBondContact O-N 3.23Å; G388-S443 CarbonylContact O-C 3.59Å; G388-S443 WeakPolarHBondContact O-CA 3.45Å; G388-I444 PolarHBondContact O-N 2.85Å
389	T	89.1	Confident	82.5	Confident	71 Å²	71	36 Å²	36	44%	0.436	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.6	-179.5	-56	0	0	0	0	111.6	V387 M441 I442 S443	V387-T389 PolarHBondContact O-N 3.43Å; T389-M441 HydrophobicContact CG2-CB 4.28Å; T389-M441 HydrophobicContact CG2-CE 3.94Å; T389-I442 CarbonylContact C-O 3.49Å; T389-I442 WeakPolarHBondContact CA-O 3.31Å; T389-I442 WeakPolarHBondContact CG2-O 3.48Å; T389-S443 WeakPolarHBondContact CG2-OG 3.33Å; T389-S443 PolarHBondContact OG1-OG 3.41Å
390	F	88.1	Confident	83	Confident	14 Å²	14	36.5 Å²	36.5	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157	-175.2	74.4	-80	0	0	0	113.3	Y381 V383 V387 V392 I442 I444 F456 I484	Y381-F390 HydrophobicContact CD1-CE2 4.41Å; Y381-F390 HydrophobicContact CG-CE2 4.46Å; V383-F390 HydrophobicContact CG1-CD1 3.96Å; V383-F390 HydrophobicContact CG1-CD2 3.85Å; V383-F390 HydrophobicContact CG1-CE1 4.07Å; V383-F390 HydrophobicContact CG1-CE2 3.94Å; V383-F390 HydrophobicContact CG1-CG 3.87Å; V383-F390 HydrophobicContact CG1-CZ 4.07Å; V383-F390 HydrophobicContact CG2-CE1 4.12Å; V383-F390 HydrophobicContact CG2-CZ 4.4Å; V387-F390 HydrophobicContact CG1-CD1 4.04Å; V387-F390 HydrophobicContact CG2-CB 4.24Å; F390-V392 HydrophobicContact CD2-CG2 4.31Å; F390-V392 HydrophobicContact CE2-CG2 3.57Å; F390-V392 HydrophobicContact CZ-CG2 4.23Å; F390-I442 WeakPolarHBondContact CD1-O 3.05Å; F390-I442 HydrophobicContact CE1-CB 4.03Å; F390-I442 HydrophobicContact CE1-CG2 4.26Å; F390-I442 HydrophobicContact CZ-CB 4.18Å; F390-I442 PolarHBondContact N-O 3.49Å; F390-I442 PolarHBondContact O-N 2.92Å; F390-I444 HydrophobicContact CD1-CG1 4.16Å; F390-I444 HydrophobicContact CE1-CD1 3.87Å; F390-I444 HydrophobicContact CE1-CG1 3.8Å; F390-F456 HydrophobicContact CZ-CZ 4.45Å; F390-I484 HydrophobicContact CE1-CG2 4.35Å; F390-I484 HydrophobicContact CE2-CG1 4.27Å; F390-I484 HydrophobicContact CE2-CG2 4.36Å; F390-I484 HydrophobicContact CZ-CB 4.44Å; F390-I484 HydrophobicContact CZ-CG1 3.89Å; F390-I484 HydrophobicContact CZ-CG2 3.62Å
391	P	89.8	Confident	83.7	Confident	53 Å²	53	34.6 Å²	34.6	34%	0.344	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.7	-179.5	33.3	-32.1	0	0	0	114.2	Q439 I440 M441	P391-Q439 HydrophobicContact CB-CB 4.11Å; P391-Q439 HydrophobicContact CB-CG 4.16Å; P391-I440 CarbonylContact C-O 3.59Å; P391-I440 WeakPolarHBondContact CA-O 3.27Å; P391-M441 HydrophobicContact CB-SD 3.81Å
392	V	90.8	Very high	83.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.9	167.8	173.2	0	0	0	0	110.1	F376 Y381 F390 Q439 I440 I442 A482 I484	F376-V392 HydrophobicContact CD1-CG1 3.72Å; F376-V392 HydrophobicContact CE1-CG1 3.59Å; Y381-V392 HydrophobicContact CD2-CG1 4.4Å; Y381-V392 HydrophobicContact CD2-CG2 4.24Å; Y381-V392 HydrophobicContact CE2-CB 4.3Å; Y381-V392 HydrophobicContact CE2-CG1 3.71Å; Y381-V392 HydrophobicContact CE2-CG2 4.19Å; Y381-V392 HydrophobicContact CG-CG2 4.47Å; F390-V392 HydrophobicContact CD2-CG2 4.31Å; F390-V392 HydrophobicContact CE2-CG2 3.57Å; F390-V392 HydrophobicContact CZ-CG2 4.23Å; V392-Q439 CarbonylContact O-C 3.59Å; V392-Q439 VanDerWaalsContact O-CA 3.26Å; V392-Q439 WeakPolarHBondContact O-CA 3.39Å; V392-I440 HydrophobicContact CB-CB 4.34Å; V392-I440 PolarHBondContact N-O 3.31Å; V392-I440 PolarHBondContact O-N 3.35Å; V392-I442 HydrophobicContact CB-CD1 4.45Å; V392-I442 HydrophobicContact CG2-CD1 3.74Å; V392-I442 HydrophobicContact CG2-CG1 4.47Å; V392-A482 HydrophobicContact CG1-CB 4.16Å; V392-I484 HydrophobicContact CG2-CG1 4.43Å
393	T	89.8	Confident	84.5	Confident	24 Å²	24	36.4 Å²	36.4	15%	0.147	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.8	-168.7	-57.5	0	0	0	0	113	F376 N377 Y381 H437 K438	F376-T393 WeakPolarHBondContact CA-O 3.31Å; N377-T393 PolarHBondContact N-O 3.1Å; N377-T393 WeakPolarHBondContact O-CB 3.49Å; Y381-T393 PolarHBondContact OH-N 3.29Å; T393-H437 HydrophobicContact CG2-CB 3.96Å; T393-K438 CarbonylContact C-O 3.54Å; T393-K438 WeakPolarHBondContact CA-O 3.5Å
394	V	93.1	Very high	85	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	173.1	-177.6	0	0	0	0	109	F376 L429 F431 H437 K438 I440 L460	F376-V394 HydrophobicContact CD1-CG2 3.76Å; F376-V394 HydrophobicContact CE1-CG2 3.58Å; F376-V394 HydrophobicContact CZ-CG2 4.43Å; V394-L429 HydrophobicContact CB-CD1 4Å; V394-L429 HydrophobicContact CG2-CD1 3.65Å; V394-F431 HydrophobicContact CB-CZ 4.09Å; V394-F431 HydrophobicContact CG1-CE2 4.21Å; V394-F431 HydrophobicContact CG1-CZ 3.86Å; V394-H437 CarbonylContact O-C 3.49Å; V394-H437 WeakPolarHBondContact O-CA 3.2Å; V394-H437 WeakPolarHBondContact O-CB 3.36Å; V394-K438 PolarHBondContact N-O 3.48Å; V394-K438 PolarHBondContact O-N 3.03Å; V394-I440 HydrophobicContact CG2-CD1 4.12Å; V394-L460 HydrophobicContact CB-CD1 4.5Å; V394-L460 HydrophobicContact CG1-CD1 3.64Å; V394-L460 HydrophobicContact CG1-CD2 4.34Å; V394-L460 HydrophobicContact CG2-CD1 4.06Å; V394-L460 HydrophobicContact CG2-CD2 3.77Å; V394-L460 HydrophobicContact CG2-CG 4.46Å
395	T	90.6	Very high	85.8	Confident	19 Å²	19	35 Å²	35	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.2	-175.4	-57.1	0	0	0	0	111.9	F374 F375 N377 V397 T436	F374-T395 WeakPolarHBondContact CA-O 3.34Å; F375-T395 HydrophobicContact CZ-CG2 4.1Å; F375-T395 PolarHBondContact N-O 2.83Å; F375-T395 VanDerWaalsContact N-O 3.14Å; F375-T395 PolarHBondContact O-N 3.44Å; N377-T395 VanDerWaalsContact CB-OG1 3.28Å; N377-T395 WeakPolarHBondContact CB-OG1 3.35Å; T395-V397 HydrophobicContact CG2-CG2 3.86Å; T395-T436 CarbonylContact C-O 3.56Å; T395-T436 WeakPolarHBondContact CA-O 3.26Å
396	R	90.2	Very high	86.6	Confident	1 Å²	1	34.4 Å²	34.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.9	175.2	178.4	175.2	66	169.9	-0.1	111	R373 F374 M401 A403 F431 S432 E435 T436	R373-R396 CarbonylContact O-C 3.49Å; R373-R396 VanDerWaalsContact O-CA 3.29Å; R373-R396 WeakPolarHBondContact O-CA 3.4Å; F374-R396 HydrophobicContact CD1-CB 4.03Å; F374-R396 HydrophobicContact CD1-CG 4.25Å; F374-R396 HydrophobicContact CE1-CB 3.78Å; F374-R396 VanDerWaalsContact CE1-CD 3.47Å; F374-R396 HydrophobicContact CE1-CG 3.68Å; F374-R396 HydrophobicContact CE2-CG 4.23Å; F374-R396 HydrophobicContact CZ-CB 4.29Å; F374-R396 HydrophobicContact CZ-CG 3.65Å; R396-M401 HydrophobicContact CG-SD 3.89Å; R396-M401 PolarHBondContact NE-SD 2.9Å; R396-M401 PolarHBondContact NH2-O 3.36Å; R396-M401 VanDerWaalsContact O-CE 3.28Å; R396-M401 WeakPolarHBondContact O-CE 3.42Å; R396-A403 PolarHBondContact NH1-O 3.28Å; R396-F431 HydrophobicContact CB-CD1 4.22Å; R396-F431 HydrophobicContact CB-CE1 4.19Å; R396-S432 PolarHBondContact NH2-O 3.02Å; R396-E435 PolarHBondContact NE-O 3.12Å; R396-E435 VanDerWaalsContact NH2-N 3.19Å; R396-E435 PolarHBondContact NH2-O 3.4Å; R396-T436 PolarHBondContact N-O 3.49Å
397	V	85.7	Confident	87.4	Confident	54 Å²	54	30.4 Å²	30.4	33%	0.327	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.9	-180	-171.3	0	0	0	0	112.7	R373 F375 T395	R373-V397 WeakPolarHBondContact CB-O 3.22Å; R373-V397 PolarHBondContact N-O 2.86Å; R373-V397 PolarHBondContact O-N 2.95Å; F375-V397 HydrophobicContact CE1-CB 4.33Å; F375-V397 HydrophobicContact CE1-CG2 3.84Å; F375-V397 HydrophobicContact CZ-CG2 3.96Å; T395-V397 HydrophobicContact CG2-CG2 3.86Å
398	G	82.5	Confident	87.9	Confident	31 Å²	31	29.9 Å²	29.9	32%	0.32	18%	0.184	S	C	.	.	S	Bend	trans	85.5	168	177.2	0	0	0	0	0	113.1	V371 Q372	V371-G398 CarbonylContact O-C 3.47Å; Q372-G398 WeakPolarHBondContact CG-O 3.47Å
399	G	79.3	Confident	88.5	Confident	29 Å²	29	30 Å²	30	30%	0.299	18%	0.175	S	C	.	.	S	Bend	trans	63.8	-161.7	-176.1	0	0	0	0	0	114.4	P369 V371 M401	P369-G399 WeakPolarHBondContact O-CA 3.43Å; V371-G399 PolarHBondContact O-N 3.13Å; V371-G399 VanDerWaalsContact O-N 3.11Å; G399-M401 PolarHBondContact O-N 3.3Å
400	D	80.6	Confident	88.7	Confident	32 Å²	32	28.9 Å²	28.9	17%	0.171	16%	0.164	C	C	.	.			trans	-79	96.1	-176.5	179.7	9.7	0	0	0	113.4	Q372 H402 A403 S469 T470 I472	Q372-D400 PolarHBondContact NE2-O 3.21Å; D400-H402 PolarHBondContact O-N 3.41Å; D400-H402 VanDerWaalsContact OD1-CB 3.3Å; D400-H402 WeakPolarHBondContact OD1-CB 3.28Å; D400-H402 IonicContact OD1-CD2 2.84Å; D400-H402 PolarHBondContact OD1-CD2 2.91Å; D400-H402 IonicContact OD1-CG 2.84Å; D400-H402 PolarHBondContact OD1-N 3.46Å; D400-A403 PolarHBondContact O-N 3.21Å; D400-S469 PolarHBondContact OD2-OG 2.71Å; D400-T470 PolarHBondContact OD2-OG1 3.24Å; D400-I472 HydrophobicContact CB-CG2 3.92Å
401	M	83.3	Confident	89	Confident	54 Å²	54	29 Å²	29	27%	0.266	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-6.3	-178.7	-148.6	64.9	104.4	0	0	114.5	R396 G399 G434 T436	R396-M401 HydrophobicContact CG-SD 3.89Å; R396-M401 PolarHBondContact NE-SD 2.9Å; R396-M401 PolarHBondContact NH2-O 3.36Å; R396-M401 VanDerWaalsContact O-CE 3.28Å; R396-M401 WeakPolarHBondContact O-CE 3.42Å; G399-M401 PolarHBondContact O-N 3.3Å; M401-G434 PolarHBondContact O-N 3.48Å; M401-T436 HydrophobicContact CE-CG2 3.87Å
402	H	82.7	Confident	88.9	Confident	137 Å²	137	30.2 Å²	30.2	63%	0.634	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.5	173.1	-62.3	-69.9	0	0	0	114.1	D400 A433	D400-H402 PolarHBondContact O-N 3.41Å; D400-H402 VanDerWaalsContact OD1-CB 3.3Å; D400-H402 WeakPolarHBondContact OD1-CB 3.28Å; D400-H402 IonicContact OD1-CD2 2.84Å; D400-H402 PolarHBondContact OD1-CD2 2.91Å; D400-H402 IonicContact OD1-CG 2.84Å; D400-H402 PolarHBondContact OD1-N 3.46Å; H402-A433 WeakPolarHBondContact O-CB 3.43Å
403	A	84.5	Confident	88.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-69.2	145.6	177	0	0	0	0	0	111.8	R396 D400 V405 H467 I472	R396-A403 PolarHBondContact NH1-O 3.28Å; D400-A403 PolarHBondContact O-N 3.21Å; A403-V405 HydrophobicContact CB-CG2 4.45Å; A403-H467 CarbonylContact C-O 3.52Å; A403-H467 WeakPolarHBondContact CA-O 3.38Å; A403-I472 HydrophobicContact CB-CD1 3.46Å; A403-I472 VanDerWaalsContact CB-CD1 3.46Å
404	V	89.6	Confident	88.1	Confident	30 Å²	30	35.2 Å²	35.2	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.7	173.1	-175.7	0	0	0	0	108.4	L430 F431 K466 H467	V404-L430 HydrophobicContact CG1-CD1 3.58Å; V404-L430 HydrophobicContact CG1-CG 4.13Å; V404-F431 VanDerWaalsContact CA-O 3.29Å; V404-F431 WeakPolarHBondContact CA-O 3.26Å; V404-F431 WeakPolarHBondContact CG1-O 3.34Å; V404-K466 HydrophobicContact CB-CB 4.4Å; V404-K466 HydrophobicContact CG1-CB 4.06Å; V404-K466 PolarHBondContact O-N 2.8Å; V404-H467 HydrophobicContact CB-CB 4.04Å; V404-H467 HydrophobicContact CG2-CB 4.15Å; V404-H467 PolarHBondContact N-O 2.9Å; V404-H467 PolarHBondContact O-N 2.95Å
405	V	91.8	Very high	87.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.3	-177.3	-176.4	0	0	0	0	108.6	F374 A403 F431 L463 E464 V465 I472 P474	F374-V405 HydrophobicContact CE1-CB 4.24Å; F374-V405 HydrophobicContact CE1-CG1 4.19Å; F374-V405 HydrophobicContact CE2-CB 4.35Å; F374-V405 HydrophobicContact CE2-CG1 3.95Å; F374-V405 HydrophobicContact CE2-CG2 4.44Å; F374-V405 HydrophobicContact CZ-CB 3.59Å; F374-V405 HydrophobicContact CZ-CG1 3.56Å; F374-V405 HydrophobicContact CZ-CG2 3.93Å; A403-V405 HydrophobicContact CB-CG2 4.45Å; V405-F431 PolarHBondContact N-O 3.07Å; V405-F431 WeakPolarHBondContact O-CB 3.36Å; V405-F431 PolarHBondContact O-N 3.4Å; V405-L463 HydrophobicContact CG1-CD2 3.73Å; V405-E464 WeakPolarHBondContact CA-O 3.27Å; V405-V465 HydrophobicContact CG2-CG2 4.42Å; V405-I472 HydrophobicContact CG2-CD1 4.07Å; V405-P474 HydrophobicContact CG1-CB 4.32Å
406	S	91.8	Very high	86.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.5	172.6	64.2	0	0	0	0	111.4	L429 L463 E464 K466	S406-L429 CarbonylContact C-O 3.59Å; S406-L429 WeakPolarHBondContact CA-O 3.38Å; S406-L463 WeakPolarHBondContact O-CA 3.43Å; S406-E464 PolarHBondContact N-O 3.35Å; S406-E464 PolarHBondContact O-N 3.4Å; S406-E464 PolarHBondContact OG-O 2.89Å; S406-K466 WeakPolarHBondContact OG-CE 3.33Å
407	V	94.7	Very high	86.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133	174.1	61.8	0	0	0	0	109.3	L429 F431 L460 L463 L476	V407-L429 HydrophobicContact CG1-CB 3.81Å; V407-L429 HydrophobicContact CG1-CD1 4.27Å; V407-L429 PolarHBondContact N-O 3.29Å; V407-L429 PolarHBondContact O-N 2.7Å; V407-F431 HydrophobicContact CG1-CD2 4.43Å; V407-F431 HydrophobicContact CG1-CE2 3.9Å; V407-L460 HydrophobicContact CG1-CD2 4.34Å; V407-L460 HydrophobicContact CG2-CB 3.87Å; V407-L460 HydrophobicContact CG2-CD2 3.97Å; V407-L460 HydrophobicContact CG2-CG 4.35Å; V407-L463 HydrophobicContact CB-CD2 4.01Å; V407-L463 HydrophobicContact CG2-CD2 4.25Å; V407-L463 HydrophobicContact CG2-CG 4.41Å; V407-L476 HydrophobicContact CG2-CD2 4.46Å
408	E	94.2	Very high	86.7	Confident	46 Å²	46	39.5 Å²	39.5	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.6	175.2	-68.5	177.2	-146.2	0	0	110.1	G427 L428 L460 R461 N462	E408-G427 WeakPolarHBondContact CA-O 3.28Å; E408-L428 HydrophobicContact CB-CD1 4.46Å; E408-L428 HydrophobicContact CG-CD1 3.5Å; E408-L460 WeakPolarHBondContact O-CA 3.3Å; E408-R461 HydrophobicContact CB-CG 4.1Å; E408-R461 WeakPolarHBondContact CB-O 3.27Å; E408-R461 PolarHBondContact N-O 2.88Å; E408-R461 PolarHBondContact O-N 3.45Å; E408-R461 IonicContact OE2-CZ 3.03Å; E408-R461 IonicContact OE2-NH1 2.97Å; E408-R461 PolarHBondContact OE2-NH1 2.85Å; E408-R461 IonicContact OE2-NH2 3.73Å; E408-R461 PolarHBondContact OE2-NH2 2.93Å; E408-N462 HydrophobicContact CG-CB 4.37Å; E408-N462 PolarHBondContact OE1-ND2 2.87Å
409	Y	95.8	Very high	86.8	Confident	35 Å²	35	40.6 Å²	40.6	14%	0.137	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.7	174.2	70.6	-86.7	0	0	0	111.7	V425 K426 G427 L429 I440 H459	Y409-V425 HydrophobicContact CE2-CB 4.46Å; Y409-V425 HydrophobicContact CE2-CG1 3.75Å; Y409-K426 WeakPolarHBondContact O-CA 3.39Å; Y409-G427 WeakPolarHBondContact CD1-O 3.39Å; Y409-G427 PolarHBondContact N-O 2.98Å; Y409-G427 PolarHBondContact O-N 3.28Å; Y409-L429 HydrophobicContact CD1-CD1 4.28Å; Y409-L429 HydrophobicContact CD1-CD2 4.25Å; Y409-L429 HydrophobicContact CD1-CG 3.65Å; Y409-L429 HydrophobicContact CE1-CD2 3.83Å; Y409-L429 HydrophobicContact CE1-CG 3.74Å; Y409-I440 HydrophobicContact CD1-CD1 4.07Å; Y409-I440 HydrophobicContact CD1-CG1 4.17Å; Y409-I440 HydrophobicContact CD2-CB 4.46Å; Y409-I440 HydrophobicContact CD2-CD1 3.62Å; Y409-I440 HydrophobicContact CD2-CG1 3.92Å; Y409-I440 HydrophobicContact CD2-CG2 3.7Å; Y409-I440 HydrophobicContact CE1-CG1 4.18Å; Y409-I440 HydrophobicContact CE2-CB 4.25Å; Y409-I440 HydrophobicContact CE2-CD1 4.19Å; Y409-I440 HydrophobicContact CE2-CG1 3.96Å; Y409-I440 HydrophobicContact CE2-CG2 3.31Å; Y409-I440 HydrophobicContact CG-CD1 3.53Å; Y409-I440 HydrophobicContact CG-CG1 4.01Å; Y409-H459 VanDerWaalsContact CA-O 3.24Å; Y409-H459 WeakPolarHBondContact CA-O 3.29Å
410	F	93.5	Very high	87.1	Confident	47 Å²	47	45.7 Å²	45.7	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150	176.7	63	-72.3	0	0	0	110.2	L412 V425 K426 H459 R461	F410-L412 HydrophobicContact CD2-CD2 4.07Å; F410-L412 HydrophobicContact CD2-CG 3.93Å; F410-L412 HydrophobicContact CE2-CD1 3.74Å; F410-L412 HydrophobicContact CE2-CD2 3.84Å; F410-L412 HydrophobicContact CE2-CG 3.57Å; F410-L412 HydrophobicContact CZ-CD1 4.46Å; F410-V425 CarbonylContact C-O 3.59Å; F410-V425 WeakPolarHBondContact CA-O 3.46Å; F410-K426 HydrophobicContact CB-CB 4.09Å; F410-H459 HydrophobicContact CD1-CB 4.15Å; F410-H459 HydrophobicContact CE1-CB 3.5Å; F410-H459 VanDerWaalsContact CE1-CB 3.5Å; F410-H459 HydrophobicContact CE2-CB 4.25Å; F410-H459 HydrophobicContact CZ-CB 3.58Å; F410-H459 PolarHBondContact N-O 2.87Å; F410-H459 PolarHBondContact O-N 3.39Å; F410-R461 HydrophobicContact CD1-CG 4.14Å; F410-R461 HydrophobicContact CE1-CB 4.41Å; F410-R461 HydrophobicContact CE1-CG 3.69Å; F410-R461 VanDerWaalsContact CE1-NE 3.29Å
411	T	93.8	Very high	87.3	Confident	15 Å²	15	45.1 Å²	45.1	9%	0.092	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.7	171.3	55.2	0	0	0	0	111.2	Y422 P424 V425 I442 F456 T457 V458	T411-Y422 HydrophobicContact CG2-CE2 3.95Å; T411-P424 WeakPolarHBondContact OG1-CA 3.25Å; T411-V425 HydrophobicContact CG2-CB 4.49Å; T411-V425 PolarHBondContact N-O 3.24Å; T411-V425 PolarHBondContact OG1-N 3.37Å; T411-V425 VanDerWaalsContact OG1-N 3.16Å; T411-V425 PolarHBondContact OG1-O 3.01Å; T411-I442 HydrophobicContact CG2-CD1 4.33Å; T411-F456 HydrophobicContact CG2-CD2 4.35Å; T411-F456 HydrophobicContact CG2-CE2 4.21Å; T411-T457 CarbonylContact C-O 3.13Å; T411-T457 VanDerWaalsContact CA-O 3.28Å; T411-T457 WeakPolarHBondContact CA-O 3.32Å; T411-V458 HydrophobicContact CG2-CG2 4.02Å
412	L	89	Confident	87.7	Confident	79 Å²	79	42.6 Å²	42.6	41%	0.414	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.9	169	-73.6	179.8	0	0	0	109.4	F410 F456 T457	F410-L412 HydrophobicContact CD2-CD2 4.07Å; F410-L412 HydrophobicContact CD2-CG 3.93Å; F410-L412 HydrophobicContact CE2-CD1 3.74Å; F410-L412 HydrophobicContact CE2-CD2 3.84Å; F410-L412 HydrophobicContact CE2-CG 3.57Å; F410-L412 HydrophobicContact CZ-CD1 4.46Å; L412-F456 WeakPolarHBondContact O-CB 3.37Å; L412-T457 PolarHBondContact N-O 3.45Å; L412-T457 PolarHBondContact O-N 2.95Å; L412-T457 PolarHBondContact O-OG1 2.91Å
413	D	83.7	Confident	88.1	Confident	88 Å²	88	41.5 Å²	41.5	47%	0.471	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	139.6	174.5	-56.7	-11.5	0	0	0	110.4	A416 A418 Y422	D413-A416 WeakPolarHBondContact CA-O 3.39Å; D413-A416 WeakPolarHBondContact CB-O 3.36Å; D413-A418 VanDerWaalsContact OD1-CB 3.25Å; D413-A418 WeakPolarHBondContact OD1-CB 3.49Å; D413-A418 PolarHBondContact OD1-N 2.9Å; D413-Y422 PolarHBondContact N-OH 3.38Å; D413-Y422 WeakPolarHBondContact OD1-CE1 3.3Å; D413-Y422 PolarHBondContact OD1-OH 2.67Å
414	G	79.7	Confident	88.5	Confident	41 Å²	41	45.4 Å²	45.4	42%	0.423	27%	0.266	S	S	.	.	S	Bend	trans	-112.6	-109.7	170.6	0	0	0	0	0	109	A416 H455	G414-A416 PolarHBondContact N-O 3.42Å; G414-H455 CarbonylContact C-O 3.58Å; G414-H455 WeakPolarHBondContact CA-O 3.17Å; G414-H455 PolarHBondContact N-O 2.97Å
415	T	75	Confident	88.7	Confident	69 Å²	69	45.7 Å²	45.7	42%	0.423	27%	0.268	S	S	.	.	S	Bend	trans	-81.2	-31.9	160.5	50.6	0	0	0	0	111.4	E454 H455	T415-E454 WeakPolarHBondContact OG1-CA 3.41Å; T415-E454 WeakPolarHBondContact OG1-CB 3.49Å; T415-H455 PolarHBondContact N-O 3.1Å; T415-H455 PolarHBondContact OG1-N 2.87Å; T415-H455 PolarHBondContact OG1-ND1 3.42Å
416	A	83.1	Confident	88.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-75.4	130.2	173.1	0	0	0	0	0	111.4	D413 G414 D421 Y422 E454 H455 F456	D413-A416 WeakPolarHBondContact CA-O 3.39Å; D413-A416 WeakPolarHBondContact CB-O 3.36Å; G414-A416 PolarHBondContact N-O 3.42Å; A416-D421 WeakPolarHBondContact CA-OD2 3.45Å; A416-D421 HydrophobicContact CB-CB 4.06Å; A416-Y422 HydrophobicContact CB-CD1 4.34Å; A416-E454 WeakPolarHBondContact CA-OE2 3.27Å; A416-E454 HydrophobicContact CB-CB 3.82Å; A416-H455 PolarHBondContact N-O 3.41Å; A416-F456 HydrophobicContact CB-CB 4.29Å; A416-F456 HydrophobicContact CB-CD1 4.2Å
417	V	84.6	Confident	88.9	Confident	61 Å²	61	55.7 Å²	55.7	37%	0.37	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-98	128.9	-175.7	-178	0	0	0	0	111	G419 E420 D421	V417-G419 PolarHBondContact O-N 3.15Å; V417-E420 HydrophobicContact CB-CB 4.34Å; V417-E420 HydrophobicContact CG1-CG 4.47Å; V417-E420 PolarHBondContact O-N 2.76Å; V417-D421 WeakPolarHBondContact CA-OD2 3.5Å; V417-D421 PolarHBondContact N-OD2 3.11Å; V417-D421 PolarHBondContact O-N 3.03Å
418	A	88.3	Confident	88.9	Confident	34 Å²	34	60 Å²	60	28%	0.281	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-61.2	125.5	176.3	0	0	0	0	0	112.6	D413 E420 Y422 P424	D413-A418 VanDerWaalsContact OD1-CB 3.25Å; D413-A418 WeakPolarHBondContact OD1-CB 3.49Å; D413-A418 PolarHBondContact OD1-N 2.9Å; A418-E420 VanDerWaalsContact C-N 3.35Å; A418-Y422 HydrophobicContact CB-CE1 4.03Å; A418-P424 HydrophobicContact CB-CB 3.91Å; A418-P424 HydrophobicContact CB-CG 3.89Å
419	G	84.8	Confident	88.9	Confident	54 Å²	54	58.3 Å²	58.3	56%	0.557	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-12	178.8	0	0	0	0	0	114.9	V417 Y422 I445	V417-G419 PolarHBondContact O-N 3.15Å; G419-Y422 PolarHBondContact N-O 3.1Å; G419-I445 WeakPolarHBondContact O-CD1 3.38Å
420	E	84.2	Confident	88.7	Confident	137 Å²	137	60.2 Å²	60.2	64%	0.64	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-53.7	168.5	-65.8	-179.5	171.1	0	0	108.2	V417 A418 I445	V417-E420 HydrophobicContact CB-CB 4.34Å; V417-E420 HydrophobicContact CG1-CG 4.47Å; V417-E420 PolarHBondContact O-N 2.76Å; A418-E420 VanDerWaalsContact C-N 3.35Å; E420-I445 VanDerWaalsContact O-CB 3.29Å; E420-I445 WeakPolarHBondContact O-CB 3.36Å; E420-I445 WeakPolarHBondContact O-CD1 3.27Å; E420-I445 WeakPolarHBondContact O-CG2 3.47Å
421	D	84.5	Confident	88.7	Confident	20 Å²	20	58 Å²	58	11%	0.107	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-26.2	-172.7	-38.2	-55.3	0	0	0	113.2	A416 V417 I444 I445	A416-D421 WeakPolarHBondContact CA-OD2 3.45Å; A416-D421 HydrophobicContact CB-CB 4.06Å; V417-D421 WeakPolarHBondContact CA-OD2 3.5Å; V417-D421 PolarHBondContact N-OD2 3.11Å; V417-D421 PolarHBondContact O-N 3.03Å; D421-I444 WeakPolarHBondContact O-CG2 3.31Å; D421-I445 PolarHBondContact O-N 2.83Å
422	Y	92.7	Very high	88.5	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-150.9	155	-180	80.5	-78.8	0	0	0	113.5	T411 D413 A416 A418 G419 P424 I442 S443 F456	T411-Y422 HydrophobicContact CG2-CE2 3.95Å; D413-Y422 PolarHBondContact N-OH 3.38Å; D413-Y422 WeakPolarHBondContact OD1-CE1 3.3Å; D413-Y422 PolarHBondContact OD1-OH 2.67Å; A416-Y422 HydrophobicContact CB-CD1 4.34Å; A418-Y422 HydrophobicContact CB-CE1 4.03Å; G419-Y422 PolarHBondContact N-O 3.1Å; Y422-P424 HydrophobicContact CE2-CB 4.28Å; Y422-P424 WeakPolarHBondContact O-CD 2.98Å; Y422-I442 HydrophobicContact CD2-CG2 4.47Å; Y422-S443 WeakPolarHBondContact CA-O 3.41Å; Y422-F456 HydrophobicContact CD1-CB 4.27Å; Y422-F456 AromaticContact CD1-CD1 3.83Å; Y422-F456 HydrophobicContact CD1-CD1 3.83Å; Y422-F456 HydrophobicContact CD1-CE1 4.3Å; Y422-F456 AromaticContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD2-CD1 4.37Å; Y422-F456 HydrophobicContact CD2-CD2 4.05Å; Y422-F456 HydrophobicContact CD2-CE1 4.28Å; Y422-F456 AromaticContact CD2-CE2 3.96Å; Y422-F456 HydrophobicContact CD2-CE2 3.96Å; Y422-F456 HydrophobicContact CD2-CG 4.26Å; Y422-F456 HydrophobicContact CD2-CZ 4.08Å; Y422-F456 HydrophobicContact CE1-CB 3.79Å; Y422-F456 HydrophobicContact CE1-CD1 4.21Å; Y422-F456 HydrophobicContact CE1-CD2 4.37Å; Y422-F456 AromaticContact CE1-CG 3.88Å; Y422-F456 HydrophobicContact CE1-CG 3.88Å; Y422-F456 AromaticContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CE2 4.1Å; Y422-F456 HydrophobicContact CE2-CG 4.15Å; Y422-F456 AromaticContact CG-CD1 3.93Å; Y422-F456 HydrophobicContact CG-CD1 3.93Å; Y422-F456 HydrophobicContact CG-CD2 4.41Å; Y422-F456 AromaticContact CG-CE1 3.94Å; Y422-F456 HydrophobicContact CG-CE1 3.94Å; Y422-F456 HydrophobicContact CG-CE2 4.42Å; Y422-F456 HydrophobicContact CG-CG 4.17Å; Y422-F456 HydrophobicContact CG-CZ 4.2Å; Y422-F456 AromaticContact CZ-CG 3.97Å
423	E	91.7	Very high	88.4	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	35%	0.351	S	S	.	.			trans	-83	119.5	173.2	-65.4	-169.4	170.5	0	0	111	V425 S443	E423-V425 WeakPolarHBondContact O-CG2 3.27Å; E423-V425 PolarHBondContact O-N 3.5Å; E423-S443 PolarHBondContact N-O 3.32Å
424	P	92.9	Very high	88.4	Confident	82 Å²	82	56.5 Å²	56.5	53%	0.532	35%	0.352	S	S	.	.			trans	-70.7	130.4	-178	28.5	-35.9	0	0	0	112.3	T411 A418 Y422	T411-P424 WeakPolarHBondContact OG1-CA 3.25Å; A418-P424 HydrophobicContact CB-CB 3.91Å; A418-P424 HydrophobicContact CB-CG 3.89Å; Y422-P424 HydrophobicContact CE2-CB 4.28Å; Y422-P424 WeakPolarHBondContact O-CD 2.98Å
425	V	93.8	Very high	88.8	Confident	35 Å²	35	57.4 Å²	57.4	21%	0.212	35%	0.345	C	S	.	.			trans	-118.4	135	-178.4	-165.5	0	0	0	0	110.8	Y409 F410 T411 E423 I442	Y409-V425 HydrophobicContact CE2-CB 4.46Å; Y409-V425 HydrophobicContact CE2-CG1 3.75Å; F410-V425 CarbonylContact C-O 3.59Å; F410-V425 WeakPolarHBondContact CA-O 3.46Å; T411-V425 HydrophobicContact CG2-CB 4.49Å; T411-V425 PolarHBondContact N-O 3.24Å; T411-V425 PolarHBondContact OG1-N 3.37Å; T411-V425 VanDerWaalsContact OG1-N 3.16Å; T411-V425 PolarHBondContact OG1-O 3.01Å; E423-V425 WeakPolarHBondContact O-CG2 3.27Å; E423-V425 PolarHBondContact O-N 3.5Å; V425-I442 HydrophobicContact CG2-CG1 4.49Å
426	K	94.2	Very high	89.4	Confident	181 Å²	181	57.2 Å²	57.2	79%	0.787	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	137	170.2	67	-175.5	179.4	-172.9	0	110.7	Y409 F410	Y409-K426 WeakPolarHBondContact O-CA 3.39Å; F410-K426 HydrophobicContact CB-CB 4.09Å
427	G	93.1	Very high	89.8	Confident	30 Å²	30	62 Å²	62	31%	0.309	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-173.4	-177	0	0	0	0	0	115.1	E408 Y409	E408-G427 WeakPolarHBondContact CA-O 3.28Å; Y409-G427 WeakPolarHBondContact CD1-O 3.39Å; Y409-G427 PolarHBondContact N-O 2.98Å; Y409-G427 PolarHBondContact O-N 3.28Å
428	L	94.2	Very high	90.2	Very high	90 Å²	90	61.9 Å²	61.9	47%	0.471	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.3	177.5	-174.5	80.3	0	0	0	109.2	E408	E408-L428 HydrophobicContact CB-CD1 4.46Å; E408-L428 HydrophobicContact CG-CD1 3.5Å
429	L	93.8	Very high	90.5	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.063	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116	169.7	-66.9	178	0	0	0	109.3	V394 S406 V407 Y409 F431 K438 I440	V394-L429 HydrophobicContact CB-CD1 4Å; V394-L429 HydrophobicContact CG2-CD1 3.65Å; S406-L429 CarbonylContact C-O 3.59Å; S406-L429 WeakPolarHBondContact CA-O 3.38Å; V407-L429 HydrophobicContact CG1-CB 3.81Å; V407-L429 HydrophobicContact CG1-CD1 4.27Å; V407-L429 PolarHBondContact N-O 3.29Å; V407-L429 PolarHBondContact O-N 2.7Å; Y409-L429 HydrophobicContact CD1-CD1 4.28Å; Y409-L429 HydrophobicContact CD1-CD2 4.25Å; Y409-L429 HydrophobicContact CD1-CG 3.65Å; Y409-L429 HydrophobicContact CE1-CD2 3.83Å; Y409-L429 HydrophobicContact CE1-CG 3.74Å; L429-F431 HydrophobicContact CB-CE2 4.13Å; L429-F431 HydrophobicContact CD1-CE2 4.48Å; L429-K438 HydrophobicContact CD1-CB 4.19Å; L429-K438 HydrophobicContact CD2-CB 4.11Å; L429-K438 HydrophobicContact CD2-CD 4.26Å; L429-I440 HydrophobicContact CD1-CD1 4.02Å; L429-I440 HydrophobicContact CD1-CG1 3.89Å; L429-I440 HydrophobicContact CD2-CG1 4.17Å; L429-I440 HydrophobicContact CG-CG1 4.32Å
430	L	93.1	Very high	90.9	Very high	75 Å²	75	62.9 Å²	62.9	39%	0.393	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	172.8	-176.3	70.7	0	0	0	109.6	V404 K438 K466	V404-L430 HydrophobicContact CG1-CD1 3.58Å; V404-L430 HydrophobicContact CG1-CG 4.13Å; L430-K438 WeakPolarHBondContact O-CE 3.36Å; L430-K438 PolarHBondContact O-NZ 3.28Å; L430-K466 HydrophobicContact CD1-CG 4.01Å
431	F	92.8	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.6	172.7	-74.4	-100.3	0	0	0	110.2	F374 V394 R396 V404 V405 V407 L429 E435 K438	F374-F431 HydrophobicContact CD1-CD2 4.39Å; F374-F431 HydrophobicContact CD1-CE2 4.23Å; F374-F431 AromaticContact CE1-CD2 3.92Å; F374-F431 HydrophobicContact CE1-CD2 3.92Å; F374-F431 HydrophobicContact CE1-CE2 4.21Å; F374-F431 HydrophobicContact CE1-CG 4.09Å; V394-F431 HydrophobicContact CB-CZ 4.09Å; V394-F431 HydrophobicContact CG1-CE2 4.21Å; V394-F431 HydrophobicContact CG1-CZ 3.86Å; R396-F431 HydrophobicContact CB-CD1 4.22Å; R396-F431 HydrophobicContact CB-CE1 4.19Å; V404-F431 VanDerWaalsContact CA-O 3.29Å; V404-F431 WeakPolarHBondContact CA-O 3.26Å; V404-F431 WeakPolarHBondContact CG1-O 3.34Å; V405-F431 PolarHBondContact N-O 3.07Å; V405-F431 WeakPolarHBondContact O-CB 3.36Å; V405-F431 PolarHBondContact O-N 3.4Å; V407-F431 HydrophobicContact CG1-CD2 4.43Å; V407-F431 HydrophobicContact CG1-CE2 3.9Å; L429-F431 HydrophobicContact CB-CE2 4.13Å; L429-F431 HydrophobicContact CD1-CE2 4.48Å; F431-E435 WeakPolarHBondContact CA-OE2 3.47Å; F431-E435 HydrophobicContact CD1-CB 4.29Å; F431-K438 HydrophobicContact CD1-CG 4.27Å; F431-K438 HydrophobicContact CE1-CB 4.15Å; F431-K438 HydrophobicContact CE1-CG 4.02Å; F431-K438 HydrophobicContact CE2-CB 4.35Å; F431-K438 HydrophobicContact CE2-CG 4.46Å; F431-K438 HydrophobicContact CZ-CB 3.86Å; F431-K438 HydrophobicContact CZ-CG 4.11Å
432	S	89.6	Confident	91.8	Very high	45 Å²	45	60.4 Å²	60.4	32%	0.315	33%	0.334	S	S	.	.			trans	-73.6	168.9	174.6	-43.7	0	0	0	0	111.5	R396 G434 E435	R396-S432 PolarHBondContact NH2-O 3.02Å; S432-G434 PolarHBondContact O-N 3.31Å; S432-E435 VanDerWaalsContact CB-CD 3.44Å; S432-E435 WeakPolarHBondContact CB-OE1 3.34Å; S432-E435 PolarHBondContact N-OE2 3.47Å; S432-E435 PolarHBondContact O-N 3.08Å; S432-E435 VanDerWaalsContact O-N 3.14Å; S432-E435 PolarHBondContact OG-OE1 3.32Å; S432-E435 PolarHBondContact OG-OE2 3.26Å
433	A	86.5	Confident	91.8	Very high	58 Å²	58	61.7 Å²	61.7	48%	0.479	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	125.8	173.6	0	0	0	0	0	111	H402 E435	H402-A433 WeakPolarHBondContact O-CB 3.43Å; A433-E435 VanDerWaalsContact C-N 3.35Å; A433-E435 PolarHBondContact O-N 2.86Å
434	G	83.5	Confident	91.7	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-9.2	179.5	0	0	0	0	0	116.1	M401 S432 T436	M401-G434 PolarHBondContact O-N 3.48Å; S432-G434 PolarHBondContact O-N 3.31Å; G434-T436 PolarHBondContact O-N 2.84Å
435	E	88.8	Confident	91.4	Very high	60 Å²	60	55.8 Å²	55.8	28%	0.28	31%	0.31	S	S	.	.			trans	-74	118.7	178.6	-69.5	177.9	178.1	0	0	111.1	R396 F431 S432 A433 K438	R396-E435 PolarHBondContact NE-O 3.12Å; R396-E435 VanDerWaalsContact NH2-N 3.19Å; R396-E435 PolarHBondContact NH2-O 3.4Å; F431-E435 WeakPolarHBondContact CA-OE2 3.47Å; F431-E435 HydrophobicContact CD1-CB 4.29Å; S432-E435 VanDerWaalsContact CB-CD 3.44Å; S432-E435 WeakPolarHBondContact CB-OE1 3.34Å; S432-E435 PolarHBondContact N-OE2 3.47Å; S432-E435 PolarHBondContact O-N 3.08Å; S432-E435 VanDerWaalsContact O-N 3.14Å; S432-E435 PolarHBondContact OG-OE1 3.32Å; S432-E435 PolarHBondContact OG-OE2 3.26Å; A433-E435 VanDerWaalsContact C-N 3.35Å; A433-E435 PolarHBondContact O-N 2.86Å; E435-K438 IonicContact OE1-NZ 3.63Å; E435-K438 WeakPolarHBondContact OE2-CE 3.31Å; E435-K438 IonicContact OE2-NZ 2.7Å; E435-K438 PolarHBondContact OE2-NZ 2.91Å
436	T	87.8	Confident	90.8	Very high	65 Å²	65	58.5 Å²	58.5	40%	0.399	32%	0.323	S	S	.	.			trans	-93.4	-17.6	-178.6	61.6	0	0	0	0	113	T395 R396 M401 G434	T395-T436 CarbonylContact C-O 3.56Å; T395-T436 WeakPolarHBondContact CA-O 3.26Å; R396-T436 PolarHBondContact N-O 3.49Å; M401-T436 HydrophobicContact CE-CG2 3.87Å; G434-T436 PolarHBondContact O-N 2.84Å
437	H	91.5	Very high	90	Very high	101 Å²	101	52.9 Å²	52.9	47%	0.468	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.1	179.7	61.5	-78.2	0	0	0	111.8	T393 V394	T393-H437 HydrophobicContact CG2-CB 3.96Å; V394-H437 CarbonylContact O-C 3.49Å; V394-H437 WeakPolarHBondContact O-CA 3.2Å; V394-H437 WeakPolarHBondContact O-CB 3.36Å
438	K	93.4	Very high	89	Confident	59 Å²	59	58.7 Å²	58.7	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155	169.6	-79.1	-138.7	169.5	-175.1	0	111.3	T393 V394 L429 L430 F431 E435	T393-K438 CarbonylContact C-O 3.54Å; T393-K438 WeakPolarHBondContact CA-O 3.5Å; V394-K438 PolarHBondContact N-O 3.48Å; V394-K438 PolarHBondContact O-N 3.03Å; L429-K438 HydrophobicContact CD1-CB 4.19Å; L429-K438 HydrophobicContact CD2-CB 4.11Å; L429-K438 HydrophobicContact CD2-CD 4.26Å; L430-K438 WeakPolarHBondContact O-CE 3.36Å; L430-K438 PolarHBondContact O-NZ 3.28Å; F431-K438 HydrophobicContact CD1-CG 4.27Å; F431-K438 HydrophobicContact CE1-CB 4.15Å; F431-K438 HydrophobicContact CE1-CG 4.02Å; F431-K438 HydrophobicContact CE2-CB 4.35Å; F431-K438 HydrophobicContact CE2-CG 4.46Å; F431-K438 HydrophobicContact CZ-CB 3.86Å; F431-K438 HydrophobicContact CZ-CG 4.11Å; E435-K438 IonicContact OE1-NZ 3.63Å; E435-K438 WeakPolarHBondContact OE2-CE 3.31Å; E435-K438 IonicContact OE2-NZ 2.7Å; E435-K438 PolarHBondContact OE2-NZ 2.91Å
439	Q	93	Very high	87.9	Confident	107 Å²	107	59.6 Å²	59.6	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.6	-177.9	-68.5	177.5	-18.4	0	0	111.6	P391 V392	P391-Q439 HydrophobicContact CB-CB 4.11Å; P391-Q439 HydrophobicContact CB-CG 4.16Å; V392-Q439 CarbonylContact O-C 3.59Å; V392-Q439 VanDerWaalsContact O-CA 3.26Å; V392-Q439 WeakPolarHBondContact O-CA 3.39Å
440	I	94.1	Very high	86.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121	172	-59.3	162.4	0	0	0	106.4	F376 P391 V392 V394 Y409 L429 I442 V458	F376-I440 HydrophobicContact CE1-CD1 4.24Å; P391-I440 CarbonylContact C-O 3.59Å; P391-I440 WeakPolarHBondContact CA-O 3.27Å; V392-I440 HydrophobicContact CB-CB 4.34Å; V392-I440 PolarHBondContact N-O 3.31Å; V392-I440 PolarHBondContact O-N 3.35Å; V394-I440 HydrophobicContact CG2-CD1 4.12Å; Y409-I440 HydrophobicContact CD1-CD1 4.07Å; Y409-I440 HydrophobicContact CD1-CG1 4.17Å; Y409-I440 HydrophobicContact CD2-CB 4.46Å; Y409-I440 HydrophobicContact CD2-CD1 3.62Å; Y409-I440 HydrophobicContact CD2-CG1 3.92Å; Y409-I440 HydrophobicContact CD2-CG2 3.7Å; Y409-I440 HydrophobicContact CE1-CG1 4.18Å; Y409-I440 HydrophobicContact CE2-CB 4.25Å; Y409-I440 HydrophobicContact CE2-CD1 4.19Å; Y409-I440 HydrophobicContact CE2-CG1 3.96Å; Y409-I440 HydrophobicContact CE2-CG2 3.31Å; Y409-I440 HydrophobicContact CG-CD1 3.53Å; Y409-I440 HydrophobicContact CG-CG1 4.01Å; L429-I440 HydrophobicContact CD1-CD1 4.02Å; L429-I440 HydrophobicContact CD1-CG1 3.89Å; L429-I440 HydrophobicContact CD2-CG1 4.17Å; L429-I440 HydrophobicContact CG-CG1 4.32Å; I440-I442 HydrophobicContact CG2-CD1 4.39Å; I440-I442 HydrophobicContact CG2-CG1 4.03Å; I440-V458 HydrophobicContact CD1-CG1 4.05Å
441	M	94	Very high	85.3	Confident	106 Å²	106	62.8 Å²	62.8	52%	0.522	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.1	177.4	-59.4	-59.3	-72.4	0	0	109.2	T389 P391	T389-M441 HydrophobicContact CG2-CB 4.28Å; T389-M441 HydrophobicContact CG2-CE 3.94Å; P391-M441 HydrophobicContact CB-SD 3.81Å
442	I	93.8	Very high	84.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	179.1	-54.3	178.8	0	0	0	108.5	T389 F390 V392 T411 Y422 V425 I440 F456 V458	T389-I442 CarbonylContact C-O 3.49Å; T389-I442 WeakPolarHBondContact CA-O 3.31Å; T389-I442 WeakPolarHBondContact CG2-O 3.48Å; F390-I442 WeakPolarHBondContact CD1-O 3.05Å; F390-I442 HydrophobicContact CE1-CB 4.03Å; F390-I442 HydrophobicContact CE1-CG2 4.26Å; F390-I442 HydrophobicContact CZ-CB 4.18Å; F390-I442 PolarHBondContact N-O 3.49Å; F390-I442 PolarHBondContact O-N 2.92Å; V392-I442 HydrophobicContact CB-CD1 4.45Å; V392-I442 HydrophobicContact CG2-CD1 3.74Å; V392-I442 HydrophobicContact CG2-CG1 4.47Å; T411-I442 HydrophobicContact CG2-CD1 4.33Å; Y422-I442 HydrophobicContact CD2-CG2 4.47Å; V425-I442 HydrophobicContact CG2-CG1 4.49Å; I440-I442 HydrophobicContact CG2-CD1 4.39Å; I440-I442 HydrophobicContact CG2-CG1 4.03Å; I442-F456 HydrophobicContact CD1-CE2 4.11Å; I442-F456 HydrophobicContact CG2-CE2 4.01Å; I442-F456 HydrophobicContact CG2-CZ 3.75Å; I442-V458 HydrophobicContact CD1-CG2 3.38Å
443	S	91.9	Very high	83.3	Confident	27 Å²	27	70.9 Å²	70.9	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134	-179.7	-58.6	0	0	0	0	110.9	G388 T389 Y422 E423	G388-S443 CarbonylContact O-C 3.59Å; G388-S443 WeakPolarHBondContact O-CA 3.45Å; T389-S443 WeakPolarHBondContact CG2-OG 3.33Å; T389-S443 PolarHBondContact OG1-OG 3.41Å; Y422-S443 WeakPolarHBondContact CA-O 3.41Å; E423-S443 PolarHBondContact N-O 3.32Å
444	I	90.4	Very high	83	Confident	11 Å²	11	70.2 Å²	70.2	6%	0.056	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-103.8	142.4	175.7	-55.8	-57.2	0	0	0	108.2	V383 E385 V387 G388 F390 D421 F456 V486	V383-I444 HydrophobicContact CG2-CD1 4.38Å; V383-I444 HydrophobicContact CG2-CG1 4.1Å; E385-I444 HydrophobicContact CG-CG2 4.48Å; E385-I444 VanDerWaalsContact O-CG2 3.29Å; E385-I444 WeakPolarHBondContact O-CG2 3.32Å; V387-I444 HydrophobicContact CG1-CB 3.95Å; V387-I444 HydrophobicContact CG1-CG1 3.66Å; G388-I444 PolarHBondContact O-N 2.85Å; F390-I444 HydrophobicContact CD1-CG1 4.16Å; F390-I444 HydrophobicContact CE1-CD1 3.87Å; F390-I444 HydrophobicContact CE1-CG1 3.8Å; D421-I444 WeakPolarHBondContact O-CG2 3.31Å; I444-F456 HydrophobicContact CD1-CE1 3.68Å; I444-F456 HydrophobicContact CD1-CZ 4Å; I444-V486 HydrophobicContact CD1-CG2 4.03Å; I444-V486 HydrophobicContact CG2-CG1 4.05Å
445	I	87	Confident	82.8	Confident	62 Å²	62	71.5 Å²	71.5	32%	0.318	36%	0.356	S	S	.	.			trans	-96.4	137.7	178.1	-59.3	170	0	0	0	107.3	E385 G419 E420 D421	E385-I445 WeakPolarHBondContact CG-O 3.34Å; G419-I445 WeakPolarHBondContact O-CD1 3.38Å; E420-I445 VanDerWaalsContact O-CB 3.29Å; E420-I445 WeakPolarHBondContact O-CB 3.36Å; E420-I445 WeakPolarHBondContact O-CD1 3.27Å; E420-I445 WeakPolarHBondContact O-CG2 3.47Å; D421-I445 PolarHBondContact O-N 2.83Å
446	D	80.9	Confident	82.6	Confident	92 Å²	92	68.6 Å²	68.6	49%	0.492	34%	0.342	S	S	.	.			trans	-118.8	127.3	-170.9	-175.8	49.1	0	0	0	110	N386	N386-D446 WeakPolarHBondContact CA-OD1 3.14Å; N386-D446 WeakPolarHBondContact CB-OD1 3.4Å; N386-D446 PolarHBondContact N-OD1 3.48Å
447	D	76.8	Confident	82.4	Confident	62 Å²	62	66.7 Å²	66.7	33%	0.332	33%	0.331	S	S	.	.			trans	-126.1	-164	173.3	85.6	39.4	0	0	0	114.5	E385 I449	E385-D447 PolarHBondContact OE1-N 2.91Å; D447-I449 WeakPolarHBondContact OD1-CB 2.75Å; D447-I449 PolarHBondContact OD1-N 3.43Å
448	D	72.2	Confident	82.4	Confident	152 Å²	152	61.9 Å²	61.9	81%	0.813	31%	0.308	S	S	*	.	S	Bend	trans	-127	21.8	-174	-72.6	-57.3	0	0	0	111	D490	D448-D490 VanDerWaalsContact CA-OD2 3.26Å; D448-D490 WeakPolarHBondContact CA-OD2 3.09Å
449	I	71.3	Confident	82.3	Confident	109 Å²	109	61.3 Å²	61.3	56%	0.559	31%	0.306	S	S	*	.	S	Bend	trans	-116.3	124.7	-177	-58.7	176.3	0	0	0	108.6	D447 E451 D490	D447-I449 WeakPolarHBondContact OD1-CB 2.75Å; D447-I449 PolarHBondContact OD1-N 3.43Å; I449-E451 WeakPolarHBondContact O-CG 3.3Å; I449-E451 PolarHBondContact O-N 3.18Å; I449-E451 VanDerWaalsContact O-N 3.12Å; I449-D490 PolarHBondContact N-OD2 3.4Å; I449-D490 VanDerWaalsContact N-OD2 3.11Å
450	F	65	Low	82.2	Confident	92 Å²	92	56.6 Å²	56.6	40%	0.404	29%	0.285	S	S	.	.			trans	-58.4	116.8	172.5	175.5	-100.8	0	0	0	112.6	D488 D490 H491	F450-D488 VanDerWaalsContact CA-OD1 3.31Å; F450-D488 WeakPolarHBondContact CA-OD1 3.19Å; F450-D488 WeakPolarHBondContact CD2-OD2 3.37Å; F450-D490 HydrophobicContact CB-CB 4.41Å; F450-H491 HydrophobicContact CD2-CB 3.53Å; F450-H491 HydrophobicContact CE2-CB 3.55Å; F450-H491 HydrophobicContact CG-CB 4.47Å
451	E	67.5	Low	82.1	Confident	62 Å²	62	62 Å²	62	29%	0.29	31%	0.305	S	S	.	.			trans	-114.4	169.2	174	-61.3	-167.8	164.5	0	0	111.9	I449 D488	I449-E451 WeakPolarHBondContact O-CG 3.3Å; I449-E451 PolarHBondContact O-N 3.18Å; I449-E451 VanDerWaalsContact O-N 3.12Å; E451-D488 PolarHBondContact N-OD1 3.39Å
452	E	66.2	Low	81.7	Confident	163 Å²	163	61 Å²	61	76%	0.762	30%	0.302	S	S	*	.			trans	-81.2	148.4	172	-67.2	-171.4	164.5	0	0	109.1	E454	E452-E454 WeakPolarHBondContact O-CG 3.5Å; E452-E454 PolarHBondContact O-N 2.93Å
453	D	73.8	Confident	81.5	Confident	52 Å²	52	62.7 Å²	62.7	28%	0.278	31%	0.311	S	S	.	.			trans	-55.9	125.8	177.4	-61.9	-32.5	0	0	0	110.8	L487 D488	D453-L487 HydrophobicContact CB-CD2 4.1Å; D453-D488 PolarHBondContact OD1-N 2.96Å
454	E	79.7	Confident	81.2	Confident	44 Å²	44	65.4 Å²	65.4	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	167.3	-173.2	-52.7	-155.2	130.7	0	0	113	T415 A416 E452 M485 V486	T415-E454 WeakPolarHBondContact OG1-CA 3.41Å; T415-E454 WeakPolarHBondContact OG1-CB 3.49Å; A416-E454 WeakPolarHBondContact CA-OE2 3.27Å; A416-E454 HydrophobicContact CB-CB 3.82Å; E452-E454 WeakPolarHBondContact O-CG 3.5Å; E452-E454 PolarHBondContact O-N 2.93Å; E454-M485 CarbonylContact O-C 3.33Å; E454-M485 WeakPolarHBondContact O-CA 3.46Å; E454-V486 PolarHBondContact N-O 3.08Å; E454-V486 PolarHBondContact O-N 3.23Å
455	H	79.6	Confident	81.1	Confident	74 Å²	74	67.5 Å²	67.5	34%	0.343	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.3	177.4	70.2	-70.7	0	0	0	112.9	G414 T415 A416 T483 I484	G414-H455 CarbonylContact C-O 3.58Å; G414-H455 WeakPolarHBondContact CA-O 3.17Å; G414-H455 PolarHBondContact N-O 2.97Å; T415-H455 PolarHBondContact N-O 3.1Å; T415-H455 PolarHBondContact OG1-N 2.87Å; T415-H455 PolarHBondContact OG1-ND1 3.42Å; A416-H455 PolarHBondContact N-O 3.41Å; H455-T483 HydrophobicContact CB-CG2 4.38Å; H455-I484 CarbonylContact C-O 3.56Å; H455-I484 WeakPolarHBondContact CA-O 3.08Å; H455-I484 VanDerWaalsContact CB-O 3.27Å; H455-I484 WeakPolarHBondContact CB-O 3.4Å
456	F	85	Confident	81	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	171	166.9	67.5	-86.1	0	0	0	109.7	F390 T411 L412 A416 Y422 I442 I444 V458 I484 V486	F390-F456 HydrophobicContact CZ-CZ 4.45Å; T411-F456 HydrophobicContact CG2-CD2 4.35Å; T411-F456 HydrophobicContact CG2-CE2 4.21Å; L412-F456 WeakPolarHBondContact O-CB 3.37Å; A416-F456 HydrophobicContact CB-CB 4.29Å; A416-F456 HydrophobicContact CB-CD1 4.2Å; Y422-F456 HydrophobicContact CD1-CB 4.27Å; Y422-F456 AromaticContact CD1-CD1 3.83Å; Y422-F456 HydrophobicContact CD1-CD1 3.83Å; Y422-F456 HydrophobicContact CD1-CE1 4.3Å; Y422-F456 AromaticContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD2-CD1 4.37Å; Y422-F456 HydrophobicContact CD2-CD2 4.05Å; Y422-F456 HydrophobicContact CD2-CE1 4.28Å; Y422-F456 AromaticContact CD2-CE2 3.96Å; Y422-F456 HydrophobicContact CD2-CE2 3.96Å; Y422-F456 HydrophobicContact CD2-CG 4.26Å; Y422-F456 HydrophobicContact CD2-CZ 4.08Å; Y422-F456 HydrophobicContact CE1-CB 3.79Å; Y422-F456 HydrophobicContact CE1-CD1 4.21Å; Y422-F456 HydrophobicContact CE1-CD2 4.37Å; Y422-F456 AromaticContact CE1-CG 3.88Å; Y422-F456 HydrophobicContact CE1-CG 3.88Å; Y422-F456 AromaticContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CE2 4.1Å; Y422-F456 HydrophobicContact CE2-CG 4.15Å; Y422-F456 AromaticContact CG-CD1 3.93Å; Y422-F456 HydrophobicContact CG-CD1 3.93Å; Y422-F456 HydrophobicContact CG-CD2 4.41Å; Y422-F456 AromaticContact CG-CE1 3.94Å; Y422-F456 HydrophobicContact CG-CE1 3.94Å; Y422-F456 HydrophobicContact CG-CE2 4.42Å; Y422-F456 HydrophobicContact CG-CG 4.17Å; Y422-F456 HydrophobicContact CG-CZ 4.2Å; Y422-F456 AromaticContact CZ-CG 3.97Å; I442-F456 HydrophobicContact CD1-CE2 4.11Å; I442-F456 HydrophobicContact CG2-CE2 4.01Å; I442-F456 HydrophobicContact CG2-CZ 3.75Å; I444-F456 HydrophobicContact CD1-CE1 3.68Å; I444-F456 HydrophobicContact CD1-CZ 4Å; F456-V458 HydrophobicContact CE2-CG2 4.32Å; F456-I484 HydrophobicContact CD1-CB 4.18Å; F456-I484 HydrophobicContact CD1-CG2 4.33Å; F456-I484 HydrophobicContact CD2-CB 4.39Å; F456-I484 HydrophobicContact CD2-CD1 4.41Å; F456-I484 HydrophobicContact CE1-CB 3.75Å; F456-I484 HydrophobicContact CE1-CG1 4.43Å; F456-I484 HydrophobicContact CE1-CG2 3.54Å; F456-I484 HydrophobicContact CE2-CB 3.97Å; F456-I484 HydrophobicContact CE2-CD1 3.99Å; F456-I484 HydrophobicContact CE2-CG1 3.87Å; F456-I484 HydrophobicContact CE2-CG2 4.45Å; F456-I484 HydrophobicContact CG-CB 4.48Å; F456-I484 HydrophobicContact CZ-CB 3.63Å; F456-I484 HydrophobicContact CZ-CD1 4.43Å; F456-I484 HydrophobicContact CZ-CG1 3.8Å; F456-I484 HydrophobicContact CZ-CG2 3.61Å; F456-I484 PolarHBondContact N-O 3.23Å; F456-I484 PolarHBondContact O-N 2.68Å; F456-V486 HydrophobicContact CD1-CG2 4.27Å; F456-V486 HydrophobicContact CE1-CG2 3.99Å
457	T	83.6	Confident	81	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.153	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.6	-174.7	56.6	0	0	0	0	112.8	T411 L412 H459 V481 A482 T483	T411-T457 CarbonylContact C-O 3.13Å; T411-T457 VanDerWaalsContact CA-O 3.28Å; T411-T457 WeakPolarHBondContact CA-O 3.32Å; L412-T457 PolarHBondContact N-O 3.45Å; L412-T457 PolarHBondContact O-N 2.95Å; L412-T457 PolarHBondContact O-OG1 2.91Å; T457-H459 WeakPolarHBondContact CB-NE2 3.11Å; T457-H459 PolarHBondContact OG1-CD2 3.5Å; T457-H459 PolarHBondContact OG1-NE2 2.93Å; T457-V481 HydrophobicContact CG2-CG1 4.12Å; T457-A482 CarbonylContact C-O 3.55Å; T457-A482 WeakPolarHBondContact CA-O 3.15Å; T457-T483 HydrophobicContact CG2-CG2 4.43Å
458	V	91.1	Very high	81.1	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.7	172.9	-173.7	0	0	0	0	108.3	F376 T411 I440 I442 F456 V481 A482 I484	F376-V458 HydrophobicContact CE1-CG1 4.2Å; F376-V458 WeakPolarHBondContact CE2-O 3.31Å; F376-V458 HydrophobicContact CZ-CB 4.05Å; F376-V458 HydrophobicContact CZ-CG1 3.76Å; F376-V458 WeakPolarHBondContact CZ-O 3.5Å; T411-V458 HydrophobicContact CG2-CG2 4.02Å; I440-V458 HydrophobicContact CD1-CG1 4.05Å; I442-V458 HydrophobicContact CD1-CG2 3.38Å; F456-V458 HydrophobicContact CE2-CG2 4.32Å; V458-V481 WeakPolarHBondContact O-CA 3.28Å; V458-A482 HydrophobicContact CB-CB 4.41Å; V458-A482 PolarHBondContact N-O 3.25Å; V458-A482 PolarHBondContact O-N 3.01Å; V458-I484 HydrophobicContact CB-CD1 4.29Å; V458-I484 HydrophobicContact CG2-CD1 3.49Å; V458-I484 VanDerWaalsContact CG2-CD1 3.49Å
459	H	91.8	Very high	81.2	Confident	46 Å²	46	67.6 Å²	67.6	21%	0.213	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.9	-173.9	-70.8	-108.6	0	0	0	110.8	Y409 F410 T457 V481	Y409-H459 VanDerWaalsContact CA-O 3.24Å; Y409-H459 WeakPolarHBondContact CA-O 3.29Å; F410-H459 HydrophobicContact CD1-CB 4.15Å; F410-H459 HydrophobicContact CE1-CB 3.5Å; F410-H459 VanDerWaalsContact CE1-CB 3.5Å; F410-H459 HydrophobicContact CE2-CB 4.25Å; F410-H459 HydrophobicContact CZ-CB 3.58Å; F410-H459 PolarHBondContact N-O 2.87Å; F410-H459 PolarHBondContact O-N 3.39Å; T457-H459 WeakPolarHBondContact CB-NE2 3.11Å; T457-H459 PolarHBondContact OG1-CD2 3.5Å; T457-H459 PolarHBondContact OG1-NE2 2.93Å; H459-V481 WeakPolarHBondContact ND1-CG2 3.24Å
460	L	90.3	Very high	81.3	Confident	9 Å²	9	65.8 Å²	65.8	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.1	165.8	-61.4	175	0	0	0	109.9	F376 V394 V407 E408 L476 M480	F376-L460 HydrophobicContact CD2-CD1 4.04Å; F376-L460 HydrophobicContact CD2-CG 4.17Å; F376-L460 HydrophobicContact CE1-CD1 4.41Å; F376-L460 HydrophobicContact CE1-CD2 4.18Å; F376-L460 HydrophobicContact CE1-CG 4.21Å; F376-L460 HydrophobicContact CE2-CB 4.45Å; F376-L460 HydrophobicContact CE2-CD1 3.88Å; F376-L460 HydrophobicContact CE2-CD2 4.26Å; F376-L460 HydrophobicContact CE2-CG 3.5Å; F376-L460 VanDerWaalsContact CE2-CG 3.5Å; F376-L460 HydrophobicContact CG-CD1 4.4Å; F376-L460 HydrophobicContact CZ-CD1 4.06Å; F376-L460 HydrophobicContact CZ-CD2 3.73Å; F376-L460 HydrophobicContact CZ-CG 3.5Å; V394-L460 HydrophobicContact CB-CD1 4.5Å; V394-L460 HydrophobicContact CG1-CD1 3.64Å; V394-L460 HydrophobicContact CG1-CD2 4.34Å; V394-L460 HydrophobicContact CG2-CD1 4.06Å; V394-L460 HydrophobicContact CG2-CD2 3.77Å; V394-L460 HydrophobicContact CG2-CG 4.46Å; V407-L460 HydrophobicContact CG1-CD2 4.34Å; V407-L460 HydrophobicContact CG2-CB 3.87Å; V407-L460 HydrophobicContact CG2-CD2 3.97Å; V407-L460 HydrophobicContact CG2-CG 4.35Å; E408-L460 WeakPolarHBondContact O-CA 3.3Å; L460-L476 HydrophobicContact CB-CD1 4.48Å; L460-L476 HydrophobicContact CB-CD2 3.7Å; L460-L476 HydrophobicContact CD1-CD2 4.15Å; L460-L476 WeakPolarHBondContact O-CD1 3.09Å; L460-M480 PolarHBondContact N-O 3.43Å; L460-M480 VanDerWaalsContact N-O 3.12Å
461	R	91.4	Very high	81.8	Confident	113 Å²	113	69.9 Å²	69.9	43%	0.426	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	165.1	173.3	65.1	177.1	177.4	76.1	17.4	111.6	E408 F410	E408-R461 HydrophobicContact CB-CG 4.1Å; E408-R461 WeakPolarHBondContact CB-O 3.27Å; E408-R461 PolarHBondContact N-O 2.88Å; E408-R461 PolarHBondContact O-N 3.45Å; E408-R461 IonicContact OE2-CZ 3.03Å; E408-R461 IonicContact OE2-NH1 2.97Å; E408-R461 PolarHBondContact OE2-NH1 2.85Å; E408-R461 IonicContact OE2-NH2 3.73Å; E408-R461 PolarHBondContact OE2-NH2 2.93Å; F410-R461 HydrophobicContact CD1-CG 4.14Å; F410-R461 HydrophobicContact CE1-CB 4.41Å; F410-R461 HydrophobicContact CE1-CG 3.69Å; F410-R461 VanDerWaalsContact CE1-NE 3.29Å
462	N	87	Confident	82.4	Confident	87 Å²	87	67.9 Å²	67.9	47%	0.465	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	68.2	170.7	-159.5	28.9	0	0	0	113.8	E408 E464	E408-N462 HydrophobicContact CG-CB 4.37Å; E408-N462 PolarHBondContact OE1-ND2 2.87Å; N462-E464 PolarHBondContact O-N 3.49Å
463	L	89.5	Confident	83.2	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	119.9	168.7	-81.9	162.5	0	0	0	109.7	F374 V405 S406 V407 P474 V475 L476	F374-L463 HydrophobicContact CB-CD1 4.4Å; F374-L463 HydrophobicContact CB-CD2 4.1Å; F374-L463 HydrophobicContact CD1-CD2 4.06Å; F374-L463 HydrophobicContact CD2-CD1 4.1Å; F374-L463 HydrophobicContact CD2-CD2 3.52Å; F374-L463 HydrophobicContact CE1-CD2 4.36Å; F374-L463 HydrophobicContact CE2-CD2 3.88Å; F374-L463 HydrophobicContact CG-CD2 3.63Å; F374-L463 HydrophobicContact CZ-CD2 4.28Å; V405-L463 HydrophobicContact CG1-CD2 3.73Å; S406-L463 WeakPolarHBondContact O-CA 3.43Å; V407-L463 HydrophobicContact CB-CD2 4.01Å; V407-L463 HydrophobicContact CG2-CD2 4.25Å; V407-L463 HydrophobicContact CG2-CG 4.41Å; L463-P474 HydrophobicContact CB-CB 4.42Å; L463-P474 HydrophobicContact CB-CG 4.46Å; L463-P474 HydrophobicContact CD1-CB 4.29Å; L463-P474 HydrophobicContact CD2-CB 4.42Å; L463-V475 VanDerWaalsContact CD1-C 3.5Å; L463-L476 HydrophobicContact CD1-CB 4.28Å; L463-L476 HydrophobicContact CD1-CD2 3.9Å; L463-L476 HydrophobicContact CD1-CG 3.55Å; L463-L476 VanDerWaalsContact CD1-N 3.35Å; L463-L476 HydrophobicContact CG-CD2 4.24Å; L463-L476 HydrophobicContact CG-CG 4.15Å
464	E	86.2	Confident	83.8	Confident	84 Å²	84	63.3 Å²	63.3	39%	0.393	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.8	178.1	-164.5	-168.8	147.8	0	0	110.2	V405 S406 N462 K466	V405-E464 WeakPolarHBondContact CA-O 3.27Å; S406-E464 PolarHBondContact N-O 3.35Å; S406-E464 PolarHBondContact O-N 3.4Å; S406-E464 PolarHBondContact OG-O 2.89Å; N462-E464 PolarHBondContact O-N 3.49Å; E464-K466 PolarHBondContact O-N 3.25Å; E464-K466 IonicContact OE1-NZ 2.67Å; E464-K466 PolarHBondContact OE1-NZ 3.48Å; E464-K466 WeakPolarHBondContact OE2-CE 3.49Å; E464-K466 IonicContact OE2-NZ 2.6Å; E464-K466 PolarHBondContact OE2-NZ 3.29Å
465	V	86.5	Confident	84.3	Confident	54 Å²	54	64.3 Å²	64.3	33%	0.327	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.1	173.1	-178	0	0	0	0	108.6	V405 I472 P474	V405-V465 HydrophobicContact CG2-CG2 4.42Å; V465-I472 HydrophobicContact CB-CD1 4.34Å; V465-I472 HydrophobicContact CG1-CD1 3.75Å; V465-I472 HydrophobicContact CG1-CG1 4.22Å; V465-I472 HydrophobicContact CG2-CD1 3.6Å; V465-I472 HydrophobicContact CG2-CG1 3.99Å; V465-P474 HydrophobicContact CG2-CG 3.62Å
466	K	84.8	Confident	84.6	Confident	98 Å²	98	63.2 Å²	63.2	43%	0.426	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-37.7	177.6	-62.5	-66.4	174.3	-174	0	111.9	V404 S406 L430 E464	V404-K466 HydrophobicContact CB-CB 4.4Å; V404-K466 HydrophobicContact CG1-CB 4.06Å; V404-K466 PolarHBondContact O-N 2.8Å; S406-K466 WeakPolarHBondContact OG-CE 3.33Å; L430-K466 HydrophobicContact CD1-CG 4.01Å; E464-K466 PolarHBondContact O-N 3.25Å; E464-K466 IonicContact OE1-NZ 2.67Å; E464-K466 PolarHBondContact OE1-NZ 3.48Å; E464-K466 WeakPolarHBondContact OE2-CE 3.49Å; E464-K466 IonicContact OE2-NZ 2.6Å; E464-K466 PolarHBondContact OE2-NZ 3.29Å
467	H	81.1	Confident	84.5	Confident	133 Å²	133	65.1 Å²	65.1	62%	0.616	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	126.7	178	-172	71.7	0	0	0	110.5	A403 V404	A403-H467 CarbonylContact C-O 3.52Å; A403-H467 WeakPolarHBondContact CA-O 3.38Å; V404-H467 HydrophobicContact CB-CB 4.04Å; V404-H467 HydrophobicContact CG2-CB 4.15Å; V404-H467 PolarHBondContact N-O 2.9Å; V404-H467 PolarHBondContact O-N 2.95Å
468	S	78.7	Confident	83.8	Confident	37 Å²	37	69.8 Å²	69.8	26%	0.259	36%	0.36	S	S	.	.			trans	-145	140.8	171.9	-174.9	0	0	0	0	110.6	T470	S468-T470 WeakPolarHBondContact CB-O 3.49Å; S468-T470 PolarHBondContact OG-N 3.37Å; S468-T470 PolarHBondContact OG-O 3.47Å
469	S	75.5	Confident	82.5	Confident	102 Å²	102	71.9 Å²	71.9	71%	0.713	37%	0.373	S	S	*	.	S	Bend	trans	-83.3	-20.2	172.8	69.5	0	0	0	0	112.5	D400	D400-S469 PolarHBondContact OD2-OG 2.71Å
470	T	73.9	Confident	82.1	Confident	72 Å²	72	74 Å²	74	44%	0.442	38%	0.384	S	S	.	.	S	Bend	trans	-124.3	157	-175.1	57.4	0	0	0	0	111.1	D400 S468 I472	D400-T470 PolarHBondContact OD2-OG1 3.24Å; S468-T470 WeakPolarHBondContact CB-O 3.49Å; S468-T470 PolarHBondContact OG-N 3.37Å; S468-T470 PolarHBondContact OG-O 3.47Å; T470-I472 PolarHBondContact O-N 3.1Å
471	K	75.3	Confident	81.6	Confident	178 Å²	178	75.5 Å²	75.5	77%	0.774	39%	0.394	S	S	*	.			trans	-69.3	104	171.2	-170.8	-173.6	179.6	-161.8	0	107.9
472	I	79.5	Confident	81.2	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.097	37%	0.374	C	S	.	.			trans	-106.7	147.3	176.2	54.4	159.7	0	0	0	110.2	D400 A403 V405 V465 T470	D400-I472 HydrophobicContact CB-CG2 3.92Å; A403-I472 HydrophobicContact CB-CD1 3.46Å; A403-I472 VanDerWaalsContact CB-CD1 3.46Å; V405-I472 HydrophobicContact CG2-CD1 4.07Å; V465-I472 HydrophobicContact CB-CD1 4.34Å; V465-I472 HydrophobicContact CG1-CD1 3.75Å; V465-I472 HydrophobicContact CG1-CG1 4.22Å; V465-I472 HydrophobicContact CG2-CD1 3.6Å; V465-I472 HydrophobicContact CG2-CG1 3.99Å; T470-I472 PolarHBondContact O-N 3.1Å
473	E	82.9	Confident	80.7	Confident	88 Å²	88	68.1 Å²	68.1	41%	0.411	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	97	170.3	-69.9	-177.1	-177.7	0	0	108	Q372	Q372-E473 PolarHBondContact N-O 2.91Å
474	P	87.2	Confident	80.4	Confident	32 Å²	32	66.4 Å²	66.4	21%	0.208	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.9	172.7	33.1	-35	0	0	0	109.8	Q372 F374 V405 L463 V465	Q372-P474 CarbonylContact O-C 3.6Å; Q372-P474 WeakPolarHBondContact O-CA 3.44Å; F374-P474 HydrophobicContact CD2-CB 4.33Å; F374-P474 HydrophobicContact CE2-CB 3.86Å; V405-P474 HydrophobicContact CG1-CB 4.32Å; L463-P474 HydrophobicContact CB-CB 4.42Å; L463-P474 HydrophobicContact CB-CG 4.46Å; L463-P474 HydrophobicContact CD1-CB 4.29Å; L463-P474 HydrophobicContact CD2-CB 4.42Å; V465-P474 HydrophobicContact CG2-CG 3.62Å
475	V	88.9	Confident	80	Confident	65 Å²	65	65.5 Å²	65.5	39%	0.394	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.5	-177.5	-175.2	0	0	0	0	109.1	V371 Q372 R373 F374 L463 V477	V371-V475 HydrophobicContact CG1-CB 4.43Å; V371-V475 HydrophobicContact CG1-CG2 3.98Å; Q372-V475 PolarHBondContact O-N 3.38Å; R373-V475 WeakPolarHBondContact CA-O 3.38Å; F374-V475 PolarHBondContact N-O 3.46Å; L463-V475 VanDerWaalsContact CD1-C 3.5Å; V475-V477 HydrophobicContact CG1-CG2 4.46Å
476	L	86.8	Confident	79.6	Confident	51 Å²	51	63.4 Å²	63.4	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.2	165.6	-75.3	171	0	0	0	107.7	F374 V407 L460 L463 M480	F374-L476 HydrophobicContact CB-CD2 4.23Å; F374-L476 WeakPolarHBondContact O-CA 3.32Å; V407-L476 HydrophobicContact CG2-CD2 4.46Å; L460-L476 HydrophobicContact CB-CD1 4.48Å; L460-L476 HydrophobicContact CB-CD2 3.7Å; L460-L476 HydrophobicContact CD1-CD2 4.15Å; L460-L476 WeakPolarHBondContact O-CD1 3.09Å; L463-L476 HydrophobicContact CD1-CB 4.28Å; L463-L476 HydrophobicContact CD1-CD2 3.9Å; L463-L476 HydrophobicContact CD1-CG 3.55Å; L463-L476 VanDerWaalsContact CD1-N 3.35Å; L463-L476 HydrophobicContact CG-CD2 4.24Å; L463-L476 HydrophobicContact CG-CG 4.15Å; L476-M480 HydrophobicContact CB-CB 4.4Å
477	V	83.6	Confident	78.7	Confident	39 Å²	39	60 Å²	60	24%	0.236	33%	0.326	C	S	.	.			trans	-114.1	152.6	176.6	-175.3	0	0	0	0	107.9	R373 F374 F375 V475 P479 M480	R373-V477 HydrophobicContact CB-CB 4.5Å; R373-V477 HydrophobicContact CB-CG2 3.69Å; R373-V477 HydrophobicContact CG-CG2 3.71Å; F374-V477 PolarHBondContact O-N 3.25Å; F375-V477 VanDerWaalsContact CB-O 3.25Å; F375-V477 WeakPolarHBondContact CB-O 3.18Å; V475-V477 HydrophobicContact CG1-CG2 4.46Å; V477-P479 CarbonylContact O-C 3.48Å; V477-M480 PolarHBondContact O-N 3.08Å
478	D	67.1	Low	78.2	Confident	123 Å²	123	54.1 Å²	54.1	66%	0.658	30%	0.299	S	S	*	.	S	Bend	trans	-62.5	136.3	174	-68.5	-50.9	0	0	0	111
479	P	65.4	Low	77.6	Confident	44 Å²	44	53.7 Å²	53.7	29%	0.286	29%	0.294	S	S	.	.			cis	-84.8	120.5	1.7	32.1	-33.6	0	0	0	113.1	F376 V477	F376-P479 HydrophobicContact CB-CG 4.17Å; F376-P479 PolarHBondContact N-O 3.33Å; F376-P479 WeakPolarHBondContact O-CG 3.48Å; V477-P479 CarbonylContact O-C 3.48Å
480	M	82.1	Confident	77.1	Confident	90 Å²	90	50.4 Å²	50.4	44%	0.443	27%	0.268	S	S	.	.			trans	-87.7	-10.2	174.4	61.7	175.4	171.4	0	0	113.9	F376 L460 L476 V477	F376-M480 VanDerWaalsContact CE2-O 3.31Å; F376-M480 WeakPolarHBondContact CE2-O 3.27Å; L460-M480 PolarHBondContact N-O 3.43Å; L460-M480 VanDerWaalsContact N-O 3.12Å; L476-M480 HydrophobicContact CB-CB 4.4Å; V477-M480 PolarHBondContact O-N 3.08Å
481	V	81.5	Confident	77	Confident	42 Å²	42	47.8 Å²	47.8	26%	0.255	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.8	174.5	-176.7	0	0	0	0	107.7	F376 T457 V458 H459	F376-V481 VanDerWaalsContact CD2-C 3.43Å; T457-V481 HydrophobicContact CG2-CG1 4.12Å; V458-V481 WeakPolarHBondContact O-CA 3.28Å; H459-V481 WeakPolarHBondContact ND1-CG2 3.24Å
482	A	81.6	Confident	76.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.6	167.3	0	0	0	0	0	109.1	F376 G379 Y381 V392 T457 V458 I484	F376-A482 HydrophobicContact CB-CB 4.16Å; F376-A482 HydrophobicContact CD1-CB 3.74Å; F376-A482 HydrophobicContact CD2-CB 3.72Å; F376-A482 VanDerWaalsContact CD2-N 3.28Å; F376-A482 HydrophobicContact CE1-CB 3.95Å; F376-A482 HydrophobicContact CE2-CB 3.88Å; F376-A482 VanDerWaalsContact CE2-N 3.27Å; F376-A482 HydrophobicContact CG-CB 3.62Å; F376-A482 HydrophobicContact CZ-CB 4.01Å; G379-A482 VanDerWaalsContact O-CA 3.3Å; G379-A482 WeakPolarHBondContact O-CA 3.09Å; Y381-A482 HydrophobicContact CD2-CB 4.21Å; Y381-A482 HydrophobicContact CE2-CB 4.09Å; V392-A482 HydrophobicContact CG1-CB 4.16Å; T457-A482 CarbonylContact C-O 3.55Å; T457-A482 WeakPolarHBondContact CA-O 3.15Å; V458-A482 HydrophobicContact CB-CB 4.41Å; V458-A482 PolarHBondContact N-O 3.25Å; V458-A482 PolarHBondContact O-N 3.01Å; A482-I484 HydrophobicContact CB-CD1 4.32Å; A482-I484 WeakPolarHBondContact O-CD1 3.26Å
483	T	76.6	Confident	76.7	Confident	44 Å²	44	39 Å²	39	27%	0.27	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129	172	-56.5	0	0	0	0	109.1	G379 H380 Y381 H455 T457	G379-T483 PolarHBondContact O-N 3.08Å; G379-T483 VanDerWaalsContact O-N 3.08Å; H380-T483 CarbonylContact C-O 3.57Å; H380-T483 WeakPolarHBondContact CA-O 3.03Å; Y381-T483 PolarHBondContact N-O 3.23Å; H455-T483 HydrophobicContact CB-CG2 4.38Å; T457-T483 HydrophobicContact CG2-CG2 4.43Å
484	I	83.9	Confident	76.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.4	176.2	-60.9	66.8	0	0	0	106.4	Y381 V383 F390 V392 H455 F456 V458 A482	Y381-I484 CarbonylContact O-C 3.55Å; Y381-I484 WeakPolarHBondContact O-CA 3.05Å; V383-I484 HydrophobicContact CG2-CG2 3.89Å; F390-I484 HydrophobicContact CE1-CG2 4.35Å; F390-I484 HydrophobicContact CE2-CG1 4.27Å; F390-I484 HydrophobicContact CE2-CG2 4.36Å; F390-I484 HydrophobicContact CZ-CB 4.44Å; F390-I484 HydrophobicContact CZ-CG1 3.89Å; F390-I484 HydrophobicContact CZ-CG2 3.62Å; V392-I484 HydrophobicContact CG2-CG1 4.43Å; H455-I484 CarbonylContact C-O 3.56Å; H455-I484 WeakPolarHBondContact CA-O 3.08Å; H455-I484 VanDerWaalsContact CB-O 3.27Å; H455-I484 WeakPolarHBondContact CB-O 3.4Å; F456-I484 HydrophobicContact CD1-CB 4.18Å; F456-I484 HydrophobicContact CD1-CG2 4.33Å; F456-I484 HydrophobicContact CD2-CB 4.39Å; F456-I484 HydrophobicContact CD2-CD1 4.41Å; F456-I484 HydrophobicContact CE1-CB 3.75Å; F456-I484 HydrophobicContact CE1-CG1 4.43Å; F456-I484 HydrophobicContact CE1-CG2 3.54Å; F456-I484 HydrophobicContact CE2-CB 3.97Å; F456-I484 HydrophobicContact CE2-CD1 3.99Å; F456-I484 HydrophobicContact CE2-CG1 3.87Å; F456-I484 HydrophobicContact CE2-CG2 4.45Å; F456-I484 HydrophobicContact CG-CB 4.48Å; F456-I484 HydrophobicContact CZ-CB 3.63Å; F456-I484 HydrophobicContact CZ-CD1 4.43Å; F456-I484 HydrophobicContact CZ-CG1 3.8Å; F456-I484 HydrophobicContact CZ-CG2 3.61Å; F456-I484 PolarHBondContact N-O 3.23Å; F456-I484 PolarHBondContact O-N 2.68Å; V458-I484 HydrophobicContact CB-CD1 4.29Å; V458-I484 HydrophobicContact CG2-CD1 3.49Å; V458-I484 VanDerWaalsContact CG2-CD1 3.49Å; A482-I484 HydrophobicContact CB-CD1 4.32Å; A482-I484 WeakPolarHBondContact O-CD1 3.26Å
485	M	78.2	Confident	76.8	Confident	64 Å²	64	33.9 Å²	33.9	32%	0.315	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.6	172.4	-174	167.4	67.1	0	0	108.8	Y381 T382 V383 E454 L487	Y381-M485 PolarHBondContact O-N 2.76Å; T382-M485 CarbonylContact C-O 3.53Å; T382-M485 WeakPolarHBondContact CA-O 3.43Å; T382-M485 HydrophobicContact CG2-CE 3.57Å; V383-M485 PolarHBondContact N-O 3.46Å; E454-M485 CarbonylContact O-C 3.33Å; E454-M485 WeakPolarHBondContact O-CA 3.46Å; M485-L487 HydrophobicContact CE-CD2 4.04Å; M485-L487 HydrophobicContact CG-CD2 4.1Å; M485-L487 HydrophobicContact SD-CD2 4.34Å
486	V	76.4	Confident	76.9	Confident	10 Å²	10	32.8 Å²	32.8	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.8	174.5	-174	0	0	0	0	107.3	V383 E385 I444 E454 F456	V383-V486 HydrophobicContact CG2-CG2 4.28Å; V383-V486 CarbonylContact O-C 3.54Å; V383-V486 WeakPolarHBondContact O-CA 3.5Å; E385-V486 HydrophobicContact CB-CG1 4.36Å; E385-V486 HydrophobicContact CG-CG1 4.42Å; I444-V486 HydrophobicContact CD1-CG2 4.03Å; I444-V486 HydrophobicContact CG2-CG1 4.05Å; E454-V486 PolarHBondContact N-O 3.08Å; E454-V486 PolarHBondContact O-N 3.23Å; F456-V486 HydrophobicContact CD1-CG2 4.27Å; F456-V486 HydrophobicContact CE1-CG2 3.99Å
487	L	67.6	Low	77.1	Confident	28 Å²	28	30.3 Å²	30.3	15%	0.147	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.3	178.9	-63.6	-177.8	0	0	0	109.6	T382 V383 M384 E385 D453 M485	T382-L487 HydrophobicContact CG2-CD1 3.35Å; T382-L487 HydrophobicContact CG2-CD2 4.27Å; T382-L487 HydrophobicContact CG2-CG 3.63Å; V383-L487 PolarHBondContact O-N 2.77Å; M384-L487 HydrophobicContact SD-CB 4.17Å; M384-L487 HydrophobicContact SD-CD1 4.44Å; E385-L487 PolarHBondContact N-O 2.96Å; D453-L487 HydrophobicContact CB-CD2 4.1Å; M485-L487 HydrophobicContact CE-CD2 4.04Å; M485-L487 HydrophobicContact CG-CD2 4.1Å; M485-L487 HydrophobicContact SD-CD2 4.34Å
488	D	70.5	Confident	77.2	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.043	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-67	134.5	170.1	172	103.6	0	0	0	109.8	F450 E451 D453 D490 G520	F450-D488 VanDerWaalsContact CA-OD1 3.31Å; F450-D488 WeakPolarHBondContact CA-OD1 3.19Å; F450-D488 WeakPolarHBondContact CD2-OD2 3.37Å; E451-D488 PolarHBondContact N-OD1 3.39Å; D453-D488 PolarHBondContact OD1-N 2.96Å; D488-D490 PolarHBondContact OD2-N 3.36Å; D488-G520 WeakPolarHBondContact O-CA 3.48Å; D488-G520 PolarHBondContact O-N 3.29Å; D488-G520 VanDerWaalsContact O-N 3.13Å
489	D	65.7	Low	78.2	Confident	28 Å²	28	28.9 Å²	28.9	15%	0.15	16%	0.159	C	C	.	.			trans	-108	6.7	-175.7	80.6	-8.9	0	0	0	114.9	M384 N386	M384-D489 HydrophobicContact CE-CB 3.29Å; N386-D489 PolarHBondContact ND2-OD2 3.38Å
490	D	65.1	Low	79.2	Confident	34 Å²	34	30.5 Å²	30.5	18%	0.182	17%	0.168	C	C	.	.			trans	-93.2	-15.7	-163.9	-104.6	-26.5	0	0	0	116.1	D448 I449 F450 D488	D448-D490 VanDerWaalsContact CA-OD2 3.26Å; D448-D490 WeakPolarHBondContact CA-OD2 3.09Å; I449-D490 PolarHBondContact N-OD2 3.4Å; I449-D490 VanDerWaalsContact N-OD2 3.11Å; F450-D490 HydrophobicContact CB-CB 4.41Å; D488-D490 PolarHBondContact OD2-N 3.36Å
491	H	71.7	Confident	79.5	Confident	16 Å²	16	30.6 Å²	30.6	7%	0.074	17%	0.17	C	C	.	.	S	Bend	trans	-92.9	163.8	175.5	179.2	83.1	0	0	0	113.7	F450 G493 S519 G520 C521 R522 T643	F450-H491 HydrophobicContact CD2-CB 3.53Å; F450-H491 HydrophobicContact CE2-CB 3.55Å; F450-H491 HydrophobicContact CG-CB 4.47Å; H491-G493 PolarHBondContact CD2-N 3.47Å; H491-G493 PolarHBondContact O-N 2.64Å; H491-S519 WeakPolarHBondContact CB-O 3.49Å; H491-S519 PolarHBondContact CD2-O 2.98Å; H491-S519 VanDerWaalsContact CG-O 3.3Å; H491-G520 CarbonylContact O-C 2.97Å; H491-G520 WeakPolarHBondContact O-CA 3.41Å; H491-C521 PolarHBondContact O-N 3.48Å; H491-R522 WeakPolarHBondContact O-CB 3.38Å; H491-R522 PolarHBondContact O-N 3.14Å; H491-T643 PolarHBondContact CE1-O 3.34Å; H491-T643 PolarHBondContact ND1-O 3.29Å
492	S	69.1	Low	79.9	Confident	14 Å²	14	30.5 Å²	30.5	10%	0.098	17%	0.168	C	C	.	.	S	Bend	trans	-78.3	0.6	177.9	-61.1	0	0	0	0	114	R517 R522 G644	S492-R517 PolarHBondContact O-NE 2.91Å; S492-R517 PolarHBondContact O-NH2 3.4Å; S492-R522 WeakPolarHBondContact CA-O 2.97Å; S492-R522 WeakPolarHBondContact CB-O 3.46Å; S492-G644 WeakPolarHBondContact CB-O 3.41Å; S492-G644 PolarHBondContact OG-O 3.15Å
493	G	78.8	Confident	80.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.			trans	94.3	140.3	174.2	0	0	0	0	0	116.6	H491 F495 S519 G520 P646 R647	H491-G493 PolarHBondContact CD2-N 3.47Å; H491-G493 PolarHBondContact O-N 2.64Å; G493-F495 WeakPolarHBondContact O-CE2 3.29Å; G493-S519 WeakPolarHBondContact CA-O 3.24Å; G493-G520 WeakPolarHBondContact CA-O 3.33Å; G493-G520 PolarHBondContact N-O 3.32Å; G493-P646 VanDerWaalsContact O-CA 3.3Å; G493-P646 WeakPolarHBondContact O-CA 3.45Å; G493-R647 PolarHBondContact O-N 3.34Å
494	V	83.5	Confident	80.6	Confident	11 Å²	11	33.5 Å²	33.5	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	171.4	-179	0	0	0	0	108.6	R517 V518 R647	V494-R517 CarbonylContact O-C 3.48Å; V494-R517 WeakPolarHBondContact O-CA 3.23Å; V494-V518 WeakPolarHBondContact CA-O 3.49Å; V494-V518 HydrophobicContact CB-CG2 3.9Å; V494-V518 WeakPolarHBondContact CB-O 3.15Å; V494-V518 HydrophobicContact CG1-CG2 4.29Å; V494-V518 PolarHBondContact N-O 3.37Å; V494-V518 PolarHBondContact O-N 3Å; V494-R647 CarbonylContact C-O 3.58Å; V494-R647 VanDerWaalsContact CA-O 3.32Å; V494-R647 WeakPolarHBondContact CA-O 3.3Å; V494-R647 HydrophobicContact CB-CG 4.39Å; V494-R647 HydrophobicContact CG1-CG 4.27Å; V494-R647 HydrophobicContact CG2-CG 3.76Å; V494-R647 VanDerWaalsContact CG2-NE 3.34Å
495	F	89.4	Confident	80.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	-172.2	-64.6	-92.4	0	0	0	111.5	G493 Q516 R517 V525 L527 F552 P584 P646 R647 G649	G493-F495 WeakPolarHBondContact O-CE2 3.29Å; F495-Q516 WeakPolarHBondContact CA-O 3.36Å; F495-R517 HydrophobicContact CD1-CB 4.06Å; F495-R517 HydrophobicContact CD1-CG 4.25Å; F495-R517 HydrophobicContact CE1-CB 3.73Å; F495-R517 HydrophobicContact CE1-CG 3.64Å; F495-R517 HydrophobicContact CE2-CG 4.19Å; F495-R517 HydrophobicContact CZ-CB 4.24Å; F495-R517 HydrophobicContact CZ-CG 3.61Å; F495-V525 HydrophobicContact CD2-CG1 4.46Å; F495-V525 HydrophobicContact CE1-CB 4.38Å; F495-V525 HydrophobicContact CE1-CG1 4.29Å; F495-V525 HydrophobicContact CE2-CB 4.11Å; F495-V525 HydrophobicContact CE2-CG1 3.65Å; F495-V525 HydrophobicContact CE2-CG2 4.13Å; F495-V525 HydrophobicContact CZ-CB 3.58Å; F495-V525 HydrophobicContact CZ-CG1 3.52Å; F495-V525 HydrophobicContact CZ-CG2 3.83Å; F495-L527 HydrophobicContact CB-CD1 3.9Å; F495-L527 HydrophobicContact CB-CD2 3.89Å; F495-L527 HydrophobicContact CD1-CD2 3.94Å; F495-L527 HydrophobicContact CG-CD1 4.2Å; F495-L527 HydrophobicContact CG-CD2 4.18Å; F495-F552 HydrophobicContact CD1-CD2 4.01Å; F495-F552 AromaticContact CD1-CE2 3.73Å; F495-F552 HydrophobicContact CD1-CE2 3.73Å; F495-F552 HydrophobicContact CD1-CZ 4.03Å; F495-F552 HydrophobicContact CE1-CB 4.21Å; F495-F552 HydrophobicContact CE1-CD1 4.05Å; F495-F552 AromaticContact CE1-CD2 3.46Å; F495-F552 HydrophobicContact CE1-CD2 3.46Å; F495-F552 VanDerWaalsContact CE1-CD2 3.46Å; F495-F552 HydrophobicContact CE1-CE1 4.22Å; F495-F552 AromaticContact CE1-CE2 3.66Å; F495-F552 HydrophobicContact CE1-CE2 3.66Å; F495-F552 AromaticContact CE1-CG 3.66Å; F495-F552 HydrophobicContact CE1-CG 3.66Å; F495-F552 HydrophobicContact CE1-CZ 4.05Å; F495-F552 HydrophobicContact CZ-CD2 4.49Å; F495-P584 HydrophobicContact CD2-CB 3.84Å; F495-P584 HydrophobicContact CD2-CG 4.04Å; F495-P584 HydrophobicContact CE2-CB 4.14Å; F495-P584 HydrophobicContact CG-CB 4.49Å; F495-P646 HydrophobicContact CD2-CB 4.25Å; F495-P646 HydrophobicContact CE2-CB 3.64Å; F495-R647 PolarHBondContact N-O 2.91Å; F495-G649 PolarHBondContact O-N 3Å
496	Q	90.1	Very high	80.6	Confident	42 Å²	42	33.2 Å²	33.2	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164.6	178.1	63.3	-175.9	22.8	0	0	111.6	V515 Q516 V518 Q651	Q496-V515 CarbonylContact O-C 3.34Å; Q496-V515 WeakPolarHBondContact O-CA 3.38Å; Q496-V515 WeakPolarHBondContact O-CG1 3.47Å; Q496-Q516 PolarHBondContact N-O 3.08Å; Q496-Q516 PolarHBondContact O-N 3.35Å; Q496-V518 HydrophobicContact CG-CG2 4.46Å; Q496-Q651 WeakPolarHBondContact CA-O 3.36Å; Q496-Q651 HydrophobicContact CB-CB 4.28Å
497	F	92.3	Very high	80.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.3	167.7	-66	-66.2	0	0	0	111.1	V499 I513 V515 I561 V579 L581 Q651 T652 I654	F497-V499 VanDerWaalsContact C-N 3.33Å; F497-I513 HydrophobicContact CD1-CG2 3.5Å; F497-I513 HydrophobicContact CE1-CG2 3.45Å; F497-I513 VanDerWaalsContact CE1-CG2 3.45Å; F497-V515 HydrophobicContact CD1-CG2 3.92Å; F497-V515 HydrophobicContact CE1-CG2 3.76Å; F497-I561 HydrophobicContact CE1-CD1 4.28Å; F497-V579 HydrophobicContact CE1-CG1 4.41Å; F497-V579 WeakPolarHBondContact CE2-O 3.39Å; F497-V579 HydrophobicContact CZ-CB 4.12Å; F497-V579 HydrophobicContact CZ-CG1 3.89Å; F497-L581 HydrophobicContact CD2-CD1 4.19Å; F497-L581 HydrophobicContact CD2-CG 4.27Å; F497-L581 HydrophobicContact CE1-CD1 4.43Å; F497-L581 HydrophobicContact CE1-CD2 3.89Å; F497-L581 HydrophobicContact CE1-CG 4.15Å; F497-L581 HydrophobicContact CE2-CD1 4Å; F497-L581 HydrophobicContact CE2-CD2 4.15Å; F497-L581 HydrophobicContact CE2-CG 3.58Å; F497-L581 HydrophobicContact CZ-CD1 4.12Å; F497-L581 HydrophobicContact CZ-CD2 3.53Å; F497-L581 HydrophobicContact CZ-CG 3.5Å; F497-Q651 WeakPolarHBondContact CD2-O 3.43Å; F497-Q651 PolarHBondContact N-O 3.02Å; F497-Q651 PolarHBondContact O-OE1 2.98Å; F497-T652 WeakPolarHBondContact CE2-O 3.17Å; F497-I654 HydrophobicContact CB-CB 4.18Å; F497-I654 HydrophobicContact CB-CD1 4.39Å; F497-I654 HydrophobicContact CD1-CB 4.17Å; F497-I654 HydrophobicContact CD1-CD1 4.47Å; F497-I654 HydrophobicContact CD1-CG2 3.86Å; F497-I654 HydrophobicContact CD2-CB 3.65Å; F497-I654 HydrophobicContact CD2-CG2 3.81Å; F497-I654 HydrophobicContact CE1-CG2 3.74Å; F497-I654 HydrophobicContact CE2-CB 4Å; F497-I654 HydrophobicContact CE2-CG2 3.66Å; F497-I654 HydrophobicContact CG-CB 3.73Å; F497-I654 HydrophobicContact CG-CD1 4.45Å; F497-I654 HydrophobicContact CG-CG2 3.89Å; F497-I654 HydrophobicContact CZ-CB 4.42Å; F497-I654 HydrophobicContact CZ-CG2 3.64Å
498	D	85.7	Confident	81.2	Confident	76 Å²	76	36.4 Å²	36.4	41%	0.406	21%	0.212	S	C	.	.	S	Bend	trans	-67.1	-34	175.7	-179.7	38.1	0	0	0	112.2	K514 Q516	D498-K514 HydrophobicContact CB-CB 4.2Å; D498-K514 PolarHBondContact N-O 2.89Å; D498-Q516 HydrophobicContact CB-CG 4.19Å; D498-Q516 PolarHBondContact OD1-NE2 3.3Å
499	V	87.7	Confident	81.8	Confident	56 Å²	56	41.8 Å²	41.8	34%	0.339	24%	0.236	S	C	.	.			trans	-137.4	152.8	-178.4	-61.5	0	0	0	0	111.5	F497 L502 I654	F497-V499 VanDerWaalsContact C-N 3.33Å; V499-L502 HydrophobicContact CG2-CB 4.25Å; V499-I654 HydrophobicContact CG2-CD1 3.87Å; V499-I654 VanDerWaalsContact O-CD1 3.31Å; V499-I654 WeakPolarHBondContact O-CD1 3.47Å; V499-I654 WeakPolarHBondContact O-CG1 3.33Å
500	V	86.8	Confident	82.9	Confident	78 Å²	78	45.3 Å²	45.3	47%	0.473	25%	0.249	S	C	.	.	S	Bend	trans	-75.6	-36.5	175.9	-67.8	0	0	0	0	113.2	Q651 I654 K655	V500-Q651 VanDerWaalsContact CG1-CD 3.44Å; V500-Q651 HydrophobicContact CG1-CG 3.92Å; V500-I654 WeakPolarHBondContact O-CA 3.43Å; V500-K655 PolarHBondContact O-N 3.42Å
501	D	86.7	Confident	84.1	Confident	91 Å²	91	43.7 Å²	43.7	49%	0.487	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.2	-176.2	-73.7	-17.1	0	0	0	108	K655	D501-K655 CarbonylContact C-O 3.57Å; D501-K655 VanDerWaalsContact CA-O 3.31Å; D501-K655 WeakPolarHBondContact CA-O 3.5Å; D501-K655 VanDerWaalsContact OD1-CB 3.24Å; D501-K655 WeakPolarHBondContact OD1-CB 3.35Å; D501-K655 WeakPolarHBondContact OD1-CD 3.41Å
502	L	90.5	Very high	85	Confident	41 Å²	41	47.6 Å²	47.6	22%	0.215	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124	173.2	-179.6	66	0	0	0	108.9	V499 V504 I513 I654 K655 I656 T657	V499-L502 HydrophobicContact CG2-CB 4.25Å; L502-V504 HydrophobicContact CD2-CG1 3.94Å; L502-V504 HydrophobicContact CG-CG1 3.89Å; L502-I513 HydrophobicContact CD2-CG1 3.99Å; L502-I654 HydrophobicContact CB-CD1 3.87Å; L502-I654 HydrophobicContact CB-CG1 4.45Å; L502-K655 PolarHBondContact N-O 3.17Å; L502-I656 HydrophobicContact CB-CG1 4.36Å; L502-I656 CarbonylContact O-C 3.58Å; L502-I656 VanDerWaalsContact O-CA 3.32Å; L502-I656 WeakPolarHBondContact O-CA 3.24Å; L502-T657 PolarHBondContact O-N 3.44Å
503	T	85.8	Confident	86.2	Confident	91 Å²	91	47 Å²	47	56%	0.558	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.2	173.7	-60.3	0	0	0	0	109.5	T657 T659	T503-T657 WeakPolarHBondContact CA-O 3.31Å; T503-T659 HydrophobicContact CG2-CG2 3.38Å; T503-T659 WeakPolarHBondContact CG2-OG1 3.32Å
504	V	87.6	Confident	86.8	Confident	15 Å²	15	51.3 Å²	51.3	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.9	177.9	-61.7	0	0	0	0	110.3	L502 A511 V565 I656 T657 I658 T659	L502-V504 HydrophobicContact CD2-CG1 3.94Å; L502-V504 HydrophobicContact CG-CG1 3.89Å; V504-A511 HydrophobicContact CG1-CB 4.07Å; V504-A511 HydrophobicContact CG2-CB 4.44Å; V504-V565 HydrophobicContact CG2-CG2 4.46Å; V504-I656 HydrophobicContact CG1-CG2 4.33Å; V504-I656 HydrophobicContact CG2-CG2 3.73Å; V504-T657 PolarHBondContact N-O 3.19Å; V504-I658 HydrophobicContact CG2-CG1 4.24Å; V504-T659 PolarHBondContact O-N 2.93Å; V504-T659 PolarHBondContact O-OG1 3.03Å
505	S	81.8	Confident	87.2	Confident	29 Å²	29	50.8 Å²	50.8	20%	0.203	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.7	170.2	179	0	0	0	0	109	S507 C508 T659 S661	S505-S507 PolarHBondContact O-N 2.78Å; S505-S507 VanDerWaalsContact O-N 3.16Å; S505-S507 PolarHBondContact OG-N 2.95Å; S505-S507 PolarHBondContact OG-OG 3.07Å; S505-C508 WeakPolarHBondContact O-CB 3.44Å; S505-C508 PolarHBondContact O-N 3.31Å; S505-C508 PolarHBondContact O-SG 3.42Å; S505-T659 CarbonylContact C-O 3.5Å; S505-T659 WeakPolarHBondContact CA-O 3.41Å; S505-S661 VanDerWaalsContact OG-CA 3.28Å; S505-S661 WeakPolarHBondContact OG-CA 3.22Å
506	E	80.4	Confident	87.2	Confident	30 Å²	30	53.8 Å²	53.8	14%	0.14	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.2	169.8	-154	-168.2	154.7	0	0	112.4	C508 D568 N569 I658 T659	E506-C508 PolarHBondContact O-N 3.08Å; E506-D568 PolarHBondContact OE1-N 2.77Å; E506-N569 PolarHBondContact OE1-N 2.96Å; E506-I658 HydrophobicContact CB-CG2 3.93Å; E506-I658 HydrophobicContact CG-CG2 3.92Å; E506-T659 PolarHBondContact N-O 3.43Å
507	S	75.6	Confident	87	Confident	72 Å²	72	52 Å²	52	50%	0.503	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.1	175.7	72	0	0	0	0	114.3	S505	S505-S507 PolarHBondContact O-N 2.78Å; S505-S507 VanDerWaalsContact O-N 3.16Å; S505-S507 PolarHBondContact OG-N 2.95Å; S505-S507 PolarHBondContact OG-OG 3.07Å
508	C	80.2	Confident	86.5	Confident	33 Å²	33	53.5 Å²	53.5	22%	0.223	28%	0.284	C	S	.	.			trans	-77.7	125	173.7	79.8	0	0	0	0	108.6	S505 E506 Y510	S505-C508 WeakPolarHBondContact O-CB 3.44Å; S505-C508 PolarHBondContact O-N 3.31Å; S505-C508 PolarHBondContact O-SG 3.42Å; E506-C508 PolarHBondContact O-N 3.08Å; C508-Y510 PolarHBondContact O-N 3.03Å
509	E	83.3	Confident	86.1	Confident	120 Å²	120	51 Å²	51	56%	0.561	27%	0.273	S	S	*	.	S	Bend	trans	-65.7	-31.3	177.7	-168.5	179.6	-170.6	0	0	111.2	R564 V565	E509-R564 WeakPolarHBondContact O-CA 2.99Å; E509-R564 WeakPolarHBondContact O-CG 3.44Å; E509-V565 PolarHBondContact O-N 3.26Å; E509-V565 VanDerWaalsContact O-N 3.15Å
510	Y	89.8	Confident	85.3	Confident	103 Å²	103	48.6 Å²	48.6	40%	0.404	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.8	179.5	-62.9	-82.3	0	0	0	111.2	C508 E512 R562 I563 R564	C508-Y510 PolarHBondContact O-N 3.03Å; Y510-E512 PolarHBondContact O-N 3.46Å; Y510-R562 HydrophobicContact CD1-CB 4.21Å; Y510-I563 CarbonylContact C-O 3.41Å; Y510-I563 VanDerWaalsContact CA-O 3.31Å; Y510-I563 WeakPolarHBondContact CA-O 3.32Å; Y510-R564 HydrophobicContact CD1-CB 4.12Å; Y510-R564 HydrophobicContact CD1-CG 4.37Å; Y510-R564 HydrophobicContact CE1-CB 3.93Å; Y510-R564 HydrophobicContact CE1-CG 4.01Å
511	A	90.2	Very high	84.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	110.1	161.3	0	0	0	0	0	108.6	V504 I513 I563 V565 I656	V504-A511 HydrophobicContact CG1-CB 4.07Å; V504-A511 HydrophobicContact CG2-CB 4.44Å; A511-I513 HydrophobicContact CB-CD1 4.36Å; A511-I513 PolarHBondContact O-N 3.4Å; A511-I563 PolarHBondContact N-O 3.3Å; A511-I563 PolarHBondContact O-N 2.7Å; A511-I563 VanDerWaalsContact O-N 3.08Å; A511-V565 HydrophobicContact CB-CG2 3.82Å; A511-I656 HydrophobicContact CB-CG2 4.44Å
512	E	91	Very high	84.2	Confident	98 Å²	98	47.8 Å²	47.8	46%	0.458	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.4	174.4	-62.5	-157.4	140.8	0	0	110	Y510 T560 R562	Y510-E512 PolarHBondContact O-N 3.46Å; E512-T560 HydrophobicContact CB-CG2 3.83Å; E512-T560 HydrophobicContact CG-CG2 4.33Å; E512-R562 HydrophobicContact CG-CG 4.31Å; E512-R562 IonicContact OE1-CZ 2.84Å; E512-R562 IonicContact OE1-NE 3.84Å; E512-R562 PolarHBondContact OE1-NE 2.89Å; E512-R562 IonicContact OE1-NH2 3.39Å; E512-R562 PolarHBondContact OE1-NH2 3.25Å
513	I	92.5	Very high	83.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.5	-179.6	-58.9	123.7	0	0	0	108.6	F497 L502 A511 T560 I561 I563 V579 I654 I656	F497-I513 HydrophobicContact CD1-CG2 3.5Å; F497-I513 HydrophobicContact CE1-CG2 3.45Å; F497-I513 VanDerWaalsContact CE1-CG2 3.45Å; L502-I513 HydrophobicContact CD2-CG1 3.99Å; A511-I513 HydrophobicContact CB-CD1 4.36Å; A511-I513 PolarHBondContact O-N 3.4Å; I513-T560 WeakPolarHBondContact O-CA 3.45Å; I513-I561 HydrophobicContact CB-CB 4.29Å; I513-I561 HydrophobicContact CD1-CG2 4.38Å; I513-I561 PolarHBondContact N-O 3.37Å; I513-I561 PolarHBondContact O-N 3.42Å; I513-I563 HydrophobicContact CD1-CB 4.38Å; I513-I563 HydrophobicContact CD1-CD1 3.58Å; I513-I563 HydrophobicContact CD1-CG1 3.97Å; I513-V579 HydrophobicContact CD1-CG2 4.1Å; I513-I654 HydrophobicContact CG2-CD1 3.95Å; I513-I654 HydrophobicContact CG2-CG2 4.01Å; I513-I656 HydrophobicContact CD1-CD1 3.52Å; I513-I656 HydrophobicContact CG1-CD1 3.72Å; I513-I656 HydrophobicContact CG1-CG1 4.27Å
514	K	91.8	Very high	83.6	Confident	92 Å²	92	44 Å²	44	40%	0.4	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.9	175.9	-68.6	-168.5	168.1	-144	0	111.1	D498 E558	D498-K514 HydrophobicContact CB-CB 4.2Å; D498-K514 PolarHBondContact N-O 2.89Å; K514-E558 IonicContact NZ-OE2 2.66Å; K514-E558 PolarHBondContact NZ-OE2 3.35Å
515	V	92.3	Very high	83.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.3	169	-176.6	0	0	0	0	107.3	Q496 F497 L527 F552 G559 I561 L581	Q496-V515 CarbonylContact O-C 3.34Å; Q496-V515 WeakPolarHBondContact O-CA 3.38Å; Q496-V515 WeakPolarHBondContact O-CG1 3.47Å; F497-V515 HydrophobicContact CD1-CG2 3.92Å; F497-V515 HydrophobicContact CE1-CG2 3.76Å; V515-L527 HydrophobicContact CG1-CD2 3.6Å; V515-F552 HydrophobicContact CB-CZ 4.1Å; V515-F552 HydrophobicContact CG1-CE2 4.33Å; V515-F552 HydrophobicContact CG1-CZ 3.95Å; V515-G559 PolarHBondContact N-O 3.28Å; V515-G559 PolarHBondContact O-N 3.16Å; V515-I561 HydrophobicContact CG2-CD1 3.66Å; V515-I561 HydrophobicContact CG2-CG1 4.14Å; V515-L581 HydrophobicContact CG1-CD1 4.12Å; V515-L581 HydrophobicContact CG2-CD2 4.13Å
516	Q	88.8	Confident	84	Confident	62 Å²	62	46.4 Å²	46.4	29%	0.29	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.2	175.5	-72	178.5	-18.2	0	0	110.4	F495 Q496 D498 V518	F495-Q516 WeakPolarHBondContact CA-O 3.36Å; Q496-Q516 PolarHBondContact N-O 3.08Å; Q496-Q516 PolarHBondContact O-N 3.35Å; D498-Q516 HydrophobicContact CB-CG 4.19Å; D498-Q516 PolarHBondContact OD1-NE2 3.3Å; Q516-V518 HydrophobicContact CB-CG1 4.01Å
517	R	87	Confident	84.6	Confident	6 Å²	6	45 Å²	45	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	104.5	164.8	-178.6	-170.4	-166.2	173.9	1.2	106.5	S492 V494 F495 C521 R522 G523 F552 Q553 Q556 T557	S492-R517 PolarHBondContact O-NE 2.91Å; S492-R517 PolarHBondContact O-NH2 3.4Å; V494-R517 CarbonylContact O-C 3.48Å; V494-R517 WeakPolarHBondContact O-CA 3.23Å; F495-R517 HydrophobicContact CD1-CB 4.06Å; F495-R517 HydrophobicContact CD1-CG 4.25Å; F495-R517 HydrophobicContact CE1-CB 3.73Å; F495-R517 HydrophobicContact CE1-CG 3.64Å; F495-R517 HydrophobicContact CE2-CG 4.19Å; F495-R517 HydrophobicContact CZ-CB 4.24Å; F495-R517 HydrophobicContact CZ-CG 3.61Å; R517-C521 VanDerWaalsContact CZ-O 3.28Å; R517-C521 PolarHBondContact NH1-O 3.32Å; R517-C521 VanDerWaalsContact NH1-O 3.11Å; R517-C521 PolarHBondContact NH2-O 3.33Å; R517-R522 VanDerWaalsContact NH2-C 3.26Å; R517-R522 PolarHBondContact NH2-O 3.43Å; R517-G523 PolarHBondContact NH1-O 3.34Å; R517-G523 VanDerWaalsContact NH1-O 3.1Å; R517-G523 PolarHBondContact NH2-O 3.27Å; R517-F552 HydrophobicContact CB-CD1 4.19Å; R517-F552 HydrophobicContact CB-CE1 4.02Å; R517-Q553 PolarHBondContact NH1-O 2.87Å; R517-Q553 VanDerWaalsContact NH1-O 3.1Å; R517-Q556 WeakPolarHBondContact CD-O 2.99Å; R517-Q556 PolarHBondContact NH1-O 2.8Å; R517-T557 WeakPolarHBondContact CB-O 3.18Å; R517-T557 PolarHBondContact N-O 3.01Å
518	V	81.5	Confident	85.4	Confident	30 Å²	30	42.7 Å²	42.7	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	163.1	-177.1	-60.5	0	0	0	0	111	V494 Q496 Q516	V494-V518 WeakPolarHBondContact CA-O 3.49Å; V494-V518 HydrophobicContact CB-CG2 3.9Å; V494-V518 WeakPolarHBondContact CB-O 3.15Å; V494-V518 HydrophobicContact CG1-CG2 4.29Å; V494-V518 PolarHBondContact N-O 3.37Å; V494-V518 PolarHBondContact O-N 3Å; Q496-V518 HydrophobicContact CG-CG2 4.46Å; Q516-V518 HydrophobicContact CB-CG1 4.01Å
519	S	77	Confident	86.1	Confident	25 Å²	25	42.3 Å²	42.3	18%	0.175	20%	0.196	C	C	.	.	S	Bend	trans	53.3	69	-173.5	-49.8	0	0	0	0	110	H491 G493	H491-S519 WeakPolarHBondContact CB-O 3.49Å; H491-S519 PolarHBondContact CD2-O 2.98Å; H491-S519 VanDerWaalsContact CG-O 3.3Å; G493-S519 WeakPolarHBondContact CA-O 3.24Å
520	G	70.5	Confident	86.5	Confident	4 Å²	4	39.2 Å²	39.2	4%	0.041	18%	0.182	C	C	.	.			trans	91.3	148.8	176	0	0	0	0	0	118	D488 H491 G493	D488-G520 WeakPolarHBondContact O-CA 3.48Å; D488-G520 PolarHBondContact O-N 3.29Å; D488-G520 VanDerWaalsContact O-N 3.13Å; H491-G520 CarbonylContact O-C 2.97Å; H491-G520 WeakPolarHBondContact O-CA 3.41Å; G493-G520 WeakPolarHBondContact CA-O 3.33Å; G493-G520 PolarHBondContact N-O 3.32Å
521	C	77.8	Confident	86.7	Confident	1 Å²	1	35 Å²	35	1%	0.007	17%	0.167	C	C	.	.			trans	-129.7	18.7	-174.4	56.2	0	0	0	0	114.7	M384 H491 R517 D555 T557	M384-C521 WeakPolarHBondContact CE-SG 3.44Å; H491-C521 PolarHBondContact O-N 3.48Å; R517-C521 VanDerWaalsContact CZ-O 3.28Å; R517-C521 PolarHBondContact NH1-O 3.32Å; R517-C521 VanDerWaalsContact NH1-O 3.11Å; R517-C521 PolarHBondContact NH2-O 3.33Å; C521-D555 PolarHBondContact O-N 2.95Å; C521-T557 HydrophobicContact CB-CG2 3.96Å
522	R	73.6	Confident	86.9	Confident	152 Å²	152	37.2 Å²	37.2	57%	0.574	18%	0.18	S	C	*	.			trans	-77.6	127.8	-172.9	-165.3	172.7	-176.8	147.1	3.2	113.5	H491 S492 R517	H491-R522 WeakPolarHBondContact O-CB 3.38Å; H491-R522 PolarHBondContact O-N 3.14Å; S492-R522 WeakPolarHBondContact CA-O 2.97Å; S492-R522 WeakPolarHBondContact CB-O 3.46Å; R517-R522 VanDerWaalsContact NH2-C 3.26Å; R517-R522 PolarHBondContact NH2-O 3.43Å
523	G	77.5	Confident	86.9	Confident	19 Å²	19	36.6 Å²	36.6	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	86.9	168	176.4	0	0	0	0	0	115	R517 N554	R517-G523 PolarHBondContact NH1-O 3.34Å; R517-G523 VanDerWaalsContact NH1-O 3.1Å; R517-G523 PolarHBondContact NH2-O 3.27Å; G523-N554 WeakPolarHBondContact CA-OD1 3.39Å; G523-N554 PolarHBondContact N-OD1 3.43Å
524	V	85.4	Confident	86.7	Confident	34 Å²	34	37.7 Å²	37.7	21%	0.206	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126	178.4	-177.5	0	0	0	0	109.5	E551 F552 I587	V524-E551 HydrophobicContact CG1-CG 3.95Å; V524-F552 CarbonylContact C-O 3.56Å; V524-F552 VanDerWaalsContact CA-O 3.27Å; V524-F552 WeakPolarHBondContact CA-O 3.49Å; V524-F552 WeakPolarHBondContact CG1-O 3.31Å; V524-I587 HydrophobicContact CB-CB 4.38Å; V524-I587 HydrophobicContact CG1-CB 4.4Å; V524-I587 HydrophobicContact CG1-CD1 4.19Å; V524-I587 PolarHBondContact O-N 3.05Å
525	V	87.2	Confident	86.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.7	-176.1	-178.5	0	0	0	0	110.7	F495 E551 F552 P584 V585 L586 P646	F495-V525 HydrophobicContact CD2-CG1 4.46Å; F495-V525 HydrophobicContact CE1-CB 4.38Å; F495-V525 HydrophobicContact CE1-CG1 4.29Å; F495-V525 HydrophobicContact CE2-CB 4.11Å; F495-V525 HydrophobicContact CE2-CG1 3.65Å; F495-V525 HydrophobicContact CE2-CG2 4.13Å; F495-V525 HydrophobicContact CZ-CB 3.58Å; F495-V525 HydrophobicContact CZ-CG1 3.52Å; F495-V525 HydrophobicContact CZ-CG2 3.83Å; V525-E551 WeakPolarHBondContact O-CA 3.09Å; V525-F552 PolarHBondContact N-O 3.45Å; V525-F552 PolarHBondContact O-N 2.95Å; V525-P584 HydrophobicContact CG1-CB 3.61Å; V525-V585 WeakPolarHBondContact CA-O 3.29Å; V525-L586 HydrophobicContact CG2-CD1 3.84Å; V525-P646 HydrophobicContact CG1-CB 4.07Å; V525-P646 HydrophobicContact CG1-CG 4.2Å; V525-P646 HydrophobicContact CG2-CB 4.01Å; V525-P646 HydrophobicContact CG2-CG 4.12Å
526	R	90.5	Very high	86.3	Confident	94 Å²	94	36.4 Å²	36.4	36%	0.355	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.4	166.8	-84.3	179.7	-167.7	165.8	5.8	110.7	Y549 I550 E551 V585 I587	R526-Y549 HydrophobicContact CB-CD2 4.34Å; R526-Y549 HydrophobicContact CG-CD2 3.73Å; R526-Y549 HydrophobicContact CG-CE2 4.05Å; R526-I550 WeakPolarHBondContact CA-O 3.46Å; R526-E551 HydrophobicContact CG-CB 4.14Å; R526-E551 HydrophobicContact CG-CG 4.04Å; R526-E551 IonicContact CZ-OE2 3.31Å; R526-E551 VanDerWaalsContact CZ-OE2 3.31Å; R526-E551 IonicContact NE-OE2 2.8Å; R526-E551 PolarHBondContact NE-OE2 3.42Å; R526-E551 IonicContact NH2-OE2 2.91Å; R526-E551 PolarHBondContact NH2-OE2 2.6Å; R526-V585 PolarHBondContact N-O 3.21Å; R526-V585 PolarHBondContact O-N 3.29Å; R526-I587 HydrophobicContact CB-CD1 4.34Å; R526-I587 HydrophobicContact CG-CD1 3.63Å
527	L	92.3	Very high	86.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.9	-179.8	-179.1	74	0	0	0	110	F495 V515 Y549 I550 F552 L581 G582 P584 L648	F495-L527 HydrophobicContact CB-CD1 3.9Å; F495-L527 HydrophobicContact CB-CD2 3.89Å; F495-L527 HydrophobicContact CD1-CD2 3.94Å; F495-L527 HydrophobicContact CG-CD1 4.2Å; F495-L527 HydrophobicContact CG-CD2 4.18Å; V515-L527 HydrophobicContact CG1-CD2 3.6Å; L527-Y549 CarbonylContact O-C 3.56Å; L527-Y549 WeakPolarHBondContact O-CA 3.15Å; L527-I550 HydrophobicContact CB-CG2 3.72Å; L527-I550 HydrophobicContact CD2-CG2 3.96Å; L527-I550 HydrophobicContact CG-CG2 4.26Å; L527-I550 PolarHBondContact N-O 2.88Å; L527-I550 PolarHBondContact O-N 2.76Å; L527-F552 HydrophobicContact CD2-CE2 4.17Å; L527-L581 HydrophobicContact CD1-CB 4.48Å; L527-L581 HydrophobicContact CD2-CD1 4.13Å; L527-L581 HydrophobicContact CD2-CD2 3.77Å; L527-L581 HydrophobicContact CD2-CG 4.4Å; L527-L581 HydrophobicContact CG-CD2 4.24Å; L527-G582 VanDerWaalsContact CD1-O 3.25Å; L527-G582 WeakPolarHBondContact CD1-O 3.36Å; L527-P584 HydrophobicContact CD1-CB 3.92Å; L527-L648 HydrophobicContact CD1-CD2 3.95Å
528	P	93.1	Very high	86.2	Confident	24 Å²	24	37.7 Å²	37.7	16%	0.156	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	148.9	176	-11.7	26.2	0	0	0	111.5	G548 G582 E583 F600	P528-G548 CarbonylContact C-O 3.46Å; P528-G548 WeakPolarHBondContact CA-O 3.15Å; P528-G582 PolarHBondContact O-N 3.42Å; P528-E583 WeakPolarHBondContact CD-O 3.12Å; P528-F600 HydrophobicContact CG-CD1 4.49Å; P528-F600 HydrophobicContact CG-CE1 4.05Å
529	Y	94.5	Very high	86.4	Confident	24 Å²	24	39.6 Å²	39.6	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.6	170.8	66.8	-92.6	0	0	0	112.2	M546 G548 I550 I561 Q580	Y529-M546 HydrophobicContact CE2-CB 4.46Å; Y529-M546 HydrophobicContact CE2-CG 3.93Å; Y529-M546 HydrophobicContact CE2-SD 3.78Å; Y529-M546 VanDerWaalsContact OH-CE 3.23Å; Y529-M546 WeakPolarHBondContact OH-CE 3.41Å; Y529-M546 PolarHBondContact OH-SD 3.43Å; Y529-M546 VanDerWaalsContact OH-SD 3.37Å; Y529-G548 PolarHBondContact N-O 3.26Å; Y529-G548 PolarHBondContact O-N 2.89Å; Y529-I550 HydrophobicContact CE1-CB 4.5Å; Y529-I561 HydrophobicContact CD1-CD1 3.72Å; Y529-I561 HydrophobicContact CD1-CG1 3.96Å; Y529-I561 HydrophobicContact CD2-CD1 4.03Å; Y529-I561 HydrophobicContact CD2-CG1 4.45Å; Y529-I561 HydrophobicContact CD2-CG2 3.9Å; Y529-I561 HydrophobicContact CE1-CD1 4.27Å; Y529-I561 HydrophobicContact CE1-CG1 4Å; Y529-I561 HydrophobicContact CE1-CG2 4.4Å; Y529-I561 HydrophobicContact CE2-CG2 3.55Å; Y529-I561 HydrophobicContact CG-CD1 3.58Å; Y529-I561 HydrophobicContact CG-CG1 4.19Å; Y529-I561 HydrophobicContact CG-CG2 4.48Å; Y529-Q580 CarbonylContact C-O 3.57Å; Y529-Q580 VanDerWaalsContact CA-O 3.27Å; Y529-Q580 WeakPolarHBondContact CA-O 3.49Å
530	Q	92.9	Very high	86.6	Confident	56 Å²	56	39.8 Å²	39.8	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.7	175.5	66.1	-178.2	15	0	0	112.4	M546 V547 V579 Q580	Q530-M546 WeakPolarHBondContact CA-O 3.24Å; Q530-V547 HydrophobicContact CB-CG1 4.5Å; Q530-V547 HydrophobicContact CB-CG2 4.12Å; Q530-V579 WeakPolarHBondContact O-CA 3.33Å; Q530-Q580 HydrophobicContact CG-CB 4.34Å; Q530-Q580 PolarHBondContact N-O 2.91Å; Q530-Q580 PolarHBondContact O-N 3.2Å
531	T	94.1	Very high	87.3	Confident	15 Å²	15	44.8 Å²	44.8	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.9	168.7	54.5	0	0	0	0	111.8	F543 D545 M546 I563 Y578 V579	T531-F543 HydrophobicContact CG2-CE2 4.25Å; T531-D545 WeakPolarHBondContact OG1-CA 3.18Å; T531-D545 PolarHBondContact OG1-OD1 2.91Å; T531-M546 HydrophobicContact CG2-CB 4.11Å; T531-M546 PolarHBondContact N-O 3.35Å; T531-M546 PolarHBondContact OG1-N 3.41Å; T531-M546 PolarHBondContact OG1-O 3.34Å; T531-I563 HydrophobicContact CG2-CD1 3.49Å; T531-I563 VanDerWaalsContact CG2-CD1 3.49Å; T531-I563 HydrophobicContact CG2-CG1 4.25Å; T531-I563 HydrophobicContact CG2-CG2 4.5Å; T531-Y578 CarbonylContact C-O 3.47Å; T531-Y578 WeakPolarHBondContact CA-O 3.28Å; T531-V579 HydrophobicContact CG2-CG2 4.38Å
532	V	92.9	Very high	87.7	Confident	45 Å²	45	45 Å²	45	27%	0.273	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.8	176.3	-178.4	0	0	0	0	108.9	Y578	V532-Y578 PolarHBondContact N-O 3.07Å; V532-Y578 PolarHBondContact O-N 3.14Å
533	E	91.3	Very high	88.5	Confident	86 Å²	86	37.7 Å²	37.7	40%	0.402	22%	0.221	S	C	.	.			trans	-58.2	143.4	177.8	-62.8	-163.6	156.9	0	0	112.4	K537 G538 F543	E533-K537 WeakPolarHBondContact OE2-CD 3.38Å; E533-K537 IonicContact OE2-NZ 2.62Å; E533-K537 PolarHBondContact OE2-NZ 3.48Å; E533-G538 PolarHBondContact OE1-N 3.42Å; E533-F543 HydrophobicContact CG-CZ 4.36Å
534	G	89.3	Confident	89.1	Confident	23 Å²	23	40.7 Å²	40.7	24%	0.237	23%	0.23	C	C	.	.	S	Bend	trans	-119.1	-121.5	169.6	0	0	0	0	0	110.2	A536 Y576	G534-A536 PolarHBondContact N-O 3.21Å; G534-Y576 CarbonylContact C-O 3.58Å; G534-Y576 WeakPolarHBondContact CA-O 3.12Å
535	T	86.9	Confident	89.4	Confident	65 Å²	65	43.2 Å²	43.2	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-76.4	-34	164.1	59.5	0	0	0	0	111	E575 Y576	T535-E575 WeakPolarHBondContact OG1-CA 3.26Å; T535-Y576 HydrophobicContact CG2-CD1 4.23Å; T535-Y576 HydrophobicContact CG2-CE1 3.59Å; T535-Y576 PolarHBondContact N-O 2.91Å; T535-Y576 PolarHBondContact OG1-N 3.2Å
536	A	87.5	Confident	89.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-72.2	141	169.6	0	0	0	0	0	110.1	G534 D542 F543 E575 Y576 F577 I658	G534-A536 PolarHBondContact N-O 3.21Å; A536-D542 HydrophobicContact CB-CB 4.03Å; A536-F543 HydrophobicContact CB-CD1 4.22Å; A536-F543 HydrophobicContact CB-CE1 4.23Å; A536-E575 HydrophobicContact CB-CB 3.87Å; A536-Y576 WeakPolarHBondContact CB-O 3.34Å; A536-Y576 PolarHBondContact N-O 3.41Å; A536-F577 HydrophobicContact CB-CB 4.23Å; A536-F577 HydrophobicContact CB-CD1 4.42Å; A536-I658 HydrophobicContact CB-CD1 4.31Å
537	K	88.1	Confident	89.5	Confident	87 Å²	87	47.3 Å²	47.3	38%	0.378	27%	0.274	S	S	.	.			trans	-104.5	137.7	-175.4	-63.6	-54.1	-171.8	-173.6	0	112.2	E533 K541 D542 F543	E533-K537 WeakPolarHBondContact OE2-CD 3.38Å; E533-K537 IonicContact OE2-NZ 2.62Å; E533-K537 PolarHBondContact OE2-NZ 3.48Å; K537-K541 HydrophobicContact CB-CB 4.34Å; K537-K541 HydrophobicContact CB-CD 4.08Å; K537-D542 WeakPolarHBondContact CA-OD2 3.44Å; K537-D542 VanDerWaalsContact CB-OD2 3.32Å; K537-D542 WeakPolarHBondContact CB-OD2 3.28Å; K537-D542 PolarHBondContact N-OD2 3.16Å; K537-D542 WeakPolarHBondContact O-CB 3.18Å; K537-D542 PolarHBondContact O-N 3.13Å; K537-F543 VanDerWaalsContact C-CE1 3.48Å; K537-F543 PolarHBondContact O-N 3.2Å
538	G	87.3	Confident	89.5	Confident	8 Å²	8	48.5 Å²	48.5	8%	0.082	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-161.9	175.4	0	0	0	0	0	112.2	E533 G540 K541 F543 D545	E533-G538 PolarHBondContact OE1-N 3.42Å; G538-G540 VanDerWaalsContact C-N 3.3Å; G538-G540 PolarHBondContact O-N 3.08Å; G538-K541 PolarHBondContact O-N 3.17Å; G538-F543 CarbonylContact C-O 3.56Å; G538-D545 WeakPolarHBondContact CA-OD2 3.27Å
539	G	84.1	Confident	89.3	Confident	70 Å²	70	53 Å²	53	72%	0.722	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	16.8	178.1	0	0	0	0	0	114.9	D545	G539-D545 PolarHBondContact N-OD2 3.29Å
540	G	83.1	Confident	89.2	Confident	29 Å²	29	52.9 Å²	52.9	30%	0.299	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	18.7	-176.3	0	0	0	0	0	113.6	G538 F543	G538-G540 VanDerWaalsContact C-N 3.3Å; G538-G540 PolarHBondContact O-N 3.08Å; G540-F543 WeakPolarHBondContact CA-O 3.47Å; G540-F543 PolarHBondContact N-O 2.9Å
541	K	84.2	Confident	89.1	Confident	108 Å²	108	53.2 Å²	53.2	47%	0.47	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-64.2	172.2	-169.8	-178.1	157.3	-76.9	0	110.5	K537 G538 M566	K537-K541 HydrophobicContact CB-CB 4.34Å; K537-K541 HydrophobicContact CB-CD 4.08Å; G538-K541 PolarHBondContact O-N 3.17Å; K541-M566 WeakPolarHBondContact O-CB 3.41Å
542	D	85.7	Confident	88.9	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.027	30%	0.299	C	S	.	.	S	Bend	trans	-109.7	-30	178.8	-45.4	-35.4	0	0	0	110	A536 K537 M566	A536-D542 HydrophobicContact CB-CB 4.03Å; K537-D542 WeakPolarHBondContact CA-OD2 3.44Å; K537-D542 VanDerWaalsContact CB-OD2 3.32Å; K537-D542 WeakPolarHBondContact CB-OD2 3.28Å; K537-D542 PolarHBondContact N-OD2 3.16Å; K537-D542 WeakPolarHBondContact O-CB 3.18Å; K537-D542 PolarHBondContact O-N 3.13Å; D542-M566 PolarHBondContact O-N 3.22Å
543	F	90.8	Very high	88.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-149.6	162.3	169.9	66.6	-82.6	0	0	0	111.9	T531 E533 A536 K537 G538 G540 D545 I563 R564 F577	T531-F543 HydrophobicContact CG2-CE2 4.25Å; E533-F543 HydrophobicContact CG-CZ 4.36Å; A536-F543 HydrophobicContact CB-CD1 4.22Å; A536-F543 HydrophobicContact CB-CE1 4.23Å; K537-F543 VanDerWaalsContact C-CE1 3.48Å; K537-F543 PolarHBondContact O-N 3.2Å; G538-F543 CarbonylContact C-O 3.56Å; G540-F543 WeakPolarHBondContact CA-O 3.47Å; G540-F543 PolarHBondContact N-O 2.9Å; F543-D545 WeakPolarHBondContact CE2-OD1 3.38Å; F543-I563 HydrophobicContact CB-CG2 4.37Å; F543-I563 HydrophobicContact CD2-CG2 4.34Å; F543-R564 WeakPolarHBondContact CA-O 3.42Å; F543-F577 HydrophobicContact CB-CE1 4.28Å; F543-F577 HydrophobicContact CB-CZ 4.43Å; F543-F577 HydrophobicContact CD1-CB 3.95Å; F543-F577 AromaticContact CD1-CD1 3.77Å; F543-F577 HydrophobicContact CD1-CD1 3.77Å; F543-F577 HydrophobicContact CD1-CD2 4.31Å; F543-F577 HydrophobicContact CD1-CE1 4.32Å; F543-F577 AromaticContact CD1-CG 3.76Å; F543-F577 HydrophobicContact CD1-CG 3.76Å; F543-F577 HydrophobicContact CD2-CD2 4.18Å; F543-F577 HydrophobicContact CD2-CE2 4.29Å; F543-F577 HydrophobicContact CD2-CG 4.44Å; F543-F577 HydrophobicContact CE1-CB 3.43Å; F543-F577 VanDerWaalsContact CE1-CB 3.43Å; F543-F577 HydrophobicContact CE1-CD1 4.17Å; F543-F577 HydrophobicContact CE1-CD2 4.26Å; F543-F577 AromaticContact CE1-CG 3.73Å; F543-F577 HydrophobicContact CE1-CG 3.73Å; F543-F577 HydrophobicContact CE2-CD2 4.15Å; F543-F577 HydrophobicContact CE2-CG 4.43Å; F543-F577 HydrophobicContact CG-CD1 4.13Å; F543-F577 HydrophobicContact CG-CD2 4.28Å; F543-F577 HydrophobicContact CG-CE1 4.26Å; F543-F577 HydrophobicContact CG-CE2 4.4Å; F543-F577 HydrophobicContact CG-CG 4.14Å; F543-F577 HydrophobicContact CG-CZ 4.39Å; F543-F577 HydrophobicContact CZ-CB 3.81Å; F543-F577 HydrophobicContact CZ-CD2 4.19Å; F543-F577 HydrophobicContact CZ-CG 4.08Å
544	E	90.6	Very high	88.1	Confident	81 Å²	81	54.4 Å²	54.4	38%	0.379	31%	0.307	S	S	.	.			trans	-84.8	124.8	170.9	-73.2	-177.7	-177.1	0	0	111	M546 R564	E544-M546 PolarHBondContact O-N 2.81Å; E544-R564 HydrophobicContact CB-CB 4.26Å; E544-R564 VanDerWaalsContact CD-CD 3.43Å; E544-R564 HydrophobicContact CG-CB 4.25Å; E544-R564 PolarHBondContact N-O 2.86Å; E544-R564 VanDerWaalsContact N-O 3.1Å; E544-R564 VanDerWaalsContact OE1-CD 3.22Å; E544-R564 WeakPolarHBondContact OE1-CD 3.47Å; E544-R564 IonicContact OE1-CZ 3.18Å; E544-R564 IonicContact OE1-NE 3.42Å; E544-R564 IonicContact OE1-NH1 2.74Å; E544-R564 PolarHBondContact OE1-NH1 3.31Å
545	D	90.4	Very high	87.6	Confident	87 Å²	87	58.2 Å²	58.2	47%	0.465	32%	0.322	S	S	.	.			trans	-63.1	133.2	175.3	-69	-62	0	0	0	111.5	T531 G538 G539 F543	T531-D545 WeakPolarHBondContact OG1-CA 3.18Å; T531-D545 PolarHBondContact OG1-OD1 2.91Å; G538-D545 WeakPolarHBondContact CA-OD2 3.27Å; G539-D545 PolarHBondContact N-OD2 3.29Å; F543-D545 WeakPolarHBondContact CE2-OD1 3.38Å
546	M	89.2	Confident	87.4	Confident	70 Å²	70	58.1 Å²	58.1	35%	0.345	32%	0.317	S	S	.	.			trans	-133.4	130.5	-177.1	-161.5	178.4	-161.2	0	0	111.1	Y529 Q530 T531 E544 I563	Y529-M546 HydrophobicContact CE2-CB 4.46Å; Y529-M546 HydrophobicContact CE2-CG 3.93Å; Y529-M546 HydrophobicContact CE2-SD 3.78Å; Y529-M546 VanDerWaalsContact OH-CE 3.23Å; Y529-M546 WeakPolarHBondContact OH-CE 3.41Å; Y529-M546 PolarHBondContact OH-SD 3.43Å; Y529-M546 VanDerWaalsContact OH-SD 3.37Å; Q530-M546 WeakPolarHBondContact CA-O 3.24Å; T531-M546 HydrophobicContact CG2-CB 4.11Å; T531-M546 PolarHBondContact N-O 3.35Å; T531-M546 PolarHBondContact OG1-N 3.41Å; T531-M546 PolarHBondContact OG1-O 3.34Å; E544-M546 PolarHBondContact O-N 2.81Å; M546-I563 HydrophobicContact SD-CG1 4.44Å
547	V	91.9	Very high	87.2	Confident	111 Å²	111	60.6 Å²	60.6	67%	0.673	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.7	170.8	-177.8	0	0	0	0	107.6	Q530	Q530-V547 HydrophobicContact CB-CG1 4.5Å; Q530-V547 HydrophobicContact CB-CG2 4.12Å
548	G	91.1	Very high	87.3	Confident	25 Å²	25	61 Å²	61	26%	0.258	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-166.1	-172.5	0	0	0	0	0	113.2	P528 Y529	P528-G548 CarbonylContact C-O 3.46Å; P528-G548 WeakPolarHBondContact CA-O 3.15Å; Y529-G548 PolarHBondContact N-O 3.26Å; Y529-G548 PolarHBondContact O-N 2.89Å
549	Y	90.2	Very high	87.4	Confident	117 Å²	117	60.8 Å²	60.8	46%	0.459	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.4	169.7	61.6	-90.8	0	0	0	109.8	R526 L527	R526-Y549 HydrophobicContact CB-CD2 4.34Å; R526-Y549 HydrophobicContact CG-CD2 3.73Å; R526-Y549 HydrophobicContact CG-CE2 4.05Å; L527-Y549 CarbonylContact O-C 3.56Å; L527-Y549 WeakPolarHBondContact O-CA 3.15Å
550	I	92	Very high	87.8	Confident	22 Å²	22	60.2 Å²	60.2	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.9	169.1	-171.9	164.1	0	0	0	108.7	R526 L527 Y529 F552 G559	R526-I550 WeakPolarHBondContact CA-O 3.46Å; L527-I550 HydrophobicContact CB-CG2 3.72Å; L527-I550 HydrophobicContact CD2-CG2 3.96Å; L527-I550 HydrophobicContact CG-CG2 4.26Å; L527-I550 PolarHBondContact N-O 2.88Å; L527-I550 PolarHBondContact O-N 2.76Å; Y529-I550 HydrophobicContact CE1-CB 4.5Å; I550-F552 HydrophobicContact CD1-CE2 4.37Å; I550-F552 HydrophobicContact CG1-CE2 4.23Å; I550-F552 HydrophobicContact CG2-CD2 4.15Å; I550-F552 HydrophobicContact CG2-CE2 3.6Å; I550-G559 VanDerWaalsContact CD1-C 3.42Å; I550-G559 VanDerWaalsContact CD1-CA 3.48Å
551	E	90.2	Very high	88.2	Confident	63 Å²	63	59 Å²	59	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.6	178.7	-171.4	174.4	112.1	0	0	108.9	V524 V525 R526 Q553	V524-E551 HydrophobicContact CG1-CG 3.95Å; V525-E551 WeakPolarHBondContact O-CA 3.09Å; R526-E551 HydrophobicContact CG-CB 4.14Å; R526-E551 HydrophobicContact CG-CG 4.04Å; R526-E551 IonicContact CZ-OE2 3.31Å; R526-E551 VanDerWaalsContact CZ-OE2 3.31Å; R526-E551 IonicContact NE-OE2 2.8Å; R526-E551 PolarHBondContact NE-OE2 3.42Å; R526-E551 IonicContact NH2-OE2 2.91Å; R526-E551 PolarHBondContact NH2-OE2 2.6Å; E551-Q553 PolarHBondContact OE1-NE2 2.89Å
552	F	89.7	Confident	88.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.5	172.2	-73.8	-102.9	0	0	0	108.6	F495 V515 R517 V524 V525 L527 I550 Q556	F495-F552 HydrophobicContact CD1-CD2 4.01Å; F495-F552 AromaticContact CD1-CE2 3.73Å; F495-F552 HydrophobicContact CD1-CE2 3.73Å; F495-F552 HydrophobicContact CD1-CZ 4.03Å; F495-F552 HydrophobicContact CE1-CB 4.21Å; F495-F552 HydrophobicContact CE1-CD1 4.05Å; F495-F552 AromaticContact CE1-CD2 3.46Å; F495-F552 HydrophobicContact CE1-CD2 3.46Å; F495-F552 VanDerWaalsContact CE1-CD2 3.46Å; F495-F552 HydrophobicContact CE1-CE1 4.22Å; F495-F552 AromaticContact CE1-CE2 3.66Å; F495-F552 HydrophobicContact CE1-CE2 3.66Å; F495-F552 AromaticContact CE1-CG 3.66Å; F495-F552 HydrophobicContact CE1-CG 3.66Å; F495-F552 HydrophobicContact CE1-CZ 4.05Å; F495-F552 HydrophobicContact CZ-CD2 4.49Å; V515-F552 HydrophobicContact CB-CZ 4.1Å; V515-F552 HydrophobicContact CG1-CE2 4.33Å; V515-F552 HydrophobicContact CG1-CZ 3.95Å; R517-F552 HydrophobicContact CB-CD1 4.19Å; R517-F552 HydrophobicContact CB-CE1 4.02Å; V524-F552 CarbonylContact C-O 3.56Å; V524-F552 VanDerWaalsContact CA-O 3.27Å; V524-F552 WeakPolarHBondContact CA-O 3.49Å; V524-F552 WeakPolarHBondContact CG1-O 3.31Å; V525-F552 PolarHBondContact N-O 3.45Å; V525-F552 PolarHBondContact O-N 2.95Å; L527-F552 HydrophobicContact CD2-CE2 4.17Å; I550-F552 HydrophobicContact CD1-CE2 4.37Å; I550-F552 HydrophobicContact CG1-CE2 4.23Å; I550-F552 HydrophobicContact CG2-CD2 4.15Å; I550-F552 HydrophobicContact CG2-CE2 3.6Å; F552-Q556 HydrophobicContact CD1-CB 4.43Å; F552-Q556 HydrophobicContact CD1-CG 4.09Å
553	Q	87.8	Confident	88.9	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-72	170.7	172.4	-60.3	-57.6	-36.5	0	0	111.3	R517 E551 D555 Q556	R517-Q553 PolarHBondContact NH1-O 2.87Å; R517-Q553 VanDerWaalsContact NH1-O 3.1Å; E551-Q553 PolarHBondContact OE1-NE2 2.89Å; Q553-D555 PolarHBondContact O-N 3.21Å; Q553-Q556 HydrophobicContact CB-CB 4.3Å; Q553-Q556 VanDerWaalsContact O-CB 3.31Å; Q553-Q556 WeakPolarHBondContact O-CB 3.36Å; Q553-Q556 PolarHBondContact O-N 3.21Å
554	N	80.9	Confident	88.9	Confident	80 Å²	80	65 Å²	65	43%	0.428	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.2	169.5	-162.7	77.6	0	0	0	109.3	G523 Q556	G523-N554 WeakPolarHBondContact CA-OD1 3.39Å; G523-N554 PolarHBondContact N-OD1 3.43Å; N554-Q556 PolarHBondContact O-N 2.85Å
555	D	77.7	Confident	88.8	Confident	102 Å²	102	61.5 Å²	61.5	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	14.2	-179.8	-41	-39.3	0	0	0	114.6	C521 Q553	C521-D555 PolarHBondContact O-N 2.95Å; Q553-D555 PolarHBondContact O-N 3.21Å
556	Q	83.2	Confident	88.5	Confident	63 Å²	63	60.1 Å²	60.1	29%	0.294	30%	0.298	S	S	.	.			trans	-90.7	117.4	173	-170.9	179.8	-10.5	0	0	110.2	R517 F552 Q553 N554 E558	R517-Q556 WeakPolarHBondContact CD-O 2.99Å; R517-Q556 PolarHBondContact NH1-O 2.8Å; F552-Q556 HydrophobicContact CD1-CB 4.43Å; F552-Q556 HydrophobicContact CD1-CG 4.09Å; Q553-Q556 HydrophobicContact CB-CB 4.3Å; Q553-Q556 VanDerWaalsContact O-CB 3.31Å; Q553-Q556 WeakPolarHBondContact O-CB 3.36Å; Q553-Q556 PolarHBondContact O-N 3.21Å; N554-Q556 PolarHBondContact O-N 2.85Å; Q556-E558 WeakPolarHBondContact CG-O 3.38Å; Q556-E558 PolarHBondContact NE2-O 2.63Å
557	T	83.6	Confident	87.9	Confident	52 Å²	52	60.5 Å²	60.5	32%	0.319	30%	0.301	S	S	.	.			trans	-97.8	-20.6	-177.6	53.4	0	0	0	0	113.9	M384 R517 C521	M384-T557 HydrophobicContact SD-CG2 4.36Å; R517-T557 WeakPolarHBondContact CB-O 3.18Å; R517-T557 PolarHBondContact N-O 3.01Å; C521-T557 HydrophobicContact CB-CG2 3.96Å
558	E	89	Confident	86.8	Confident	96 Å²	96	58 Å²	58	45%	0.449	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.6	178.4	65.9	170.8	179.1	0	0	112.9	K514 Q556	K514-E558 IonicContact NZ-OE2 2.66Å; K514-E558 PolarHBondContact NZ-OE2 3.35Å; Q556-E558 WeakPolarHBondContact CG-O 3.38Å; Q556-E558 PolarHBondContact NE2-O 2.63Å
559	G	90	Very high	85.5	Confident	4 Å²	4	59.9 Å²	59.9	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.9	173.4	0	0	0	0	0	110.6	V515 I550	V515-G559 PolarHBondContact N-O 3.28Å; V515-G559 PolarHBondContact O-N 3.16Å; I550-G559 VanDerWaalsContact CD1-C 3.42Å; I550-G559 VanDerWaalsContact CD1-CA 3.48Å
560	T	91.8	Very high	83.9	Confident	58 Å²	58	59.1 Å²	59.1	36%	0.356	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.5	-176.5	-53	0	0	0	0	111	E512 I513 R562	E512-T560 HydrophobicContact CB-CG2 3.83Å; E512-T560 HydrophobicContact CG-CG2 4.33Å; I513-T560 WeakPolarHBondContact O-CA 3.45Å; T560-R562 HydrophobicContact CG2-CG 4.34Å
561	I	92.5	Very high	82.2	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.3	166.9	-61.6	167.2	0	0	0	107.5	F497 I513 V515 Y529 I563 V579 L581	F497-I561 HydrophobicContact CE1-CD1 4.28Å; I513-I561 HydrophobicContact CB-CB 4.29Å; I513-I561 HydrophobicContact CD1-CG2 4.38Å; I513-I561 PolarHBondContact N-O 3.37Å; I513-I561 PolarHBondContact O-N 3.42Å; V515-I561 HydrophobicContact CG2-CD1 3.66Å; V515-I561 HydrophobicContact CG2-CG1 4.14Å; Y529-I561 HydrophobicContact CD1-CD1 3.72Å; Y529-I561 HydrophobicContact CD1-CG1 3.96Å; Y529-I561 HydrophobicContact CD2-CD1 4.03Å; Y529-I561 HydrophobicContact CD2-CG1 4.45Å; Y529-I561 HydrophobicContact CD2-CG2 3.9Å; Y529-I561 HydrophobicContact CE1-CD1 4.27Å; Y529-I561 HydrophobicContact CE1-CG1 4Å; Y529-I561 HydrophobicContact CE1-CG2 4.4Å; Y529-I561 HydrophobicContact CE2-CG2 3.55Å; Y529-I561 HydrophobicContact CG-CD1 3.58Å; Y529-I561 HydrophobicContact CG-CG1 4.19Å; Y529-I561 HydrophobicContact CG-CG2 4.48Å; I561-I563 HydrophobicContact CG2-CD1 4.36Å; I561-I563 HydrophobicContact CG2-CG1 4.06Å; I561-V579 HydrophobicContact CD1-CG1 4.42Å; I561-L581 HydrophobicContact CD1-CD2 4.25Å
562	R	91.8	Very high	80.6	Confident	147 Å²	147	64.7 Å²	64.7	56%	0.555	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.4	176	-70.3	-175.3	168.6	169.3	-1.6	109.7	Y510 E512 T560	Y510-R562 HydrophobicContact CD1-CB 4.21Å; E512-R562 HydrophobicContact CG-CG 4.31Å; E512-R562 IonicContact OE1-CZ 2.84Å; E512-R562 IonicContact OE1-NE 3.84Å; E512-R562 PolarHBondContact OE1-NE 2.89Å; E512-R562 IonicContact OE1-NH2 3.39Å; E512-R562 PolarHBondContact OE1-NH2 3.25Å; T560-R562 HydrophobicContact CG2-CG 4.34Å
563	I	91.8	Very high	79.4	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.1	174.1	-63.5	171.5	0	0	0	108.2	Y510 A511 I513 T531 F543 M546 I561 V565 F577 V579	Y510-I563 CarbonylContact C-O 3.41Å; Y510-I563 VanDerWaalsContact CA-O 3.31Å; Y510-I563 WeakPolarHBondContact CA-O 3.32Å; A511-I563 PolarHBondContact N-O 3.3Å; A511-I563 PolarHBondContact O-N 2.7Å; A511-I563 VanDerWaalsContact O-N 3.08Å; I513-I563 HydrophobicContact CD1-CB 4.38Å; I513-I563 HydrophobicContact CD1-CD1 3.58Å; I513-I563 HydrophobicContact CD1-CG1 3.97Å; T531-I563 HydrophobicContact CG2-CD1 3.49Å; T531-I563 VanDerWaalsContact CG2-CD1 3.49Å; T531-I563 HydrophobicContact CG2-CG1 4.25Å; T531-I563 HydrophobicContact CG2-CG2 4.5Å; F543-I563 HydrophobicContact CB-CG2 4.37Å; F543-I563 HydrophobicContact CD2-CG2 4.34Å; M546-I563 HydrophobicContact SD-CG1 4.44Å; I561-I563 HydrophobicContact CG2-CD1 4.36Å; I561-I563 HydrophobicContact CG2-CG1 4.06Å; I563-V565 PolarHBondContact O-N 3.39Å; I563-F577 HydrophobicContact CD1-CE2 3.87Å; I563-F577 HydrophobicContact CD1-CZ 4.48Å; I563-F577 HydrophobicContact CG2-CE2 4.17Å; I563-F577 HydrophobicContact CG2-CZ 4.11Å; I563-V579 HydrophobicContact CD1-CB 4.47Å; I563-V579 HydrophobicContact CD1-CG1 4.43Å; I563-V579 HydrophobicContact CD1-CG2 3.22Å
564	R	90.6	Very high	78.8	Confident	93 Å²	93	72.7 Å²	72.7	35%	0.351	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.3	177.8	-161.7	-172.3	-172	-177.9	-0.6	110.2	E509 Y510 F543 E544	E509-R564 WeakPolarHBondContact O-CA 2.99Å; E509-R564 WeakPolarHBondContact O-CG 3.44Å; Y510-R564 HydrophobicContact CD1-CB 4.12Å; Y510-R564 HydrophobicContact CD1-CG 4.37Å; Y510-R564 HydrophobicContact CE1-CB 3.93Å; Y510-R564 HydrophobicContact CE1-CG 4.01Å; F543-R564 WeakPolarHBondContact CA-O 3.42Å; E544-R564 HydrophobicContact CB-CB 4.26Å; E544-R564 VanDerWaalsContact CD-CD 3.43Å; E544-R564 HydrophobicContact CG-CB 4.25Å; E544-R564 PolarHBondContact N-O 2.86Å; E544-R564 VanDerWaalsContact N-O 3.1Å; E544-R564 VanDerWaalsContact OE1-CD 3.22Å; E544-R564 WeakPolarHBondContact OE1-CD 3.47Å; E544-R564 IonicContact OE1-CZ 3.18Å; E544-R564 IonicContact OE1-NE 3.42Å; E544-R564 IonicContact OE1-NH1 2.74Å; E544-R564 PolarHBondContact OE1-NH1 3.31Å
565	V	88.6	Confident	79.1	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.036	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-98.8	138.1	174.2	179.5	0	0	0	0	108	V504 E509 A511 I563 I658	V504-V565 HydrophobicContact CG2-CG2 4.46Å; E509-V565 PolarHBondContact O-N 3.26Å; E509-V565 VanDerWaalsContact O-N 3.15Å; A511-V565 HydrophobicContact CB-CG2 3.82Å; I563-V565 PolarHBondContact O-N 3.39Å; V565-I658 HydrophobicContact CG1-CD1 4.05Å; V565-I658 HydrophobicContact CG1-CG1 4.35Å; V565-I658 HydrophobicContact CG1-CG2 4.36Å
566	M	84	Confident	79.7	Confident	59 Å²	59	70 Å²	70	29%	0.291	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-99.3	122.5	-178.8	-61.1	-61.7	-65.2	0	0	109	K541 D542 D568	K541-M566 WeakPolarHBondContact O-CB 3.41Å; D542-M566 PolarHBondContact O-N 3.22Å; M566-D568 PolarHBondContact O-N 2.86Å
567	D	77.4	Confident	80.2	Confident	77 Å²	77	67 Å²	67	41%	0.412	32%	0.324	S	S	.	.			trans	-82.5	101	172.8	-174.3	-11.3	0	0	0	109.1	N569	D567-N569 VanDerWaalsContact OD1-CG 3.27Å; D567-N569 PolarHBondContact OD1-N 3.39Å; D567-N569 VanDerWaalsContact OD1-N 3.09Å; D567-N569 PolarHBondContact OD1-ND2 2.98Å
568	D	69.7	Low	80.7	Confident	59 Å²	59	66.9 Å²	66.9	32%	0.316	32%	0.318	S	S	.	.			trans	-94.9	-1.5	177.2	85.5	-6.2	0	0	0	112.5	E506 M566 N570	E506-D568 PolarHBondContact OE1-N 2.77Å; M566-D568 PolarHBondContact O-N 2.86Å; D568-N570 VanDerWaalsContact CG-ND2 3.25Å; D568-N570 PolarHBondContact O-N 3.39Å; D568-N570 VanDerWaalsContact O-N 3.17Å; D568-N570 WeakPolarHBondContact OD1-CB 3.37Å; D568-N570 PolarHBondContact OD1-N 3.1Å; D568-N570 PolarHBondContact OD1-ND2 3.16Å; D568-N570 PolarHBondContact OD2-ND2 3.26Å
569	N	62.1	Low	80.9	Confident	65 Å²	65	62.3 Å²	62.3	35%	0.348	30%	0.296	S	S	.	.			trans	52.8	24.7	-177.4	-76.1	-93.4	0	0	0	113.5	K298 E506 D567 Y571	K298-N569 WeakPolarHBondContact CE-O 3.06Å; K298-N569 PolarHBondContact NZ-O 3.02Å; E506-N569 PolarHBondContact OE1-N 2.96Å; D567-N569 VanDerWaalsContact OD1-CG 3.27Å; D567-N569 PolarHBondContact OD1-N 3.39Å; D567-N569 VanDerWaalsContact OD1-N 3.09Å; D567-N569 PolarHBondContact OD1-ND2 2.98Å; N569-Y571 PolarHBondContact O-N 3.32Å
570	N	58.3	Low	81.1	Confident	101 Å²	101	65.7 Å²	65.7	54%	0.54	31%	0.311	S	S	.	.			trans	-86.7	94.6	176.1	-71.5	-40	0	0	0	111.6	D568 E572	D568-N570 VanDerWaalsContact CG-ND2 3.25Å; D568-N570 PolarHBondContact O-N 3.39Å; D568-N570 VanDerWaalsContact O-N 3.17Å; D568-N570 WeakPolarHBondContact OD1-CB 3.37Å; D568-N570 PolarHBondContact OD1-N 3.1Å; D568-N570 PolarHBondContact OD1-ND2 3.16Å; D568-N570 PolarHBondContact OD2-ND2 3.26Å; N570-E572 PolarHBondContact O-N 3.05Å
571	Y	56.2	Low	81.1	Confident	58 Å²	58	63.2 Å²	63.2	23%	0.227	30%	0.295	C	S	.	.			trans	-57.7	103.5	154.1	-165.9	-89.8	0	0	0	109.3	M291 V294 K298 N569 E660	M291-Y571 HydrophobicContact CE-CD1 4.34Å; M291-Y571 HydrophobicContact CE-CE1 3.24Å; M291-Y571 VanDerWaalsContact CE-CZ 3.48Å; M291-Y571 WeakPolarHBondContact CE-OH 3.45Å; M291-Y571 HydrophobicContact SD-CD1 4.01Å; M291-Y571 HydrophobicContact SD-CE1 3.37Å; M291-Y571 WeakPolarHBondContact SD-CE1 3.5Å; V294-Y571 HydrophobicContact CB-CD2 4.43Å; V294-Y571 HydrophobicContact CB-CG 4.44Å; V294-Y571 VanDerWaalsContact CG1-CB 3.44Å; V294-Y571 HydrophobicContact CG1-CD1 3.95Å; V294-Y571 HydrophobicContact CG1-CD2 3.63Å; V294-Y571 HydrophobicContact CG1-CE2 4.32Å; V294-Y571 HydrophobicContact CG1-CG 3.42Å; V294-Y571 VanDerWaalsContact CG1-CG 3.42Å; V294-Y571 HydrophobicContact CG2-CD2 3.92Å; V294-Y571 HydrophobicContact CG2-CE2 3.79Å; V294-Y571 HydrophobicContact CG2-CG 4.36Å; K298-Y571 VanDerWaalsContact CE-N 3.34Å; K298-Y571 PolarHBondContact NZ-O 3.41Å; N569-Y571 PolarHBondContact O-N 3.32Å; Y571-E660 WeakPolarHBondContact CD2-OE1 3.15Å; Y571-E660 WeakPolarHBondContact CE2-OE1 3.44Å; Y571-E660 WeakPolarHBondContact CE2-OE2 3.44Å
572	E	56.3	Low	81	Confident	143 Å²	143	64.3 Å²	64.3	67%	0.668	31%	0.307	S	S	*	.	S	Bend	trans	168.9	91.6	148.9	-93.3	165.8	-147.8	0	0	110.1	N570	N570-E572 PolarHBondContact O-N 3.05Å
573	K	63.3	Low	80.8	Confident	184 Å²	184	63.7 Å²	63.7	80%	0.8	31%	0.311	S	S	*	.			trans	99.6	130.3	170.3	-57.1	159.7	-173.6	170.4	0	114.4	E575	K573-E575 PolarHBondContact O-N 3.36Å
574	S	76.3	Confident	80.7	Confident	77 Å²	77	64.3 Å²	64.3	54%	0.538	32%	0.315	S	S	.	.			trans	-59.1	120	163.1	-52.1	0	0	0	0	108.8	I658	S574-I658 WeakPolarHBondContact CA-O 3.38Å
575	E	86.5	Confident	80.4	Confident	58 Å²	58	63.6 Å²	63.6	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	157.2	176	-56.1	-165.2	146.7	0	0	109.8	T535 A536 K573 T657 I658	T535-E575 WeakPolarHBondContact OG1-CA 3.26Å; A536-E575 HydrophobicContact CB-CB 3.87Å; K573-E575 PolarHBondContact O-N 3.36Å; E575-T657 CarbonylContact O-C 3.59Å; E575-T657 WeakPolarHBondContact O-CA 3.17Å; E575-I658 PolarHBondContact N-O 3.27Å; E575-I658 PolarHBondContact O-N 3.05Å
576	Y	90.3	Very high	79.9	Confident	68 Å²	68	67.2 Å²	67.2	27%	0.267	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	177.2	65.9	-92.1	0	0	0	112.6	G534 T535 A536 Y578 K655 I656	G534-Y576 CarbonylContact C-O 3.58Å; G534-Y576 WeakPolarHBondContact CA-O 3.12Å; T535-Y576 HydrophobicContact CG2-CD1 4.23Å; T535-Y576 HydrophobicContact CG2-CE1 3.59Å; T535-Y576 PolarHBondContact N-O 2.91Å; T535-Y576 PolarHBondContact OG1-N 3.2Å; A536-Y576 WeakPolarHBondContact CB-O 3.34Å; A536-Y576 PolarHBondContact N-O 3.41Å; Y576-Y578 HydrophobicContact CD2-CD2 4.38Å; Y576-Y578 AromaticContact CD2-CE2 3.71Å; Y576-Y578 HydrophobicContact CD2-CE2 3.71Å; Y576-Y578 AromaticContact CD2-CZ 3.82Å; Y576-Y578 HydrophobicContact CE2-CD2 4.48Å; Y576-Y578 AromaticContact CE2-CE2 3.46Å; Y576-Y578 HydrophobicContact CE2-CE2 3.46Å; Y576-Y578 VanDerWaalsContact CE2-CE2 3.46Å; Y576-Y578 AromaticContact CE2-CZ 3.59Å; Y576-Y578 VanDerWaalsContact CE2-OH 3.29Å; Y576-Y578 WeakPolarHBondContact CE2-OH 3.46Å; Y576-K655 HydrophobicContact CD2-CD 4.21Å; Y576-K655 HydrophobicContact CD2-CG 3.94Å; Y576-K655 HydrophobicContact CG-CD 4.26Å; Y576-K655 HydrophobicContact CG-CG 4.13Å; Y576-I656 CarbonylContact C-O 3.54Å; Y576-I656 WeakPolarHBondContact CA-O 3.45Å; Y576-I656 VanDerWaalsContact CB-O 3.27Å; Y576-I656 WeakPolarHBondContact CB-O 3.42Å
577	F	93.3	Very high	79.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	176.3	167.7	68.4	-82.5	0	0	0	109.5	A536 F543 I563 V579 I656 I658	A536-F577 HydrophobicContact CB-CB 4.23Å; A536-F577 HydrophobicContact CB-CD1 4.42Å; F543-F577 HydrophobicContact CB-CE1 4.28Å; F543-F577 HydrophobicContact CB-CZ 4.43Å; F543-F577 HydrophobicContact CD1-CB 3.95Å; F543-F577 AromaticContact CD1-CD1 3.77Å; F543-F577 HydrophobicContact CD1-CD1 3.77Å; F543-F577 HydrophobicContact CD1-CD2 4.31Å; F543-F577 HydrophobicContact CD1-CE1 4.32Å; F543-F577 AromaticContact CD1-CG 3.76Å; F543-F577 HydrophobicContact CD1-CG 3.76Å; F543-F577 HydrophobicContact CD2-CD2 4.18Å; F543-F577 HydrophobicContact CD2-CE2 4.29Å; F543-F577 HydrophobicContact CD2-CG 4.44Å; F543-F577 HydrophobicContact CE1-CB 3.43Å; F543-F577 VanDerWaalsContact CE1-CB 3.43Å; F543-F577 HydrophobicContact CE1-CD1 4.17Å; F543-F577 HydrophobicContact CE1-CD2 4.26Å; F543-F577 AromaticContact CE1-CG 3.73Å; F543-F577 HydrophobicContact CE1-CG 3.73Å; F543-F577 HydrophobicContact CE2-CD2 4.15Å; F543-F577 HydrophobicContact CE2-CG 4.43Å; F543-F577 HydrophobicContact CG-CD1 4.13Å; F543-F577 HydrophobicContact CG-CD2 4.28Å; F543-F577 HydrophobicContact CG-CE1 4.26Å; F543-F577 HydrophobicContact CG-CE2 4.4Å; F543-F577 HydrophobicContact CG-CG 4.14Å; F543-F577 HydrophobicContact CG-CZ 4.39Å; F543-F577 HydrophobicContact CZ-CB 3.81Å; F543-F577 HydrophobicContact CZ-CD2 4.19Å; F543-F577 HydrophobicContact CZ-CG 4.08Å; I563-F577 HydrophobicContact CD1-CE2 3.87Å; I563-F577 HydrophobicContact CD1-CZ 4.48Å; I563-F577 HydrophobicContact CG2-CE2 4.17Å; I563-F577 HydrophobicContact CG2-CZ 4.11Å; F577-V579 HydrophobicContact CD2-CG2 4.41Å; F577-V579 HydrophobicContact CE2-CG2 3.97Å; F577-I656 HydrophobicContact CD1-CB 4.14Å; F577-I656 HydrophobicContact CD1-CG2 4.28Å; F577-I656 HydrophobicContact CD2-CD1 4.12Å; F577-I656 HydrophobicContact CE1-CB 3.73Å; F577-I656 HydrophobicContact CE1-CD1 4.3Å; F577-I656 HydrophobicContact CE1-CG2 3.5Å; F577-I656 HydrophobicContact CE2-CB 4.17Å; F577-I656 HydrophobicContact CE2-CD1 3.33Å; F577-I656 HydrophobicContact CE2-CG1 4.38Å; F577-I656 HydrophobicContact CZ-CB 3.76Å; F577-I656 HydrophobicContact CZ-CD1 3.45Å; F577-I656 VanDerWaalsContact CZ-CD1 3.45Å; F577-I656 HydrophobicContact CZ-CG1 4.23Å; F577-I656 HydrophobicContact CZ-CG2 3.68Å; F577-I656 PolarHBondContact N-O 2.9Å; F577-I656 PolarHBondContact O-N 3.48Å; F577-I658 HydrophobicContact CD1-CD1 4.13Å; F577-I658 HydrophobicContact CD1-CG1 4.39Å; F577-I658 HydrophobicContact CE1-CD1 4.06Å; F577-I658 HydrophobicContact CE1-CG1 4.16Å
578	Y	94.2	Very high	79	Confident	49 Å²	49	69.7 Å²	69.7	19%	0.192	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.9	-179.9	-58.9	-92.5	0	0	0	112.1	T531 V532 Y576 R653 I654 K655	T531-Y578 CarbonylContact C-O 3.47Å; T531-Y578 WeakPolarHBondContact CA-O 3.28Å; V532-Y578 PolarHBondContact N-O 3.07Å; V532-Y578 PolarHBondContact O-N 3.14Å; Y576-Y578 HydrophobicContact CD2-CD2 4.38Å; Y576-Y578 AromaticContact CD2-CE2 3.71Å; Y576-Y578 HydrophobicContact CD2-CE2 3.71Å; Y576-Y578 AromaticContact CD2-CZ 3.82Å; Y576-Y578 HydrophobicContact CE2-CD2 4.48Å; Y576-Y578 AromaticContact CE2-CE2 3.46Å; Y576-Y578 HydrophobicContact CE2-CE2 3.46Å; Y576-Y578 VanDerWaalsContact CE2-CE2 3.46Å; Y576-Y578 AromaticContact CE2-CZ 3.59Å; Y576-Y578 VanDerWaalsContact CE2-OH 3.29Å; Y576-Y578 WeakPolarHBondContact CE2-OH 3.46Å; Y578-R653 HydrophobicContact CD1-CG 3.99Å; Y578-R653 HydrophobicContact CG-CG 4.45Å; Y578-I654 VanDerWaalsContact CA-O 3.23Å; Y578-I654 WeakPolarHBondContact CA-O 3.47Å; Y578-K655 HydrophobicContact CD1-CB 3.74Å; Y578-K655 HydrophobicContact CD1-CG 4.12Å; Y578-K655 HydrophobicContact CE1-CB 3.6Å; Y578-K655 HydrophobicContact CE1-CD 4.23Å; Y578-K655 HydrophobicContact CE1-CG 3.71Å
579	V	94	Very high	78.2	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.6	167.8	-175	0	0	0	0	107.9	F497 I513 Q530 T531 I561 I563 F577 R653 I654 I656	F497-V579 HydrophobicContact CE1-CG1 4.41Å; F497-V579 WeakPolarHBondContact CE2-O 3.39Å; F497-V579 HydrophobicContact CZ-CB 4.12Å; F497-V579 HydrophobicContact CZ-CG1 3.89Å; I513-V579 HydrophobicContact CD1-CG2 4.1Å; Q530-V579 WeakPolarHBondContact O-CA 3.33Å; T531-V579 HydrophobicContact CG2-CG2 4.38Å; I561-V579 HydrophobicContact CD1-CG1 4.42Å; I563-V579 HydrophobicContact CD1-CB 4.47Å; I563-V579 HydrophobicContact CD1-CG1 4.43Å; I563-V579 HydrophobicContact CD1-CG2 3.22Å; F577-V579 HydrophobicContact CD2-CG2 4.41Å; F577-V579 HydrophobicContact CE2-CG2 3.97Å; V579-R653 VanDerWaalsContact O-CA 3.32Å; V579-R653 WeakPolarHBondContact O-CA 3.4Å; V579-I654 HydrophobicContact CB-CG2 3.75Å; V579-I654 HydrophobicContact CG2-CG2 4.43Å; V579-I654 PolarHBondContact N-O 3.02Å; V579-I654 PolarHBondContact O-N 3.31Å; V579-I656 HydrophobicContact CB-CD1 4.42Å; V579-I656 HydrophobicContact CG2-CD1 3.4Å; V579-I656 VanDerWaalsContact CG2-CD1 3.4Å
580	Q	93.5	Very high	77.2	Confident	74 Å²	74	79.9 Å²	79.9	35%	0.346	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.9	-176	-173.7	174.2	-0.3	0	0	110.6	Y529 Q530 T652	Y529-Q580 CarbonylContact C-O 3.57Å; Y529-Q580 VanDerWaalsContact CA-O 3.27Å; Y529-Q580 WeakPolarHBondContact CA-O 3.49Å; Q530-Q580 HydrophobicContact CG-CB 4.34Å; Q530-Q580 PolarHBondContact N-O 2.91Å; Q530-Q580 PolarHBondContact O-N 3.2Å; Q580-T652 WeakPolarHBondContact CA-O 3.32Å
581	L	93.1	Very high	76.5	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.031	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.1	173.3	-57.8	176.5	0	0	0	110.6	F497 V515 L527 I561 L648 T652	F497-L581 HydrophobicContact CD2-CD1 4.19Å; F497-L581 HydrophobicContact CD2-CG 4.27Å; F497-L581 HydrophobicContact CE1-CD1 4.43Å; F497-L581 HydrophobicContact CE1-CD2 3.89Å; F497-L581 HydrophobicContact CE1-CG 4.15Å; F497-L581 HydrophobicContact CE2-CD1 4Å; F497-L581 HydrophobicContact CE2-CD2 4.15Å; F497-L581 HydrophobicContact CE2-CG 3.58Å; F497-L581 HydrophobicContact CZ-CD1 4.12Å; F497-L581 HydrophobicContact CZ-CD2 3.53Å; F497-L581 HydrophobicContact CZ-CG 3.5Å; V515-L581 HydrophobicContact CG1-CD1 4.12Å; V515-L581 HydrophobicContact CG2-CD2 4.13Å; L527-L581 HydrophobicContact CD1-CB 4.48Å; L527-L581 HydrophobicContact CD2-CD1 4.13Å; L527-L581 HydrophobicContact CD2-CD2 3.77Å; L527-L581 HydrophobicContact CD2-CG 4.4Å; L527-L581 HydrophobicContact CG-CD2 4.24Å; I561-L581 HydrophobicContact CD1-CD2 4.25Å; L581-L648 HydrophobicContact CB-CD2 3.85Å; L581-L648 HydrophobicContact CD1-CD2 4.48Å; L581-T652 PolarHBondContact N-O 2.89Å
582	G	90	Very high	75.5	Confident	25 Å²	25	81.9 Å²	81.9	26%	0.258	44%	0.435	S	S	.	.			trans	-99.8	174.1	168.7	0	0	0	0	0	112	L527 P528 L648	L527-G582 VanDerWaalsContact CD1-O 3.25Å; L527-G582 WeakPolarHBondContact CD1-O 3.36Å; P528-G582 PolarHBondContact O-N 3.42Å; G582-L648 WeakPolarHBondContact O-CD2 3.14Å
583	E	87.9	Confident	74.7	Confident	135 Å²	135	83.8 Å²	83.8	63%	0.631	44%	0.441	S	S	*	.			trans	-58.3	129.2	-177.8	-64.6	-64.6	161.8	0	0	112.6	P528	P528-E583 WeakPolarHBondContact CD-O 3.12Å
584	P	88.6	Confident	73.4	Confident	14 Å²	14	82.8 Å²	82.8	9%	0.091	45%	0.445	C	S	.	.			trans	-70.3	146.2	177	28.2	-34.4	0	0	0	111.9	F495 V525 L527 P646	F495-P584 HydrophobicContact CD2-CB 3.84Å; F495-P584 HydrophobicContact CD2-CG 4.04Å; F495-P584 HydrophobicContact CE2-CB 4.14Å; F495-P584 HydrophobicContact CG-CB 4.49Å; V525-P584 HydrophobicContact CG1-CB 3.61Å; L527-P584 HydrophobicContact CD1-CB 3.92Å; P584-P646 HydrophobicContact CB-CB 3.97Å; P584-P646 HydrophobicContact CB-CG 4.28Å; P584-P646 HydrophobicContact CG-CB 3.99Å; P584-P646 HydrophobicContact CG-CG 4.43Å
585	V	84.6	Confident	71.7	Confident	77 Å²	77	82.4 Å²	82.4	47%	0.467	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.3	-179.8	-176.4	0	0	0	0	109.9	V525 R526	V525-V585 WeakPolarHBondContact CA-O 3.29Å; R526-V585 PolarHBondContact N-O 3.21Å; R526-V585 PolarHBondContact O-N 3.29Å
586	L	78	Confident	69.4	Low	82 Å²	82	82.7 Å²	82.7	43%	0.429	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131	173.3	-167.5	73.6	0	0	0	110.4	V525 P646	V525-L586 HydrophobicContact CG2-CD1 3.84Å; L586-P646 HydrophobicContact CB-CG 4.01Å
587	I	79.4	Confident	67.2	Low	64 Å²	64	84.6 Å²	84.6	33%	0.328	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	177.1	-59.7	177.8	0	0	0	108.9	V524 R526	V524-I587 HydrophobicContact CB-CB 4.38Å; V524-I587 HydrophobicContact CG1-CB 4.4Å; V524-I587 HydrophobicContact CG1-CD1 4.19Å; V524-I587 PolarHBondContact O-N 3.05Å; R526-I587 HydrophobicContact CB-CD1 4.34Å; R526-I587 HydrophobicContact CG-CD1 3.63Å
588	D	62.5	Low	64.7	Low	124 Å²	124	89.5 Å²	89.5	66%	0.663	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-84	150.5	171.1	-165.6	6.3	0	0	0	111	D590	D588-D590 PolarHBondContact O-N 2.83Å; D588-D590 VanDerWaalsContact O-N 3.15Å
589	K	53.4	Low	62.2	Low	207 Å²	207	90.9 Å²	90.9	90%	0.9	50%	0.502	S	S	*	.	S	Bend	trans	-63.6	-16.8	-176	-75.9	-178.6	175.7	174.7	0	113.6	G591	K589-G591 PolarHBondContact O-N 3.27Å
590	D	42.3	Very low	59.9	Low	132 Å²	132	94.5 Å²	94.5	71%	0.706	52%	0.518	S	S	*	.	S	Bend	trans	-84.5	88.7	173.5	-77.7	-20.6	0	0	0	110.9	D588 T592	D588-D590 PolarHBondContact O-N 2.83Å; D588-D590 VanDerWaalsContact O-N 3.15Å; D590-T592 PolarHBondContact O-N 3.32Å
591	G	43	Very low	57.5	Low	78 Å²	78	93.7 Å²	93.7	80%	0.804	52%	0.524	S	S	*	.			trans	-59.5	60.3	-174.2	0	0	0	0	0	117.5	K589	K589-G591 PolarHBondContact O-N 3.27Å
592	T	34.7	Very low	54.8	Low	122 Å²	122	101.8 Å²	101.8	75%	0.748	55%	0.554	S	S	*	*			trans	-127.7	70.6	176.3	50	0	0	0	0	111.7	D590	D590-T592 PolarHBondContact O-N 3.32Å
593	K	39.1	Very low	52.4	Low	184 Å²	184	105.6 Å²	105.6	80%	0.8	57%	0.567	S	S	*	*			trans	-169.3	84.2	144.3	-101.5	163.3	-167.8	177.1	0	106.5	V595	K593-V595 HydrophobicContact CB-CG2 4.21Å; K593-V595 PolarHBondContact O-N 3.18Å
594	D	36.9	Very low	50.1	Low	163 Å²	163	100.7 Å²	100.7	87%	0.872	55%	0.55	S	S	*	*			trans	-57.9	89.3	151.3	-83.8	-34	0	0	0	106.4	P596	D594-P596 WeakPolarHBondContact O-CD 3.35Å
595	V	40.8	Very low	47.6	Very low	68 Å²	68	107 Å²	107	41%	0.412	58%	0.579	S	S	.	*			trans	-72.4	104.4	166.4	-175.9	0	0	0	0	104.2	K593 L599 F600	K593-V595 HydrophobicContact CB-CG2 4.21Å; K593-V595 PolarHBondContact O-N 3.18Å; V595-L599 HydrophobicContact CG1-CB 3.81Å; V595-L599 HydrophobicContact CG1-CD2 4.23Å; V595-F600 HydrophobicContact CB-CE2 4.36Å; V595-F600 HydrophobicContact CG1-CD2 4.44Å; V595-F600 HydrophobicContact CG1-CE2 3.99Å
596	P	37	Very low	45	Very low	65 Å²	65	111.9 Å²	111.9	42%	0.422	59%	0.589	S	S	.	*			trans	-72	143.8	-172.3	-7.4	25.8	0	0	0	107.8	D594 H598 L599	D594-P596 WeakPolarHBondContact O-CD 3.35Å; P596-H598 WeakPolarHBondContact CB-ND1 3.46Å; P596-H598 PolarHBondContact O-N 2.54Å; P596-L599 PolarHBondContact O-N 2.89Å
597	S	44.8	Very low	43	Very low	108 Å²	108	110.9 Å²	110.9	76%	0.755	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.8	-23	-174.1	46.3	0	0	0	0	116.1	L599	S597-L599 VanDerWaalsContact C-N 3.35Å; S597-L599 PolarHBondContact O-N 3.45Å
598	H	41.5	Very low	40.7	Very low	102 Å²	102	114.6 Å²	114.6	47%	0.472	61%	0.609	S	S	.	*	H	α-helix	trans	-70.9	-19.9	175.9	71.7	-92	0	0	0	115.1	P596 R602	P596-H598 WeakPolarHBondContact CB-ND1 3.46Å; P596-H598 PolarHBondContact O-N 2.54Å; H598-R602 PolarHBondContact O-N 3.36Å
599	L	41.3	Very low	39.3	Very low	78 Å²	78	112.2 Å²	112.2	41%	0.408	60%	0.602	S	S	.	*	H	α-helix	trans	-76.6	-31.7	179.7	-141.8	119.6	0	0	0	111.8	V595 P596 S597 R602 I603	V595-L599 HydrophobicContact CG1-CB 3.81Å; V595-L599 HydrophobicContact CG1-CD2 4.23Å; P596-L599 PolarHBondContact O-N 2.89Å; S597-L599 VanDerWaalsContact C-N 3.35Å; S597-L599 PolarHBondContact O-N 3.45Å; L599-R602 PolarHBondContact O-N 2.88Å; L599-I603 HydrophobicContact CD2-CD1 4.32Å; L599-I603 WeakPolarHBondContact O-CG1 3.48Å; L599-I603 PolarHBondContact O-N 3.11Å; L599-I603 VanDerWaalsContact O-N 3.12Å
600	F	45.1	Very low	38.3	Very low	77 Å²	77	109.2 Å²	109.2	34%	0.338	60%	0.595	S	S	.	*	H	α-helix	trans	-66.8	-40.3	171.9	-73.5	-79.6	0	0	0	111.7	P528 V595 R602 I603 A604	P528-F600 HydrophobicContact CG-CD1 4.49Å; P528-F600 HydrophobicContact CG-CE1 4.05Å; V595-F600 HydrophobicContact CB-CE2 4.36Å; V595-F600 HydrophobicContact CG1-CD2 4.44Å; V595-F600 HydrophobicContact CG1-CE2 3.99Å; F600-R602 VanDerWaalsContact C-N 3.27Å; F600-R602 PolarHBondContact O-N 3.28Å; F600-I603 PolarHBondContact O-N 3.48Å; F600-A604 PolarHBondContact O-N 3.32Å; F600-A604 VanDerWaalsContact O-N 3.08Å
601	A	43	Very low	37.8	Very low	57 Å²	57	110.6 Å²	110.6	47%	0.471	60%	0.601	S	S	.	*	H	α-helix	trans	-61.4	-33.8	172.8	0	0	0	0	0	112.8	Q605	A601-Q605 PolarHBondContact O-N 3.35Å
602	R	36.6	Very low	37.1	Very low	175 Å²	175	112.3 Å²	112.3	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-75.5	-27.9	176.5	-86.1	-175.9	174.1	169.7	0.2	114.2	H598 L599 F600 R606	H598-R602 PolarHBondContact O-N 3.36Å; L599-R602 PolarHBondContact O-N 2.88Å; F600-R602 VanDerWaalsContact C-N 3.27Å; F600-R602 PolarHBondContact O-N 3.28Å; R602-R606 PolarHBondContact O-N 2.82Å
603	I	40.3	Very low	36.6	Very low	105 Å²	105	110 Å²	110	54%	0.538	60%	0.602	S	S	.	*	H	α-helix	trans	-74.8	-39.5	174	-66.9	169.6	0	0	0	109.9	L599 F600 Q605 R606 S607	L599-I603 HydrophobicContact CD2-CD1 4.32Å; L599-I603 WeakPolarHBondContact O-CG1 3.48Å; L599-I603 PolarHBondContact O-N 3.11Å; L599-I603 VanDerWaalsContact O-N 3.12Å; F600-I603 PolarHBondContact O-N 3.48Å; I603-Q605 VanDerWaalsContact C-N 3.34Å; I603-Q605 PolarHBondContact O-N 2.77Å; I603-R606 WeakPolarHBondContact O-CB 3.35Å; I603-R606 PolarHBondContact O-N 3.01Å; I603-S607 PolarHBondContact O-N 2.71Å
604	A	40	Very low	35.8	Very low	33 Å²	33	109.5 Å²	109.5	27%	0.273	61%	0.608	S	S	.	*	H	α-helix	trans	-61.6	-37.4	174	0	0	0	0	0	113	F600 R606 S607	F600-A604 PolarHBondContact O-N 3.32Å; F600-A604 VanDerWaalsContact O-N 3.08Å; A604-R606 VanDerWaalsContact C-N 3.26Å; A604-R606 PolarHBondContact O-N 3.11Å; A604-S607 PolarHBondContact O-OG 3.11Å
605	Q	35.8	Very low	35.3	Very low	147 Å²	147	107 Å²	107	69%	0.687	60%	0.603	S	S	*	*	H	α-helix	trans	-71.8	-17.9	172.7	-74.8	-172.2	-28.8	0	0	113.9	A601 I603	A601-Q605 PolarHBondContact O-N 3.35Å; I603-Q605 VanDerWaalsContact C-N 3.34Å; I603-Q605 PolarHBondContact O-N 2.77Å
606	R	30.1	Very low	34.4	Very low	179 Å²	179	109.1 Å²	109.1	68%	0.675	62%	0.621	S	S	*	*	H	α-helix	trans	-82.5	-29.7	-177.8	-141.8	173.5	-171.8	176	1.1	112.1	R602 I603 A604 D608 S609	R602-R606 PolarHBondContact O-N 2.82Å; I603-R606 WeakPolarHBondContact O-CB 3.35Å; I603-R606 PolarHBondContact O-N 3.01Å; A604-R606 VanDerWaalsContact C-N 3.26Å; A604-R606 PolarHBondContact O-N 3.11Å; R606-D608 VanDerWaalsContact C-N 3.3Å; R606-D608 PolarHBondContact O-N 3.28Å; R606-S609 PolarHBondContact O-N 3.05Å; R606-S609 PolarHBondContact O-OG 3.33Å
607	S	36.1	Very low	33.8	Very low	60 Å²	60	113.1 Å²	113.1	42%	0.42	64%	0.635	S	S	.	*	H	α-helix	trans	-64.8	-30	173.8	37.1	0	0	0	0	113.3	I603 A604 S609	I603-S607 PolarHBondContact O-N 2.71Å; A604-S607 PolarHBondContact O-OG 3.11Å; S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.44Å
608	D	31.1	Very low	32.7	Very low	142 Å²	142	116.3 Å²	116.3	76%	0.759	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-21.5	175.6	-82.1	-14.7	0	0	0	113.4	R606	R606-D608 VanDerWaalsContact C-N 3.3Å; R606-D608 PolarHBondContact O-N 3.28Å
609	S	32.5	Very low	31.8	Very low	75 Å²	75	123.1 Å²	123.1	52%	0.524	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-6.5	-179.1	64.8	0	0	0	0	114.8	R606 S607	R606-S609 PolarHBondContact O-N 3.05Å; R606-S609 PolarHBondContact O-OG 3.33Å; S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.44Å
610	L	32.6	Very low	30.9	Very low	143 Å²	143	131 Å²	131	75%	0.749	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	1.3	-178.5	-82.4	163.5	0	0	0	114.6
611	I	30.9	Very low	29.8	Very low	161 Å²	161	134.9 Å²	134.9	83%	0.826	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	0.6	175.1	-59.5	178.8	0	0	0	112.5
612	S	28.4	Very low	29.1	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	72%	0.723	S	S	*	*	S	Bend	trans	-140.6	102.1	175.1	-165.7	0	0	0	0	113
613	G	24.1	Very low	28.4	Very low	75 Å²	75	141.1 Å²	141.1	77%	0.773	74%	0.735	S	S	*	*			trans	146.5	92.2	162.2	0	0	0	0	0	116.3	S615	G613-S615 PolarHBondContact O-N 3.47Å
614	N	22.6	Very low	27.5	Very low	173 Å²	173	142.7 Å²	142.7	93%	0.925	75%	0.75	S	S	*	*			trans	-49.7	123.3	155.5	-92.4	-18.7	0	0	0	111.2
615	S	26.2	Very low	26.8	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	78%	0.776	S	S	*	*			trans	-170.8	130.2	135	50.6	0	0	0	0	112.5	G613	G613-S615 PolarHBondContact O-N 3.47Å
616	S	23	Very low	26.2	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	78%	0.781	S	S	*	*			trans	-42.3	146.6	157	53.6	0	0	0	0	113.1
617	M	23.5	Very low	26	Very low	149 Å²	149	144 Å²	144	73%	0.734	79%	0.792	S	S	*	*				166.6	126.8	118.4	-166	162	177.1	0	0	114.3
618	K	22.7	Very low	25.4	Very low	174 Å²	174	150.2 Å²	150.2	76%	0.757	81%	0.811	S	S	*	*			trans	71.1	106.4	144.9	-76.5	177	-175.3	178.1	0	122.7
619	R	21.5	Very low	25.2	Very low	245 Å²	245	151.2 Å²	151.2	93%	0.925	82%	0.816	S	S	*	*			trans	-27.8	132.3	139.2	-76.5	176.1	151.2	173.8	-6.6	114.8
620	R	24.1	Very low	25	Very low	245 Å²	245	150.9 Å²	150.9	93%	0.925	83%	0.825	S	S	*	*			trans	-127.8	117.1	159.4	-159.8	172.7	-176.4	168.5	-0.3	109.6
621	N	20.5	Very low	24.7	Very low	157 Å²	157	152 Å²	152	84%	0.84	83%	0.832	S	S	*	*			trans	-72.9	137.4	169.6	-85.5	-15.8	0	0	0	110.3
622	S	28.2	Very low	24.8	Very low	119 Å²	119	151.9 Å²	151.9	83%	0.832	83%	0.832	S	S	*	*			trans	-147	105.8	155.7	53.3	0	0	0	0	111.6
623	R	22.3	Very low	24.8	Very low	245 Å²	245	153.9 Å²	153.9	93%	0.925	83%	0.834	S	S	*	*			trans	-0.7	129.6	158.1	-69.6	172.4	172.5	170.3	-3.6	120.5
624	T	22.2	Very low	25.5	Very low	137 Å²	137	155.2 Å²	155.2	84%	0.84	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.6	145.6	155.9	47.4	0	0	0	0	113.5
625	P	25.8	Very low	25.9	Very low	128 Å²	128	158.7 Å²	158.7	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-101.6	138	153.3	16.8	1.7	0	0	0	111.8
626	S	21.8	Very low	26.3	Very low	112 Å²	112	162.6 Å²	162.6	78%	0.783	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.8	136.3	178.6	59.2	0	0	0	0	112.1
627	T	25.9	Very low	26.8	Very low	147 Å²	147	161.5 Å²	161.5	90%	0.902	83%	0.825	S	S	*	*			trans	-140.7	137.7	149.4	38.4	0	0	0	0	109.8
628	K	23.2	Very low	27.4	Very low	191 Å²	191	162.2 Å²	162.2	83%	0.83	83%	0.831	S	S	*	*			trans	-80.2	141.6	-174.4	-62.9	169.6	173.1	178.4	0	110.5
629	D	27.8	Very low	27.8	Very low	162 Å²	162	156.6 Å²	156.6	87%	0.866	82%	0.822	S	S	*	*				165.4	144.2	119.5	-82.2	-21.7	0	0	0	110.9
630	G	27.9	Very low	28.5	Very low	69 Å²	69	153 Å²	153	71%	0.711	81%	0.813	S	S	*	*			trans	95.8	70.1	153.3	0	0	0	0	0	118.8	L632	G630-L632 PolarHBondContact O-N 3.26Å; G630-L632 VanDerWaalsContact O-N 3.1Å
631	N	26.7	Very low	29.1	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	81%	0.806	S	S	*	*			trans	18.1	76	138.1	-148.5	35.4	0	0	0	119.5
632	L	32.5	Very low	30.2	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	80%	0.803	S	S	*	*			trans	-138.7	129.8	150	-101.2	100.6	0	0	0	108.1	G630 P634	G630-L632 PolarHBondContact O-N 3.26Å; G630-L632 VanDerWaalsContact O-N 3.1Å; L632-P634 WeakPolarHBondContact O-CD 3.36Å
633	N	29.3	Very low	31.4	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	79%	0.788	S	S	*	*			trans	-49.5	104.9	-179.8	-80.3	-33.9	0	0	0	111.7	R635	N633-R635 PolarHBondContact O-N 3.19Å
634	P	38.5	Very low	33.1	Very low	104 Å²	104	136.1 Å²	136.1	68%	0.675	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	35.1	-167.6	35.9	-32.1	0	0	0	112.4	L632	L632-P634 WeakPolarHBondContact O-CD 3.36Å
635	R	29.7	Very low	35.6	Very low	246 Å²	246	136 Å²	136	93%	0.928	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-0.4	176.2	-90.6	-172.2	169.6	138.2	-1.6	114.9	N633	N633-R635 PolarHBondContact O-N 3.19Å
636	K	34.4	Very low	38.2	Very low	192 Å²	192	130.7 Å²	130.7	84%	0.835	72%	0.716	S	S	*	*	S	Bend	trans	-119.4	-4.6	177.3	-77.4	-167.7	173.5	-170	0	116.3
637	S	34.8	Very low	41.1	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	70%	0.703	S	S	*	*	S	Bend	trans	-110.2	15	-175.3	70	0	0	0	0	115.6
638	L	35.2	Very low	44	Very low	164 Å²	164	126.9 Å²	126.9	86%	0.859	67%	0.67	S	S	*	*	S	Bend	trans	-115.3	4.9	175.3	-118.5	134.8	0	0	0	113.7
639	G	31.7	Very low	46.9	Very low	56 Å²	56	118.5 Å²	118.5	58%	0.577	64%	0.639	S	S	*	*	S	Bend	trans	-113.1	-2.4	177.1	0	0	0	0	0	115.4
640	F	35.4	Very low	49.5	Very low	168 Å²	168	119.8 Å²	119.8	74%	0.737	64%	0.639	S	S	*	*	S	Bend	trans	-107.8	5.6	-172.3	-127.3	-88.2	0	0	0	114.8	T643	F640-T643 PolarHBondContact O-OG1 3.19Å
641	V	37.9	Very low	52.3	Low	128 Å²	128	119.4 Å²	119.4	78%	0.776	62%	0.619	S	S	*	*	S	Bend	trans	-110.5	-4.1	177.9	-171.5	0	0	0	0	112.3
642	E	43.9	Very low	55.2	Low	168 Å²	168	113.6 Å²	113.6	79%	0.785	59%	0.589	S	S	*	*	S	Bend	trans	-87.7	-1.5	170.6	-83.5	-176.9	164.4	0	0	113.5
643	T	52	Low	58	Low	83 Å²	83	111.4 Å²	111.4	51%	0.509	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	-9.3	-171	51	0	0	0	0	115.2	H491 F640	H491-T643 PolarHBondContact CE1-O 3.34Å; H491-T643 PolarHBondContact ND1-O 3.29Å; F640-T643 PolarHBondContact O-OG1 3.19Å
644	G	59.4	Low	61	Low	33 Å²	33	104.1 Å²	104.1	34%	0.34	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	12.1	-174.3	0	0	0	0	0	115.9	S492	S492-G644 WeakPolarHBondContact CB-O 3.41Å; S492-G644 PolarHBondContact OG-O 3.15Å
645	Q	73.1	Confident	63.6	Low	136 Å²	136	101.8 Å²	101.8	64%	0.636	51%	0.51	S	S	*	.	S	Bend	trans	-83.5	141.4	177	-69.6	-173.2	9.6	0	0	111.1
646	P	80.2	Confident	66.5	Low	15 Å²	15	90 Å²	90	10%	0.097	47%	0.466	C	S	.	.			trans	-63	140.1	174.7	29.8	-35.8	0	0	0	109.7	G493 F495 V525 P584 L586	G493-P646 VanDerWaalsContact O-CA 3.3Å; G493-P646 WeakPolarHBondContact O-CA 3.45Å; F495-P646 HydrophobicContact CD2-CB 4.25Å; F495-P646 HydrophobicContact CE2-CB 3.64Å; V525-P646 HydrophobicContact CG1-CB 4.07Å; V525-P646 HydrophobicContact CG1-CG 4.2Å; V525-P646 HydrophobicContact CG2-CB 4.01Å; V525-P646 HydrophobicContact CG2-CG 4.12Å; P584-P646 HydrophobicContact CB-CB 3.97Å; P584-P646 HydrophobicContact CB-CG 4.28Å; P584-P646 HydrophobicContact CG-CB 3.99Å; P584-P646 HydrophobicContact CG-CG 4.43Å; L586-P646 HydrophobicContact CB-CG 4.01Å
647	R	83.2	Confident	69.1	Low	138 Å²	138	81.9 Å²	81.9	52%	0.521	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159.8	-178.7	60.2	179.2	175.3	178.9	0.2	111.4	G493 V494 F495	G493-R647 PolarHBondContact O-N 3.34Å; V494-R647 CarbonylContact C-O 3.58Å; V494-R647 VanDerWaalsContact CA-O 3.32Å; V494-R647 WeakPolarHBondContact CA-O 3.3Å; V494-R647 HydrophobicContact CB-CG 4.39Å; V494-R647 HydrophobicContact CG1-CG 4.27Å; V494-R647 HydrophobicContact CG2-CG 3.76Å; V494-R647 VanDerWaalsContact CG2-NE 3.34Å; F495-R647 PolarHBondContact N-O 2.91Å
648	L	87.3	Confident	71.5	Confident	41 Å²	41	78.3 Å²	78.3	22%	0.215	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.6	169.1	-73.5	176.3	0	0	0	110.6	L527 L581 G582 T652	L527-L648 HydrophobicContact CD1-CD2 3.95Å; L581-L648 HydrophobicContact CB-CD2 3.85Å; L581-L648 HydrophobicContact CD1-CD2 4.48Å; G582-L648 WeakPolarHBondContact O-CD2 3.14Å; L648-T652 HydrophobicContact CB-CG2 3.77Å; L648-T652 HydrophobicContact CD1-CG2 3.99Å; L648-T652 HydrophobicContact CD2-CG2 4.26Å; L648-T652 HydrophobicContact CG-CG2 4.22Å
649	G	84	Confident	73.6	Confident	16 Å²	16	72.1 Å²	72.1	17%	0.165	38%	0.375	C	S	.	.			trans	-80.6	-165.2	173.1	0	0	0	0	0	112.8	F495 T652	F495-G649 PolarHBondContact O-N 3Å; G649-T652 WeakPolarHBondContact O-CG2 3.5Å
650	Q	82.2	Confident	75.5	Confident	188 Å²	188	72.3 Å²	72.3	88%	0.879	36%	0.361	S	S	*	.	S	Bend	trans	-72.1	-34.6	-177.2	-62.8	-176.9	9	0	0	112.1	T652	Q650-T652 PolarHBondContact O-N 3.44Å
651	Q	86	Confident	77	Confident	61 Å²	61	65.4 Å²	65.4	29%	0.285	33%	0.334	S	S	.	.			trans	-101	83.1	-176.9	-71.2	173.4	10.2	0	0	111.3	Q496 F497 V500	Q496-Q651 WeakPolarHBondContact CA-O 3.36Å; Q496-Q651 HydrophobicContact CB-CB 4.28Å; F497-Q651 WeakPolarHBondContact CD2-O 3.43Å; F497-Q651 PolarHBondContact N-O 3.02Å; F497-Q651 PolarHBondContact O-OE1 2.98Å; V500-Q651 VanDerWaalsContact CG1-CD 3.44Å; V500-Q651 HydrophobicContact CG1-CG 3.92Å
652	T	88.6	Confident	78.3	Confident	44 Å²	44	64.2 Å²	64.2	27%	0.27	33%	0.327	S	S	.	.			trans	-90.7	-6.6	177.9	59.9	0	0	0	0	113.6	F497 Q580 L581 L648 G649 Q650	F497-T652 WeakPolarHBondContact CE2-O 3.17Å; Q580-T652 WeakPolarHBondContact CA-O 3.32Å; L581-T652 PolarHBondContact N-O 2.89Å; L648-T652 HydrophobicContact CB-CG2 3.77Å; L648-T652 HydrophobicContact CD1-CG2 3.99Å; L648-T652 HydrophobicContact CD2-CG2 4.26Å; L648-T652 HydrophobicContact CG-CG2 4.22Å; G649-T652 WeakPolarHBondContact O-CG2 3.5Å; Q650-T652 PolarHBondContact O-N 3.44Å
653	R	91.4	Very high	79.3	Confident	113 Å²	113	61.9 Å²	61.9	43%	0.426	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.7	179.9	-174.7	-178.7	-176.8	173.3	4.6	109.6	Y578 V579	Y578-R653 HydrophobicContact CD1-CG 3.99Å; Y578-R653 HydrophobicContact CG-CG 4.45Å; V579-R653 VanDerWaalsContact O-CA 3.32Å; V579-R653 WeakPolarHBondContact O-CA 3.4Å
654	I	92.2	Very high	80	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141	172.9	-173.5	172.2	0	0	0	109.3	F497 V499 V500 L502 I513 Y578 V579	F497-I654 HydrophobicContact CB-CB 4.18Å; F497-I654 HydrophobicContact CB-CD1 4.39Å; F497-I654 HydrophobicContact CD1-CB 4.17Å; F497-I654 HydrophobicContact CD1-CD1 4.47Å; F497-I654 HydrophobicContact CD1-CG2 3.86Å; F497-I654 HydrophobicContact CD2-CB 3.65Å; F497-I654 HydrophobicContact CD2-CG2 3.81Å; F497-I654 HydrophobicContact CE1-CG2 3.74Å; F497-I654 HydrophobicContact CE2-CB 4Å; F497-I654 HydrophobicContact CE2-CG2 3.66Å; F497-I654 HydrophobicContact CG-CB 3.73Å; F497-I654 HydrophobicContact CG-CD1 4.45Å; F497-I654 HydrophobicContact CG-CG2 3.89Å; F497-I654 HydrophobicContact CZ-CB 4.42Å; F497-I654 HydrophobicContact CZ-CG2 3.64Å; V499-I654 HydrophobicContact CG2-CD1 3.87Å; V499-I654 VanDerWaalsContact O-CD1 3.31Å; V499-I654 WeakPolarHBondContact O-CD1 3.47Å; V499-I654 WeakPolarHBondContact O-CG1 3.33Å; V500-I654 WeakPolarHBondContact O-CA 3.43Å; L502-I654 HydrophobicContact CB-CD1 3.87Å; L502-I654 HydrophobicContact CB-CG1 4.45Å; I513-I654 HydrophobicContact CG2-CD1 3.95Å; I513-I654 HydrophobicContact CG2-CG2 4.01Å; Y578-I654 VanDerWaalsContact CA-O 3.23Å; Y578-I654 WeakPolarHBondContact CA-O 3.47Å; V579-I654 HydrophobicContact CB-CG2 3.75Å; V579-I654 HydrophobicContact CG2-CG2 4.43Å; V579-I654 PolarHBondContact N-O 3.02Å; V579-I654 PolarHBondContact O-N 3.31Å
655	K	92.5	Very high	80.3	Confident	55 Å²	55	62.2 Å²	62.2	24%	0.239	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.5	170.5	-176.9	-171.8	174.2	-168.1	0	108.7	V500 D501 L502 Y576 Y578	V500-K655 PolarHBondContact O-N 3.42Å; D501-K655 CarbonylContact C-O 3.57Å; D501-K655 VanDerWaalsContact CA-O 3.31Å; D501-K655 WeakPolarHBondContact CA-O 3.5Å; D501-K655 VanDerWaalsContact OD1-CB 3.24Å; D501-K655 WeakPolarHBondContact OD1-CB 3.35Å; D501-K655 WeakPolarHBondContact OD1-CD 3.41Å; L502-K655 PolarHBondContact N-O 3.17Å; Y576-K655 HydrophobicContact CD2-CD 4.21Å; Y576-K655 HydrophobicContact CD2-CG 3.94Å; Y576-K655 HydrophobicContact CG-CD 4.26Å; Y576-K655 HydrophobicContact CG-CG 4.13Å; Y578-K655 HydrophobicContact CD1-CB 3.74Å; Y578-K655 HydrophobicContact CD1-CG 4.12Å; Y578-K655 HydrophobicContact CE1-CB 3.6Å; Y578-K655 HydrophobicContact CE1-CD 4.23Å; Y578-K655 HydrophobicContact CE1-CG 3.71Å
656	I	92	Very high	79.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.4	176.1	-62.1	151.2	0	0	0	106.8	L502 V504 A511 I513 Y576 F577 V579	L502-I656 HydrophobicContact CB-CG1 4.36Å; L502-I656 CarbonylContact O-C 3.58Å; L502-I656 VanDerWaalsContact O-CA 3.32Å; L502-I656 WeakPolarHBondContact O-CA 3.24Å; V504-I656 HydrophobicContact CG1-CG2 4.33Å; V504-I656 HydrophobicContact CG2-CG2 3.73Å; A511-I656 HydrophobicContact CB-CG2 4.44Å; I513-I656 HydrophobicContact CD1-CD1 3.52Å; I513-I656 HydrophobicContact CG1-CD1 3.72Å; I513-I656 HydrophobicContact CG1-CG1 4.27Å; Y576-I656 CarbonylContact C-O 3.54Å; Y576-I656 WeakPolarHBondContact CA-O 3.45Å; Y576-I656 VanDerWaalsContact CB-O 3.27Å; Y576-I656 WeakPolarHBondContact CB-O 3.42Å; F577-I656 HydrophobicContact CD1-CB 4.14Å; F577-I656 HydrophobicContact CD1-CG2 4.28Å; F577-I656 HydrophobicContact CD2-CD1 4.12Å; F577-I656 HydrophobicContact CE1-CB 3.73Å; F577-I656 HydrophobicContact CE1-CD1 4.3Å; F577-I656 HydrophobicContact CE1-CG2 3.5Å; F577-I656 HydrophobicContact CE2-CB 4.17Å; F577-I656 HydrophobicContact CE2-CD1 3.33Å; F577-I656 HydrophobicContact CE2-CG1 4.38Å; F577-I656 HydrophobicContact CZ-CB 3.76Å; F577-I656 HydrophobicContact CZ-CD1 3.45Å; F577-I656 VanDerWaalsContact CZ-CD1 3.45Å; F577-I656 HydrophobicContact CZ-CG1 4.23Å; F577-I656 HydrophobicContact CZ-CG2 3.68Å; F577-I656 PolarHBondContact N-O 2.9Å; F577-I656 PolarHBondContact O-N 3.48Å; V579-I656 HydrophobicContact CB-CD1 4.42Å; V579-I656 HydrophobicContact CG2-CD1 3.4Å; V579-I656 VanDerWaalsContact CG2-CD1 3.4Å
657	T	89.2	Confident	79.2	Confident	21 Å²	21	60.3 Å²	60.3	13%	0.129	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.9	176.5	-53.4	0	0	0	0	108.3	L502 T503 V504 E575 T659	L502-T657 PolarHBondContact O-N 3.44Å; T503-T657 WeakPolarHBondContact CA-O 3.31Å; V504-T657 PolarHBondContact N-O 3.19Å; E575-T657 CarbonylContact O-C 3.59Å; E575-T657 WeakPolarHBondContact O-CA 3.17Å; T657-T659 HydrophobicContact CG2-CG2 4.07Å
658	I	85.2	Confident	78.5	Confident	14 Å²	14	53.8 Å²	53.8	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.8	171.4	-55.4	171.2	0	0	0	106.8	V504 E506 A536 V565 S574 E575 F577	V504-I658 HydrophobicContact CG2-CG1 4.24Å; E506-I658 HydrophobicContact CB-CG2 3.93Å; E506-I658 HydrophobicContact CG-CG2 3.92Å; A536-I658 HydrophobicContact CB-CD1 4.31Å; V565-I658 HydrophobicContact CG1-CD1 4.05Å; V565-I658 HydrophobicContact CG1-CG1 4.35Å; V565-I658 HydrophobicContact CG1-CG2 4.36Å; S574-I658 WeakPolarHBondContact CA-O 3.38Å; E575-I658 PolarHBondContact N-O 3.27Å; E575-I658 PolarHBondContact O-N 3.05Å; F577-I658 HydrophobicContact CD1-CD1 4.13Å; F577-I658 HydrophobicContact CD1-CG1 4.39Å; F577-I658 HydrophobicContact CE1-CD1 4.06Å; F577-I658 HydrophobicContact CE1-CG1 4.16Å
659	T	79	Confident	77.3	Confident	35 Å²	35	53.9 Å²	53.9	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158	178.1	53.2	0	0	0	0	110.1	T503 V504 S505 E506 T657	T503-T659 HydrophobicContact CG2-CG2 3.38Å; T503-T659 WeakPolarHBondContact CG2-OG1 3.32Å; V504-T659 PolarHBondContact O-N 2.93Å; V504-T659 PolarHBondContact O-OG1 3.03Å; S505-T659 CarbonylContact C-O 3.5Å; S505-T659 WeakPolarHBondContact CA-O 3.41Å; E506-T659 PolarHBondContact N-O 3.43Å; T657-T659 HydrophobicContact CG2-CG2 4.07Å
660	E	70.9	Confident	76.4	Confident	59 Å²	59	56.9 Å²	56.9	28%	0.276	28%	0.277	S	S	.	.			trans	-57.5	149.5	174.4	-175.7	178.6	-154.1	0	0	111.7	Y571 T662 F664	Y571-E660 WeakPolarHBondContact CD2-OE1 3.15Å; Y571-E660 WeakPolarHBondContact CE2-OE1 3.44Å; Y571-E660 WeakPolarHBondContact CE2-OE2 3.44Å; E660-T662 PolarHBondContact O-N 3.22Å; E660-F664 HydrophobicContact CG-CD1 4.1Å; E660-F664 WeakPolarHBondContact OE1-CD1 3.24Å; E660-F664 WeakPolarHBondContact OE1-CE1 3.08Å
661	S	67.9	Low	75.6	Confident	23 Å²	23	48 Å²	48	16%	0.161	24%	0.235	C	C	.	.			trans	-55	123.7	171.5	171.2	0	0	0	0	111.3	S505 E663 F664 K665	S505-S661 VanDerWaalsContact OG-CA 3.28Å; S505-S661 WeakPolarHBondContact OG-CA 3.22Å; S661-E663 PolarHBondContact O-N 3.18Å; S661-E663 PolarHBondContact OG-N 2.79Å; S661-F664 PolarHBondContact O-N 2.88Å; S661-F664 VanDerWaalsContact O-N 3.15Å; S661-F664 PolarHBondContact OG-N 2.76Å; S661-K665 PolarHBondContact O-N 3.44Å
662	T	65	Low	74.5	Confident	103 Å²	103	46.1 Å²	46.1	63%	0.632	23%	0.228	S	C	*	.	H	α-helix	trans	-60.3	-33.9	175.9	51.7	0	0	0	0	111.7	E660 N666	E660-T662 PolarHBondContact O-N 3.22Å; T662-N666 VanDerWaalsContact O-CB 3.3Å; T662-N666 WeakPolarHBondContact O-CB 3.33Å; T662-N666 PolarHBondContact O-N 3.03Å; T662-N666 PolarHBondContact O-ND2 3.05Å
663	E	64.4	Low	73	Confident	120 Å²	120	51.8 Å²	51.8	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-63	-49.1	174.1	-172.3	-176.6	179.5	0	0	110.7	M309 S661 N666 T667	M309-E663 HydrophobicContact CE-CG 4.32Å; S661-E663 PolarHBondContact O-N 3.18Å; S661-E663 PolarHBondContact OG-N 2.79Å; E663-N666 PolarHBondContact O-N 3.43Å; E663-T667 WeakPolarHBondContact O-CB 3.27Å; E663-T667 PolarHBondContact O-N 3.33Å; E663-T667 PolarHBondContact O-OG1 3.38Å
664	F	67.2	Low	71.3	Confident	19 Å²	19	48.1 Å²	48.1	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-45.7	177.9	-178.8	-85.2	0	0	0	111.6	V294 I297 E660 S661 N666 T667 V668	V294-F664 HydrophobicContact CG1-CE1 4.43Å; V294-F664 HydrophobicContact CG1-CZ 4.29Å; V294-F664 HydrophobicContact CG2-CE1 4.01Å; V294-F664 HydrophobicContact CG2-CZ 4.32Å; I297-F664 HydrophobicContact CB-CE2 3.91Å; I297-F664 HydrophobicContact CB-CZ 4.22Å; I297-F664 HydrophobicContact CD1-CE2 3.93Å; I297-F664 HydrophobicContact CD1-CZ 4.06Å; I297-F664 HydrophobicContact CG2-CD2 4.24Å; I297-F664 HydrophobicContact CG2-CE2 3.4Å; I297-F664 HydrophobicContact CG2-CZ 4.19Å; E660-F664 HydrophobicContact CG-CD1 4.1Å; E660-F664 WeakPolarHBondContact OE1-CD1 3.24Å; E660-F664 WeakPolarHBondContact OE1-CE1 3.08Å; S661-F664 PolarHBondContact O-N 2.88Å; S661-F664 VanDerWaalsContact O-N 3.15Å; S661-F664 PolarHBondContact OG-N 2.76Å; F664-N666 PolarHBondContact O-N 2.75Å; F664-T667 WeakPolarHBondContact O-CB 3.42Å; F664-T667 PolarHBondContact O-N 3.35Å; F664-V668 HydrophobicContact CD1-CG2 3.96Å; F664-V668 HydrophobicContact CE1-CG2 3.64Å; F664-V668 HydrophobicContact CZ-CG2 4.07Å; F664-V668 WeakPolarHBondContact O-CG2 3.18Å; F664-V668 PolarHBondContact O-N 2.78Å
665	K	64.5	Low	69.4	Low	103 Å²	103	49 Å²	49	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-47.6	175.9	-179.3	-179.9	175.5	-179.4	0	111.7	S661 T667 V668 D669	S661-K665 PolarHBondContact O-N 3.44Å; K665-T667 VanDerWaalsContact C-N 3.31Å; K665-T667 PolarHBondContact O-N 3.08Å; K665-V668 PolarHBondContact O-N 3.05Å; K665-D669 WeakPolarHBondContact O-CB 3.37Å; K665-D669 VanDerWaalsContact O-CG 3.24Å; K665-D669 PolarHBondContact O-N 3.37Å
666	N	64.9	Low	67.5	Low	104 Å²	104	47.6 Å²	47.6	56%	0.556	24%	0.242	S	C	*	.	H	α-helix	trans	-63.4	-37.5	178	-73.4	-21.9	0	0	0	111.9	T662 E663 F664 D669 R670	T662-N666 VanDerWaalsContact O-CB 3.3Å; T662-N666 WeakPolarHBondContact O-CB 3.33Å; T662-N666 PolarHBondContact O-N 3.03Å; T662-N666 PolarHBondContact O-ND2 3.05Å; E663-N666 PolarHBondContact O-N 3.43Å; F664-N666 PolarHBondContact O-N 2.75Å; N666-D669 PolarHBondContact O-N 2.82Å; N666-R670 VanDerWaalsContact O-CB 3.31Å; N666-R670 WeakPolarHBondContact O-CB 3.48Å; N666-R670 PolarHBondContact O-N 3.36Å
667	T	66.6	Low	65.5	Low	7 Å²	7	48.4 Å²	48.4	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-46	173.4	-78.1	0	0	0	0	112	M309 E313 E663 F664 K665 D669 R670 L671	M309-T667 VanDerWaalsContact CE-CB 3.49Å; M309-T667 HydrophobicContact CE-CG2 3.65Å; M309-T667 WeakPolarHBondContact CE-OG1 3.42Å; E313-T667 HydrophobicContact CG-CG2 3.45Å; E313-T667 VanDerWaalsContact CG-CG2 3.45Å; E313-T667 WeakPolarHBondContact OE1-CB 3.36Å; E313-T667 WeakPolarHBondContact OE1-CG2 3.35Å; E313-T667 PolarHBondContact OE1-OG1 3.36Å; E663-T667 WeakPolarHBondContact O-CB 3.27Å; E663-T667 PolarHBondContact O-N 3.33Å; E663-T667 PolarHBondContact O-OG1 3.38Å; F664-T667 WeakPolarHBondContact O-CB 3.42Å; F664-T667 PolarHBondContact O-N 3.35Å; K665-T667 VanDerWaalsContact C-N 3.31Å; K665-T667 PolarHBondContact O-N 3.08Å; T667-D669 VanDerWaalsContact C-N 3.35Å; T667-D669 PolarHBondContact O-N 3.4Å; T667-R670 WeakPolarHBondContact O-CB 3.49Å; T667-R670 PolarHBondContact O-N 2.67Å; T667-L671 HydrophobicContact CG2-CD1 3.95Å; T667-L671 HydrophobicContact CG2-CG 4.32Å; T667-L671 WeakPolarHBondContact O-CB 3.38Å; T667-L671 WeakPolarHBondContact O-CG 3.35Å; T667-L671 PolarHBondContact O-N 2.86Å
668	V	66.7	Low	63.6	Low	1 Å²	1	48 Å²	48	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-44.4	176.1	173.3	0	0	0	0	110.5	R290 V294 I297 F664 K665 R670 L671 V672	R290-V668 HydrophobicContact CB-CG1 4.34Å; V294-V668 HydrophobicContact CG2-CG1 4.1Å; V294-V668 HydrophobicContact CG2-CG2 3.98Å; I297-V668 HydrophobicContact CD1-CG2 3.81Å; F664-V668 HydrophobicContact CD1-CG2 3.96Å; F664-V668 HydrophobicContact CE1-CG2 3.64Å; F664-V668 HydrophobicContact CZ-CG2 4.07Å; F664-V668 WeakPolarHBondContact O-CG2 3.18Å; F664-V668 PolarHBondContact O-N 2.78Å; K665-V668 PolarHBondContact O-N 3.05Å; V668-R670 VanDerWaalsContact C-N 3.28Å; V668-R670 PolarHBondContact O-N 2.84Å; V668-L671 PolarHBondContact O-N 2.91Å; V668-V672 HydrophobicContact CG1-CG2 4.2Å; V668-V672 WeakPolarHBondContact O-CB 3.22Å; V668-V672 WeakPolarHBondContact O-CG2 3.46Å; V668-V672 PolarHBondContact O-N 3.07Å
669	D	63.7	Low	62	Low	43 Å²	43	50.9 Å²	50.9	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-41.1	175.6	-72.3	13.4	0	0	0	111.9	R290 K665 N666 T667 K673	R290-D669 IonicContact CZ-OD1 2.77Å; R290-D669 IonicContact NH1-OD1 3.83Å; R290-D669 PolarHBondContact NH1-OD1 2.88Å; R290-D669 IonicContact NH2-OD1 3.42Å; R290-D669 PolarHBondContact NH2-OD1 3.03Å; K665-D669 WeakPolarHBondContact O-CB 3.37Å; K665-D669 VanDerWaalsContact O-CG 3.24Å; K665-D669 PolarHBondContact O-N 3.37Å; N666-D669 PolarHBondContact O-N 2.82Å; T667-D669 VanDerWaalsContact C-N 3.35Å; T667-D669 PolarHBondContact O-N 3.4Å; D669-K673 VanDerWaalsContact O-CG 3.32Å; D669-K673 WeakPolarHBondContact O-CG 3.33Å; D669-K673 PolarHBondContact O-N 3.42Å
670	R	64.2	Low	61	Low	80 Å²	80	49.7 Å²	49.7	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-49.7	175.9	175.7	170.4	69.4	-167.5	-6	111.3	E313 N666 T667 V668 V672 K673 Q674	E313-R670 IonicContact OE1-CZ 3.93Å; E313-R670 IonicContact OE1-NH2 2.67Å; E313-R670 PolarHBondContact OE1-NH2 3.44Å; E313-R670 IonicContact OE2-CZ 3.99Å; E313-R670 IonicContact OE2-NE 2.8Å; E313-R670 IonicContact OE2-NH2 3.84Å; E313-R670 PolarHBondContact OE2-NH2 3.15Å; N666-R670 VanDerWaalsContact O-CB 3.31Å; N666-R670 WeakPolarHBondContact O-CB 3.48Å; N666-R670 PolarHBondContact O-N 3.36Å; T667-R670 WeakPolarHBondContact O-CB 3.49Å; T667-R670 PolarHBondContact O-N 2.67Å; V668-R670 VanDerWaalsContact C-N 3.28Å; V668-R670 PolarHBondContact O-N 2.84Å; R670-V672 VanDerWaalsContact C-N 3.34Å; R670-V672 PolarHBondContact O-N 3.41Å; R670-K673 WeakPolarHBondContact O-CB 3.49Å; R670-K673 PolarHBondContact O-N 3.35Å; R670-K673 VanDerWaalsContact O-N 3.13Å; R670-Q674 HydrophobicContact CG-CG 4.29Å; R670-Q674 WeakPolarHBondContact O-CB 3.5Å; R670-Q674 VanDerWaalsContact O-CG 3.3Å; R670-Q674 WeakPolarHBondContact O-CG 3.22Å; R670-Q674 PolarHBondContact O-N 2.67Å
671	L	64.7	Low	60.6	Low	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-41.2	-178.6	-75.7	176.5	0	0	0	112.3	Y293 I297 E313 A316 Q317 T667 V668 K673 Q674 G675	Y293-L671 HydrophobicContact CD1-CB 3.79Å; Y293-L671 HydrophobicContact CD1-CD1 3.89Å; Y293-L671 HydrophobicContact CD1-CG 4.41Å; Y293-L671 HydrophobicContact CE1-CB 3.76Å; Y293-L671 HydrophobicContact CE1-CD1 4.31Å; Y293-L671 HydrophobicContact CE1-CG 4.45Å; Y293-L671 HydrophobicContact CG-CB 4.28Å; I297-L671 HydrophobicContact CD1-CD1 4.19Å; E313-L671 HydrophobicContact CB-CD1 4.48Å; E313-L671 HydrophobicContact CB-CD2 4.12Å; E313-L671 HydrophobicContact CG-CD1 4.21Å; E313-L671 HydrophobicContact CG-CD2 4.43Å; E313-L671 HydrophobicContact CG-CG 4.47Å; A316-L671 HydrophobicContact CB-CD1 4.29Å; Q317-L671 HydrophobicContact CB-CD2 4.34Å; T667-L671 HydrophobicContact CG2-CD1 3.95Å; T667-L671 HydrophobicContact CG2-CG 4.32Å; T667-L671 WeakPolarHBondContact O-CB 3.38Å; T667-L671 WeakPolarHBondContact O-CG 3.35Å; T667-L671 PolarHBondContact O-N 2.86Å; V668-L671 PolarHBondContact O-N 2.91Å; L671-K673 VanDerWaalsContact C-N 3.26Å; L671-K673 PolarHBondContact O-N 3.5Å; L671-Q674 PolarHBondContact O-N 3.38Å; L671-G675 PolarHBondContact O-N 3.2Å
672	V	63	Low	60.4	Low	23 Å²	23	45.8 Å²	45.8	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-33.9	177.1	174.1	0	0	0	0	111.3	F286 R290 Y293 V668 R670	F286-V672 HydrophobicContact CD2-CG1 3.79Å; F286-V672 HydrophobicContact CE2-CG1 3.33Å; F286-V672 HydrophobicContact CZ-CG1 3.93Å; R290-V672 HydrophobicContact CB-CG2 4.36Å; R290-V672 HydrophobicContact CG-CG1 4.38Å; R290-V672 HydrophobicContact CG-CG2 3.84Å; Y293-V672 HydrophobicContact CD2-CG2 3.54Å; Y293-V672 HydrophobicContact CE2-CG2 4.04Å; Y293-V672 HydrophobicContact CG-CG2 4.34Å; V668-V672 HydrophobicContact CG1-CG2 4.2Å; V668-V672 WeakPolarHBondContact O-CB 3.22Å; V668-V672 WeakPolarHBondContact O-CG2 3.46Å; V668-V672 PolarHBondContact O-N 3.07Å; R670-V672 VanDerWaalsContact C-N 3.34Å; R670-V672 PolarHBondContact O-N 3.41Å
673	K	58.1	Low	60.8	Low	163 Å²	163	41 Å²	41	71%	0.709	20%	0.203	S	C	*	.	H	α-helix	trans	-75.5	-23	173.6	-71.3	174.6	-179	177.8	0	113.4	D669 R670 L671	D669-K673 VanDerWaalsContact O-CG 3.32Å; D669-K673 WeakPolarHBondContact O-CG 3.33Å; D669-K673 PolarHBondContact O-N 3.42Å; R670-K673 WeakPolarHBondContact O-CB 3.49Å; R670-K673 PolarHBondContact O-N 3.35Å; R670-K673 VanDerWaalsContact O-N 3.13Å; L671-K673 VanDerWaalsContact C-N 3.26Å; L671-K673 PolarHBondContact O-N 3.5Å
674	Q	56.6	Low	61.4	Low	36 Å²	36	37.6 Å²	37.6	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-97.8	-17.4	-174.7	-73.8	177	-22	0	0	114.3	R670 L671 T676	R670-Q674 HydrophobicContact CG-CG 4.29Å; R670-Q674 WeakPolarHBondContact O-CB 3.5Å; R670-Q674 VanDerWaalsContact O-CG 3.3Å; R670-Q674 WeakPolarHBondContact O-CG 3.22Å; R670-Q674 PolarHBondContact O-N 2.67Å; L671-Q674 PolarHBondContact O-N 3.38Å; Q674-T676 PolarHBondContact O-N 3Å
675	G	51.5	Low	62.3	Low	19 Å²	19	38.6 Å²	38.6	20%	0.196	20%	0.201	C	C	.	.			trans	-89.8	102.6	-167.6	0	0	0	0	0	116.2	Y293 L671	Y293-G675 WeakPolarHBondContact OH-CA 3.28Å; L671-G675 PolarHBondContact O-N 3.2Å
676	T	53.2	Low	63.4	Low	26 Å²	26	39.8 Å²	39.8	16%	0.16	20%	0.203	C	C	.	.			trans	-142.2	131.3	161.8	-39.7	0	0	0	0	113.6	E92 Q674 A678 L679	E92-T676 WeakPolarHBondContact OE1-CG2 3.35Å; E92-T676 PolarHBondContact OE1-OG1 2.95Å; Q674-T676 PolarHBondContact O-N 3Å; T676-A678 HydrophobicContact CG2-CB 3.82Å; T676-A678 PolarHBondContact O-N 3.09Å; T676-A678 VanDerWaalsContact O-N 3.15Å; T676-L679 WeakPolarHBondContact O-CB 3.3Å; T676-L679 PolarHBondContact O-N 3.03Å
677	L	49.6	Very low	64.5	Low	18 Å²	18	42.5 Å²	42.5	9%	0.094	21%	0.21	C	C	.	.	H	α-helix	trans	-51.2	-35.4	177.5	-144.3	116.8	0	0	0	113.5	L321 Y330 L679 V680 V681	L321-L677 HydrophobicContact CD2-CB 4.19Å; L321-L677 HydrophobicContact CD2-CD1 4.2Å; L321-L677 HydrophobicContact CD2-CG 4.42Å; L321-L677 WeakPolarHBondContact O-CD1 3.45Å; Y330-L677 HydrophobicContact CD2-CD2 4.35Å; L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 3.39Å; L677-V680 PolarHBondContact O-N 3.27Å; L677-V680 VanDerWaalsContact O-N 3.09Å; L677-V681 PolarHBondContact O-N 3.1Å
678	A	49.2	Very low	65.3	Low	11 Å²	11	42.8 Å²	42.8	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-48.1	-46.1	173.5	0	0	0	0	0	114.2	S90 T676 V680	S90-A678 WeakPolarHBondContact OG-CB 3.41Å; T676-A678 HydrophobicContact CG2-CB 3.82Å; T676-A678 PolarHBondContact O-N 3.09Å; T676-A678 VanDerWaalsContact O-N 3.15Å; A678-V680 VanDerWaalsContact C-N 3.25Å; A678-V680 PolarHBondContact O-N 3.38Å
679	L	52	Low	66.3	Low	76 Å²	76	42.8 Å²	42.8	40%	0.398	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-30.3	-177.4	-110.9	93.5	0	0	0	111	R354 T676 L677	R354-L679 VanDerWaalsContact NH1-CD2 3.33Å; R354-L679 PolarHBondContact NH1-O 3.49Å; R354-L679 PolarHBondContact NH2-O 3.09Å; T676-L679 WeakPolarHBondContact O-CB 3.3Å; T676-L679 PolarHBondContact O-N 3.03Å; L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 3.39Å
680	V	58	Low	67.6	Low	9 Å²	9	43.5 Å²	43.5	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-86.2	-26	-173.3	-173.1	0	0	0	0	112.3	L321 I346 K350 V351 L677 A678	L321-V680 HydrophobicContact CD1-CG2 3.88Å; I346-V680 HydrophobicContact CB-CG1 4.23Å; I346-V680 HydrophobicContact CG1-CG1 3.91Å; I346-V680 HydrophobicContact CG2-CG1 4.03Å; K350-V680 HydrophobicContact CD-CG1 4.5Å; K350-V680 WeakPolarHBondContact CD-O 3.35Å; K350-V680 WeakPolarHBondContact CE-O 3.48Å; K350-V680 PolarHBondContact NZ-O 3.04Å; V351-V680 HydrophobicContact CG2-CG1 3.87Å; V351-V680 HydrophobicContact CG2-CG2 3.97Å; L677-V680 PolarHBondContact O-N 3.27Å; L677-V680 VanDerWaalsContact O-N 3.09Å; A678-V680 VanDerWaalsContact C-N 3.25Å; A678-V680 PolarHBondContact O-N 3.38Å
681	V	61.2	Low	68.7	Low	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-70.3	-42.5	178.6	170	0	0	0	0	111.7	A83 E86 M333 V345 K350 L677	A83-V681 HydrophobicContact CB-CG1 4.26Å; E86-V681 HydrophobicContact CB-CG1 4.25Å; E86-V681 HydrophobicContact CG-CB 4.33Å; E86-V681 HydrophobicContact CG-CG1 4.15Å; E86-V681 HydrophobicContact CG-CG2 4.33Å; M333-V681 HydrophobicContact CE-CB 4.25Å; M333-V681 HydrophobicContact CE-CG1 3.2Å; M333-V681 HydrophobicContact CE-CG2 4.01Å; M333-V681 HydrophobicContact SD-CG1 3.52Å; M333-V681 VanDerWaalsContact SD-CG1 3.52Å; V345-V681 HydrophobicContact CG1-CG2 4Å; K350-V681 PolarHBondContact NZ-O 3.31Å; L677-V681 PolarHBondContact O-N 3.1Å
682	G	64.1	Low	69.6	Low	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-66.7	147	-172.4	0	0	0	0	0	114.8	K350 T735	K350-G682 WeakPolarHBondContact CE-O 3.31Å; K350-G682 PolarHBondContact NZ-O 3.1Å; G682-T735 VanDerWaalsContact C-OG1 3.27Å; G682-T735 WeakPolarHBondContact CA-OG1 3.44Å
683	T	74.2	Confident	70.7	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	22%	0.22	C	C	.	.			trans	-91.8	138.1	169.1	49.3	0	0	0	0	110.8	R80 Q689 P734 T735 D736	R80-T683 VanDerWaalsContact NH1-CG2 3.33Å; T683-Q689 HydrophobicContact CG2-CG 4.08Å; T683-Q689 PolarHBondContact OG1-NE2 2.9Å; T683-P734 VanDerWaalsContact O-CB 3.23Å; T683-P734 WeakPolarHBondContact O-CB 3.47Å; T683-T735 PolarHBondContact N-OG1 2.9Å; T683-T735 PolarHBondContact O-N 2.96Å; T683-T735 VanDerWaalsContact O-N 3.15Å; T683-T735 PolarHBondContact O-OG1 3.3Å; T683-D736 PolarHBondContact O-N 3.17Å
684	S	76.5	Confident	72.1	Confident	47 Å²	47	41.5 Å²	41.5	33%	0.329	21%	0.212	S	C	.	.			trans	-97.1	-29.6	-171.9	63.4	0	0	0	0	113.9	E688 D736	S684-E688 PolarHBondContact N-OE2 3.2Å; S684-E688 PolarHBondContact OG-OE2 2.89Å; S684-D736 WeakPolarHBondContact CA-OD2 3.46Å; S684-D736 WeakPolarHBondContact CB-OD2 3.41Å
685	S	85.1	Confident	73.5	Confident	40 Å²	40	42.4 Å²	42.4	28%	0.28	22%	0.22	S	C	.	.			trans	-148	151.6	-174.3	64	0	0	0	0	112.1	K687 E688 Q689	S685-K687 PolarHBondContact O-N 3.5Å; S685-E688 WeakPolarHBondContact O-CB 3.37Å; S685-E688 PolarHBondContact O-N 3.5Å; S685-E688 VanDerWaalsContact O-N 3.1Å; S685-E688 WeakPolarHBondContact OG-CB 3.47Å; S685-E688 PolarHBondContact OG-N 3.02Å; S685-Q689 PolarHBondContact O-N 3.46Å
686	W	89.5	Confident	75	Confident	129 Å²	129	43.2 Å²	43.2	49%	0.489	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-37.7	172.2	-77.1	-46.7	0	0	0	112.1	E688 Q689 F690 P734	W686-E688 VanDerWaalsContact C-N 3.26Å; W686-E688 PolarHBondContact O-N 2.9Å; W686-Q689 WeakPolarHBondContact O-CB 3.43Å; W686-Q689 PolarHBondContact O-N 3.3Å; W686-F690 HydrophobicContact CB-CD2 4.38Å; W686-F690 HydrophobicContact CB-CE2 4.42Å; W686-F690 VanDerWaalsContact O-CD2 3.26Å; W686-F690 WeakPolarHBondContact O-CD2 3.19Å; W686-F690 PolarHBondContact O-N 2.69Å; W686-P734 HydrophobicContact CG-CG 4.34Å
687	K	86.6	Confident	75.9	Confident	161 Å²	161	43.4 Å²	43.4	70%	0.7	22%	0.224	S	C	*	.	H	α-helix	trans	-53.9	-45.7	175.6	-178.1	-178.9	177	-176.8	0	111.2	S685 Q689 F690 I691	S685-K687 PolarHBondContact O-N 3.5Å; K687-Q689 VanDerWaalsContact C-N 3.35Å; K687-F690 PolarHBondContact O-N 3.32Å; K687-I691 HydrophobicContact CG-CD1 3.88Å; K687-I691 WeakPolarHBondContact O-CD1 3.34Å; K687-I691 WeakPolarHBondContact O-CG1 3.31Å; K687-I691 PolarHBondContact O-N 3.5Å
688	E	83.6	Confident	76.8	Confident	13 Å²	13	43.5 Å²	43.5	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.7	-173.9	-179.5	-170.5	0	0	111.3	K350 S684 S685 W686 F690 I691 E692	K350-E688 WeakPolarHBondContact CE-OE1 3.45Å; K350-E688 IonicContact NZ-OE1 3.72Å; S684-E688 PolarHBondContact N-OE2 3.2Å; S684-E688 PolarHBondContact OG-OE2 2.89Å; S685-E688 WeakPolarHBondContact O-CB 3.37Å; S685-E688 PolarHBondContact O-N 3.5Å; S685-E688 VanDerWaalsContact O-N 3.1Å; S685-E688 WeakPolarHBondContact OG-CB 3.47Å; S685-E688 PolarHBondContact OG-N 3.02Å; W686-E688 VanDerWaalsContact C-N 3.26Å; W686-E688 PolarHBondContact O-N 2.9Å; E688-F690 PolarHBondContact O-N 3.24Å; E688-I691 PolarHBondContact O-N 3.47Å; E688-E692 WeakPolarHBondContact O-CB 3.48Å; E688-E692 WeakPolarHBondContact O-CG 3.27Å; E688-E692 PolarHBondContact O-N 3.32Å
689	Q	88.8	Confident	77.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-42.1	180	-60.4	-176.2	-38.6	0	0	113	T683 S685 W686 K687 E692 A693 A730 V732	T683-Q689 HydrophobicContact CG2-CG 4.08Å; T683-Q689 PolarHBondContact OG1-NE2 2.9Å; S685-Q689 PolarHBondContact O-N 3.46Å; W686-Q689 WeakPolarHBondContact O-CB 3.43Å; W686-Q689 PolarHBondContact O-N 3.3Å; K687-Q689 VanDerWaalsContact C-N 3.35Å; Q689-E692 PolarHBondContact O-N 2.82Å; Q689-A693 VanDerWaalsContact O-CB 3.28Å; Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.8Å; Q689-A730 HydrophobicContact CB-CB 4.28Å; Q689-A730 PolarHBondContact OE1-O 3.05Å; Q689-A730 VanDerWaalsContact OE1-O 3.05Å; Q689-V732 PolarHBondContact NE2-O 3.37Å; Q689-V732 PolarHBondContact OE1-O 2.88Å
690	F	91.1	Very high	77.3	Confident	58 Å²	58	41.6 Å²	41.6	25%	0.254	23%	0.227	S	C	.	.	H	α-helix	trans	-67.5	-38.8	176.3	-82.1	-75.9	0	0	0	112.2	W686 K687 E688 A693 I694 V727 A730 F731	W686-F690 HydrophobicContact CB-CD2 4.38Å; W686-F690 HydrophobicContact CB-CE2 4.42Å; W686-F690 VanDerWaalsContact O-CD2 3.26Å; W686-F690 WeakPolarHBondContact O-CD2 3.19Å; W686-F690 PolarHBondContact O-N 2.69Å; K687-F690 PolarHBondContact O-N 3.32Å; E688-F690 PolarHBondContact O-N 3.24Å; F690-A693 PolarHBondContact O-N 3.26Å; F690-I694 WeakPolarHBondContact O-CD1 2.91Å; F690-I694 WeakPolarHBondContact O-CG1 3.43Å; F690-I694 PolarHBondContact O-N 3.43Å; F690-V727 HydrophobicContact CE1-CG1 4.46Å; F690-A730 HydrophobicContact CD1-CB 3.89Å; F690-A730 HydrophobicContact CD2-CB 4.38Å; F690-A730 HydrophobicContact CE1-CB 3.87Å; F690-A730 HydrophobicContact CE2-CB 4.35Å; F690-A730 HydrophobicContact CG-CB 4.14Å; F690-A730 HydrophobicContact CZ-CB 4.1Å; F690-F731 HydrophobicContact CE1-CD2 4.44Å; F690-F731 AromaticContact CE1-CE2 3.99Å; F690-F731 HydrophobicContact CE1-CE2 3.99Å; F690-F731 HydrophobicContact CE1-CZ 4.14Å; F690-F731 HydrophobicContact CZ-CD1 4.07Å; F690-F731 HydrophobicContact CZ-CD2 4.03Å; F690-F731 AromaticContact CZ-CE1 3.85Å; F690-F731 HydrophobicContact CZ-CE1 3.85Å; F690-F731 AromaticContact CZ-CE2 3.81Å; F690-F731 HydrophobicContact CZ-CE2 3.81Å; F690-F731 HydrophobicContact CZ-CG 4.16Å; F690-F731 AromaticContact CZ-CZ 3.72Å; F690-F731 HydrophobicContact CZ-CZ 3.72Å
691	I	87	Confident	76.8	Confident	89 Å²	89	46.2 Å²	46.2	46%	0.456	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-51.2	174.4	-68.3	167.1	0	0	0	109.3	K687 E688 A693 I694 T695	K687-I691 HydrophobicContact CG-CD1 3.88Å; K687-I691 WeakPolarHBondContact O-CD1 3.34Å; K687-I691 WeakPolarHBondContact O-CG1 3.31Å; K687-I691 PolarHBondContact O-N 3.5Å; E688-I691 PolarHBondContact O-N 3.47Å; I691-A693 PolarHBondContact O-N 2.76Å; I691-I694 PolarHBondContact O-N 3.05Å; I691-I694 VanDerWaalsContact O-N 3.17Å; I691-T695 HydrophobicContact CG2-CG2 3.91Å; I691-T695 WeakPolarHBondContact O-CB 3.49Å; I691-T695 VanDerWaalsContact O-CG2 3.28Å; I691-T695 WeakPolarHBondContact O-CG2 3.4Å; I691-T695 PolarHBondContact O-N 2.81Å; I691-T695 PolarHBondContact O-OG1 2.86Å
692	E	83.3	Confident	76.1	Confident	22 Å²	22	48.9 Å²	48.9	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-37.3	176.9	-74.8	-177	157.2	0	0	112.9	R80 E688 Q689	R80-E692 IonicContact CZ-OE2 3.42Å; R80-E692 IonicContact NH1-OE2 2.83Å; R80-E692 IonicContact NH2-OE2 3.53Å; R80-E692 PolarHBondContact NH2-OE2 3.45Å; E688-E692 WeakPolarHBondContact O-CB 3.48Å; E688-E692 WeakPolarHBondContact O-CG 3.27Å; E688-E692 PolarHBondContact O-N 3.32Å; Q689-E692 PolarHBondContact O-N 2.82Å
693	A	86.6	Confident	75.2	Confident	6 Å²	6	54.4 Å²	54.4	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-33.6	-179.6	0	0	0	0	0	113.2	Q689 F690 I691 H719 K726 A730	Q689-A693 VanDerWaalsContact O-CB 3.28Å; Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.8Å; F690-A693 PolarHBondContact O-N 3.26Å; I691-A693 PolarHBondContact O-N 2.76Å; A693-H719 PolarHBondContact O-CE1 3.09Å; A693-H719 VanDerWaalsContact O-CE1 3.24Å; A693-K726 HydrophobicContact CB-CB 3.93Å; A693-A730 HydrophobicContact CB-CB 4.15Å
694	I	87.4	Confident	73.6	Confident	108 Å²	108	58 Å²	58	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-96.3	-26.3	-174.7	-60.8	166.5	0	0	0	111.7	F690 I691 H719 V727	F690-I694 WeakPolarHBondContact O-CD1 2.91Å; F690-I694 WeakPolarHBondContact O-CG1 3.43Å; F690-I694 PolarHBondContact O-N 3.43Å; I691-I694 PolarHBondContact O-N 3.05Å; I691-I694 VanDerWaalsContact O-N 3.17Å; I694-H719 PolarHBondContact O-CE1 3.35Å; I694-H719 PolarHBondContact O-NE2 2.61Å; I694-V727 HydrophobicContact CG1-CG2 4.38Å
695	T	84.5	Confident	71.9	Confident	54 Å²	54	61.9 Å²	61.9	33%	0.331	33%	0.334	S	S	.	.			trans	-78.8	136.8	178.6	56.7	0	0	0	0	111.8	I691 H719	I691-T695 HydrophobicContact CG2-CG2 3.91Å; I691-T695 WeakPolarHBondContact O-CB 3.49Å; I691-T695 VanDerWaalsContact O-CG2 3.28Å; I691-T695 WeakPolarHBondContact O-CG2 3.4Å; I691-T695 PolarHBondContact O-N 2.81Å; I691-T695 PolarHBondContact O-OG1 2.86Å; T695-H719 PolarHBondContact O-CE1 3.17Å
696	V	83.1	Confident	69.6	Low	36 Å²	36	67.8 Å²	67.8	22%	0.218	36%	0.357	C	S	.	.			trans	-91.5	132.7	164.8	-172	0	0	0	0	107.7	P711 D715 Y716 H719	V696-P711 HydrophobicContact CG1-CB 3.75Å; V696-P711 HydrophobicContact CG1-CG 4.22Å; V696-D715 HydrophobicContact CG1-CB 4.25Å; V696-Y716 HydrophobicContact CB-CD1 4.4Å; V696-Y716 HydrophobicContact CB-CE1 4.13Å; V696-Y716 HydrophobicContact CG1-CD1 4.25Å; V696-Y716 HydrophobicContact CG1-CE1 4.23Å; V696-Y716 HydrophobicContact CG2-CD1 3.91Å; V696-Y716 HydrophobicContact CG2-CE1 3.96Å; V696-H719 HydrophobicContact CG2-CB 3.89Å; V696-H719 VanDerWaalsContact CG2-CG 3.5Å
697	S	73.7	Confident	67.6	Low	30 Å²	30	65 Å²	65	21%	0.21	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-132.7	140.5	174.7	-60.2	0	0	0	0	108.4	G341 G343	G341-S697 PolarHBondContact O-N 3.2Å; G343-S697 WeakPolarHBondContact CA-O 3.39Å; G343-S697 PolarHBondContact N-O 2.76Å
698	A	66.6	Low	66	Low	20 Å²	20	65.8 Å²	65.8	17%	0.165	37%	0.374	C	S	.	.			trans	-66.5	141.4	173.9	0	0	0	0	0	110.5	G343 K709 P711	G343-A698 WeakPolarHBondContact CA-O 3.46Å; A698-K709 HydrophobicContact CB-CB 4.02Å; A698-K709 WeakPolarHBondContact CB-O 3.23Å; A698-P711 HydrophobicContact CB-CB 4.46Å
699	G	56.9	Low	65	Low	30 Å²	30	70.3 Å²	70.3	31%	0.309	39%	0.393	S	S	.	.			trans	-84.9	134.8	162.2	0	0	0	0	0	109.6
700	G	54.9	Low	64.2	Low	18 Å²	18	77.8 Å²	77.8	19%	0.186	43%	0.432	C	S	.	.			trans	-171.4	153.5	175.5	0	0	0	0	0	110.4	N344 V702	N344-G700 PolarHBondContact ND2-O 3.11Å; N344-G700 PolarHBondContact OD1-N 2.72Å; N344-G700 PolarHBondContact OD1-O 2.74Å; G700-V702 PolarHBondContact O-N 2.82Å
701	D	47.8	Very low	63.5	Low	106 Å²	106	76.4 Å²	76.4	57%	0.567	43%	0.429	S	S	*	.			trans	-59.5	131.8	173	-67	-38.4	0	0	0	109.1	D703	D701-D703 HydrophobicContact CB-CB 4.45Å; D701-D703 PolarHBondContact O-N 3.29Å
702	V	47.6	Very low	63.3	Low	56 Å²	56	75.9 Å²	75.9	34%	0.339	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.6	177	-171.9	0	0	0	0	110.6	M318 N344 G700 D704	M318-V702 HydrophobicContact CE-CG1 4.29Å; N344-V702 WeakPolarHBondContact ND2-CG2 2.97Å; G700-V702 PolarHBondContact O-N 2.82Å; V702-D704 PolarHBondContact O-N 3.44Å
703	D	44.5	Very low	63.3	Low	117 Å²	117	80 Å²	80	63%	0.626	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-11.8	178.9	-59.6	-17.4	0	0	0	112.8	D701 D705	D701-D703 HydrophobicContact CB-CB 4.45Å; D701-D703 PolarHBondContact O-N 3.29Å; D703-D705 PolarHBondContact O-N 3.47Å
704	D	41	Very low	63.1	Low	78 Å²	78	86.3 Å²	86.3	42%	0.417	49%	0.49	S	S	.	.			trans	-81.6	104.9	166.8	-67.2	-32.4	0	0	0	108.1	V702 E706 K709	V702-D704 PolarHBondContact O-N 3.44Å; D704-E706 PolarHBondContact O-N 3.43Å; D704-K709 WeakPolarHBondContact OD2-CE 3.17Å; D704-K709 IonicContact OD2-NZ 3.75Å; D704-K709 PolarHBondContact OD2-NZ 2.89Å
705	D	41	Very low	63	Low	129 Å²	129	82.2 Å²	82.2	69%	0.69	47%	0.47	S	S	*	.			trans	-54.1	-4.2	165.9	-80.3	-36.7	0	0	0	113	R303 D703	R303-D705 IonicContact CZ-OD2 2.61Å; R303-D705 IonicContact NH1-OD2 3.72Å; R303-D705 PolarHBondContact NH1-OD2 3.42Å; D703-D705 PolarHBondContact O-N 3.47Å
706	E	36.8	Very low	63.1	Low	164 Å²	164	85.8 Å²	85.8	77%	0.766	48%	0.478	S	S	*	.	S	Bend	trans	-86.5	116.1	172.9	-62	-171.7	178.2	0	0	109.5	D704	D704-E706 PolarHBondContact O-N 3.43Å
707	G	47.2	Very low	63.4	Low	69 Å²	69	87.9 Å²	87.9	71%	0.711	49%	0.491	S	S	*	.			trans	-45.4	165.9	-169.9	0	0	0	0	0	117.2	K709	G707-K709 PolarHBondContact O-N 2.91Å
708	E	53.8	Low	64	Low	178 Å²	178	89 Å²	89	83%	0.832	49%	0.494	S	S	*	.			trans	-29.5	104.3	-174.5	-65.7	-171.8	164.6	0	0	113.2	L710	E708-L710 PolarHBondContact O-N 3.33Å
709	K	61.7	Low	65.1	Low	109 Å²	109	88.9 Å²	88.9	47%	0.474	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-51.9	138.8	175.9	-73	179.6	-179.5	169.7	0	109	A698 D704 G707	A698-K709 HydrophobicContact CB-CB 4.02Å; A698-K709 WeakPolarHBondContact CB-O 3.23Å; D704-K709 WeakPolarHBondContact OD2-CE 3.17Å; D704-K709 IonicContact OD2-NZ 3.75Å; D704-K709 PolarHBondContact OD2-NZ 2.89Å; G707-K709 PolarHBondContact O-N 2.91Å
710	L	71.9	Confident	66.7	Low	157 Å²	157	95.3 Å²	95.3	82%	0.822	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-67.5	138.8	174.6	-72.8	162.5	0	0	0	109.6	E708	E708-L710 PolarHBondContact O-N 3.33Å
711	P	76.7	Confident	68.4	Low	29 Å²	29	98.2 Å²	98.2	19%	0.188	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-61.7	139.3	179.8	23.1	-32.6	0	0	0	111.5	V696 A698 D715 Y716	V696-P711 HydrophobicContact CG1-CB 3.75Å; V696-P711 HydrophobicContact CG1-CG 4.22Å; A698-P711 HydrophobicContact CB-CB 4.46Å; P711-D715 HydrophobicContact CB-CB 4.19Å; P711-Y716 HydrophobicContact CB-CE2 3.96Å; P711-Y716 HydrophobicContact CG-CE2 3.68Å; P711-Y716 WeakPolarHBondContact CG-OH 3.25Å
712	T	81.6	Confident	70.5	Confident	77 Å²	77	93.2 Å²	93.2	47%	0.472	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-76.3	161.1	178.8	70	0	0	0	0	111.1	M714 D715 Y716	T712-M714 PolarHBondContact O-N 3.18Å; T712-D715 WeakPolarHBondContact CB-OD2 3.49Å; T712-D715 PolarHBondContact N-OD2 2.96Å; T712-D715 WeakPolarHBondContact O-CB 3.35Å; T712-D715 PolarHBondContact O-N 3.13Å; T712-D715 PolarHBondContact OG1-N 3.31Å; T712-D715 PolarHBondContact OG1-OD2 3.47Å; T712-Y716 WeakPolarHBondContact O-CD2 3.04Å; T712-Y716 PolarHBondContact O-N 3.06Å
713	C	85.2	Confident	72.6	Confident	110 Å²	110	92.6 Å²	92.6	74%	0.743	49%	0.49	S	S	*	.	H	α-helix	trans	-56.3	-33.4	175.1	-61.3	0	0	0	0	112.6	D715 Y716 V717	C713-D715 VanDerWaalsContact C-N 3.34Å; C713-Y716 PolarHBondContact O-N 3.03Å; C713-V717 WeakPolarHBondContact O-CG2 3.09Å; C713-V717 PolarHBondContact O-N 2.8Å
714	M	82.4	Confident	75	Confident	137 Å²	137	92.5 Å²	92.5	68%	0.675	48%	0.484	S	S	*	.	H	α-helix	trans	-68.7	-33.8	177.4	-67.8	-64.2	-90	0	0	111.8	T712 Y716 V717 M718	T712-M714 PolarHBondContact O-N 3.18Å; M714-Y716 VanDerWaalsContact C-N 3.34Å; M714-Y716 PolarHBondContact O-N 3.22Å; M714-V717 PolarHBondContact O-N 2.72Å; M714-M718 WeakPolarHBondContact O-CB 3.46Å; M714-M718 WeakPolarHBondContact O-CG 3.4Å; M714-M718 PolarHBondContact O-N 3.49Å
715	D	84.3	Confident	77.6	Confident	22 Å²	22	89.7 Å²	89.7	12%	0.118	47%	0.467	C	S	.	.	H	α-helix	trans	-64	-41.1	175.9	-60.1	-43.3	0	0	0	111.1	V696 P711 T712 C713 H719	V696-D715 HydrophobicContact CG1-CB 4.25Å; P711-D715 HydrophobicContact CB-CB 4.19Å; T712-D715 WeakPolarHBondContact CB-OD2 3.49Å; T712-D715 PolarHBondContact N-OD2 2.96Å; T712-D715 WeakPolarHBondContact O-CB 3.35Å; T712-D715 PolarHBondContact O-N 3.13Å; T712-D715 PolarHBondContact OG1-N 3.31Å; T712-D715 PolarHBondContact OG1-OD2 3.47Å; C713-D715 VanDerWaalsContact C-N 3.34Å; D715-H719 WeakPolarHBondContact O-CB 2.99Å; D715-H719 PolarHBondContact O-N 3.37Å
716	Y	87.3	Confident	80	Confident	129 Å²	129	84.1 Å²	84.1	51%	0.506	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-42.6	175.2	-75.5	-74.6	0	0	0	112.6	V696 P711 T712 C713 M714 H719 F720	V696-Y716 HydrophobicContact CB-CD1 4.4Å; V696-Y716 HydrophobicContact CB-CE1 4.13Å; V696-Y716 HydrophobicContact CG1-CD1 4.25Å; V696-Y716 HydrophobicContact CG1-CE1 4.23Å; V696-Y716 HydrophobicContact CG2-CD1 3.91Å; V696-Y716 HydrophobicContact CG2-CE1 3.96Å; P711-Y716 HydrophobicContact CB-CE2 3.96Å; P711-Y716 HydrophobicContact CG-CE2 3.68Å; P711-Y716 WeakPolarHBondContact CG-OH 3.25Å; T712-Y716 WeakPolarHBondContact O-CD2 3.04Å; T712-Y716 PolarHBondContact O-N 3.06Å; C713-Y716 PolarHBondContact O-N 3.03Å; M714-Y716 VanDerWaalsContact C-N 3.34Å; M714-Y716 PolarHBondContact O-N 3.22Å; Y716-H719 PolarHBondContact O-N 3.41Å; Y716-F720 WeakPolarHBondContact O-CB 3.02Å; Y716-F720 PolarHBondContact O-N 2.93Å
717	V	88.8	Confident	82.7	Confident	81 Å²	81	78.7 Å²	78.7	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-63.6	-48.3	177.7	173.3	0	0	0	0	110.6	C713 M714 H719 F720 L721	C713-V717 WeakPolarHBondContact O-CG2 3.09Å; C713-V717 PolarHBondContact O-N 2.8Å; M714-V717 PolarHBondContact O-N 2.72Å; V717-H719 VanDerWaalsContact C-N 3.33Å; V717-H719 PolarHBondContact O-N 3.32Å; V717-F720 PolarHBondContact O-N 2.89Å; V717-L721 HydrophobicContact CG1-CD1 4.3Å; V717-L721 WeakPolarHBondContact O-CG 3.46Å; V717-L721 PolarHBondContact O-N 3.47Å
718	M	86.9	Confident	85	Confident	54 Å²	54	79.2 Å²	79.2	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-38.4	178.4	-70.4	-54.8	-65.8	0	0	111.8	L72 L339 M714 L721 T722	L72-M718 HydrophobicContact CD2-CE 4.32Å; L339-M718 VanDerWaalsContact O-CB 3.28Å; L339-M718 WeakPolarHBondContact O-CB 3.37Å; L339-M718 WeakPolarHBondContact O-CE 3.3Å; L339-M718 WeakPolarHBondContact O-CG 3.26Å; M714-M718 WeakPolarHBondContact O-CB 3.46Å; M714-M718 WeakPolarHBondContact O-CG 3.4Å; M714-M718 PolarHBondContact O-N 3.49Å; M718-L721 PolarHBondContact O-N 3.43Å; M718-L721 HydrophobicContact SD-CD1 4.43Å; M718-T722 WeakPolarHBondContact O-CB 3.48Å; M718-T722 VanDerWaalsContact O-CG2 3.27Å; M718-T722 WeakPolarHBondContact O-CG2 3.46Å; M718-T722 PolarHBondContact O-N 3.48Å; M718-T722 PolarHBondContact O-OG1 3.21Å
719	H	89.1	Confident	87	Confident	17 Å²	17	71 Å²	71	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-47.1	173.8	-176.6	101.4	0	0	0	111.1	A693 I694 T695 V696 D715 Y716 V717 L721 T722 V723 K726	A693-H719 PolarHBondContact O-CE1 3.09Å; A693-H719 VanDerWaalsContact O-CE1 3.24Å; I694-H719 PolarHBondContact O-CE1 3.35Å; I694-H719 PolarHBondContact O-NE2 2.61Å; T695-H719 PolarHBondContact O-CE1 3.17Å; V696-H719 HydrophobicContact CG2-CB 3.89Å; V696-H719 VanDerWaalsContact CG2-CG 3.5Å; D715-H719 WeakPolarHBondContact O-CB 2.99Å; D715-H719 PolarHBondContact O-N 3.37Å; Y716-H719 PolarHBondContact O-N 3.41Å; V717-H719 VanDerWaalsContact C-N 3.33Å; V717-H719 PolarHBondContact O-N 3.32Å; H719-L721 VanDerWaalsContact C-N 3.32Å; H719-L721 PolarHBondContact O-N 2.84Å; H719-T722 CarbonylContact O-C 3.6Å; H719-T722 PolarHBondContact O-N 3.39Å; H719-T722 VanDerWaalsContact O-N 3.08Å; H719-T722 PolarHBondContact O-OG1 3Å; H719-V723 WeakPolarHBondContact O-CA 3.3Å; H719-V723 WeakPolarHBondContact O-CB 3.39Å; H719-V723 PolarHBondContact O-N 3.22Å; H719-K726 PolarHBondContact ND1-NZ 3.43Å; H719-K726 VanDerWaalsContact ND1-NZ 3.11Å
720	F	90.1	Very high	88.4	Confident	164 Å²	164	65.9 Å²	65.9	72%	0.719	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-40.4	178.4	-178.7	-96.8	0	0	0	112.5	Y716 V717 T722 V723	Y716-F720 WeakPolarHBondContact O-CB 3.02Å; Y716-F720 PolarHBondContact O-N 2.93Å; V717-F720 PolarHBondContact O-N 2.89Å; F720-T722 VanDerWaalsContact C-N 3.29Å; F720-T722 PolarHBondContact O-N 2.9Å; F720-V723 WeakPolarHBondContact O-CG1 3.11Å
721	L	90.5	Very high	89.5	Confident	80 Å²	80	64.8 Å²	64.8	42%	0.419	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-31.5	175.9	-69.3	175.1	0	0	0	112.6	Y69 V717 M718 H719	Y69-L721 WeakPolarHBondContact CE2-O 3.27Å; V717-L721 HydrophobicContact CG1-CD1 4.3Å; V717-L721 WeakPolarHBondContact O-CG 3.46Å; V717-L721 PolarHBondContact O-N 3.47Å; M718-L721 PolarHBondContact O-N 3.43Å; M718-L721 HydrophobicContact SD-CD1 4.43Å; H719-L721 VanDerWaalsContact C-N 3.32Å; H719-L721 PolarHBondContact O-N 2.84Å
722	T	91.5	Very high	90.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-101.4	-10.7	-172.5	58.1	0	0	0	0	113.9	I76 T340 M718 H719 F720 F724 W725 K726	I76-T722 HydrophobicContact CD1-CG2 3.92Å; T340-T722 HydrophobicContact CG2-CG2 4.16Å; M718-T722 WeakPolarHBondContact O-CB 3.48Å; M718-T722 VanDerWaalsContact O-CG2 3.27Å; M718-T722 WeakPolarHBondContact O-CG2 3.46Å; M718-T722 PolarHBondContact O-N 3.48Å; M718-T722 PolarHBondContact O-OG1 3.21Å; H719-T722 CarbonylContact O-C 3.6Å; H719-T722 PolarHBondContact O-N 3.39Å; H719-T722 VanDerWaalsContact O-N 3.08Å; H719-T722 PolarHBondContact O-OG1 3Å; F720-T722 VanDerWaalsContact C-N 3.29Å; F720-T722 PolarHBondContact O-N 2.9Å; T722-F724 VanDerWaalsContact C-N 3.27Å; T722-F724 PolarHBondContact O-N 2.74Å; T722-W725 WeakPolarHBondContact O-CB 2.93Å; T722-W725 PolarHBondContact O-N 3.34Å; T722-K726 WeakPolarHBondContact O-CG 3.22Å; T722-K726 PolarHBondContact O-N 3.47Å; T722-K726 VanDerWaalsContact OG1-CE 3.29Å; T722-K726 WeakPolarHBondContact OG1-CE 3.35Å
723	V	92.5	Very high	91	Very high	44 Å²	44	61.2 Å²	61.2	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-57.3	-39	-173.8	71.1	0	0	0	0	112.5	H719 F720 W725 K726 V727	H719-V723 WeakPolarHBondContact O-CA 3.3Å; H719-V723 WeakPolarHBondContact O-CB 3.39Å; H719-V723 PolarHBondContact O-N 3.22Å; F720-V723 WeakPolarHBondContact O-CG1 3.11Å; V723-W725 PolarHBondContact O-N 3.41Å; V723-K726 PolarHBondContact O-N 3.03Å; V723-V727 HydrophobicContact CG2-CG2 4.18Å; V723-V727 WeakPolarHBondContact O-CB 3.5Å; V723-V727 WeakPolarHBondContact O-CG2 3.39Å; V723-V727 PolarHBondContact O-N 3.33Å
724	F	94.8	Very high	91.3	Very high	115 Å²	115	56 Å²	56	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-55.5	-51.2	175.6	169.1	-100.6	0	0	0	111.3	Y69 T722 L728	Y69-F724 HydrophobicContact CE1-CD1 4.27Å; Y69-F724 WeakPolarHBondContact OH-CB 3.09Å; Y69-F724 VanDerWaalsContact OH-CD1 3.24Å; Y69-F724 WeakPolarHBondContact OH-CD1 3.04Å; T722-F724 VanDerWaalsContact C-N 3.27Å; T722-F724 PolarHBondContact O-N 2.74Å; F724-L728 HydrophobicContact CE1-CD2 4.5Å; F724-L728 WeakPolarHBondContact O-CB 3.36Å; F724-L728 PolarHBondContact O-N 3.27Å
725	W	95.1	Very high	91.6	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-41.1	178.3	-67.7	120.3	0	0	0	112.1	Y69 L70 I76 T722 V723 V727 L728 F729 L754	Y69-W725 AromaticContact CD1-CZ2 3.89Å; Y69-W725 HydrophobicContact CD1-CZ2 3.89Å; Y69-W725 AromaticContact CD1-NE1 3.61Å; Y69-W725 AromaticContact CE1-CE2 3.61Å; Y69-W725 AromaticContact CE1-CZ2 3.7Å; Y69-W725 HydrophobicContact CE1-CZ2 3.7Å; Y69-W725 AromaticContact CE1-NE1 3.22Å; Y69-W725 AromaticContact CE2-NE1 3.7Å; Y69-W725 AromaticContact CZ-CD1 3.83Å; Y69-W725 AromaticContact CZ-NE1 3.27Å; Y69-W725 VanDerWaalsContact CZ-NE1 3.27Å; Y69-W725 PolarHBondContact O-NE1 3.09Å; L70-W725 HydrophobicContact CD2-CH2 4.16Å; L70-W725 HydrophobicContact CD2-CZ2 4.16Å; I76-W725 HydrophobicContact CD1-CB 3.54Å; I76-W725 HydrophobicContact CD1-CG 4.26Å; T722-W725 WeakPolarHBondContact O-CB 2.93Å; T722-W725 PolarHBondContact O-N 3.34Å; V723-W725 PolarHBondContact O-N 3.41Å; W725-V727 PolarHBondContact O-N 3.16Å; W725-L728 HydrophobicContact CE3-CD2 3.91Å; W725-L728 HydrophobicContact CZ3-CD2 3.88Å; W725-L728 PolarHBondContact O-N 2.85Å; W725-F729 HydrophobicContact CB-CD2 4.28Å; W725-F729 HydrophobicContact CB-CE2 3.86Å; W725-F729 HydrophobicContact CD2-CE2 4.32Å; W725-F729 HydrophobicContact CD2-CZ 4.25Å; W725-F729 HydrophobicContact CE3-CE1 4.13Å; W725-F729 AromaticContact CE3-CE2 3.82Å; W725-F729 HydrophobicContact CE3-CE2 3.82Å; W725-F729 AromaticContact CE3-CZ 3.36Å; W725-F729 HydrophobicContact CE3-CZ 3.36Å; W725-F729 HydrophobicContact CG-CE2 4.39Å; W725-F729 HydrophobicContact CZ3-CE1 4.48Å; W725-F729 AromaticContact CZ3-CZ 3.89Å; W725-F729 HydrophobicContact CZ3-CZ 3.89Å; W725-F729 WeakPolarHBondContact O-CB 3.36Å; W725-F729 WeakPolarHBondContact O-CD2 3.29Å; W725-F729 VanDerWaalsContact O-CG 3.27Å; W725-F729 WeakPolarHBondContact O-CG 3.18Å; W725-F729 PolarHBondContact O-N 2.87Å; W725-L754 HydrophobicContact CH2-CD2 3.62Å; W725-L754 HydrophobicContact CZ3-CD2 3.68Å
726	K	92.2	Very high	91.5	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-46.5	178	-69.5	-176.4	-175.4	-177.8	0	112.1	I76 T340 S342 A693 H719 T722 V723 F729 A730	I76-K726 HydrophobicContact CG2-CG 4.32Å; T340-K726 WeakPolarHBondContact O-CE 3.47Å; T340-K726 PolarHBondContact O-NZ 3.31Å; S342-K726 WeakPolarHBondContact OG-CE 3.47Å; S342-K726 PolarHBondContact OG-NZ 3.09Å; A693-K726 HydrophobicContact CB-CB 3.93Å; H719-K726 PolarHBondContact ND1-NZ 3.43Å; H719-K726 VanDerWaalsContact ND1-NZ 3.11Å; T722-K726 WeakPolarHBondContact O-CG 3.22Å; T722-K726 PolarHBondContact O-N 3.47Å; T722-K726 VanDerWaalsContact OG1-CE 3.29Å; T722-K726 WeakPolarHBondContact OG1-CE 3.35Å; V723-K726 PolarHBondContact O-N 3.03Å; K726-F729 PolarHBondContact O-N 2.69Å; K726-A730 WeakPolarHBondContact O-CB 3.33Å; K726-A730 PolarHBondContact O-N 3.28Å
727	V	94	Very high	91.5	Very high	49 Å²	49	50.9 Å²	50.9	30%	0.297	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-40.9	178.2	173.9	0	0	0	0	110.6	F690 I694 V723 W725 F729 A730 F731	F690-V727 HydrophobicContact CE1-CG1 4.46Å; I694-V727 HydrophobicContact CG1-CG2 4.38Å; V723-V727 HydrophobicContact CG2-CG2 4.18Å; V723-V727 WeakPolarHBondContact O-CB 3.5Å; V723-V727 WeakPolarHBondContact O-CG2 3.39Å; V723-V727 PolarHBondContact O-N 3.33Å; W725-V727 PolarHBondContact O-N 3.16Å; V727-F729 PolarHBondContact O-N 3.44Å; V727-A730 WeakPolarHBondContact O-CB 3.24Å; V727-A730 PolarHBondContact O-N 2.99Å; V727-F731 WeakPolarHBondContact O-CD2 3.49Å
728	L	95.2	Very high	91.3	Very high	80 Å²	80	49.1 Å²	49.1	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-43.2	176.4	-176.4	65.4	0	0	0	112	F724 W725 F731	F724-L728 HydrophobicContact CE1-CD2 4.5Å; F724-L728 WeakPolarHBondContact O-CB 3.36Å; F724-L728 PolarHBondContact O-N 3.27Å; W725-L728 HydrophobicContact CE3-CD2 3.91Å; W725-L728 HydrophobicContact CZ3-CD2 3.88Å; W725-L728 PolarHBondContact O-N 2.85Å; L728-F731 WeakPolarHBondContact O-CD2 3.4Å
729	F	95	Very high	91.3	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-84	-7.7	-179	-54.9	-36.6	0	0	0	113.9	G73 I76 I77 W725 K726 V727 F731 V732 V750 L754	G73-F729 VanDerWaalsContact O-CE2 3.24Å; G73-F729 WeakPolarHBondContact O-CE2 3.21Å; I76-F729 HydrophobicContact CB-CD2 4.07Å; I76-F729 HydrophobicContact CB-CE2 4.18Å; I76-F729 HydrophobicContact CG2-CD2 3.77Å; I76-F729 HydrophobicContact CG2-CE2 4.37Å; I77-F729 HydrophobicContact CB-CD1 4.39Å; I77-F729 HydrophobicContact CB-CD2 3.93Å; I77-F729 HydrophobicContact CB-CE1 4.29Å; I77-F729 HydrophobicContact CB-CE2 3.82Å; I77-F729 HydrophobicContact CB-CG 4.24Å; I77-F729 HydrophobicContact CB-CZ 4.01Å; I77-F729 HydrophobicContact CD1-CB 4.22Å; I77-F729 HydrophobicContact CD1-CD1 3.96Å; I77-F729 HydrophobicContact CD1-CD2 4.48Å; I77-F729 HydrophobicContact CD1-CE1 4.5Å; I77-F729 HydrophobicContact CD1-CG 3.96Å; I77-F729 HydrophobicContact CG2-CE2 4.4Å; I77-F729 HydrophobicContact CG2-CZ 4.4Å; W725-F729 HydrophobicContact CB-CD2 4.28Å; W725-F729 HydrophobicContact CB-CE2 3.86Å; W725-F729 HydrophobicContact CD2-CE2 4.32Å; W725-F729 HydrophobicContact CD2-CZ 4.25Å; W725-F729 HydrophobicContact CE3-CE1 4.13Å; W725-F729 AromaticContact CE3-CE2 3.82Å; W725-F729 HydrophobicContact CE3-CE2 3.82Å; W725-F729 AromaticContact CE3-CZ 3.36Å; W725-F729 HydrophobicContact CE3-CZ 3.36Å; W725-F729 HydrophobicContact CG-CE2 4.39Å; W725-F729 HydrophobicContact CZ3-CE1 4.48Å; W725-F729 AromaticContact CZ3-CZ 3.89Å; W725-F729 HydrophobicContact CZ3-CZ 3.89Å; W725-F729 WeakPolarHBondContact O-CB 3.36Å; W725-F729 WeakPolarHBondContact O-CD2 3.29Å; W725-F729 VanDerWaalsContact O-CG 3.27Å; W725-F729 WeakPolarHBondContact O-CG 3.18Å; W725-F729 PolarHBondContact O-N 2.87Å; K726-F729 PolarHBondContact O-N 2.69Å; V727-F729 PolarHBondContact O-N 3.44Å; F729-F731 PolarHBondContact O-N 3.33Å; F729-V732 HydrophobicContact CB-CG2 4.42Å; F729-V732 VanDerWaalsContact O-CB 3.29Å; F729-V732 WeakPolarHBondContact O-CB 3.2Å; F729-V732 VanDerWaalsContact O-CG2 3.31Å; F729-V732 WeakPolarHBondContact O-CG2 3.49Å; F729-V732 PolarHBondContact O-N 3.19Å; F729-V732 VanDerWaalsContact O-N 3.11Å; F729-V750 HydrophobicContact CD1-CG1 4.03Å; F729-V750 HydrophobicContact CE1-CG1 3.53Å; F729-V750 HydrophobicContact CZ-CG1 4.37Å; F729-L754 HydrophobicContact CE1-CD1 4.14Å; F729-L754 HydrophobicContact CZ-CD1 3.63Å
730	A	91.9	Very high	91.2	Very high	2 Å²	2	47 Å²	47	2%	0.017	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.1	168.5	0	0	0	0	0	113	Q689 F690 A693 K726 V727 V732	Q689-A730 HydrophobicContact CB-CB 4.28Å; Q689-A730 PolarHBondContact OE1-O 3.05Å; Q689-A730 VanDerWaalsContact OE1-O 3.05Å; F690-A730 HydrophobicContact CD1-CB 3.89Å; F690-A730 HydrophobicContact CD2-CB 4.38Å; F690-A730 HydrophobicContact CE1-CB 3.87Å; F690-A730 HydrophobicContact CE2-CB 4.35Å; F690-A730 HydrophobicContact CG-CB 4.14Å; F690-A730 HydrophobicContact CZ-CB 4.1Å; A693-A730 HydrophobicContact CB-CB 4.15Å; K726-A730 WeakPolarHBondContact O-CB 3.33Å; K726-A730 PolarHBondContact O-N 3.28Å; V727-A730 WeakPolarHBondContact O-CB 3.24Å; V727-A730 PolarHBondContact O-N 2.99Å; A730-V732 VanDerWaalsContact C-N 3.31Å
731	F	93.9	Very high	91.3	Very high	134 Å²	134	44.7 Å²	44.7	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.2	171.4	-71.2	-86.3	0	0	0	113.5	F690 V727 L728 F729	F690-F731 HydrophobicContact CE1-CD2 4.44Å; F690-F731 AromaticContact CE1-CE2 3.99Å; F690-F731 HydrophobicContact CE1-CE2 3.99Å; F690-F731 HydrophobicContact CE1-CZ 4.14Å; F690-F731 HydrophobicContact CZ-CD1 4.07Å; F690-F731 HydrophobicContact CZ-CD2 4.03Å; F690-F731 AromaticContact CZ-CE1 3.85Å; F690-F731 HydrophobicContact CZ-CE1 3.85Å; F690-F731 AromaticContact CZ-CE2 3.81Å; F690-F731 HydrophobicContact CZ-CE2 3.81Å; F690-F731 HydrophobicContact CZ-CG 4.16Å; F690-F731 AromaticContact CZ-CZ 3.72Å; F690-F731 HydrophobicContact CZ-CZ 3.72Å; V727-F731 WeakPolarHBondContact O-CD2 3.49Å; L728-F731 WeakPolarHBondContact O-CD2 3.4Å; F729-F731 PolarHBondContact O-N 3.33Å
732	V	94.7	Very high	91.5	Very high	5 Å²	5	47 Å²	47	3%	0.03	24%	0.237	C	C	.	.	S	Bend	trans	-63.5	135.2	176	177	0	0	0	0	108.9	I77 Q689 F729 A730 V746	I77-V732 HydrophobicContact CD1-CG2 3.89Å; Q689-V732 PolarHBondContact NE2-O 3.37Å; Q689-V732 PolarHBondContact OE1-O 2.88Å; F729-V732 HydrophobicContact CB-CG2 4.42Å; F729-V732 VanDerWaalsContact O-CB 3.29Å; F729-V732 WeakPolarHBondContact O-CB 3.2Å; F729-V732 VanDerWaalsContact O-CG2 3.31Å; F729-V732 WeakPolarHBondContact O-CG2 3.49Å; F729-V732 PolarHBondContact O-N 3.19Å; F729-V732 VanDerWaalsContact O-N 3.11Å; A730-V732 VanDerWaalsContact C-N 3.31Å; V732-V746 HydrophobicContact CG1-CB 4.42Å; V732-V746 HydrophobicContact CG1-CG1 4.23Å; V732-V746 HydrophobicContact CG2-CG1 4.25Å
733	P	94.6	Very high	91.6	Very high	26 Å²	26	47 Å²	47	17%	0.169	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-50.4	141.7	-179.4	-28.8	35.2	0	0	0	113.2	F742 C743 V746	P733-F742 HydrophobicContact CB-CB 4.22Å; P733-F742 HydrophobicContact CG-CB 4.48Å; P733-C743 WeakPolarHBondContact O-CB 3.37Å; P733-C743 PolarHBondContact O-SG 2.62Å; P733-C743 VanDerWaalsContact O-SG 3.4Å; P733-V746 HydrophobicContact CG-CG2 4.04Å
734	P	92	Very high	91.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-58.8	149.3	172.8	-20.7	33	0	0	0	111.6	T683 W686 D736 Y737	T683-P734 VanDerWaalsContact O-CB 3.23Å; T683-P734 WeakPolarHBondContact O-CB 3.47Å; W686-P734 HydrophobicContact CG-CG 4.34Å; P734-D736 VanDerWaalsContact C-N 3.26Å; P734-D736 PolarHBondContact O-N 3.1Å; P734-Y737 HydrophobicContact CB-CD2 3.95Å; P734-Y737 HydrophobicContact CB-CE2 4.19Å; P734-Y737 HydrophobicContact CG-CD2 4.18Å; P734-Y737 HydrophobicContact CG-CE2 4.07Å; P734-Y737 WeakPolarHBondContact O-CB 3.28Å; P734-Y737 PolarHBondContact O-N 3.13Å
735	T	88.6	Confident	91.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.4	-175.5	53.8	0	0	0	0	112.7	A83 A84 G682 T683 Y737 G740 C743	A83-T735 HydrophobicContact CB-CG2 4.09Å; A84-T735 HydrophobicContact CB-CG2 4.34Å; G682-T735 VanDerWaalsContact C-OG1 3.27Å; G682-T735 WeakPolarHBondContact CA-OG1 3.44Å; T683-T735 PolarHBondContact N-OG1 2.9Å; T683-T735 PolarHBondContact O-N 2.96Å; T683-T735 VanDerWaalsContact O-N 3.15Å; T683-T735 PolarHBondContact O-OG1 3.3Å; T735-Y737 PolarHBondContact O-N 3.25Å; T735-G740 WeakPolarHBondContact O-CA 3.08Å; T735-G740 PolarHBondContact O-N 3.03Å; T735-C743 HydrophobicContact CG2-CB 4.28Å
736	D	83.9	Confident	91.8	Very high	65 Å²	65	45.5 Å²	45.5	35%	0.348	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.2	176.3	-70.2	-2.6	0	0	0	111.9	R354 T683 S684 P734 G738	R354-D736 IonicContact CZ-OD2 3.18Å; R354-D736 IonicContact NH2-OD1 2.66Å; R354-D736 PolarHBondContact NH2-OD1 3.26Å; R354-D736 IonicContact NH2-OD2 2.75Å; R354-D736 PolarHBondContact NH2-OD2 3.29Å; T683-D736 PolarHBondContact O-N 3.17Å; S684-D736 WeakPolarHBondContact CA-OD2 3.46Å; S684-D736 WeakPolarHBondContact CB-OD2 3.41Å; P734-D736 VanDerWaalsContact C-N 3.26Å; P734-D736 PolarHBondContact O-N 3.1Å; D736-G738 PolarHBondContact O-N 3.33Å
737	Y	86.2	Confident	92	Very high	114 Å²	114	44.9 Å²	44.9	45%	0.447	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-78.6	123	-177.5	-74.9	-137.7	0	0	0	109.8	P734 T735 G739 G740	P734-Y737 HydrophobicContact CB-CD2 3.95Å; P734-Y737 HydrophobicContact CB-CE2 4.19Å; P734-Y737 HydrophobicContact CG-CD2 4.18Å; P734-Y737 HydrophobicContact CG-CE2 4.07Å; P734-Y737 WeakPolarHBondContact O-CB 3.28Å; P734-Y737 PolarHBondContact O-N 3.13Å; T735-Y737 PolarHBondContact O-N 3.25Å; Y737-G739 PolarHBondContact O-N 3.34Å; Y737-G740 PolarHBondContact O-N 3.26Å
738	G	85.8	Confident	92	Very high	45 Å²	45	44.8 Å²	44.8	46%	0.464	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	62.3	26.4	-179.7	0	0	0	0	0	113.7	D736 G740 W741	D736-G738 PolarHBondContact O-N 3.33Å; G738-G740 VanDerWaalsContact C-N 3.25Å; G738-G740 PolarHBondContact O-N 3.39Å; G738-W741 PolarHBondContact O-N 3.08Å
739	G	85.1	Confident	92	Very high	26 Å²	26	46.5 Å²	46.5	27%	0.268	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	62.1	30.1	-179	0	0	0	0	0	113.9	I88 Q91 Y737	I88-G739 WeakPolarHBondContact CG1-O 3.27Å; Q91-G739 PolarHBondContact NE2-O 2.96Å; Y737-G739 PolarHBondContact O-N 3.34Å
740	G	87.8	Confident	92.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	97.6	-17.7	178.3	0	0	0	0	0	115	T735 Y737 G738 F742 C743 F744	T735-G740 WeakPolarHBondContact O-CA 3.08Å; T735-G740 PolarHBondContact O-N 3.03Å; Y737-G740 PolarHBondContact O-N 3.26Å; G738-G740 VanDerWaalsContact C-N 3.25Å; G738-G740 PolarHBondContact O-N 3.39Å; G740-F742 PolarHBondContact O-N 3.36Å; G740-C743 PolarHBondContact O-N 2.84Å; G740-F744 WeakPolarHBondContact O-CB 3.32Å; G740-F744 PolarHBondContact O-N 3.43Å
741	W	92.6	Very high	92.3	Very high	116 Å²	116	48 Å²	48	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-34.7	-172.4	-76	104.7	0	0	0	114.8	I88 G738 F744 T745	I88-W741 HydrophobicContact CD1-CD2 3.91Å; I88-W741 HydrophobicContact CD1-CE3 4.07Å; I88-W741 HydrophobicContact CD1-CG 4.28Å; I88-W741 HydrophobicContact CD1-CZ3 4.43Å; I88-W741 HydrophobicContact CG1-CD2 4.35Å; I88-W741 HydrophobicContact CG1-CG 4.45Å; I88-W741 HydrophobicContact CG2-CH2 4.37Å; I88-W741 HydrophobicContact CG2-CZ2 3.73Å; G738-W741 PolarHBondContact O-N 3.08Å; W741-F744 HydrophobicContact CE3-CD1 4.04Å; W741-F744 HydrophobicContact CE3-CG 4.49Å; W741-F744 HydrophobicContact CZ3-CD1 4.1Å; W741-F744 HydrophobicContact CZ3-CE1 4.1Å; W741-T745 WeakPolarHBondContact O-CB 3.33Å; W741-T745 PolarHBondContact O-N 2.9Å; W741-T745 PolarHBondContact O-OG1 3.28Å
742	F	94.5	Very high	92.3	Very high	127 Å²	127	42.1 Å²	42.1	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-67.2	-44.9	176.1	-66.6	-50.4	0	0	0	111.5	P733 G740 T745 V746	P733-F742 HydrophobicContact CB-CB 4.22Å; P733-F742 HydrophobicContact CG-CB 4.48Å; G740-F742 PolarHBondContact O-N 3.36Å; F742-T745 PolarHBondContact O-N 3.22Å; F742-V746 WeakPolarHBondContact O-CG2 3.49Å; F742-V746 PolarHBondContact O-N 3.02Å; F742-V746 VanDerWaalsContact O-N 3.11Å
743	C	93.9	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-48.7	174.5	-175.7	0	0	0	0	110.8	A84 P733 T735 G740 T745 V746 C747	A84-C743 HydrophobicContact CB-CB 3.92Å; P733-C743 WeakPolarHBondContact O-CB 3.37Å; P733-C743 PolarHBondContact O-SG 2.62Å; P733-C743 VanDerWaalsContact O-SG 3.4Å; T735-C743 HydrophobicContact CG2-CB 4.28Å; G740-C743 PolarHBondContact O-N 2.84Å; C743-T745 VanDerWaalsContact C-N 3.33Å; C743-T745 PolarHBondContact O-N 3.27Å; C743-V746 PolarHBondContact O-N 3.49Å; C743-C747 VanDerWaalsContact O-CB 3.28Å; C743-C747 WeakPolarHBondContact O-CB 3.31Å; C743-C747 PolarHBondContact O-N 3.49Å; C743-C747 PolarHBondContact O-SG 3.32Å; C743-C747 VanDerWaalsContact O-SG 3.33Å
744	F	94.4	Very high	92.3	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-52.1	-48.7	177	177.5	-89.6	0	0	0	112.5	F81 A84 I85 I88 L121 L124 G740 W741 C747 I748	F81-F744 HydrophobicContact CD2-CD2 4.08Å; F81-F744 HydrophobicContact CD2-CE2 4.46Å; F81-F744 AromaticContact CE2-CD2 3.33Å; F81-F744 HydrophobicContact CE2-CD2 3.33Å; F81-F744 AromaticContact CE2-CE2 3.36Å; F81-F744 HydrophobicContact CE2-CE2 3.36Å; F81-F744 HydrophobicContact CE2-CG 4.01Å; F81-F744 HydrophobicContact CE2-CZ 4.09Å; F81-F744 HydrophobicContact CZ-CD2 4.11Å; F81-F744 AromaticContact CZ-CE2 3.67Å; F81-F744 HydrophobicContact CZ-CE2 3.67Å; F81-F744 HydrophobicContact CZ-CZ 4.25Å; A84-F744 HydrophobicContact CB-CB 4.09Å; I85-F744 HydrophobicContact CD1-CE2 4.38Å; I85-F744 HydrophobicContact CG1-CD2 3.84Å; I85-F744 HydrophobicContact CG1-CE2 3.87Å; I88-F744 HydrophobicContact CD1-CB 3.78Å; I88-F744 HydrophobicContact CD1-CD2 3.96Å; I88-F744 HydrophobicContact CD1-CG 3.97Å; L121-F744 HydrophobicContact CD2-CE2 4.12Å; L121-F744 HydrophobicContact CD2-CZ 4.13Å; L124-F744 HydrophobicContact CD2-CZ 4.19Å; G740-F744 WeakPolarHBondContact O-CB 3.32Å; G740-F744 PolarHBondContact O-N 3.43Å; W741-F744 HydrophobicContact CE3-CD1 4.04Å; W741-F744 HydrophobicContact CE3-CG 4.49Å; W741-F744 HydrophobicContact CZ3-CD1 4.1Å; W741-F744 HydrophobicContact CZ3-CE1 4.1Å; F744-C747 PolarHBondContact O-N 3.44Å; F744-I748 HydrophobicContact CD1-CD1 3.9Å; F744-I748 HydrophobicContact CE1-CD1 3.31Å; F744-I748 HydrophobicContact CE2-CD1 4.12Å; F744-I748 HydrophobicContact CZ-CD1 3.44Å; F744-I748 VanDerWaalsContact CZ-CD1 3.44Å; F744-I748 WeakPolarHBondContact O-CG1 3.27Å; F744-I748 PolarHBondContact O-N 2.88Å; F744-I748 VanDerWaalsContact O-N 3.08Å
745	T	95.2	Very high	92.4	Very high	76 Å²	76	45.7 Å²	45.7	47%	0.466	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-47.2	-177.5	-54.6	0	0	0	0	111.8	W741 F742 C743 C747 I748 L749	W741-T745 WeakPolarHBondContact O-CB 3.33Å; W741-T745 PolarHBondContact O-N 2.9Å; W741-T745 PolarHBondContact O-OG1 3.28Å; F742-T745 PolarHBondContact O-N 3.22Å; C743-T745 VanDerWaalsContact C-N 3.33Å; C743-T745 PolarHBondContact O-N 3.27Å; T745-C747 PolarHBondContact O-N 3.49Å; T745-I748 PolarHBondContact O-N 3.47Å; T745-L749 WeakPolarHBondContact O-CG 3.38Å; T745-L749 PolarHBondContact O-N 2.88Å
746	V	96.1	Very high	92.7	Very high	50 Å²	50	45.9 Å²	45.9	30%	0.303	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-40.7	178.9	175.3	0	0	0	0	110.9	V732 P733 F742 C743 I748 L749 V750	V732-V746 HydrophobicContact CG1-CB 4.42Å; V732-V746 HydrophobicContact CG1-CG1 4.23Å; V732-V746 HydrophobicContact CG2-CG1 4.25Å; P733-V746 HydrophobicContact CG-CG2 4.04Å; F742-V746 WeakPolarHBondContact O-CG2 3.49Å; F742-V746 PolarHBondContact O-N 3.02Å; F742-V746 VanDerWaalsContact O-N 3.11Å; C743-V746 PolarHBondContact O-N 3.49Å; V746-I748 PolarHBondContact O-N 3.45Å; V746-L749 PolarHBondContact O-N 3.36Å; V746-V750 HydrophobicContact CG1-CG2 4.32Å; V746-V750 WeakPolarHBondContact O-CG2 3.23Å; V746-V750 PolarHBondContact O-N 3.28Å
747	C	96	Very high	93.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-46.5	175.3	-80.3	0	0	0	0	112.4	I77 F81 C743 F744 T745 L749 V750 I751	I77-C747 HydrophobicContact CD1-CB 4.5Å; F81-C747 HydrophobicContact CB-CB 3.87Å; F81-C747 HydrophobicContact CD2-CB 3.65Å; F81-C747 HydrophobicContact CG-CB 4.12Å; C743-C747 VanDerWaalsContact O-CB 3.28Å; C743-C747 WeakPolarHBondContact O-CB 3.31Å; C743-C747 PolarHBondContact O-N 3.49Å; C743-C747 PolarHBondContact O-SG 3.32Å; C743-C747 VanDerWaalsContact O-SG 3.33Å; F744-C747 PolarHBondContact O-N 3.44Å; T745-C747 PolarHBondContact O-N 3.49Å; C747-L749 VanDerWaalsContact C-N 3.31Å; C747-L749 PolarHBondContact O-N 2.84Å; C747-V750 PolarHBondContact O-N 3.22Å; C747-I751 WeakPolarHBondContact O-CB 3.32Å; C747-I751 VanDerWaalsContact O-CG1 3.22Å; C747-I751 WeakPolarHBondContact O-CG1 3.47Å; C747-I751 PolarHBondContact O-N 2.94Å
748	I	94.6	Very high	93.6	Very high	47 Å²	47	38.8 Å²	38.8	24%	0.241	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-42.2	178.3	-73.1	176.5	0	0	0	111.3	F81 L132 F744 T745 V746 G752	F81-I748 HydrophobicContact CD2-CG1 4.25Å; F81-I748 HydrophobicContact CE2-CD1 3.79Å; F81-I748 HydrophobicContact CE2-CG1 3.4Å; F81-I748 VanDerWaalsContact CE2-CG1 3.4Å; F81-I748 HydrophobicContact CZ-CD1 3.86Å; F81-I748 HydrophobicContact CZ-CG1 3.61Å; L132-I748 HydrophobicContact CD1-CG2 4.42Å; L132-I748 HydrophobicContact CD2-CG2 4.34Å; F744-I748 HydrophobicContact CD1-CD1 3.9Å; F744-I748 HydrophobicContact CE1-CD1 3.31Å; F744-I748 HydrophobicContact CE2-CD1 4.12Å; F744-I748 HydrophobicContact CZ-CD1 3.44Å; F744-I748 VanDerWaalsContact CZ-CD1 3.44Å; F744-I748 WeakPolarHBondContact O-CG1 3.27Å; F744-I748 PolarHBondContact O-N 2.88Å; F744-I748 VanDerWaalsContact O-N 3.08Å; T745-I748 PolarHBondContact O-N 3.47Å; V746-I748 PolarHBondContact O-N 3.45Å; I748-G752 PolarHBondContact O-N 2.95Å
749	L	95.5	Very high	94	Very high	116 Å²	116	37 Å²	37	61%	0.607	20%	0.202	S	C	*	.	H	α-helix	trans	-63.6	-45.4	177.9	-66.6	175.5	0	0	0	111.6	T745 V746 C747 G752 V753	T745-L749 WeakPolarHBondContact O-CG 3.38Å; T745-L749 PolarHBondContact O-N 2.88Å; V746-L749 PolarHBondContact O-N 3.36Å; C747-L749 VanDerWaalsContact C-N 3.31Å; C747-L749 PolarHBondContact O-N 2.84Å; L749-G752 PolarHBondContact O-N 2.93Å; L749-V753 WeakPolarHBondContact O-CG2 3.48Å; L749-V753 PolarHBondContact O-N 2.6Å
750	V	96.4	Very high	94.3	Very high	39 Å²	39	36.2 Å²	36.2	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43.7	178.7	174.7	0	0	0	0	111.4	I77 F729 V746 C747 G752 V753 L754	I77-V750 HydrophobicContact CD1-CB 4.35Å; I77-V750 HydrophobicContact CD1-CG1 4.11Å; I77-V750 HydrophobicContact CG1-CB 4.19Å; I77-V750 HydrophobicContact CG1-CG1 3.87Å; F729-V750 HydrophobicContact CD1-CG1 4.03Å; F729-V750 HydrophobicContact CE1-CG1 3.53Å; F729-V750 HydrophobicContact CZ-CG1 4.37Å; V746-V750 HydrophobicContact CG1-CG2 4.32Å; V746-V750 WeakPolarHBondContact O-CG2 3.23Å; V746-V750 PolarHBondContact O-N 3.28Å; C747-V750 PolarHBondContact O-N 3.22Å; V750-G752 VanDerWaalsContact C-N 3.29Å; V750-G752 PolarHBondContact O-N 2.97Å; V750-V753 PolarHBondContact O-N 3.45Å; V750-L754 HydrophobicContact CG1-CD1 4.01Å; V750-L754 WeakPolarHBondContact O-CG 3.09Å; V750-L754 PolarHBondContact O-N 3.2Å
751	I	95.6	Very high	94.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-45	173.6	-67.1	165.8	0	0	0	109.4	I77 F81 P129 L132 C747 V753 L754 T755	I77-I751 HydrophobicContact CB-CG1 4.39Å; I77-I751 HydrophobicContact CG1-CG1 3.94Å; I77-I751 HydrophobicContact CG2-CD1 4.47Å; I77-I751 HydrophobicContact CG2-CG1 3.59Å; F81-I751 HydrophobicContact CB-CD1 3.92Å; F81-I751 HydrophobicContact CD1-CD1 3.83Å; F81-I751 HydrophobicContact CE1-CD1 4.5Å; F81-I751 HydrophobicContact CG-CD1 3.89Å; P129-I751 HydrophobicContact CG-CG2 4.33Å; L132-I751 HydrophobicContact CD1-CB 3.98Å; L132-I751 HydrophobicContact CD1-CG2 3.54Å; C747-I751 WeakPolarHBondContact O-CB 3.32Å; C747-I751 VanDerWaalsContact O-CG1 3.22Å; C747-I751 WeakPolarHBondContact O-CG1 3.47Å; C747-I751 PolarHBondContact O-N 2.94Å; I751-V753 PolarHBondContact O-N 2.97Å; I751-L754 PolarHBondContact O-N 2.95Å; I751-T755 HydrophobicContact CG2-CG2 3.79Å; I751-T755 WeakPolarHBondContact O-CB 3.45Å; I751-T755 WeakPolarHBondContact O-CG2 3.45Å; I751-T755 PolarHBondContact O-N 3.39Å; I751-T755 PolarHBondContact O-OG1 3.46Å
752	G	94.6	Very high	94.7	Very high	10 Å²	10	31.1 Å²	31.1	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-51.3	176.4	0	0	0	0	0	112.1	I136 I748 L749 V750 L754 T755 A756	I136-G752 WeakPolarHBondContact CD1-O 3.37Å; I748-G752 PolarHBondContact O-N 2.95Å; L749-G752 PolarHBondContact O-N 2.93Å; V750-G752 VanDerWaalsContact C-N 3.29Å; V750-G752 PolarHBondContact O-N 2.97Å; G752-L754 PolarHBondContact O-N 3.29Å; G752-T755 WeakPolarHBondContact CA-OG1 3.48Å; G752-T755 PolarHBondContact O-N 3.24Å; G752-T755 PolarHBondContact O-OG1 3.33Å; G752-A756 WeakPolarHBondContact O-CB 3.39Å; G752-A756 PolarHBondContact O-N 3.26Å
753	V	95.2	Very high	94.5	Very high	88 Å²	88	25.9 Å²	25.9	53%	0.533	15%	0.153	S	C	.	.	H	α-helix	trans	-60.5	-45.9	177.2	174.4	0	0	0	0	111.9	L749 V750 I751 T755 A756 V757	L749-V753 WeakPolarHBondContact O-CG2 3.48Å; L749-V753 PolarHBondContact O-N 2.6Å; V750-V753 PolarHBondContact O-N 3.45Å; I751-V753 PolarHBondContact O-N 2.97Å; V753-T755 PolarHBondContact O-N 2.67Å; V753-A756 WeakPolarHBondContact O-CB 3.44Å; V753-A756 PolarHBondContact O-N 2.95Å; V753-V757 WeakPolarHBondContact O-CG2 3.42Å; V753-V757 PolarHBondContact O-N 3.32Å; V753-V757 VanDerWaalsContact O-N 3.16Å
754	L	95.5	Very high	94.3	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-39.9	179.5	-72	168.9	0	0	0	112.5	L70 V74 I77 W725 F729 V750 I751 G752 V757 I758	L70-L754 HydrophobicContact CD2-CD2 4.3Å; V74-L754 HydrophobicContact CG2-CB 3.79Å; V74-L754 HydrophobicContact CG2-CD1 4.3Å; I77-L754 HydrophobicContact CG2-CD1 3.9Å; W725-L754 HydrophobicContact CH2-CD2 3.62Å; W725-L754 HydrophobicContact CZ3-CD2 3.68Å; F729-L754 HydrophobicContact CE1-CD1 4.14Å; F729-L754 HydrophobicContact CZ-CD1 3.63Å; V750-L754 HydrophobicContact CG1-CD1 4.01Å; V750-L754 WeakPolarHBondContact O-CG 3.09Å; V750-L754 PolarHBondContact O-N 3.2Å; I751-L754 PolarHBondContact O-N 2.95Å; G752-L754 PolarHBondContact O-N 3.29Å; L754-V757 PolarHBondContact O-N 3.49Å; L754-I758 WeakPolarHBondContact O-CG1 3.4Å; L754-I758 PolarHBondContact O-N 3.34Å
755	T	93.8	Very high	94.2	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-35.8	178.6	57.5	0	0	0	0	112	P129 I751 G752 V753 I758 G759	P129-T755 HydrophobicContact CB-CG2 3.83Å; I751-T755 HydrophobicContact CG2-CG2 3.79Å; I751-T755 WeakPolarHBondContact O-CB 3.45Å; I751-T755 WeakPolarHBondContact O-CG2 3.45Å; I751-T755 PolarHBondContact O-N 3.39Å; I751-T755 PolarHBondContact O-OG1 3.46Å; G752-T755 WeakPolarHBondContact CA-OG1 3.48Å; G752-T755 PolarHBondContact O-N 3.24Å; G752-T755 PolarHBondContact O-OG1 3.33Å; V753-T755 PolarHBondContact O-N 2.67Å; T755-I758 PolarHBondContact O-N 3.47Å; T755-G759 PolarHBondContact O-N 3.23Å
756	A	93.6	Very high	93.9	Very high	6 Å²	6	21.9 Å²	21.9	5%	0.05	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-47.4	171.2	0	0	0	0	0	111.3	I41 I136 G752 V753 I758 G759 D760	I41-A756 HydrophobicContact CD1-CB 3.51Å; I41-A756 HydrophobicContact CG1-CB 4.35Å; I136-A756 HydrophobicContact CD1-CB 4.36Å; I136-A756 HydrophobicContact CG2-CB 3.9Å; G752-A756 WeakPolarHBondContact O-CB 3.39Å; G752-A756 PolarHBondContact O-N 3.26Å; V753-A756 WeakPolarHBondContact O-CB 3.44Å; V753-A756 PolarHBondContact O-N 2.95Å; A756-I758 PolarHBondContact O-N 3.1Å; A756-G759 PolarHBondContact O-N 2.69Å; A756-D760 PolarHBondContact O-N 3.15Å; A756-D760 VanDerWaalsContact O-N 3.09Å
757	V	95.2	Very high	93.4	Very high	28 Å²	28	20.7 Å²	20.7	17%	0.17	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-40.7	176.3	176.3	0	0	0	0	111.6	I41 V42 L70 V753 L754 G759 D760 V761	I41-V757 HydrophobicContact CB-CG2 4.48Å; I41-V757 HydrophobicContact CD1-CG2 4.12Å; I41-V757 HydrophobicContact CG2-CG2 4.19Å; V42-V757 HydrophobicContact CG2-CG1 3.94Å; V42-V757 HydrophobicContact CG2-CG2 4.45Å; L70-V757 HydrophobicContact CD1-CG1 3.78Å; L70-V757 HydrophobicContact CD2-CG1 4.02Å; V753-V757 WeakPolarHBondContact O-CG2 3.42Å; V753-V757 PolarHBondContact O-N 3.32Å; V753-V757 VanDerWaalsContact O-N 3.16Å; L754-V757 PolarHBondContact O-N 3.49Å; V757-G759 VanDerWaalsContact C-N 3.3Å; V757-G759 PolarHBondContact O-N 3.32Å; V757-D760 PolarHBondContact O-N 3.02Å; V757-V761 HydrophobicContact CG1-CG2 4.25Å; V757-V761 WeakPolarHBondContact O-CB 3.44Å; V757-V761 VanDerWaalsContact O-CG2 3.28Å; V757-V761 WeakPolarHBondContact O-CG2 3.35Å; V757-V761 PolarHBondContact O-N 3.34Å
758	I	94.9	Very high	92.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-43.6	173.7	-76.1	168.5	0	0	0	110.6	L67 L70 F71 V74 L754 T755 A756 D760 V761 A762 V781	L67-I758 HydrophobicContact CD1-CG2 3.93Å; L70-I758 HydrophobicContact CB-CD1 4.08Å; L70-I758 HydrophobicContact CB-CG1 3.61Å; L70-I758 HydrophobicContact CD1-CG1 4.1Å; L70-I758 HydrophobicContact CG-CG1 4.38Å; F71-I758 HydrophobicContact CD1-CD1 3.95Å; F71-I758 HydrophobicContact CE1-CD1 4.07Å; F71-I758 HydrophobicContact CE1-CG2 3.76Å; F71-I758 HydrophobicContact CZ-CG2 4.23Å; V74-I758 HydrophobicContact CB-CD1 4.3Å; V74-I758 HydrophobicContact CG2-CD1 3.36Å; L754-I758 WeakPolarHBondContact O-CG1 3.4Å; L754-I758 PolarHBondContact O-N 3.34Å; T755-I758 PolarHBondContact O-N 3.47Å; A756-I758 PolarHBondContact O-N 3.1Å; I758-D760 PolarHBondContact O-N 2.66Å; I758-V761 PolarHBondContact O-N 3.36Å; I758-A762 WeakPolarHBondContact O-CB 3.43Å; I758-A762 PolarHBondContact O-N 3.01Å; I758-V781 HydrophobicContact CG2-CG1 4.25Å
759	G	92.7	Very high	92.5	Very high	6 Å²	6	24 Å²	24	6%	0.062	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-48.7	178	0	0	0	0	0	112.2	T755 A756 V757 A762 S763	T755-G759 PolarHBondContact O-N 3.23Å; A756-G759 PolarHBondContact O-N 2.69Å; V757-G759 VanDerWaalsContact C-N 3.3Å; V757-G759 PolarHBondContact O-N 3.32Å; G759-A762 PolarHBondContact O-N 3.27Å; G759-S763 PolarHBondContact O-N 2.9Å
760	D	92.9	Very high	92	Very high	10 Å²	10	20 Å²	20	5%	0.053	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-45.5	179.3	-65.6	-17.8	0	0	0	112.7	G39 I40 I41 V42 A756 V757 I758 A762 S763 S764	G39-D760 VanDerWaalsContact CA-CG 3.41Å; G39-D760 VanDerWaalsContact CA-OD1 3.24Å; G39-D760 WeakPolarHBondContact CA-OD1 3.43Å; I40-D760 PolarHBondContact N-OD1 2.7Å; I40-D760 PolarHBondContact N-OD2 3.2Å; I40-D760 VanDerWaalsContact N-OD2 3.13Å; I41-D760 WeakPolarHBondContact CA-OD2 3.06Å; I41-D760 PolarHBondContact N-OD2 2.93Å; V42-D760 HydrophobicContact CB-CB 4Å; V42-D760 HydrophobicContact CG2-CB 4.41Å; V42-D760 PolarHBondContact N-OD2 3.45Å; A756-D760 PolarHBondContact O-N 3.15Å; A756-D760 VanDerWaalsContact O-N 3.09Å; V757-D760 PolarHBondContact O-N 3.02Å; I758-D760 PolarHBondContact O-N 2.66Å; D760-A762 VanDerWaalsContact C-N 3.34Å; D760-S763 PolarHBondContact O-N 3.2Å; D760-S764 WeakPolarHBondContact O-CB 3.25Å; D760-S764 PolarHBondContact O-N 3.33Å; D760-S764 PolarHBondContact O-OG 3.21Å
761	V	93.9	Very high	91.6	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.055	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-38.5	179	171.4	0	0	0	0	110.6	Y63 A66 L67 L70 V757 I758 S764 F765	Y63-V761 HydrophobicContact CD1-CG1 4.21Å; A66-V761 HydrophobicContact CB-CG1 4.27Å; L67-V761 HydrophobicContact CB-CG1 4.07Å; L67-V761 HydrophobicContact CD1-CG1 4.33Å; L70-V761 HydrophobicContact CD1-CB 4.28Å; L70-V761 HydrophobicContact CD1-CG1 4.47Å; L70-V761 HydrophobicContact CD1-CG2 4.01Å; V757-V761 HydrophobicContact CG1-CG2 4.25Å; V757-V761 WeakPolarHBondContact O-CB 3.44Å; V757-V761 VanDerWaalsContact O-CG2 3.28Å; V757-V761 WeakPolarHBondContact O-CG2 3.35Å; V757-V761 PolarHBondContact O-N 3.34Å; I758-V761 PolarHBondContact O-N 3.36Å; V761-S764 PolarHBondContact O-N 3.05Å; V761-F765 VanDerWaalsContact O-CB 3.24Å; V761-F765 WeakPolarHBondContact O-CB 3.47Å; V761-F765 PolarHBondContact O-N 2.76Å
762	A	93.5	Very high	91.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-47.4	176.7	0	0	0	0	0	111.6	L67 I758 G759 D760 S764 F765 G766 T776 V781	L67-A762 HydrophobicContact CD1-CB 4.14Å; I758-A762 WeakPolarHBondContact O-CB 3.43Å; I758-A762 PolarHBondContact O-N 3.01Å; G759-A762 PolarHBondContact O-N 3.27Å; D760-A762 VanDerWaalsContact C-N 3.34Å; A762-S764 VanDerWaalsContact C-N 3.31Å; A762-S764 PolarHBondContact O-N 3.38Å; A762-F765 WeakPolarHBondContact O-CB 3.4Å; A762-F765 PolarHBondContact O-N 2.9Å; A762-G766 PolarHBondContact O-N 3.15Å; A762-T776 HydrophobicContact CB-CG2 4.29Å; A762-T776 WeakPolarHBondContact O-CG2 3.47Å; A762-V781 HydrophobicContact CB-CG2 3.48Å; A762-V781 VanDerWaalsContact CB-CG2 3.48Å
763	S	90.3	Very high	90.9	Very high	18 Å²	18	20.1 Å²	20.1	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-40.7	176.4	-173.5	0	0	0	0	111.4	G759 D760 F765 G766 C767 D773	G759-S763 PolarHBondContact O-N 2.9Å; D760-S763 PolarHBondContact O-N 3.2Å; S763-F765 PolarHBondContact O-N 3.42Å; S763-G766 PolarHBondContact O-N 2.86Å; S763-C767 WeakPolarHBondContact O-CB 3.31Å; S763-C767 PolarHBondContact O-N 3.47Å; S763-D773 WeakPolarHBondContact CB-OD1 3.38Å; S763-D773 PolarHBondContact OG-OD1 2.92Å
764	S	90.4	Very high	90.6	Very high	7 Å²	7	16.2 Å²	16.2	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-38.8	175	-62.4	0	0	0	0	113.3	D760 V761 A762 S768	D760-S764 WeakPolarHBondContact O-CB 3.25Å; D760-S764 PolarHBondContact O-N 3.33Å; D760-S764 PolarHBondContact O-OG 3.21Å; V761-S764 PolarHBondContact O-N 3.05Å; A762-S764 VanDerWaalsContact C-N 3.31Å; A762-S764 PolarHBondContact O-N 3.38Å; S764-S768 WeakPolarHBondContact O-CB 3.48Å; S764-S768 PolarHBondContact O-N 2.95Å; S764-S768 PolarHBondContact O-OG 3.41Å
765	F	91.7	Very high	90.4	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.022	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-51.1	173.6	169.8	-108.3	0	0	0	111.2	A60 F64 V761 A762 S763 C767 S768 I769 T776 F780	A60-F765 HydrophobicContact CB-CE2 4.44Å; A60-F765 WeakPolarHBondContact O-CD2 3.41Å; F64-F765 HydrophobicContact CB-CD2 4.02Å; F64-F765 HydrophobicContact CB-CE2 3.62Å; F64-F765 HydrophobicContact CB-CZ 4.33Å; F64-F765 HydrophobicContact CD2-CE1 4.42Å; F64-F765 AromaticContact CD2-CE2 3.93Å; F64-F765 HydrophobicContact CD2-CE2 3.93Å; F64-F765 AromaticContact CD2-CZ 3.75Å; F64-F765 HydrophobicContact CD2-CZ 3.75Å; F64-F765 HydrophobicContact CG-CE2 4.18Å; F64-F765 HydrophobicContact CG-CZ 4.43Å; V761-F765 VanDerWaalsContact O-CB 3.24Å; V761-F765 WeakPolarHBondContact O-CB 3.47Å; V761-F765 PolarHBondContact O-N 2.76Å; A762-F765 WeakPolarHBondContact O-CB 3.4Å; A762-F765 PolarHBondContact O-N 2.9Å; S763-F765 PolarHBondContact O-N 3.42Å; F765-C767 VanDerWaalsContact C-N 3.29Å; F765-C767 PolarHBondContact O-N 3.4Å; F765-S768 WeakPolarHBondContact O-CB 3.32Å; F765-S768 PolarHBondContact O-N 2.93Å; F765-S768 VanDerWaalsContact O-N 3.08Å; F765-I769 HydrophobicContact CD2-CD1 4.09Å; F765-I769 HydrophobicContact CE1-CD1 4.02Å; F765-I769 HydrophobicContact CE2-CD1 3.26Å; F765-I769 HydrophobicContact CE2-CG1 4.17Å; F765-I769 HydrophobicContact CZ-CD1 3.23Å; F765-I769 HydrophobicContact CZ-CG1 4.42Å; F765-I769 PolarHBondContact O-N 3.5Å; F765-T776 HydrophobicContact CD1-CG2 4.23Å; F765-F780 HydrophobicContact CE1-CD1 4.31Å; F765-F780 AromaticContact CE1-CD2 3.68Å; F765-F780 HydrophobicContact CE1-CD2 3.68Å; F765-F780 HydrophobicContact CE1-CE1 4.37Å; F765-F780 AromaticContact CE1-CE2 3.76Å; F765-F780 HydrophobicContact CE1-CE2 3.76Å; F765-F780 AromaticContact CE1-CG 3.97Å; F765-F780 HydrophobicContact CE1-CG 3.97Å; F765-F780 HydrophobicContact CE1-CZ 4.11Å; F765-F780 HydrophobicContact CZ-CE1 4.45Å; F765-F780 HydrophobicContact CZ-CE2 4.32Å; F765-F780 HydrophobicContact CZ-CZ 4.25Å
766	G	89.6	Confident	90.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.6	-48.7	177.1	0	0	0	0	0	110.6	A762 S763 S768 I769 G770 L771 T776	A762-G766 PolarHBondContact O-N 3.15Å; S763-G766 PolarHBondContact O-N 2.86Å; G766-S768 VanDerWaalsContact C-N 3.32Å; G766-S768 PolarHBondContact O-N 3.38Å; G766-I769 PolarHBondContact O-N 2.96Å; G766-G770 PolarHBondContact O-N 3.46Å; G766-L771 CarbonylContact C-O 3.49Å; G766-L771 PolarHBondContact O-N 3.28Å; G766-T776 WeakPolarHBondContact CA-OG1 3.17Å
767	C	85.9	Confident	90.3	Very high	24 Å²	24	15.9 Å²	15.9	16%	0.162	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-36.9	177.7	-159.7	0	0	0	0	113.5	T34 C36 S763 F765 I769 G770	T34-C767 PolarHBondContact O-SG 3.19Å; C36-C767 WeakPolarHBondContact CA-SG 3.37Å; C36-C767 HydrophobicContact CB-CB 3.85Å; C36-C767 WeakPolarHBondContact CB-SG 3.31Å; C36-C767 PolarHBondContact N-SG 2.9Å; C36-C767 VanDerWaalsContact N-SG 3.35Å; C36-C767 WeakPolarHBondContact SG-CB 3.1Å; C36-C767 CovalentContact SG-SG 2.01Å; C36-C767 PolarHBondContact SG-SG 2.87Å; S763-C767 WeakPolarHBondContact O-CB 3.31Å; S763-C767 PolarHBondContact O-N 3.47Å; F765-C767 VanDerWaalsContact C-N 3.29Å; F765-C767 PolarHBondContact O-N 3.4Å; C767-I769 VanDerWaalsContact C-N 3.3Å; C767-I769 PolarHBondContact O-N 3.33Å; C767-G770 PolarHBondContact O-N 3.13Å
768	S	85.8	Confident	90.3	Very high	26 Å²	26	14.9 Å²	14.9	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-32.9	179.4	-61.9	0	0	0	0	112.9	S764 F765 G766	S764-S768 WeakPolarHBondContact O-CB 3.48Å; S764-S768 PolarHBondContact O-N 2.95Å; S764-S768 PolarHBondContact O-OG 3.41Å; F765-S768 WeakPolarHBondContact O-CB 3.32Å; F765-S768 PolarHBondContact O-N 2.93Å; F765-S768 VanDerWaalsContact O-N 3.08Å; G766-S768 VanDerWaalsContact C-N 3.32Å; G766-S768 PolarHBondContact O-N 3.38Å
769	I	86.8	Confident	90.2	Very high	91 Å²	91	15.9 Å²	15.9	47%	0.467	10%	0.101	S	C	.	.	H	α-helix	trans	-90.1	-23.4	177.5	-62.4	-176.2	0	0	0	112	A60 F765 G766 C767 L771	A60-I769 HydrophobicContact CB-CD1 4.11Å; A60-I769 HydrophobicContact CB-CG1 3.7Å; F765-I769 HydrophobicContact CD2-CD1 4.09Å; F765-I769 HydrophobicContact CE1-CD1 4.02Å; F765-I769 HydrophobicContact CE2-CD1 3.26Å; F765-I769 HydrophobicContact CE2-CG1 4.17Å; F765-I769 HydrophobicContact CZ-CD1 3.23Å; F765-I769 HydrophobicContact CZ-CG1 4.42Å; F765-I769 PolarHBondContact O-N 3.5Å; G766-I769 PolarHBondContact O-N 2.96Å; C767-I769 VanDerWaalsContact C-N 3.3Å; C767-I769 PolarHBondContact O-N 3.33Å; I769-L771 HydrophobicContact CB-CG 4.3Å; I769-L771 HydrophobicContact CG2-CD1 4.37Å; I769-L771 HydrophobicContact CG2-CD2 4.49Å; I769-L771 HydrophobicContact CG2-CG 4Å
770	G	83.1	Confident	90.3	Very high	33 Å²	33	18.6 Å²	18.6	34%	0.34	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	26.6	-171.9	0	0	0	0	0	113.6	G766 C767 Y907	G766-G770 PolarHBondContact O-N 3.46Å; C767-G770 PolarHBondContact O-N 3.13Å; G770-Y907 PolarHBondContact O-OH 2.8Å
771	L	88.3	Confident	90.4	Very high	33 Å²	33	18.1 Å²	18.1	17%	0.173	11%	0.109	C	C	.	.			trans	-87.4	143.4	169.8	-58	179.7	0	0	0	110.4	G766 I769 V775 T776 F780 Y907	G766-L771 CarbonylContact C-O 3.49Å; G766-L771 PolarHBondContact O-N 3.28Å; I769-L771 HydrophobicContact CB-CG 4.3Å; I769-L771 HydrophobicContact CG2-CD1 4.37Å; I769-L771 HydrophobicContact CG2-CD2 4.49Å; I769-L771 HydrophobicContact CG2-CG 4Å; L771-V775 HydrophobicContact CD2-CG1 4.32Å; L771-T776 WeakPolarHBondContact CB-OG1 3.4Å; L771-F780 HydrophobicContact CD1-CD2 4.34Å; L771-F780 HydrophobicContact CD1-CE2 3.71Å; L771-Y907 WeakPolarHBondContact CA-OH 3.26Å; L771-Y907 WeakPolarHBondContact CD2-OH 3.47Å
772	T	87.2	Confident	90.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	11%	0.106	C	C	.	.			trans	-71.6	157.5	169.3	64	0	0	0	0	110	T34 A774 V775 T776	T34-T772 HydrophobicContact CG2-CG2 4.3Å; T772-A774 VanDerWaalsContact C-N 3.25Å; T772-A774 PolarHBondContact O-N 2.75Å; T772-V775 PolarHBondContact O-N 3.25Å; T772-V775 WeakPolarHBondContact OG1-CG2 3.45Å; T772-V775 PolarHBondContact OG1-N 3.39Å; T772-T776 WeakPolarHBondContact O-CB 3.46Å; T772-T776 PolarHBondContact O-N 3.46Å; T772-T776 PolarHBondContact O-OG1 2.97Å
773	D	88.7	Confident	90.4	Very high	18 Å²	18	20.7 Å²	20.7	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-41.4	175.2	-75.8	-15.4	0	0	0	111.2	D147 L148 S763 V775 T776 A777	D147-D773 HydrophobicContact CB-CB 4.35Å; L148-D773 HydrophobicContact CD1-CB 4.21Å; S763-D773 WeakPolarHBondContact CB-OD1 3.38Å; S763-D773 PolarHBondContact OG-OD1 2.92Å; D773-V775 PolarHBondContact O-N 2.98Å; D773-T776 PolarHBondContact O-N 2.71Å; D773-A777 WeakPolarHBondContact O-CB 3.4Å; D773-A777 PolarHBondContact O-N 3.27Å
774	A	89.1	Confident	90.5	Very high	5 Å²	5	20 Å²	20	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-47.9	177.2	0	0	0	0	0	113.1	D147 T772 A777 I778	D147-A774 HydrophobicContact CB-CB 4.26Å; T772-A774 VanDerWaalsContact C-N 3.25Å; T772-A774 PolarHBondContact O-N 2.75Å; A774-A777 PolarHBondContact O-N 3Å; A774-I778 WeakPolarHBondContact O-CB 3.5Å; A774-I778 WeakPolarHBondContact O-CD1 3.44Å; A774-I778 VanDerWaalsContact O-CG1 3.26Å; A774-I778 WeakPolarHBondContact O-CG1 3.32Å; A774-I778 PolarHBondContact O-N 2.94Å
775	V	91.6	Very high	90.6	Very high	17 Å²	17	20 Å²	20	10%	0.103	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-40.7	179	174.6	0	0	0	0	110.5	L771 T772 D773 A777 I778 T779 N906 Y907	L771-V775 HydrophobicContact CD2-CG1 4.32Å; T772-V775 PolarHBondContact O-N 3.25Å; T772-V775 WeakPolarHBondContact OG1-CG2 3.45Å; T772-V775 PolarHBondContact OG1-N 3.39Å; D773-V775 PolarHBondContact O-N 2.98Å; V775-A777 VanDerWaalsContact C-N 3.31Å; V775-A777 PolarHBondContact O-N 2.98Å; V775-I778 PolarHBondContact O-N 2.99Å; V775-T779 HydrophobicContact CG1-CG2 4.39Å; V775-T779 WeakPolarHBondContact O-CB 3.4Å; V775-T779 WeakPolarHBondContact O-CG2 3.32Å; V775-T779 PolarHBondContact O-N 2.88Å; V775-T779 VanDerWaalsContact O-N 3.1Å; V775-T779 PolarHBondContact O-OG1 3.17Å; V775-N906 HydrophobicContact CG2-CB 3.74Å; V775-Y907 HydrophobicContact CG2-CE2 4.49Å
776	T	92.2	Very high	90.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.9	-54.7	0	0	0	0	111.4	A762 F765 G766 L771 T772 D773 F780 V781	A762-T776 HydrophobicContact CB-CG2 4.29Å; A762-T776 WeakPolarHBondContact O-CG2 3.47Å; F765-T776 HydrophobicContact CD1-CG2 4.23Å; G766-T776 WeakPolarHBondContact CA-OG1 3.17Å; L771-T776 WeakPolarHBondContact CB-OG1 3.4Å; T772-T776 WeakPolarHBondContact O-CB 3.46Å; T772-T776 PolarHBondContact O-N 3.46Å; T772-T776 PolarHBondContact O-OG1 2.97Å; D773-T776 PolarHBondContact O-N 2.71Å; T776-F780 PolarHBondContact O-N 3.17Å; T776-V781 PolarHBondContact O-N 2.9Å
777	A	93.6	Very high	90.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-63.6	-49.9	177.2	0	0	0	0	0	112.4	L148 D773 A774 V775 T779 A782	L148-A777 HydrophobicContact CD1-CB 3.91Å; L148-A777 HydrophobicContact CG-CB 4.36Å; L148-A777 VanDerWaalsContact O-CB 3.28Å; L148-A777 WeakPolarHBondContact O-CB 3.15Å; D773-A777 WeakPolarHBondContact O-CB 3.4Å; D773-A777 PolarHBondContact O-N 3.27Å; A774-A777 PolarHBondContact O-N 3Å; V775-A777 VanDerWaalsContact C-N 3.31Å; V775-A777 PolarHBondContact O-N 2.98Å; A777-T779 VanDerWaalsContact C-N 3.27Å; A777-T779 PolarHBondContact O-N 2.76Å; A777-A782 WeakPolarHBondContact O-CB 3.42Å; A777-A782 PolarHBondContact O-N 3.04Å
778	I	94.3	Very high	90.6	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.036	12%	0.123	C	C	.	.	I	π-helix	trans	-67.6	-28.3	-176.2	-68.6	165.4	0	0	0	112.1	G151 A774 V775 Y898 I899 A902	G151-I778 VanDerWaalsContact O-CG1 3.31Å; G151-I778 WeakPolarHBondContact O-CG1 3.47Å; A774-I778 WeakPolarHBondContact O-CB 3.5Å; A774-I778 WeakPolarHBondContact O-CD1 3.44Å; A774-I778 VanDerWaalsContact O-CG1 3.26Å; A774-I778 WeakPolarHBondContact O-CG1 3.32Å; A774-I778 PolarHBondContact O-N 2.94Å; V775-I778 PolarHBondContact O-N 2.99Å; I778-Y898 HydrophobicContact CG2-CE1 3.51Å; I778-I899 HydrophobicContact CG2-CG1 4.45Å; I778-A902 HydrophobicContact CD1-CB 4.37Å
779	T	93.5	Very high	90.8	Very high	23 Å²	23	20.4 Å²	20.4	14%	0.141	12%	0.116	C	C	.	.	I	π-helix	trans	-99.6	-62.5	-174.5	56.1	0	0	0	0	112.9	V775 A777 L783 I899	V775-T779 HydrophobicContact CG1-CG2 4.39Å; V775-T779 WeakPolarHBondContact O-CB 3.4Å; V775-T779 WeakPolarHBondContact O-CG2 3.32Å; V775-T779 PolarHBondContact O-N 2.88Å; V775-T779 VanDerWaalsContact O-N 3.1Å; V775-T779 PolarHBondContact O-OG1 3.17Å; A777-T779 VanDerWaalsContact C-N 3.27Å; A777-T779 PolarHBondContact O-N 2.76Å; T779-L783 WeakPolarHBondContact O-CB 3.4Å; T779-I899 HydrophobicContact CG2-CD1 4.17Å; T779-I899 HydrophobicContact CG2-CG1 4.26Å; T779-I899 HydrophobicContact CG2-CG2 3.64Å
780	F	93.8	Very high	90.9	Very high	64 Å²	64	16.8 Å²	16.8	28%	0.281	10%	0.098	S	C	.	.	I	π-helix	trans	-90.4	-44.5	-169.8	-65.7	-76.6	0	0	0	112.6	F64 L67 F765 L771 T776 G784	F64-F780 AromaticContact CE2-CD1 3.99Å; F64-F780 HydrophobicContact CE2-CD1 3.99Å; F64-F780 HydrophobicContact CE2-CE1 4.01Å; L67-F780 HydrophobicContact CD2-CB 4.36Å; F765-F780 HydrophobicContact CE1-CD1 4.31Å; F765-F780 AromaticContact CE1-CD2 3.68Å; F765-F780 HydrophobicContact CE1-CD2 3.68Å; F765-F780 HydrophobicContact CE1-CE1 4.37Å; F765-F780 AromaticContact CE1-CE2 3.76Å; F765-F780 HydrophobicContact CE1-CE2 3.76Å; F765-F780 AromaticContact CE1-CG 3.97Å; F765-F780 HydrophobicContact CE1-CG 3.97Å; F765-F780 HydrophobicContact CE1-CZ 4.11Å; F765-F780 HydrophobicContact CZ-CE1 4.45Å; F765-F780 HydrophobicContact CZ-CE2 4.32Å; F765-F780 HydrophobicContact CZ-CZ 4.25Å; L771-F780 HydrophobicContact CD1-CD2 4.34Å; L771-F780 HydrophobicContact CD1-CE2 3.71Å; T776-F780 PolarHBondContact O-N 3.17Å; F780-G784 PolarHBondContact O-N 3.32Å
781	V	95.2	Very high	91.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-69.8	-49.6	-178.4	-172.4	0	0	0	0	110.7	L133 T152 I758 A762 T776 L783 G784 T785	L133-V781 HydrophobicContact CD2-CG1 3.93Å; T152-V781 HydrophobicContact CG2-CB 4.46Å; T152-V781 HydrophobicContact CG2-CG1 3.89Å; T152-V781 WeakPolarHBondContact OG1-CG1 3.45Å; I758-V781 HydrophobicContact CG2-CG1 4.25Å; A762-V781 HydrophobicContact CB-CG2 3.48Å; A762-V781 VanDerWaalsContact CB-CG2 3.48Å; T776-V781 PolarHBondContact O-N 2.9Å; V781-L783 VanDerWaalsContact C-N 3.31Å; V781-L783 PolarHBondContact O-N 3.47Å; V781-G784 PolarHBondContact O-N 3.23Å; V781-G784 VanDerWaalsContact O-N 3.13Å; V781-T785 HydrophobicContact CG1-CG2 4.35Å; V781-T785 PolarHBondContact O-N 3.42Å; V781-T785 PolarHBondContact O-OG1 3.1Å
782	A	94.4	Very high	91.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-57.7	-42.5	176.7	0	0	0	0	0	112.8	G155 S156 A777 T785 S786	G155-A782 VanDerWaalsContact C-CB 3.47Å; S156-A782 VanDerWaalsContact N-CB 3.33Å; S156-A782 VanDerWaalsContact OG-CA 3.3Å; S156-A782 WeakPolarHBondContact OG-CA 3.41Å; S156-A782 WeakPolarHBondContact OG-CB 3.41Å; S156-A782 PolarHBondContact OG-O 3Å; A777-A782 WeakPolarHBondContact O-CB 3.42Å; A777-A782 PolarHBondContact O-N 3.04Å; A782-T785 PolarHBondContact O-OG1 2.86Å; A782-S786 VanDerWaalsContact O-CB 3.22Å; A782-S786 WeakPolarHBondContact O-CB 3Å; A782-S786 PolarHBondContact O-N 3.35Å; A782-S786 VanDerWaalsContact O-N 3.14Å; A782-S786 PolarHBondContact O-OG 3.39Å
783	L	93.2	Very high	91.3	Very high	62 Å²	62	17.6 Å²	17.6	33%	0.325	9%	0.093	S	C	.	.	H	α-helix	trans	-59.4	-52.1	174.4	174.7	67.5	0	0	0	110.4	F159 T779 V781 T785 S786 L787	F159-L783 HydrophobicContact CD2-CD1 4.11Å; F159-L783 HydrophobicContact CE1-CD1 4.28Å; F159-L783 HydrophobicContact CE2-CD1 3.29Å; F159-L783 HydrophobicContact CZ-CD1 3.39Å; T779-L783 WeakPolarHBondContact O-CB 3.4Å; V781-L783 VanDerWaalsContact C-N 3.31Å; V781-L783 PolarHBondContact O-N 3.47Å; L783-T785 PolarHBondContact O-N 2.87Å; L783-S786 PolarHBondContact O-N 2.97Å; L783-L787 HydrophobicContact CD1-CD2 4.43Å; L783-L787 WeakPolarHBondContact O-CG 3.46Å; L783-L787 PolarHBondContact O-N 2.79Å; L783-L787 VanDerWaalsContact O-N 3.1Å
784	G	93	Very high	91.4	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-43.6	-175.5	0	0	0	0	0	113.9	F780 V781	F780-G784 PolarHBondContact O-N 3.32Å; V781-G784 PolarHBondContact O-N 3.23Å; V781-G784 VanDerWaalsContact O-N 3.13Å
785	T	91.3	Very high	91.3	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-74	-29.7	179.7	63.1	0	0	0	0	112.8	F71 P129 E130 S156 V781 A782 L783 P788	F71-T785 HydrophobicContact CE1-CG2 4.18Å; P129-T785 HydrophobicContact CB-CG2 3.79Å; E130-T785 VanDerWaalsContact CD-OG1 3.3Å; E130-T785 WeakPolarHBondContact OE1-CB 3.39Å; E130-T785 PolarHBondContact OE1-OG1 3.48Å; S156-T785 PolarHBondContact OG-OG1 2.86Å; V781-T785 HydrophobicContact CG1-CG2 4.35Å; V781-T785 PolarHBondContact O-N 3.42Å; V781-T785 PolarHBondContact O-OG1 3.1Å; A782-T785 PolarHBondContact O-OG1 2.86Å; L783-T785 PolarHBondContact O-N 2.87Å; T785-P788 WeakPolarHBondContact O-CD 3.3Å
786	S	91.7	Very high	91.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-84.9	-5.7	176.9	-71.2	0	0	0	0	114.9	F159 N160 A782 L783 D789 T790	F159-S786 VanDerWaalsContact CD1-CB 3.45Å; N160-S786 WeakPolarHBondContact OD1-CB 3.1Å; N160-S786 PolarHBondContact OD1-OG 3.21Å; A782-S786 VanDerWaalsContact O-CB 3.22Å; A782-S786 WeakPolarHBondContact O-CB 3Å; A782-S786 PolarHBondContact O-N 3.35Å; A782-S786 VanDerWaalsContact O-N 3.14Å; A782-S786 PolarHBondContact O-OG 3.39Å; L783-S786 PolarHBondContact O-N 2.97Å; S786-D789 PolarHBondContact O-N 2.8Å; S786-T790 PolarHBondContact O-N 2.98Å; S786-T790 PolarHBondContact O-OG1 2.86Å
787	L	89.5	Confident	91	Very high	53 Å²	53	20.9 Å²	20.9	28%	0.277	11%	0.107	S	C	.	.	H	α-helix	trans	-57.4	-49.8	178.2	-82	176.4	0	0	0	112.9	L783 D789 T790 F791	L783-L787 HydrophobicContact CD1-CD2 4.43Å; L783-L787 WeakPolarHBondContact O-CG 3.46Å; L783-L787 PolarHBondContact O-N 2.79Å; L783-L787 VanDerWaalsContact O-N 3.1Å; L787-D789 PolarHBondContact O-N 3.4Å; L787-T790 VanDerWaalsContact O-CB 3.26Å; L787-T790 WeakPolarHBondContact O-CB 3.19Å; L787-T790 PolarHBondContact O-N 3.19Å; L787-T790 VanDerWaalsContact O-N 3.08Å; L787-F791 HydrophobicContact CD2-CE2 4.42Å; L787-F791 WeakPolarHBondContact O-CD2 3.45Å; L787-F791 PolarHBondContact O-N 3.16Å
788	P	86.8	Confident	90.7	Very high	5 Å²	5	24 Å²	24	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-54.8	-39.5	176.1	-27.1	36.3	0	0	0	113	S75 T785 T790 F791 A792	S75-P788 WeakPolarHBondContact OG-CG 3.48Å; T785-P788 WeakPolarHBondContact O-CD 3.3Å; P788-T790 VanDerWaalsContact C-N 3.31Å; P788-T790 PolarHBondContact O-N 3.29Å; P788-F791 PolarHBondContact O-N 3.43Å; P788-A792 VanDerWaalsContact O-CB 3.31Å; P788-A792 WeakPolarHBondContact O-CB 3.4Å; P788-A792 PolarHBondContact O-N 3.18Å
789	D	89	Confident	90.2	Very high	7 Å²	7	26 Å²	26	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-71.2	-30	-178.4	-70	5.4	0	0	0	111.8	S126 I164 R332 S786 L787 S793	S126-D789 WeakPolarHBondContact CB-OD2 3.38Å; S126-D789 PolarHBondContact OG-OD1 3.4Å; S126-D789 PolarHBondContact OG-OD2 3.31Å; I164-D789 HydrophobicContact CD1-CB 4.02Å; R332-D789 IonicContact CZ-OD1 3.57Å; R332-D789 VanDerWaalsContact CZ-OD1 3.25Å; R332-D789 IonicContact NE-OD1 3.25Å; R332-D789 PolarHBondContact NE-OD1 2.97Å; R332-D789 IonicContact NH2-OD1 3.97Å; R332-D789 PolarHBondContact NH2-OD1 3.27Å; S786-D789 PolarHBondContact O-N 2.8Å; L787-D789 PolarHBondContact O-N 3.4Å; D789-S793 VanDerWaalsContact O-CB 3.27Å; D789-S793 WeakPolarHBondContact O-CB 3.24Å; D789-S793 PolarHBondContact O-N 3.36Å; D789-S793 PolarHBondContact O-OG 2.95Å
790	T	90.5	Very high	89.7	Confident	14 Å²	14	26.2 Å²	26.2	9%	0.086	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-50	173.6	-53.9	0	0	0	0	110.8	F159 I164 V167 S786 L787 P788 K794	F159-T790 VanDerWaalsContact CE1-OG1 3.32Å; F159-T790 WeakPolarHBondContact CE1-OG1 3.28Å; I164-T790 HydrophobicContact CG1-CG2 4.34Å; I164-T790 WeakPolarHBondContact CG1-OG1 3.21Å; V167-T790 HydrophobicContact CG2-CG2 4.48Å; S786-T790 PolarHBondContact O-N 2.98Å; S786-T790 PolarHBondContact O-OG1 2.86Å; L787-T790 VanDerWaalsContact O-CB 3.26Å; L787-T790 WeakPolarHBondContact O-CB 3.19Å; L787-T790 PolarHBondContact O-N 3.19Å; L787-T790 VanDerWaalsContact O-N 3.08Å; P788-T790 VanDerWaalsContact C-N 3.31Å; P788-T790 PolarHBondContact O-N 3.29Å; T790-K794 VanDerWaalsContact O-CB 3.31Å; T790-K794 WeakPolarHBondContact O-CB 3.29Å; T790-K794 PolarHBondContact O-N 3.09Å
791	F	88.9	Confident	89.2	Confident	65 Å²	65	30 Å²	30	29%	0.285	17%	0.167	S	C	.	.	H	α-helix	trans	-71.4	-39.4	-179.2	-67.7	-75.1	0	0	0	111.5	A335 L339 L787 P788 S793 K794 V795	A335-F791 HydrophobicContact CB-CB 3.66Å; L339-F791 HydrophobicContact CD1-CB 4.15Å; L339-F791 HydrophobicContact CD1-CD1 4.39Å; L339-F791 HydrophobicContact CD1-CD2 3.31Å; L339-F791 HydrophobicContact CD1-CE2 3.67Å; L339-F791 HydrophobicContact CD1-CG 3.71Å; L339-F791 HydrophobicContact CD1-CZ 4.36Å; L339-F791 HydrophobicContact CD2-CD1 4.07Å; L339-F791 HydrophobicContact CD2-CD2 4.13Å; L339-F791 HydrophobicContact CD2-CE1 3.8Å; L339-F791 HydrophobicContact CD2-CE2 3.85Å; L339-F791 HydrophobicContact CD2-CG 4.23Å; L339-F791 HydrophobicContact CD2-CZ 3.68Å; L339-F791 HydrophobicContact CG-CD2 4.25Å; L339-F791 HydrophobicContact CG-CE2 4.39Å; L339-F791 HydrophobicContact CG-CG 4.33Å; L787-F791 HydrophobicContact CD2-CE2 4.42Å; L787-F791 WeakPolarHBondContact O-CD2 3.45Å; L787-F791 PolarHBondContact O-N 3.16Å; P788-F791 PolarHBondContact O-N 3.43Å; F791-S793 PolarHBondContact O-N 3.06Å; F791-K794 WeakPolarHBondContact O-CB 3.36Å; F791-K794 PolarHBondContact O-N 3.02Å; F791-V795 WeakPolarHBondContact O-CG2 3.28Å; F791-V795 PolarHBondContact O-N 2.81Å
792	A	86.5	Confident	88.9	Confident	10 Å²	10	35.1 Å²	35.1	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-49	174.2	0	0	0	0	0	111.7	R332 P788 K794 V795 A796	R332-A792 HydrophobicContact CB-CB 3.83Å; R332-A792 HydrophobicContact CG-CB 4.03Å; P788-A792 VanDerWaalsContact O-CB 3.31Å; P788-A792 WeakPolarHBondContact O-CB 3.4Å; P788-A792 PolarHBondContact O-N 3.18Å; A792-K794 VanDerWaalsContact C-N 3.34Å; A792-K794 PolarHBondContact O-N 2.91Å; A792-V795 PolarHBondContact O-N 2.99Å; A792-A796 WeakPolarHBondContact O-CB 3.15Å; A792-A796 PolarHBondContact O-N 2.82Å
793	S	90.9	Very high	88.7	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-34.5	-179.7	-55.2	0	0	0	0	112.2	I164 C168 D789 F791 A797 S806	I164-S793 VanDerWaalsContact CG2-CB 3.41Å; C168-S793 VanDerWaalsContact SG-CB 3.6Å; C168-S793 PolarHBondContact SG-O 2.77Å; D789-S793 VanDerWaalsContact O-CB 3.27Å; D789-S793 WeakPolarHBondContact O-CB 3.24Å; D789-S793 PolarHBondContact O-N 3.36Å; D789-S793 PolarHBondContact O-OG 2.95Å; F791-S793 PolarHBondContact O-N 3.06Å; S793-A797 VanDerWaalsContact O-CB 3.32Å; S793-A797 WeakPolarHBondContact O-CB 3.3Å; S793-A797 PolarHBondContact O-N 3.23Å; S793-S806 PolarHBondContact O-OG 2.89Å
794	K	91.1	Very high	88.3	Confident	85 Å²	85	33.7 Å²	33.7	37%	0.37	18%	0.18	S	C	.	.	H	α-helix	trans	-61.3	-51.9	172.1	165.6	-176.2	176.3	-160.8	0	111.3	V167 V171 T790 F791 A792 A796 A797 V798	V167-K794 HydrophobicContact CG1-CB 4.37Å; V171-K794 HydrophobicContact CB-CG 4.2Å; V171-K794 HydrophobicContact CG1-CD 4.13Å; V171-K794 HydrophobicContact CG1-CG 3.94Å; V171-K794 HydrophobicContact CG2-CG 4.09Å; T790-K794 VanDerWaalsContact O-CB 3.31Å; T790-K794 WeakPolarHBondContact O-CB 3.29Å; T790-K794 PolarHBondContact O-N 3.09Å; F791-K794 WeakPolarHBondContact O-CB 3.36Å; F791-K794 PolarHBondContact O-N 3.02Å; A792-K794 VanDerWaalsContact C-N 3.34Å; A792-K794 PolarHBondContact O-N 2.91Å; K794-A796 VanDerWaalsContact C-N 3.31Å; K794-A796 PolarHBondContact O-N 2.87Å; K794-A797 PolarHBondContact O-N 2.96Å; K794-V798 WeakPolarHBondContact O-CG2 3.38Å; K794-V798 PolarHBondContact O-N 3.42Å; K794-V798 VanDerWaalsContact O-N 3.11Å
795	V	87	Confident	87.8	Confident	23 Å²	23	35 Å²	35	14%	0.139	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-42.5	-178.9	177.3	0	0	0	0	109.6	Y331 A335 F791 A792 A797 V798 G799	Y331-V795 HydrophobicContact CD1-CB 4.44Å; Y331-V795 HydrophobicContact CD1-CG1 3.71Å; Y331-V795 HydrophobicContact CE1-CG1 4.28Å; A335-V795 HydrophobicContact CB-CG2 4.25Å; F791-V795 WeakPolarHBondContact O-CG2 3.28Å; F791-V795 PolarHBondContact O-N 2.81Å; A792-V795 PolarHBondContact O-N 2.99Å; V795-A797 VanDerWaalsContact C-N 3.35Å; V795-A797 PolarHBondContact O-N 3.44Å; V795-V798 PolarHBondContact O-N 3.36Å; V795-G799 PolarHBondContact O-N 2.65Å
796	A	87.1	Confident	87.6	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-41.3	173.3	0	0	0	0	0	112.6	Y331 A792 K794 V798 G799 D800	Y331-A796 HydrophobicContact CD2-CB 3.81Å; Y331-A796 HydrophobicContact CE2-CB 4.19Å; Y331-A796 HydrophobicContact CG-CB 3.99Å; A792-A796 WeakPolarHBondContact O-CB 3.15Å; A792-A796 PolarHBondContact O-N 2.82Å; K794-A796 VanDerWaalsContact C-N 3.31Å; K794-A796 PolarHBondContact O-N 2.87Å; A796-V798 VanDerWaalsContact C-N 3.29Å; A796-V798 PolarHBondContact O-N 2.69Å; A796-G799 PolarHBondContact O-N 3.05Å; A796-D800 WeakPolarHBondContact O-CB 3.47Å; A796-D800 PolarHBondContact O-N 3.03Å
797	A	89.7	Confident	87.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-32.2	-179.6	0	0	0	0	0	112.8	C168 V171 V172 R178 S793 K794 V795 S806 L877	C168-A797 HydrophobicContact CB-CB 4.05Å; V171-A797 HydrophobicContact CG2-CB 3.99Å; V172-A797 HydrophobicContact CG2-CB 4.36Å; R178-A797 PolarHBondContact NE-O 2.88Å; S793-A797 VanDerWaalsContact O-CB 3.32Å; S793-A797 WeakPolarHBondContact O-CB 3.3Å; S793-A797 PolarHBondContact O-N 3.23Å; K794-A797 PolarHBondContact O-N 2.96Å; V795-A797 VanDerWaalsContact C-N 3.35Å; V795-A797 PolarHBondContact O-N 3.44Å; A797-S806 WeakPolarHBondContact CA-OG 3.25Å; A797-S806 WeakPolarHBondContact CB-OG 3.33Å; A797-S806 PolarHBondContact N-OG 2.99Å; A797-S806 VanDerWaalsContact N-OG 3.08Å; A797-L877 HydrophobicContact CB-CD1 4.11Å
798	V	88.3	Confident	87	Confident	64 Å²	64	33.1 Å²	33.1	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-76.8	-50	176.3	175.6	0	0	0	0	110.3	V171 R178 K794 V795 A796	V171-V798 HydrophobicContact CB-CG2 4.16Å; V171-V798 HydrophobicContact CG2-CG2 4.14Å; R178-V798 PolarHBondContact NH2-O 3.44Å; K794-V798 WeakPolarHBondContact O-CG2 3.38Å; K794-V798 PolarHBondContact O-N 3.42Å; K794-V798 VanDerWaalsContact O-N 3.11Å; V795-V798 PolarHBondContact O-N 3.36Å; A796-V798 VanDerWaalsContact C-N 3.29Å; A796-V798 PolarHBondContact O-N 2.69Å
799	G	82.1	Confident	86.4	Confident	49 Å²	49	33.8 Å²	33.8	51%	0.505	19%	0.186	S	C	.	.	H	α-helix	trans	-77.7	-36.2	-171.4	0	0	0	0	0	115.4	V795 A796	V795-G799 PolarHBondContact O-N 2.65Å; A796-G799 PolarHBondContact O-N 3.05Å
800	D	84	Confident	86.2	Confident	28 Å²	28	33.8 Å²	33.8	15%	0.15	19%	0.186	C	C	.	.			trans	-85.8	148.7	-176.8	-76.3	-24.1	0	0	0	112.6	R178 Y331 A796 Y802 S805	R178-D800 WeakPolarHBondContact CD-O 3.35Å; R178-D800 PolarHBondContact NE-O 3Å; Y331-D800 WeakPolarHBondContact CE2-OD2 3.31Å; Y331-D800 VanDerWaalsContact OH-CG 3.3Å; Y331-D800 PolarHBondContact OH-OD1 3.22Å; A796-D800 WeakPolarHBondContact O-CB 3.47Å; A796-D800 PolarHBondContact O-N 3.03Å; D800-Y802 VanDerWaalsContact C-N 3.32Å; D800-S805 WeakPolarHBondContact OD2-CB 3.49Å; D800-S805 PolarHBondContact OD2-OG 2.91Å
801	Q	83.8	Confident	86	Confident	145 Å²	145	33.2 Å²	33.2	68%	0.678	18%	0.183	S	C	*	.	S	Bend	trans	-73.1	-24.4	172.6	-61.9	-178.6	4.7	0	0	113	R178	R178-Q801 VanDerWaalsContact CD-O 3.27Å; R178-Q801 WeakPolarHBondContact CD-O 3.16Å
802	Y	88.4	Confident	85.8	Confident	107 Å²	107	30.2 Å²	30.2	42%	0.42	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-115.3	163.1	-176.2	-58	-75.9	0	0	0	111.6	R179 K181 D800 D804	R179-Y802 CarbonylContact O-C 3.6Å; R179-Y802 VanDerWaalsContact O-CA 3.31Å; R179-Y802 WeakPolarHBondContact O-CA 3.41Å; R179-Y802 WeakPolarHBondContact O-CB 3.27Å; K181-Y802 HydrophobicContact CB-CD1 3.9Å; K181-Y802 HydrophobicContact CB-CE1 4.27Å; K181-Y802 HydrophobicContact CB-CG 4.15Å; K181-Y802 HydrophobicContact CD-CD2 4.37Å; K181-Y802 HydrophobicContact CD-CE1 4.41Å; K181-Y802 HydrophobicContact CD-CE2 4.2Å; K181-Y802 HydrophobicContact CG-CE1 4.49Å; D800-Y802 VanDerWaalsContact C-N 3.32Å; Y802-D804 WeakPolarHBondContact CB-OD2 3.39Å
803	A	88.9	Confident	85.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-93.6	-1.2	-177.2	0	0	0	0	0	113.9	R178 R179 I180 S805 S806 I807 L877	R178-A803 HydrophobicContact CB-CB 3.95Å; R179-A803 PolarHBondContact O-N 3.01Å; I180-A803 HydrophobicContact CG1-CB 3.95Å; A803-S805 PolarHBondContact O-N 2.79Å; A803-S806 PolarHBondContact O-N 3.34Å; A803-I807 HydrophobicContact CB-CD1 3.87Å; A803-I807 HydrophobicContact CB-CG1 4.22Å; A803-I807 PolarHBondContact O-N 2.93Å; A803-L877 HydrophobicContact CB-CD1 3.8Å; A803-L877 HydrophobicContact CB-CG 4.03Å
804	D	85.4	Confident	86	Confident	33 Å²	33	29.3 Å²	29.3	18%	0.176	16%	0.163	C	C	.	.	I	π-helix	trans	-58.6	-45.8	-174.2	-58.4	-111.8	0	0	0	111.7	I180 K181 H182 Y802 S806 G808	I180-D804 WeakPolarHBondContact CA-OD2 3.4Å; I180-D804 WeakPolarHBondContact CG2-OD1 3.46Å; K181-D804 PolarHBondContact N-OD1 2.82Å; K181-D804 PolarHBondContact N-OD2 2.69Å; H182-D804 IonicContact CD2-OD1 3.7Å; H182-D804 IonicContact CG-OD1 3.98Å; H182-D804 PolarHBondContact N-OD1 3.11Å; Y802-D804 WeakPolarHBondContact CB-OD2 3.39Å; D804-S806 VanDerWaalsContact C-N 3.32Å; D804-S806 PolarHBondContact O-N 2.88Å; D804-G808 VanDerWaalsContact O-CA 3.26Å; D804-G808 WeakPolarHBondContact O-CA 3.48Å; D804-G808 PolarHBondContact O-N 2.95Å
805	S	82.3	Confident	86.1	Confident	29 Å²	29	25.3 Å²	25.3	20%	0.203	15%	0.146	C	C	.	.	I	π-helix	trans	-66.6	-27.9	179.1	-53.1	0	0	0	0	114.1	D800 A803 N809	D800-S805 WeakPolarHBondContact OD2-CB 3.49Å; D800-S805 PolarHBondContact OD2-OG 2.91Å; A803-S805 PolarHBondContact O-N 2.79Å; S805-N809 WeakPolarHBondContact CA-ND2 3.43Å; S805-N809 WeakPolarHBondContact O-CB 3.41Å; S805-N809 VanDerWaalsContact O-CG 3.27Å; S805-N809 PolarHBondContact O-ND2 2.88Å
806	S	87.6	Confident	86.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-89.3	-45.5	179	-55.5	0	0	0	0	112	S793 A797 A803 D804 V810	S793-S806 PolarHBondContact O-OG 2.89Å; A797-S806 WeakPolarHBondContact CA-OG 3.25Å; A797-S806 WeakPolarHBondContact CB-OG 3.33Å; A797-S806 PolarHBondContact N-OG 2.99Å; A797-S806 VanDerWaalsContact N-OG 3.08Å; A803-S806 PolarHBondContact O-N 3.34Å; D804-S806 VanDerWaalsContact C-N 3.32Å; D804-S806 PolarHBondContact O-N 2.88Å; S806-V810 WeakPolarHBondContact O-CG2 3.46Å
807	I	89	Confident	86.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.139	C	C	.	.	I	π-helix	trans	-92.1	-46	-172.8	-53.6	-178.7	0	0	0	111.8	I165 I180 F186 A803 N809 V810 T811 I865 E876 L877	I165-I807 HydrophobicContact CD1-CB 4.39Å; I165-I807 HydrophobicContact CD1-CG1 4.11Å; I165-I807 HydrophobicContact CD1-CG2 4.36Å; I180-I807 HydrophobicContact CD1-CB 4.38Å; I180-I807 HydrophobicContact CD1-CD1 4.12Å; I180-I807 HydrophobicContact CD1-CG2 4.26Å; I180-I807 HydrophobicContact CG1-CD1 4.33Å; F186-I807 HydrophobicContact CD2-CG2 4.39Å; F186-I807 HydrophobicContact CE2-CG2 3.59Å; F186-I807 HydrophobicContact CZ-CG2 4.18Å; A803-I807 HydrophobicContact CB-CD1 3.87Å; A803-I807 HydrophobicContact CB-CG1 4.22Å; A803-I807 PolarHBondContact O-N 2.93Å; I807-N809 VanDerWaalsContact C-N 3.28Å; I807-N809 PolarHBondContact O-N 3.12Å; I807-V810 PolarHBondContact O-N 3.45Å; I807-T811 PolarHBondContact O-N 3.45Å; I807-T811 VanDerWaalsContact O-N 3.09Å; I807-T811 PolarHBondContact O-OG1 3.03Å; I807-T811 VanDerWaalsContact O-OG1 3.13Å; I807-I865 HydrophobicContact CD1-CG2 4.25Å; I807-E876 HydrophobicContact CD1-CB 3.79Å; I807-E876 HydrophobicContact CD1-CG 4.48Å; I807-L877 HydrophobicContact CD1-CD1 4.44Å; I807-L877 HydrophobicContact CD1-CD2 3.87Å; I807-L877 HydrophobicContact CD1-CG 4.01Å; I807-L877 HydrophobicContact CG1-CD1 4.36Å; I807-L877 HydrophobicContact CG1-CD2 4.17Å; I807-L877 HydrophobicContact CG1-CG 4.4Å
808	G	80.6	Confident	86.9	Confident	20 Å²	20	24.2 Å²	24.2	21%	0.206	14%	0.139	C	C	.	.	I	π-helix	trans	-61.2	-39.6	-177.8	0	0	0	0	0	111.8	D804 T811 G812	D804-G808 VanDerWaalsContact O-CA 3.26Å; D804-G808 WeakPolarHBondContact O-CA 3.48Å; D804-G808 PolarHBondContact O-N 2.95Å; G808-T811 PolarHBondContact O-N 3.45Å; G808-T811 PolarHBondContact O-OG1 2.76Å; G808-T811 VanDerWaalsContact O-OG1 3.04Å; G808-G812 PolarHBondContact O-N 2.98Å
809	N	72.4	Confident	87.3	Confident	19 Å²	19	21.1 Å²	21.1	10%	0.102	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-42.3	178.2	-71.7	-18.9	0	0	0	113	R328 S805 I807 S813	R328-N809 WeakPolarHBondContact CD-ND2 3.22Å; R328-N809 VanDerWaalsContact CG-ND2 3.34Å; R328-N809 WeakPolarHBondContact CG-ND2 3.42Å; S805-N809 WeakPolarHBondContact CA-ND2 3.43Å; S805-N809 WeakPolarHBondContact O-CB 3.41Å; S805-N809 VanDerWaalsContact O-CG 3.27Å; S805-N809 PolarHBondContact O-ND2 2.88Å; I807-N809 VanDerWaalsContact C-N 3.28Å; I807-N809 PolarHBondContact O-N 3.12Å; N809-S813 WeakPolarHBondContact O-CB 3.22Å; N809-S813 PolarHBondContact O-N 3.36Å; N809-S813 PolarHBondContact O-OG 3.01Å
810	V	84.9	Confident	87.9	Confident	6 Å²	6	19.8 Å²	19.8	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-50.1	175.7	158.6	0	0	0	0	111.1	N160 I164 I165 S806 I807 S813 N814	N160-V810 HydrophobicContact CB-CG1 3.8Å; N160-V810 WeakPolarHBondContact O-CG1 3.41Å; I164-V810 HydrophobicContact CG2-CG2 4.11Å; I165-V810 HydrophobicContact CD1-CB 4.3Å; I165-V810 HydrophobicContact CD1-CG1 4.25Å; I165-V810 HydrophobicContact CD1-CG2 4.3Å; S806-V810 WeakPolarHBondContact O-CG2 3.46Å; I807-V810 PolarHBondContact O-N 3.45Å; V810-S813 PolarHBondContact O-N 3.27Å; V810-N814 PolarHBondContact O-N 3.15Å; V810-N814 VanDerWaalsContact O-N 3.13Å; V810-N814 PolarHBondContact O-OD1 2.86Å
811	T	86.4	Confident	88.2	Confident	3 Å²	3	18.4 Å²	18.4	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-66.9	-39.4	-177.8	52.8	0	0	0	0	112.9	F186 S193 I807 G808 A815	F186-T811 HydrophobicContact CE2-CG2 4.02Å; S193-T811 WeakPolarHBondContact CB-O 3.44Å; S193-T811 PolarHBondContact OG-O 3.15Å; I807-T811 PolarHBondContact O-N 3.45Å; I807-T811 VanDerWaalsContact O-N 3.09Å; I807-T811 PolarHBondContact O-OG1 3.03Å; I807-T811 VanDerWaalsContact O-OG1 3.13Å; G808-T811 PolarHBondContact O-N 3.45Å; G808-T811 PolarHBondContact O-OG1 2.76Å; G808-T811 VanDerWaalsContact O-OG1 3.04Å; T811-A815 PolarHBondContact O-N 2.8Å
812	G	86	Confident	88.7	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-60.5	-46.5	173.6	0	0	0	0	0	112.3	G808 N814 A815 V816	G808-G812 PolarHBondContact O-N 2.98Å; G812-N814 VanDerWaalsContact C-N 3.34Å; G812-N814 PolarHBondContact O-N 2.94Å; G812-A815 PolarHBondContact O-N 3.1Å; G812-V816 WeakPolarHBondContact O-CG2 3.13Å; G812-V816 PolarHBondContact O-N 2.98Å
813	S	88.9	Confident	89.1	Confident	1 Å²	1	6.5 Å²	6.5	1%	0.007	4%	0.042	C	C	.	.	H	α-helix	trans	-64.1	-38	-178.2	-49.5	0	0	0	0	112.4	R328 N809 V810 A815 V816 N817	R328-S813 PolarHBondContact NH2-OG 3.21Å; N809-S813 WeakPolarHBondContact O-CB 3.22Å; N809-S813 PolarHBondContact O-N 3.36Å; N809-S813 PolarHBondContact O-OG 3.01Å; V810-S813 PolarHBondContact O-N 3.27Å; S813-A815 VanDerWaalsContact C-N 3.29Å; S813-A815 PolarHBondContact O-N 3.4Å; S813-V816 PolarHBondContact O-N 3.44Å; S813-V816 VanDerWaalsContact O-N 3.14Å; S813-N817 VanDerWaalsContact O-CG 3.25Å; S813-N817 PolarHBondContact O-N 2.97Å; S813-N817 PolarHBondContact O-OD1 3.45Å; S813-N817 VanDerWaalsContact O-OD1 3.14Å
814	N	92.1	Very high	89.3	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.1	-38.9	175.5	-71.9	1.9	0	0	0	112.6	A157 N160 S193 Y197 V810 G812 Y854	A157-N814 HydrophobicContact CB-CB 4.27Å; A157-N814 PolarHBondContact O-ND2 3.49Å; N160-N814 PolarHBondContact ND2-OD1 2.99Å; S193-N814 WeakPolarHBondContact OG-CB 3.43Å; Y197-N814 HydrophobicContact CE2-CB 4.17Å; Y197-N814 WeakPolarHBondContact CE2-O 3.27Å; Y197-N814 PolarHBondContact OH-O 3.42Å; V810-N814 PolarHBondContact O-N 3.15Å; V810-N814 VanDerWaalsContact O-N 3.13Å; V810-N814 PolarHBondContact O-OD1 2.86Å; G812-N814 VanDerWaalsContact C-N 3.34Å; G812-N814 PolarHBondContact O-N 2.94Å; N814-Y854 PolarHBondContact ND2-OH 2.82Å
815	A	92.7	Very high	89.8	Confident	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.6	-42.3	175.9	0	0	0	0	0	111.7	I227 T811 G812 S813 N817 V818 F819	I227-A815 HydrophobicContact CD1-CB 3.81Å; T811-A815 PolarHBondContact O-N 2.8Å; G812-A815 PolarHBondContact O-N 3.1Å; S813-A815 VanDerWaalsContact C-N 3.29Å; S813-A815 PolarHBondContact O-N 3.4Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 2.91Å; A815-V818 PolarHBondContact O-N 3.42Å; A815-F819 HydrophobicContact CB-CD2 4.28Å; A815-F819 HydrophobicContact CB-CE2 4.16Å; A815-F819 VanDerWaalsContact O-CD2 3.29Å; A815-F819 WeakPolarHBondContact O-CD2 3.39Å; A815-F819 PolarHBondContact O-N 3.37Å
816	V	93	Very high	90.4	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	4%	0.039	C	C	.	.	H	α-helix	trans	-63.7	-38.2	179.8	177.6	0	0	0	0	111.5	L119 A123 I131 F224 G812 S813 V818 F819 L820 G821	L119-V816 WeakPolarHBondContact O-CG2 3.39Å; A123-V816 HydrophobicContact CB-CB 4.28Å; A123-V816 HydrophobicContact CB-CG2 3.77Å; I131-V816 HydrophobicContact CD1-CG1 4.17Å; F224-V816 HydrophobicContact CD2-CG1 4.45Å; F224-V816 HydrophobicContact CD2-CG2 4.14Å; F224-V816 HydrophobicContact CE2-CB 4.46Å; F224-V816 HydrophobicContact CE2-CG1 4.02Å; F224-V816 HydrophobicContact CE2-CG2 3.75Å; G812-V816 WeakPolarHBondContact O-CG2 3.13Å; G812-V816 PolarHBondContact O-N 2.98Å; S813-V816 PolarHBondContact O-N 3.44Å; S813-V816 VanDerWaalsContact O-N 3.14Å; V816-V818 PolarHBondContact O-N 3Å; V816-F819 PolarHBondContact O-N 3.39Å; V816-L820 HydrophobicContact CG1-CB 3.93Å; V816-L820 HydrophobicContact CG1-CD2 4Å; V816-L820 WeakPolarHBondContact O-CA 3.45Å; V816-L820 WeakPolarHBondContact O-CB 3.46Å; V816-L820 PolarHBondContact O-N 3.38Å; V816-G821 PolarHBondContact O-N 2.91Å
817	N	93.2	Very high	90.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-56.9	-41.1	178.6	-68.5	-3.6	0	0	0	112.4	S127 I153 S813 A815 G821 I822	S127-N817 WeakPolarHBondContact CB-OD1 3.48Å; S127-N817 PolarHBondContact OG-OD1 2.73Å; S127-N817 VanDerWaalsContact OG-OD1 3.11Å; I153-N817 WeakPolarHBondContact CD1-O 3.41Å; I153-N817 HydrophobicContact CG1-CB 4.36Å; I153-N817 HydrophobicContact CG2-CB 3.85Å; S813-N817 VanDerWaalsContact O-CG 3.25Å; S813-N817 PolarHBondContact O-N 2.97Å; S813-N817 PolarHBondContact O-OD1 3.45Å; S813-N817 VanDerWaalsContact O-OD1 3.14Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 2.91Å; N817-G821 WeakPolarHBondContact O-CA 3.48Å; N817-G821 PolarHBondContact O-N 3.23Å; N817-I822 PolarHBondContact O-N 3.19Å
818	V	95.3	Very high	91.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-78.3	-55.4	178.6	178.8	0	0	0	0	111.2	I153 A196 Y197 M200 A815 V816 L820 I822 G823	I153-V818 HydrophobicContact CG2-CG2 4.16Å; A196-V818 HydrophobicContact CB-CB 3.75Å; A196-V818 HydrophobicContact CB-CG1 3.96Å; A196-V818 HydrophobicContact CB-CG2 4.11Å; A196-V818 WeakPolarHBondContact O-CG1 3.22Å; Y197-V818 HydrophobicContact CD1-CG2 3.98Å; Y197-V818 HydrophobicContact CD2-CG2 4.1Å; Y197-V818 HydrophobicContact CE1-CG2 3.57Å; Y197-V818 HydrophobicContact CE2-CG2 3.69Å; Y197-V818 HydrophobicContact CG-CG2 4.21Å; M200-V818 HydrophobicContact CB-CG1 4.43Å; M200-V818 HydrophobicContact CE-CB 4.03Å; M200-V818 HydrophobicContact CE-CG1 3.52Å; M200-V818 HydrophobicContact CE-CG2 3.53Å; A815-V818 PolarHBondContact O-N 3.42Å; V816-V818 PolarHBondContact O-N 3Å; V818-L820 PolarHBondContact O-N 2.86Å; V818-I822 WeakPolarHBondContact O-CB 3.44Å; V818-I822 PolarHBondContact O-N 3.49Å; V818-G823 PolarHBondContact O-N 2.66Å
819	F	95.5	Very high	91.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-66.9	-38.3	-173.5	-61.7	-41.9	0	0	0	112.6	W192 F195 A196 T220 F221 F223 F224 I227 A815 V816 G823	W192-F819 AromaticContact CE3-CE2 3.85Å; W192-F819 HydrophobicContact CE3-CE2 3.85Å; W192-F819 AromaticContact CE3-CZ 3.73Å; W192-F819 HydrophobicContact CE3-CZ 3.73Å; W192-F819 HydrophobicContact CZ3-CZ 4.19Å; F195-F819 HydrophobicContact CD1-CZ 4.14Å; A196-F819 HydrophobicContact CB-CD1 4.19Å; A196-F819 HydrophobicContact CB-CD2 4.34Å; A196-F819 HydrophobicContact CB-CE1 3.57Å; A196-F819 HydrophobicContact CB-CE2 3.75Å; A196-F819 HydrophobicContact CB-CZ 3.31Å; T220-F819 HydrophobicContact CG2-CD1 4.29Å; T220-F819 WeakPolarHBondContact O-CA 3.29Å; T220-F819 WeakPolarHBondContact O-CD1 2.99Å; F221-F819 WeakPolarHBondContact CA-O 3.46Å; F223-F819 HydrophobicContact CB-CD1 3.49Å; F223-F819 VanDerWaalsContact CB-CD1 3.49Å; F223-F819 HydrophobicContact CB-CD2 4.22Å; F223-F819 HydrophobicContact CB-CE1 3.57Å; F223-F819 HydrophobicContact CB-CE2 4.28Å; F223-F819 HydrophobicContact CB-CG 3.85Å; F223-F819 HydrophobicContact CB-CZ 3.98Å; F223-F819 HydrophobicContact CD2-CD1 4.16Å; F223-F819 AromaticContact CD2-CE1 3.78Å; F223-F819 HydrophobicContact CD2-CE1 3.78Å; F223-F819 HydrophobicContact CG-CD1 4.32Å; F223-F819 HydrophobicContact CG-CE1 4.05Å; F224-F819 HydrophobicContact CB-CB 3.85Å; I227-F819 HydrophobicContact CG2-CD2 4.33Å; A815-F819 HydrophobicContact CB-CD2 4.28Å; A815-F819 HydrophobicContact CB-CE2 4.16Å; A815-F819 VanDerWaalsContact O-CD2 3.29Å; A815-F819 WeakPolarHBondContact O-CD2 3.39Å; A815-F819 PolarHBondContact O-N 3.37Å; V816-F819 PolarHBondContact O-N 3.39Å; F819-G823 WeakPolarHBondContact O-CA 3.31Å
820	L	94.6	Very high	92.9	Very high	20 Å²	20	7.8 Å²	7.8	11%	0.105	4%	0.042	C	C	.	.	I	π-helix	trans	-91	-50.6	178	-173.1	57.1	0	0	0	111.8	L124 I131 F221 F224 V816 V818 L824	L124-L820 HydrophobicContact CD1-CD2 3.74Å; I131-L820 HydrophobicContact CD1-CD2 4.25Å; I131-L820 HydrophobicContact CD1-CG 4.45Å; F221-L820 HydrophobicContact CD2-CD1 4.16Å; F221-L820 HydrophobicContact CE2-CD1 3.56Å; F224-L820 HydrophobicContact CE1-CD2 4.46Å; F224-L820 HydrophobicContact CZ-CD2 4.39Å; V816-L820 HydrophobicContact CG1-CB 3.93Å; V816-L820 HydrophobicContact CG1-CD2 4Å; V816-L820 WeakPolarHBondContact O-CA 3.45Å; V816-L820 WeakPolarHBondContact O-CB 3.46Å; V816-L820 PolarHBondContact O-N 3.38Å; V818-L820 PolarHBondContact O-N 2.86Å; L820-L824 WeakPolarHBondContact O-CB 3.35Å; L820-L824 PolarHBondContact O-N 2.75Å
821	G	92	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-66.5	-64	-176.2	0	0	0	0	0	113.2	V816 N817 G825	V816-G821 PolarHBondContact O-N 2.91Å; N817-G821 WeakPolarHBondContact O-CA 3.48Å; N817-G821 PolarHBondContact O-N 3.23Å; G821-G825 PolarHBondContact O-N 2.83Å
822	I	94.1	Very high	94	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.069	C	C	.	.	I	π-helix	trans	-66.6	-45.4	177.1	-66.4	-58	0	0	0	111.1	P150 I153 M200 N817 V818 L824 G825 W826	P150-I822 HydrophobicContact CB-CD1 3.99Å; P150-I822 HydrophobicContact CG-CD1 3.85Å; I153-I822 HydrophobicContact CD1-CD1 3.74Å; I153-I822 HydrophobicContact CD1-CG1 3.68Å; I153-I822 HydrophobicContact CG2-CG1 4.43Å; M200-I822 HydrophobicContact CE-CB 4.3Å; M200-I822 HydrophobicContact CE-CG1 3.72Å; M200-I822 HydrophobicContact CE-CG2 4.41Å; N817-I822 PolarHBondContact O-N 3.19Å; V818-I822 WeakPolarHBondContact O-CB 3.44Å; V818-I822 PolarHBondContact O-N 3.49Å; I822-L824 PolarHBondContact O-N 3.35Å; I822-G825 PolarHBondContact O-N 3.41Å; I822-W826 HydrophobicContact CD1-CZ2 4.35Å; I822-W826 HydrophobicContact CG2-CD2 3.3Å; I822-W826 VanDerWaalsContact CG2-CE2 3.41Å; I822-W826 HydrophobicContact CG2-CE3 3.45Å; I822-W826 VanDerWaalsContact CG2-CE3 3.45Å; I822-W826 HydrophobicContact CG2-CG 3.89Å; I822-W826 HydrophobicContact CG2-CH2 3.78Å; I822-W826 HydrophobicContact CG2-CZ2 3.64Å; I822-W826 HydrophobicContact CG2-CZ3 3.71Å; I822-W826 VanDerWaalsContact O-CB 3.28Å; I822-W826 WeakPolarHBondContact O-CB 3.39Å; I822-W826 PolarHBondContact O-N 3.23Å
823	G	95.3	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.6	-44.8	-179.4	0	0	0	0	0	113.3	V818 F819 S827	V818-G823 PolarHBondContact O-N 2.66Å; F819-G823 WeakPolarHBondContact O-CA 3.31Å; G823-S827 WeakPolarHBondContact O-CB 3.42Å; G823-S827 PolarHBondContact O-N 2.77Å; G823-S827 PolarHBondContact O-OG 2.62Å
824	L	94.9	Very high	94.7	Very high	56 Å²	56	17.5 Å²	17.5	29%	0.293	10%	0.095	S	C	.	.	H	α-helix	trans	-68.3	-50.3	177.5	-178.6	61.5	0	0	0	111.7	V135 F221 L820 I822 W826 S827 I828	V135-L824 HydrophobicContact CG2-CD2 4.18Å; V135-L824 HydrophobicContact CG2-CG 4.35Å; F221-L824 HydrophobicContact CZ-CD1 4.47Å; L820-L824 WeakPolarHBondContact O-CB 3.35Å; L820-L824 PolarHBondContact O-N 2.75Å; I822-L824 PolarHBondContact O-N 3.35Å; L824-W826 PolarHBondContact O-N 2.83Å; L824-S827 PolarHBondContact O-N 3Å; L824-I828 HydrophobicContact CD1-CD1 4.08Å; L824-I828 HydrophobicContact CD1-CG1 4.46Å; L824-I828 HydrophobicContact CG-CD1 4.07Å; L824-I828 WeakPolarHBondContact O-CG1 3.22Å; L824-I828 PolarHBondContact O-N 2.92Å; L824-I828 VanDerWaalsContact O-N 3.07Å
825	G	94.2	Very high	94.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-48.7	-178.6	0	0	0	0	0	112.4	G821 I822 S827 I828 A829	G821-G825 PolarHBondContact O-N 2.83Å; I822-G825 PolarHBondContact O-N 3.41Å; G825-S827 PolarHBondContact O-N 3.02Å; G825-I828 PolarHBondContact O-N 3.19Å; G825-A829 PolarHBondContact O-N 3.24Å; G825-A829 VanDerWaalsContact O-N 3.09Å
826	W	95.7	Very high	94.8	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-69.8	-31.3	178.9	-68.1	2.3	0	0	0	112.4	M200 I203 I204 V212 A217 I822 L824 A829 A830 F840 V842 L847	M200-W826 HydrophobicContact CG-CH2 4.07Å; M200-W826 HydrophobicContact CG-CZ3 4.49Å; I203-W826 HydrophobicContact CD1-CE3 3.93Å; I203-W826 HydrophobicContact CD1-CZ3 3.46Å; I203-W826 VanDerWaalsContact CD1-CZ3 3.46Å; I203-W826 HydrophobicContact CG1-CZ3 4Å; I204-W826 HydrophobicContact CG2-CH2 3.61Å; I204-W826 HydrophobicContact CG2-CZ3 3.87Å; V212-W826 HydrophobicContact CG1-CE3 4.06Å; V212-W826 HydrophobicContact CG2-CE3 3.93Å; V212-W826 HydrophobicContact CG2-CZ3 3.98Å; A217-W826 HydrophobicContact CB-CB 4.06Å; I822-W826 HydrophobicContact CD1-CZ2 4.35Å; I822-W826 HydrophobicContact CG2-CD2 3.3Å; I822-W826 VanDerWaalsContact CG2-CE2 3.41Å; I822-W826 HydrophobicContact CG2-CE3 3.45Å; I822-W826 VanDerWaalsContact CG2-CE3 3.45Å; I822-W826 HydrophobicContact CG2-CG 3.89Å; I822-W826 HydrophobicContact CG2-CH2 3.78Å; I822-W826 HydrophobicContact CG2-CZ2 3.64Å; I822-W826 HydrophobicContact CG2-CZ3 3.71Å; I822-W826 VanDerWaalsContact O-CB 3.28Å; I822-W826 WeakPolarHBondContact O-CB 3.39Å; I822-W826 PolarHBondContact O-N 3.23Å; L824-W826 PolarHBondContact O-N 2.83Å; W826-A829 PolarHBondContact O-N 2.77Å; W826-A830 WeakPolarHBondContact O-CB 3.27Å; W826-A830 PolarHBondContact O-N 2.81Å; W826-F840 HydrophobicContact CB-CE1 3.92Å; W826-F840 AromaticContact CD1-CE1 3.76Å; W826-F840 AromaticContact CD1-CZ 3.81Å; W826-F840 HydrophobicContact CD2-CE1 4.28Å; W826-F840 AromaticContact CG-CE1 3.73Å; W826-F840 HydrophobicContact CG-CE1 3.73Å; W826-F840 HydrophobicContact CG-CZ 4.26Å; W826-V842 HydrophobicContact CH2-CG1 4.11Å; W826-V842 HydrophobicContact CZ2-CG1 3.87Å; W826-L847 HydrophobicContact CZ2-CD2 4.37Å
827	S	96.3	Very high	94.8	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-45.3	174.5	-68	0	0	0	0	111	A217 L218 G823 L824 G825 I831	A217-S827 PolarHBondContact O-OG 3.42Å; A217-S827 VanDerWaalsContact O-OG 3.1Å; L218-S827 PolarHBondContact N-OG 2.9Å; G823-S827 WeakPolarHBondContact O-CB 3.42Å; G823-S827 PolarHBondContact O-N 2.77Å; G823-S827 PolarHBondContact O-OG 2.62Å; L824-S827 PolarHBondContact O-N 3Å; G825-S827 PolarHBondContact O-N 3.02Å; S827-I831 WeakPolarHBondContact O-CB 3.4Å; S827-I831 WeakPolarHBondContact O-CD1 3.45Å; S827-I831 WeakPolarHBondContact O-CG1 3.42Å; S827-I831 PolarHBondContact O-N 2.8Å
828	I	95.3	Very high	94.8	Very high	60 Å²	60	36.8 Å²	36.8	31%	0.308	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-47.5	177.6	-66.6	166.5	0	0	0	110.2	F143 L824 G825 Y832	F143-I828 HydrophobicContact CD1-CG2 4Å; F143-I828 HydrophobicContact CE1-CG2 3.59Å; L824-I828 HydrophobicContact CD1-CD1 4.08Å; L824-I828 HydrophobicContact CD1-CG1 4.46Å; L824-I828 HydrophobicContact CG-CD1 4.07Å; L824-I828 WeakPolarHBondContact O-CG1 3.22Å; L824-I828 PolarHBondContact O-N 2.92Å; L824-I828 VanDerWaalsContact O-N 3.07Å; G825-I828 PolarHBondContact O-N 3.19Å; I828-Y832 WeakPolarHBondContact O-CB 3.29Å; I828-Y832 PolarHBondContact O-N 3.14Å
829	A	95.5	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-48	179.7	0	0	0	0	0	112.9	I138 F143 G825 W826 I831 Y832 H833 F840	I138-A829 HydrophobicContact CG2-CB 3.71Å; F143-A829 HydrophobicContact CB-CB 4.35Å; G825-A829 PolarHBondContact O-N 3.24Å; G825-A829 VanDerWaalsContact O-N 3.09Å; W826-A829 PolarHBondContact O-N 2.77Å; A829-I831 VanDerWaalsContact C-N 3.33Å; A829-I831 PolarHBondContact O-N 2.92Å; A829-Y832 WeakPolarHBondContact O-CB 3.48Å; A829-Y832 PolarHBondContact O-N 2.81Å; A829-H833 PolarHBondContact O-CD2 2.91Å; A829-H833 VanDerWaalsContact O-CD2 3.28Å; A829-H833 PolarHBondContact O-N 2.83Å; A829-F840 HydrophobicContact CB-CD1 4.14Å; A829-F840 HydrophobicContact CB-CD2 3.66Å; A829-F840 HydrophobicContact CB-CE1 3.98Å; A829-F840 HydrophobicContact CB-CE2 3.46Å; A829-F840 VanDerWaalsContact CB-CE2 3.46Å; A829-F840 HydrophobicContact CB-CG 4.02Å; A829-F840 HydrophobicContact CB-CZ 3.65Å
830	A	95.9	Very high	94.6	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-41.2	-179.1	0	0	0	0	0	111.5	V214 A217 W826 A834 F840	V214-A830 HydrophobicContact CG2-CB 4.08Å; A217-A830 HydrophobicContact CB-CB 4.15Å; W826-A830 WeakPolarHBondContact O-CB 3.27Å; W826-A830 PolarHBondContact O-N 2.81Å; A830-A834 WeakPolarHBondContact O-CB 3Å; A830-A834 PolarHBondContact O-N 3.44Å; A830-F840 HydrophobicContact CB-CB 4.46Å; A830-F840 HydrophobicContact CB-CD1 4.37Å
831	I	96.2	Very high	94.5	Very high	71 Å²	71	47.1 Å²	47.1	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-45.3	175	-68.5	167	0	0	0	110.7	V214 L218 S827 A829 H833 A834 I835	V214-I831 HydrophobicContact CG1-CG1 4.03Å; L218-I831 HydrophobicContact CD2-CD1 4.37Å; S827-I831 WeakPolarHBondContact O-CB 3.4Å; S827-I831 WeakPolarHBondContact O-CD1 3.45Å; S827-I831 WeakPolarHBondContact O-CG1 3.42Å; S827-I831 PolarHBondContact O-N 2.8Å; A829-I831 VanDerWaalsContact C-N 3.33Å; A829-I831 PolarHBondContact O-N 2.92Å; I831-H833 PolarHBondContact O-N 2.96Å; I831-A834 PolarHBondContact O-N 3.34Å; I831-I835 HydrophobicContact CG2-CD1 3.83Å; I831-I835 HydrophobicContact CG2-CG1 4.45Å; I831-I835 VanDerWaalsContact O-CG1 3.3Å; I831-I835 WeakPolarHBondContact O-CG1 3.41Å; I831-I835 PolarHBondContact O-N 3.3Å
832	Y	96.2	Very high	94.4	Very high	64 Å²	64	47.4 Å²	47.4	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-48.3	178	176.3	-95.6	0	0	0	112.3	F143 I828 A829 A834 I835 K836	F143-Y832 HydrophobicContact CB-CD1 3.53Å; F143-Y832 HydrophobicContact CB-CE1 3.94Å; F143-Y832 HydrophobicContact CB-CG 4.07Å; F143-Y832 HydrophobicContact CD1-CD1 4.4Å; F143-Y832 HydrophobicContact CD1-CG 4.09Å; F143-Y832 AromaticContact CD2-CD1 3.47Å; F143-Y832 HydrophobicContact CD2-CD1 3.47Å; F143-Y832 VanDerWaalsContact CD2-CD1 3.47Å; F143-Y832 AromaticContact CD2-CD2 3.67Å; F143-Y832 HydrophobicContact CD2-CD2 3.67Å; F143-Y832 AromaticContact CD2-CE1 3.36Å; F143-Y832 HydrophobicContact CD2-CE1 3.36Å; F143-Y832 AromaticContact CD2-CE2 3.56Å; F143-Y832 HydrophobicContact CD2-CE2 3.56Å; F143-Y832 AromaticContact CD2-CG 3.59Å; F143-Y832 HydrophobicContact CD2-CG 3.59Å; F143-Y832 AromaticContact CD2-CZ 3.35Å; F143-Y832 HydrophobicContact CE1-CD2 4.47Å; F143-Y832 HydrophobicContact CE1-CG 4.46Å; F143-Y832 HydrophobicContact CE2-CD1 4.29Å; F143-Y832 AromaticContact CE2-CD2 3.62Å; F143-Y832 HydrophobicContact CE2-CD2 3.62Å; F143-Y832 HydrophobicContact CE2-CE1 4.15Å; F143-Y832 AromaticContact CE2-CE2 3.45Å; F143-Y832 HydrophobicContact CE2-CE2 3.45Å; F143-Y832 VanDerWaalsContact CE2-CE2 3.45Å; F143-Y832 HydrophobicContact CE2-CG 4.01Å; F143-Y832 AromaticContact CE2-CZ 3.68Å; F143-Y832 AromaticContact CG-CD1 3.53Å; F143-Y832 HydrophobicContact CG-CD1 3.53Å; F143-Y832 HydrophobicContact CG-CD2 4.13Å; F143-Y832 AromaticContact CG-CE1 3.89Å; F143-Y832 HydrophobicContact CG-CE1 3.89Å; F143-Y832 HydrophobicContact CG-CE2 4.44Å; F143-Y832 AromaticContact CG-CG 3.63Å; F143-Y832 HydrophobicContact CG-CG 3.63Å; F143-Y832 HydrophobicContact CZ-CD2 4.04Å; F143-Y832 HydrophobicContact CZ-CE2 4.24Å; F143-Y832 HydrophobicContact CZ-CG 4.42Å; I828-Y832 WeakPolarHBondContact O-CB 3.29Å; I828-Y832 PolarHBondContact O-N 3.14Å; A829-Y832 WeakPolarHBondContact O-CB 3.48Å; A829-Y832 PolarHBondContact O-N 2.81Å; Y832-A834 PolarHBondContact O-N 2.87Å; Y832-I835 PolarHBondContact O-N 2.57Å; Y832-K836 HydrophobicContact CD1-CD 4.28Å; Y832-K836 HydrophobicContact CE1-CD 3.63Å; Y832-K836 HydrophobicContact CE2-CD 4.45Å; Y832-K836 VanDerWaalsContact CZ-NZ 3.34Å; Y832-K836 PolarHBondContact O-N 3.47Å; Y832-K836 VanDerWaalsContact O-N 3.11Å; Y832-K836 WeakPolarHBondContact OH-CE 3.35Å; Y832-K836 PolarHBondContact OH-NZ 2.99Å
833	H	95.7	Very high	93.8	Very high	25 Å²	25	53 Å²	53	12%	0.116	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-39.8	178	-83	-72.7	0	0	0	111.9	F143 A829 I831 I835 K836 G837 T838 F840	F143-H833 PolarHBondContact O-NE2 2.82Å; F143-H833 VanDerWaalsContact O-NE2 3.1Å; A829-H833 PolarHBondContact O-CD2 2.91Å; A829-H833 VanDerWaalsContact O-CD2 3.28Å; A829-H833 PolarHBondContact O-N 2.83Å; I831-H833 PolarHBondContact O-N 2.96Å; H833-I835 PolarHBondContact O-N 3.26Å; H833-K836 CarbonylContact O-C 3.58Å; H833-K836 PolarHBondContact O-N 2.92Å; H833-K836 VanDerWaalsContact O-N 3.15Å; H833-G837 PolarHBondContact O-N 2.88Å; H833-T838 CarbonylContact C-O 3.56Å; H833-T838 WeakPolarHBondContact CA-OG1 3.12Å; H833-T838 WeakPolarHBondContact CB-O 3.34Å; H833-T838 PolarHBondContact ND1-OG1 3Å; H833-T838 PolarHBondContact O-N 3.08Å; H833-T838 PolarHBondContact O-OG1 2.87Å; H833-F840 HydrophobicContact CB-CB 4.17Å; H833-F840 AromaticContact CD2-CD2 3.7Å
834	A	94	Very high	93.2	Very high	54 Å²	54	53.7 Å²	53.7	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-41.8	175.2	0	0	0	0	0	112.6	V214 A830 I831 Y832 K836 G837	V214-A834 HydrophobicContact CG2-CB 3.69Å; A830-A834 WeakPolarHBondContact O-CB 3Å; A830-A834 PolarHBondContact O-N 3.44Å; I831-A834 PolarHBondContact O-N 3.34Å; Y832-A834 PolarHBondContact O-N 2.87Å; A834-K836 VanDerWaalsContact C-N 3.27Å; A834-K836 PolarHBondContact O-N 2.93Å; A834-G837 PolarHBondContact O-N 3.32Å; A834-G837 VanDerWaalsContact O-N 3.16Å
835	I	95.4	Very high	92.5	Very high	141 Å²	141	51.8 Å²	51.8	72%	0.723	29%	0.287	S	S	*	.	H	α-helix	trans	-63.1	-36.1	175	-68.4	166.3	0	0	0	111	I831 Y832 H833 G837	I831-I835 HydrophobicContact CG2-CD1 3.83Å; I831-I835 HydrophobicContact CG2-CG1 4.45Å; I831-I835 VanDerWaalsContact O-CG1 3.3Å; I831-I835 WeakPolarHBondContact O-CG1 3.41Å; I831-I835 PolarHBondContact O-N 3.3Å; Y832-I835 PolarHBondContact O-N 2.57Å; H833-I835 PolarHBondContact O-N 3.26Å; I835-G837 VanDerWaalsContact C-N 3.32Å
836	K	93.4	Very high	92	Very high	127 Å²	127	52.1 Å²	52.1	55%	0.552	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.5	176.7	-76.6	-170.5	164.9	-171.2	0	114.7	Y832 H833 A834 T838	Y832-K836 HydrophobicContact CD1-CD 4.28Å; Y832-K836 HydrophobicContact CE1-CD 3.63Å; Y832-K836 HydrophobicContact CE2-CD 4.45Å; Y832-K836 VanDerWaalsContact CZ-NZ 3.34Å; Y832-K836 PolarHBondContact O-N 3.47Å; Y832-K836 VanDerWaalsContact O-N 3.11Å; Y832-K836 WeakPolarHBondContact OH-CE 3.35Å; Y832-K836 PolarHBondContact OH-NZ 2.99Å; H833-K836 CarbonylContact O-C 3.58Å; H833-K836 PolarHBondContact O-N 2.92Å; H833-K836 VanDerWaalsContact O-N 3.15Å; A834-K836 VanDerWaalsContact C-N 3.27Å; A834-K836 PolarHBondContact O-N 2.93Å; K836-T838 VanDerWaalsContact C-N 3.27Å; K836-T838 PolarHBondContact O-N 2.82Å
837	G	92.1	Very high	91.6	Very high	71 Å²	71	52.7 Å²	52.7	73%	0.732	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	23.9	-174	0	0	0	0	0	113.9	H833 A834 I835	H833-G837 PolarHBondContact O-N 2.88Å; A834-G837 PolarHBondContact O-N 3.32Å; A834-G837 VanDerWaalsContact O-N 3.16Å; I835-G837 VanDerWaalsContact C-N 3.32Å
838	T	93.5	Very high	91.3	Very high	69 Å²	69	52.4 Å²	52.4	42%	0.423	29%	0.29	S	S	.	.			trans	-111.3	165.2	175.6	53.8	0	0	0	0	109.9	H833 K836	H833-T838 CarbonylContact C-O 3.56Å; H833-T838 WeakPolarHBondContact CA-OG1 3.12Å; H833-T838 WeakPolarHBondContact CB-O 3.34Å; H833-T838 PolarHBondContact ND1-OG1 3Å; H833-T838 PolarHBondContact O-N 3.08Å; H833-T838 PolarHBondContact O-OG1 2.87Å; K836-T838 VanDerWaalsContact C-N 3.27Å; K836-T838 PolarHBondContact O-N 2.82Å
839	Q	92.4	Very high	91.1	Very high	135 Å²	135	51 Å²	51	63%	0.631	28%	0.281	S	S	*	.			trans	-100.8	142.1	176.9	-69.5	179.5	-14	0	0	110.2	V211 L841	V211-Q839 HydrophobicContact CG1-CB 3.99Å; V211-Q839 HydrophobicContact CG1-CG 4.36Å; Q839-L841 PolarHBondContact O-N 2.93Å
840	F	94.5	Very high	90.9	Very high	4 Å²	4	51 Å²	51	2%	0.018	28%	0.282	C	S	.	.			trans	-82.8	107.9	174.5	177.6	-128.4	0	0	0	109.3	F143 A145 V211 V212 W826 A829 A830 H833 V842	F143-F840 WeakPolarHBondContact O-CD2 3.43Å; F143-F840 VanDerWaalsContact O-CE2 3.31Å; F143-F840 WeakPolarHBondContact O-CE2 3.38Å; A145-F840 HydrophobicContact CB-CE2 3.88Å; A145-F840 HydrophobicContact CB-CZ 3.91Å; V211-F840 WeakPolarHBondContact CA-O 3.43Å; V212-F840 HydrophobicContact CB-CD1 3.83Å; V212-F840 HydrophobicContact CB-CE1 4.24Å; V212-F840 HydrophobicContact CG1-CD1 4.32Å; V212-F840 PolarHBondContact N-O 3.09Å; W826-F840 HydrophobicContact CB-CE1 3.92Å; W826-F840 AromaticContact CD1-CE1 3.76Å; W826-F840 AromaticContact CD1-CZ 3.81Å; W826-F840 HydrophobicContact CD2-CE1 4.28Å; W826-F840 AromaticContact CG-CE1 3.73Å; W826-F840 HydrophobicContact CG-CE1 3.73Å; W826-F840 HydrophobicContact CG-CZ 4.26Å; A829-F840 HydrophobicContact CB-CD1 4.14Å; A829-F840 HydrophobicContact CB-CD2 3.66Å; A829-F840 HydrophobicContact CB-CE1 3.98Å; A829-F840 HydrophobicContact CB-CE2 3.46Å; A829-F840 VanDerWaalsContact CB-CE2 3.46Å; A829-F840 HydrophobicContact CB-CG 4.02Å; A829-F840 HydrophobicContact CB-CZ 3.65Å; A830-F840 HydrophobicContact CB-CB 4.46Å; A830-F840 HydrophobicContact CB-CD1 4.37Å; H833-F840 HydrophobicContact CB-CB 4.17Å; H833-F840 AromaticContact CD2-CD2 3.7Å; F840-V842 HydrophobicContact CD1-CG2 3.9Å; F840-V842 HydrophobicContact CE1-CG2 3.36Å; F840-V842 HydrophobicContact CE2-CG2 4.25Å; F840-V842 HydrophobicContact CZ-CG2 3.57Å
841	L	91.2	Very high	90.8	Very high	98 Å²	98	50.9 Å²	50.9	51%	0.513	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-91.3	121.3	-173.9	-61.2	174.5	0	0	0	110.5	A145 G210 V211 Q839	A145-L841 WeakPolarHBondContact CB-O 3.49Å; G210-L841 WeakPolarHBondContact O-CA 3.42Å; V211-L841 HydrophobicContact CG2-CD2 3.88Å; Q839-L841 PolarHBondContact O-N 2.93Å
842	V	89.9	Confident	90.6	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.03	27%	0.271	C	S	.	.			trans	-128.6	103.5	175.6	-174.6	0	0	0	0	107.6	A145 I204 G210 V212 W826 F840	A145-V842 HydrophobicContact CB-CB 4.4Å; A145-V842 HydrophobicContact CB-CG1 4.45Å; A145-V842 HydrophobicContact CB-CG2 3.87Å; I204-V842 HydrophobicContact CG2-CG1 4.06Å; G210-V842 CarbonylContact C-O 3.59Å; G210-V842 VanDerWaalsContact CA-O 3.26Å; G210-V842 WeakPolarHBondContact CA-O 3.28Å; G210-V842 PolarHBondContact O-N 2.91Å; V212-V842 HydrophobicContact CB-CG2 4.24Å; V212-V842 HydrophobicContact CG2-CB 3.94Å; V212-V842 HydrophobicContact CG2-CG2 3.63Å; W826-V842 HydrophobicContact CH2-CG1 4.11Å; W826-V842 HydrophobicContact CZ2-CG1 3.87Å; F840-V842 HydrophobicContact CD1-CG2 3.9Å; F840-V842 HydrophobicContact CE1-CG2 3.36Å; F840-V842 HydrophobicContact CE2-CG2 4.25Å; F840-V842 HydrophobicContact CZ-CG2 3.57Å
843	Q	83	Confident	90.5	Very high	121 Å²	121	46.2 Å²	46.2	57%	0.565	26%	0.262	S	S	*	.			trans	-71.3	129.2	-177.2	-64.8	-63.8	-12.1	0	0	110.7
844	P	81.1	Confident	90.5	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.091	26%	0.257	C	S	.	.			trans	-64.4	-57.4	-179.9	22.6	-30.9	0	0	0	111.4	I204 A205 S846 L847 G848	I204-P844 HydrophobicContact CB-CB 4.44Å; I204-P844 HydrophobicContact CG1-CB 4.21Å; A205-P844 HydrophobicContact CB-CB 4.28Å; P844-S846 PolarHBondContact O-N 2.77Å; P844-L847 CarbonylContact O-C 3.53Å; P844-L847 PolarHBondContact O-N 3.2Å; P844-G848 PolarHBondContact O-N 3.38Å
845	G	81	Confident	90.5	Very high	16 Å²	16	43.4 Å²	43.4	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	22.6	-117.4	177.3	0	0	0	0	0	115.8	L847 F849	G845-L847 PolarHBondContact O-N 2.76Å; G845-F849 PolarHBondContact O-N 2.84Å
846	S	83.5	Confident	90.4	Very high	7 Å²	7	40.8 Å²	40.8	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-30.3	-177.2	56.8	0	0	0	0	114.4	R33 P844 S850 E905 N906	R33-S846 PolarHBondContact NH1-OG 3.11Å; P844-S846 PolarHBondContact O-N 2.77Å; S846-S850 VanDerWaalsContact O-CB 3.23Å; S846-S850 WeakPolarHBondContact O-CB 3.47Å; S846-S850 PolarHBondContact O-N 3.01Å; S846-E905 VanDerWaalsContact CA-OE2 3.29Å; S846-E905 WeakPolarHBondContact CA-OE2 3.47Å; S846-E905 VanDerWaalsContact CB-OE2 3.24Å; S846-E905 WeakPolarHBondContact CB-OE2 3.43Å; S846-N906 VanDerWaalsContact CB-OD1 3.29Å; S846-N906 WeakPolarHBondContact CB-OD1 3.39Å; S846-N906 PolarHBondContact OG-OD1 3.04Å
847	L	87.8	Confident	90.6	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-48.6	176.9	179.5	61.7	0	0	0	110.8	P150 V154 M200 I204 W826 P844 G845 F849 S850 V851	P150-L847 HydrophobicContact CB-CD1 3.73Å; P150-L847 HydrophobicContact CB-CD2 3.82Å; P150-L847 HydrophobicContact CB-CG 4.44Å; V154-L847 HydrophobicContact CG2-CD1 3.99Å; M200-L847 HydrophobicContact SD-CD1 4.48Å; I204-L847 HydrophobicContact CD1-CD2 4.28Å; I204-L847 HydrophobicContact CD1-CG 4.2Å; W826-L847 HydrophobicContact CZ2-CD2 4.37Å; P844-L847 CarbonylContact O-C 3.53Å; P844-L847 PolarHBondContact O-N 3.2Å; G845-L847 PolarHBondContact O-N 2.76Å; L847-F849 VanDerWaalsContact C-N 3.31Å; L847-F849 PolarHBondContact O-N 2.96Å; L847-S850 PolarHBondContact O-N 2.83Å; L847-V851 HydrophobicContact CD1-CG2 4.16Å; L847-V851 HydrophobicContact CG-CG2 4.46Å; L847-V851 WeakPolarHBondContact O-CB 3.44Å; L847-V851 WeakPolarHBondContact O-CG2 3.45Å; L847-V851 PolarHBondContact O-N 3.32Å
848	G	89.3	Confident	90.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-41.8	176.2	0	0	0	0	0	111.8	P844 T852 F913	P844-G848 PolarHBondContact O-N 3.38Å; G848-T852 WeakPolarHBondContact O-CB 3.42Å; G848-T852 PolarHBondContact O-N 2.84Å; G848-T852 PolarHBondContact O-OG1 2.99Å; G848-F913 WeakPolarHBondContact O-CE2 3.27Å
849	F	90.7	Very high	90.7	Very high	30 Å²	30	34.5 Å²	34.5	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-48.1	176.5	-175.4	-93.1	0	0	0	112.1	G845 L847 T852 T853 L901 E905 F913	G845-F849 PolarHBondContact O-N 2.84Å; L847-F849 VanDerWaalsContact C-N 3.31Å; L847-F849 PolarHBondContact O-N 2.96Å; F849-T852 PolarHBondContact O-N 2.8Å; F849-T853 WeakPolarHBondContact O-CB 3.36Å; F849-T853 PolarHBondContact O-N 2.79Å; F849-T853 PolarHBondContact O-OG1 2.78Å; F849-L901 HydrophobicContact CE1-CB 4.11Å; F849-L901 WeakPolarHBondContact CE1-O 3.09Å; F849-L901 HydrophobicContact CZ-CB 4.38Å; F849-E905 HydrophobicContact CB-CG 4Å; F849-E905 HydrophobicContact CD1-CB 3.59Å; F849-E905 HydrophobicContact CD1-CG 3.73Å; F849-E905 HydrophobicContact CD2-CB 4.41Å; F849-E905 HydrophobicContact CD2-CG 3.91Å; F849-E905 HydrophobicContact CE1-CB 3.64Å; F849-E905 HydrophobicContact CE1-CG 4.17Å; F849-E905 HydrophobicContact CE2-CB 4.44Å; F849-E905 HydrophobicContact CE2-CG 4.32Å; F849-E905 HydrophobicContact CG-CB 4Å; F849-E905 HydrophobicContact CG-CG 3.59Å; F849-E905 HydrophobicContact CZ-CB 4.07Å; F849-E905 HydrophobicContact CZ-CG 4.44Å; F849-F913 HydrophobicContact CB-CD2 4.06Å; F849-F913 HydrophobicContact CB-CE2 4.3Å; F849-F913 VanDerWaalsContact N-CD2 3.35Å
850	S	91.8	Very high	90.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-48.2	177.2	173.3	0	0	0	0	111.7	V154 S846 L847 T852 T853 Y854 Y898	V154-S850 WeakPolarHBondContact CG1-OG 3.4Å; S846-S850 VanDerWaalsContact O-CB 3.23Å; S846-S850 WeakPolarHBondContact O-CB 3.47Å; S846-S850 PolarHBondContact O-N 3.01Å; L847-S850 PolarHBondContact O-N 2.83Å; S850-T852 PolarHBondContact O-N 2.98Å; S850-T853 PolarHBondContact O-N 2.82Å; S850-Y854 WeakPolarHBondContact O-CB 3.46Å; S850-Y854 PolarHBondContact O-N 3.5Å; S850-Y898 PolarHBondContact OG-OH 3.08Å
851	V	93.8	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-43.2	178.3	170.8	0	0	0	0	111.8	V154 Y197 M200 L847 Y854 C855	V154-V851 HydrophobicContact CG1-CG2 4.2Å; V154-V851 HydrophobicContact CG2-CG2 3.6Å; Y197-V851 WeakPolarHBondContact O-CG1 3.26Å; M200-V851 HydrophobicContact SD-CG2 3.73Å; L847-V851 HydrophobicContact CD1-CG2 4.16Å; L847-V851 HydrophobicContact CG-CG2 4.46Å; L847-V851 WeakPolarHBondContact O-CB 3.44Å; L847-V851 WeakPolarHBondContact O-CG2 3.45Å; L847-V851 PolarHBondContact O-N 3.32Å; V851-Y854 PolarHBondContact O-N 2.79Å; V851-C855 WeakPolarHBondContact O-CB 3.5Å; V851-C855 PolarHBondContact O-N 2.83Å; V851-C855 PolarHBondContact O-SG 2.73Å
852	T	92.3	Very high	90.8	Very high	27 Å²	27	27 Å²	27	17%	0.166	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-46.5	179.4	-58.3	0	0	0	0	111.1	Y201 G848 F849 S850 Y854 C855 I856 F913	Y201-T852 WeakPolarHBondContact CD2-OG1 3.39Å; G848-T852 WeakPolarHBondContact O-CB 3.42Å; G848-T852 PolarHBondContact O-N 2.84Å; G848-T852 PolarHBondContact O-OG1 2.99Å; F849-T852 PolarHBondContact O-N 2.8Å; S850-T852 PolarHBondContact O-N 2.98Å; T852-Y854 VanDerWaalsContact C-N 3.34Å; T852-Y854 PolarHBondContact O-N 3.01Å; T852-C855 PolarHBondContact O-N 2.85Å; T852-I856 HydrophobicContact CG2-CD1 4.25Å; T852-I856 WeakPolarHBondContact O-CG1 3.43Å; T852-I856 PolarHBondContact O-N 3.45Å; T852-I856 VanDerWaalsContact O-N 3.13Å; T852-F913 HydrophobicContact CG2-CZ 4.29Å; T852-F913 WeakPolarHBondContact OG1-CE2 3.42Å; T852-F913 WeakPolarHBondContact OG1-CZ 3.06Å
853	T	93.8	Very high	90.9	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-44.6	177.4	-55.7	0	0	0	0	110.9	F849 S850 I856 F857 Y898 L901	F849-T853 WeakPolarHBondContact O-CB 3.36Å; F849-T853 PolarHBondContact O-N 2.79Å; F849-T853 PolarHBondContact O-OG1 2.78Å; S850-T853 PolarHBondContact O-N 2.82Å; T853-I856 PolarHBondContact O-N 3.42Å; T853-F857 HydrophobicContact CG2-CD2 4.32Å; T853-F857 HydrophobicContact CG2-CE2 3.95Å; T853-F857 HydrophobicContact CG2-CZ 4.17Å; T853-F857 PolarHBondContact O-N 3.19Å; T853-F857 VanDerWaalsContact O-N 3.12Å; T853-Y898 HydrophobicContact CG2-CD2 4Å; T853-L901 HydrophobicContact CG2-CB 4.44Å; T853-L901 HydrophobicContact CG2-CD1 3.98Å
854	Y	95.4	Very high	91.4	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-50.4	174.3	168.6	-103.3	0	0	0	111.7	A157 A158 L161 F162 Y197 N814 S850 V851 T852 I856 F857 A858	A157-Y854 HydrophobicContact CB-CE2 4.19Å; A158-Y854 HydrophobicContact CB-CD2 3.83Å; A158-Y854 HydrophobicContact CB-CE2 4.24Å; L161-Y854 HydrophobicContact CD2-CE2 4.32Å; F162-Y854 HydrophobicContact CE2-CD2 4.25Å; F162-Y854 HydrophobicContact CZ-CD2 4.06Å; F162-Y854 HydrophobicContact CZ-CE2 4.24Å; Y197-Y854 AromaticContact CD1-CD1 3.92Å; Y197-Y854 HydrophobicContact CD1-CD1 3.92Å; Y197-Y854 AromaticContact CD1-CE1 3.97Å; Y197-Y854 HydrophobicContact CD1-CE1 3.97Å; Y197-Y854 HydrophobicContact CD2-CD1 4.18Å; Y197-Y854 AromaticContact CD2-CE1 3.45Å; Y197-Y854 HydrophobicContact CD2-CE1 3.45Å; Y197-Y854 VanDerWaalsContact CD2-CE1 3.45Å; Y197-Y854 HydrophobicContact CE1-CD1 4.49Å; Y197-Y854 HydrophobicContact CE1-CE1 4.33Å; Y197-Y854 AromaticContact CE2-CE1 3.88Å; Y197-Y854 HydrophobicContact CE2-CE1 3.88Å; Y197-Y854 AromaticContact CG-CD1 3.76Å; Y197-Y854 HydrophobicContact CG-CD1 3.76Å; Y197-Y854 AromaticContact CG-CE1 3.52Å; Y197-Y854 HydrophobicContact CG-CE1 3.52Å; N814-Y854 PolarHBondContact ND2-OH 2.82Å; S850-Y854 WeakPolarHBondContact O-CB 3.46Å; S850-Y854 PolarHBondContact O-N 3.5Å; V851-Y854 PolarHBondContact O-N 2.79Å; T852-Y854 VanDerWaalsContact C-N 3.34Å; T852-Y854 PolarHBondContact O-N 3.01Å; Y854-I856 VanDerWaalsContact C-N 3.31Å; Y854-I856 PolarHBondContact O-N 3.08Å; Y854-F857 PolarHBondContact O-N 3.39Å; Y854-A858 HydrophobicContact CE1-CB 4.22Å; Y854-A858 HydrophobicContact CE2-CB 4.16Å; Y854-A858 WeakPolarHBondContact O-CB 3.11Å; Y854-A858 PolarHBondContact O-N 2.73Å
855	C	94.5	Very high	91.8	Very high	18 Å²	18	28.5 Å²	28.5	12%	0.122	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-42.7	-179.1	-76.6	0	0	0	0	112.5	V851 T852 A858 L859	V851-C855 WeakPolarHBondContact O-CB 3.5Å; V851-C855 PolarHBondContact O-N 2.83Å; V851-C855 PolarHBondContact O-SG 2.73Å; T852-C855 PolarHBondContact O-N 2.85Å; C855-A858 PolarHBondContact O-N 2.77Å; C855-L859 WeakPolarHBondContact O-CG 3.33Å; C855-L859 PolarHBondContact O-N 2.69Å; C855-L859 VanDerWaalsContact O-N 3.09Å
856	I	94.6	Very high	92.2	Very high	86 Å²	86	30.3 Å²	30.3	44%	0.441	16%	0.156	S	C	.	.	H	α-helix	trans	-62.4	-50	177.8	-65.2	167.5	0	0	0	110.2	T852 T853 Y854 A858 L859 V860	T852-I856 HydrophobicContact CG2-CD1 4.25Å; T852-I856 WeakPolarHBondContact O-CG1 3.43Å; T852-I856 PolarHBondContact O-N 3.45Å; T852-I856 VanDerWaalsContact O-N 3.13Å; T853-I856 PolarHBondContact O-N 3.42Å; Y854-I856 VanDerWaalsContact C-N 3.31Å; Y854-I856 PolarHBondContact O-N 3.08Å; I856-A858 VanDerWaalsContact C-N 3.34Å; I856-A858 PolarHBondContact O-N 2.95Å; I856-L859 PolarHBondContact O-N 2.92Å; I856-V860 WeakPolarHBondContact O-CG2 3.32Å; I856-V860 PolarHBondContact O-N 3.14Å
857	F	96.5	Very high	92.5	Very high	32 Å²	32	35.5 Å²	35.5	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-71	-30.9	-179	-68.4	-3.6	0	0	0	112.7	F162 T853 Y854 V860 A861 L894 V897 L901	F162-F857 HydrophobicContact CE1-CB 4.13Å; F162-F857 HydrophobicContact CE2-CB 4.19Å; F162-F857 HydrophobicContact CZ-CB 3.52Å; T853-F857 HydrophobicContact CG2-CD2 4.32Å; T853-F857 HydrophobicContact CG2-CE2 3.95Å; T853-F857 HydrophobicContact CG2-CZ 4.17Å; T853-F857 PolarHBondContact O-N 3.19Å; T853-F857 VanDerWaalsContact O-N 3.12Å; Y854-F857 PolarHBondContact O-N 3.39Å; F857-V860 PolarHBondContact O-N 3.23Å; F857-A861 WeakPolarHBondContact O-CB 2.92Å; F857-A861 PolarHBondContact O-N 2.8Å; F857-L894 HydrophobicContact CD1-CD2 4.23Å; F857-L894 HydrophobicContact CD2-CB 4.42Å; F857-L894 HydrophobicContact CD2-CD2 4.32Å; F857-L894 HydrophobicContact CG-CD2 4.13Å; F857-V897 HydrophobicContact CE2-CB 4.15Å; F857-V897 HydrophobicContact CE2-CG1 3.82Å; F857-V897 HydrophobicContact CZ-CB 4.46Å; F857-V897 HydrophobicContact CZ-CG1 3.71Å; F857-L901 HydrophobicContact CE2-CD1 4.44Å; F857-L901 HydrophobicContact CZ-CD1 3.99Å
858	A	94.6	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-41.7	174.8	0	0	0	0	0	111.4	L161 L194 Y854 C855 I856 V860 A861 I862	L161-A858 HydrophobicContact CD2-CB 3.45Å; L161-A858 VanDerWaalsContact CD2-CB 3.45Å; L194-A858 HydrophobicContact CD2-CB 3.5Å; L194-A858 VanDerWaalsContact CD2-CB 3.5Å; Y854-A858 HydrophobicContact CE1-CB 4.22Å; Y854-A858 HydrophobicContact CE2-CB 4.16Å; Y854-A858 WeakPolarHBondContact O-CB 3.11Å; Y854-A858 PolarHBondContact O-N 2.73Å; C855-A858 PolarHBondContact O-N 2.77Å; I856-A858 VanDerWaalsContact C-N 3.34Å; I856-A858 PolarHBondContact O-N 2.95Å; A858-V860 VanDerWaalsContact C-N 3.35Å; A858-V860 PolarHBondContact O-N 3.48Å; A858-A861 PolarHBondContact O-N 2.85Å; A858-I862 WeakPolarHBondContact O-CB 3.36Å; A858-I862 WeakPolarHBondContact O-CD1 3.14Å; A858-I862 VanDerWaalsContact O-CG1 3.29Å; A858-I862 WeakPolarHBondContact O-CG1 3.23Å; A858-I862 PolarHBondContact O-N 3.35Å
859	L	93.9	Very high	92.7	Very high	104 Å²	104	39.5 Å²	39.5	55%	0.545	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-43.4	172.9	-75	170.6	0	0	0	112	L194 C855 I856 F863	L194-L859 HydrophobicContact CD1-CD2 3.54Å; L194-L859 HydrophobicContact CD1-CG 4.31Å; C855-L859 WeakPolarHBondContact O-CG 3.33Å; C855-L859 PolarHBondContact O-N 2.69Å; C855-L859 VanDerWaalsContact O-N 3.09Å; I856-L859 PolarHBondContact O-N 2.92Å; L859-F863 VanDerWaalsContact O-CB 3.3Å; L859-F863 WeakPolarHBondContact O-CB 3.36Å; L859-F863 PolarHBondContact O-N 3.46Å
860	V	95.1	Very high	92.4	Very high	59 Å²	59	44 Å²	44	36%	0.358	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-43.8	176.3	176	0	0	0	0	111	I856 F857 A858 F863 L864 F890 L894	I856-V860 WeakPolarHBondContact O-CG2 3.32Å; I856-V860 PolarHBondContact O-N 3.14Å; F857-V860 PolarHBondContact O-N 3.23Å; A858-V860 VanDerWaalsContact C-N 3.35Å; A858-V860 PolarHBondContact O-N 3.48Å; V860-F863 PolarHBondContact O-N 3.01Å; V860-L864 WeakPolarHBondContact O-CB 3.19Å; V860-L864 PolarHBondContact O-N 2.89Å; V860-F890 HydrophobicContact CG1-CE1 3.81Å; V860-F890 HydrophobicContact CG1-CZ 3.83Å; V860-L894 HydrophobicContact CG1-CD1 4.19Å
861	A	94	Very high	91.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-45.4	178.4	0	0	0	0	0	112.2	L161 F162 F857 A858 F863 L864 I865 L891	L161-A861 HydrophobicContact CD2-CB 4.38Å; L161-A861 HydrophobicContact CG-CB 4.3Å; F162-A861 HydrophobicContact CD1-CB 3.88Å; F162-A861 HydrophobicContact CE1-CB 3.75Å; F857-A861 WeakPolarHBondContact O-CB 2.92Å; F857-A861 PolarHBondContact O-N 2.8Å; A858-A861 PolarHBondContact O-N 2.85Å; A861-F863 VanDerWaalsContact C-N 3.34Å; A861-F863 PolarHBondContact O-N 2.81Å; A861-L864 WeakPolarHBondContact O-CB 3.39Å; A861-L864 PolarHBondContact O-N 3.16Å; A861-I865 VanDerWaalsContact O-CG1 3.29Å; A861-I865 WeakPolarHBondContact O-CG1 3.3Å; A861-I865 PolarHBondContact O-N 2.9Å; A861-L891 HydrophobicContact CB-CD2 3.75Å
862	I	91.3	Very high	91	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-42.5	176.3	-70.5	161.2	0	0	0	110.3	S190 L194 A858 L864 I865 L866	S190-I862 WeakPolarHBondContact OG-CD1 2.98Å; L194-I862 HydrophobicContact CD1-CD1 3.57Å; L194-I862 HydrophobicContact CD2-CD1 3.94Å; L194-I862 HydrophobicContact CG-CD1 3.72Å; A858-I862 WeakPolarHBondContact O-CB 3.36Å; A858-I862 WeakPolarHBondContact O-CD1 3.14Å; A858-I862 VanDerWaalsContact O-CG1 3.29Å; A858-I862 WeakPolarHBondContact O-CG1 3.23Å; A858-I862 PolarHBondContact O-N 3.35Å; I862-L864 VanDerWaalsContact C-N 3.32Å; I862-L864 PolarHBondContact O-N 3.45Å; I862-I865 PolarHBondContact O-N 3.48Å; I862-L866 HydrophobicContact CG2-CD1 4.03Å; I862-L866 HydrophobicContact CG2-CG 4.43Å; I862-L866 WeakPolarHBondContact O-CB 3.25Å; I862-L866 VanDerWaalsContact O-CG 3.3Å; I862-L866 WeakPolarHBondContact O-CG 2.85Å; I862-L866 PolarHBondContact O-N 2.82Å
863	F	91.6	Very high	90.6	Very high	143 Å²	143	58.1 Å²	58.1	63%	0.627	28%	0.281	S	S	*	.	H	α-helix	trans	-60.1	-42.5	174	179.5	-96.6	0	0	0	111.8	L859 V860 A861 L866 Y867	L859-F863 VanDerWaalsContact O-CB 3.3Å; L859-F863 WeakPolarHBondContact O-CB 3.36Å; L859-F863 PolarHBondContact O-N 3.46Å; V860-F863 PolarHBondContact O-N 3.01Å; A861-F863 VanDerWaalsContact C-N 3.34Å; A861-F863 PolarHBondContact O-N 2.81Å; F863-L866 PolarHBondContact O-N 3.27Å; F863-Y867 VanDerWaalsContact O-CB 3.23Å; F863-Y867 WeakPolarHBondContact O-CB 3.35Å; F863-Y867 PolarHBondContact O-N 2.88Å
864	L	93	Very high	90	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-46.8	175.8	178.2	65.8	0	0	0	111.9	V860 A861 I862 L866 Y867 R868 F890 L891	V860-L864 WeakPolarHBondContact O-CB 3.19Å; V860-L864 PolarHBondContact O-N 2.89Å; A861-L864 WeakPolarHBondContact O-CB 3.39Å; A861-L864 PolarHBondContact O-N 3.16Å; I862-L864 VanDerWaalsContact C-N 3.32Å; I862-L864 PolarHBondContact O-N 3.45Å; L864-L866 VanDerWaalsContact C-N 3.32Å; L864-L866 PolarHBondContact O-N 3.07Å; L864-Y867 PolarHBondContact O-N 3.39Å; L864-R868 VanDerWaalsContact O-CG 3.31Å; L864-R868 WeakPolarHBondContact O-CG 3.47Å; L864-R868 PolarHBondContact O-N 2.84Å; L864-F890 HydrophobicContact CD2-CD1 3.61Å; L864-F890 HydrophobicContact CD2-CE1 4.18Å; L864-L891 HydrophobicContact CD2-CD2 4.13Å; L864-L891 HydrophobicContact CD2-CG 4.14Å
865	I	90.3	Very high	89.6	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-46.8	177.6	-66.4	163.4	0	0	0	109.9	L161 I165 I807 A861 I862 R868 E876	L161-I865 HydrophobicContact CD1-CD1 4.48Å; I165-I865 HydrophobicContact CG2-CD1 3.97Å; I165-I865 HydrophobicContact CG2-CG1 4.23Å; I807-I865 HydrophobicContact CD1-CG2 4.25Å; A861-I865 VanDerWaalsContact O-CG1 3.29Å; A861-I865 WeakPolarHBondContact O-CG1 3.3Å; A861-I865 PolarHBondContact O-N 2.9Å; I862-I865 PolarHBondContact O-N 3.48Å; I865-R868 PolarHBondContact O-N 3.12Å; I865-E876 HydrophobicContact CG2-CB 4.08Å; I865-E876 HydrophobicContact CG2-CG 3.84Å
866	L	88.6	Confident	89.3	Confident	54 Å²	54	57.4 Å²	57.4	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-36.9	177.5	-68.1	176.3	0	0	0	112.6	F186 F187 I862 F863 L864 R868 R869	F186-L866 HydrophobicContact CE1-CD2 4.2Å; F187-L866 HydrophobicContact CE1-CD1 4.05Å; F187-L866 HydrophobicContact CE1-CD2 4.14Å; F187-L866 HydrophobicContact CZ-CD2 4.1Å; I862-L866 HydrophobicContact CG2-CD1 4.03Å; I862-L866 HydrophobicContact CG2-CG 4.43Å; I862-L866 WeakPolarHBondContact O-CB 3.25Å; I862-L866 VanDerWaalsContact O-CG 3.3Å; I862-L866 WeakPolarHBondContact O-CG 2.85Å; I862-L866 PolarHBondContact O-N 2.82Å; F863-L866 PolarHBondContact O-N 3.27Å; L864-L866 VanDerWaalsContact C-N 3.32Å; L864-L866 PolarHBondContact O-N 3.07Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 3.25Å; L866-R869 WeakPolarHBondContact O-CB 3.47Å; L866-R869 PolarHBondContact O-N 2.64Å
867	Y	90.4	Very high	89.2	Confident	116 Å²	116	53.3 Å²	53.3	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-38.4	177.1	179.3	-99.8	0	0	0	111.8	F863 L864 R869 K870 I873	F863-Y867 VanDerWaalsContact O-CB 3.23Å; F863-Y867 WeakPolarHBondContact O-CB 3.35Å; F863-Y867 PolarHBondContact O-N 2.88Å; L864-Y867 PolarHBondContact O-N 3.39Å; Y867-R869 PolarHBondContact O-N 3.13Å; Y867-R869 VanDerWaalsContact O-N 3.16Å; Y867-K870 HydrophobicContact CE2-CD 4.44Å; Y867-K870 VanDerWaalsContact O-CB 3.25Å; Y867-K870 WeakPolarHBondContact O-CB 3.48Å; Y867-K870 PolarHBondContact O-N 2.77Å; Y867-I873 HydrophobicContact CD1-CD1 4.45Å; Y867-I873 HydrophobicContact CE1-CD1 4.3Å
868	R	92.5	Very high	89	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-20	176.5	-72.1	177.3	63.6	81.9	7.3	113.7	L864 I865 L866 K870 I873 G875 E876 G878 A883 S887	L864-R868 VanDerWaalsContact O-CG 3.31Å; L864-R868 WeakPolarHBondContact O-CG 3.47Å; L864-R868 PolarHBondContact O-N 2.84Å; I865-R868 PolarHBondContact O-N 3.12Å; L866-R868 VanDerWaalsContact C-N 3.33Å; L866-R868 PolarHBondContact O-N 3.25Å; R868-K870 PolarHBondContact O-N 2.74Å; R868-I873 HydrophobicContact CB-CD1 4.46Å; R868-I873 HydrophobicContact CB-CG2 4.04Å; R868-I873 HydrophobicContact CG-CD1 4.12Å; R868-I873 HydrophobicContact CG-CG2 4.27Å; R868-I873 WeakPolarHBondContact O-CB 3.26Å; R868-G875 PolarHBondContact O-N 2.82Å; R868-E876 PolarHBondContact NE-O 2.95Å; R868-G878 PolarHBondContact NH2-O 2.87Å; R868-A883 PolarHBondContact NH1-O 3.33Å; R868-S887 PolarHBondContact NH1-OG 2.91Å
869	R	87.5	Confident	88.8	Confident	99 Å²	99	52.2 Å²	52.2	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.4	173.2	-160.7	178	178.5	-151.4	-12.8	113.8	L183 L866 Y867 E876	L183-R869 VanDerWaalsContact CD1-NH1 3.27Å; L866-R869 WeakPolarHBondContact O-CB 3.47Å; L866-R869 PolarHBondContact O-N 2.64Å; Y867-R869 PolarHBondContact O-N 3.13Å; Y867-R869 VanDerWaalsContact O-N 3.16Å; R869-E876 VanDerWaalsContact CD-OE1 3.23Å; R869-E876 WeakPolarHBondContact CD-OE1 3.46Å; R869-E876 WeakPolarHBondContact CG-OE1 3.4Å; R869-E876 IonicContact NE-OE1 3.26Å
870	K	86	Confident	88.6	Confident	124 Å²	124	50.3 Å²	50.3	54%	0.539	25%	0.249	S	C	.	.	S	Bend	trans	-56.5	146.1	177.7	-171	175.8	-179.8	-178.7	0	110.9	Y867 R868 S872 I873 G874	Y867-K870 HydrophobicContact CE2-CD 4.44Å; Y867-K870 VanDerWaalsContact O-CB 3.25Å; Y867-K870 WeakPolarHBondContact O-CB 3.48Å; Y867-K870 PolarHBondContact O-N 2.77Å; R868-K870 PolarHBondContact O-N 2.74Å; K870-S872 PolarHBondContact O-N 2.84Å; K870-I873 PolarHBondContact O-N 2.97Å; K870-G874 PolarHBondContact O-N 3.14Å
871	K	77.8	Confident	88.3	Confident	204 Å²	204	53.4 Å²	53.4	89%	0.887	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-28.1	-178.6	-72.8	-171.7	178.1	-176	0	114.8
872	S	78.6	Confident	88.1	Confident	97 Å²	97	58.5 Å²	58.5	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.9	179.5	-174.9	0	0	0	0	114.6	K870	K870-S872 PolarHBondContact O-N 2.84Å
873	I	83.2	Confident	88.1	Confident	25 Å²	25	58.7 Å²	58.7	13%	0.128	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-33	-178.8	-65.2	167.9	0	0	0	109.5	Y867 R868 K870 G875 P880 A883	Y867-I873 HydrophobicContact CD1-CD1 4.45Å; Y867-I873 HydrophobicContact CE1-CD1 4.3Å; R868-I873 HydrophobicContact CB-CD1 4.46Å; R868-I873 HydrophobicContact CB-CG2 4.04Å; R868-I873 HydrophobicContact CG-CD1 4.12Å; R868-I873 HydrophobicContact CG-CG2 4.27Å; R868-I873 WeakPolarHBondContact O-CB 3.26Å; K870-I873 PolarHBondContact O-N 2.97Å; I873-G875 PolarHBondContact O-N 2.73Å; I873-P880 WeakPolarHBondContact O-CD 3.45Å; I873-A883 HydrophobicContact CG1-CB 4.26Å
874	G	81.5	Confident	88.1	Confident	13 Å²	13	52.3 Å²	52.3	13%	0.134	27%	0.265	C	S	.	.			trans	93.3	-22.9	166.2	0	0	0	0	0	114.3	R179 K870	R179-G874 PolarHBondContact NE-O 3.45Å; R179-G874 PolarHBondContact NH2-O 2.93Å; K870-G874 PolarHBondContact O-N 3.14Å
875	G	85.9	Confident	88.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-170.9	165.1	178.2	0	0	0	0	0	113.4	R868 I873	R868-G875 PolarHBondContact O-N 2.82Å; I873-G875 PolarHBondContact O-N 2.73Å
876	E	89.2	Confident	88.4	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.309	C	S	.	.	S	Bend	trans	-61.8	-45.6	179.6	-68.9	81.8	169.9	0	0	110.7	R178 R179 I180 I807 I865 R868 R869	R178-E876 PolarHBondContact O-N 2.85Å; R179-E876 VanDerWaalsContact CA-OE2 3.27Å; R179-E876 WeakPolarHBondContact CA-OE2 3.45Å; I180-E876 HydrophobicContact CD1-CG 4.25Å; I180-E876 HydrophobicContact CG1-CG 4.3Å; I807-E876 HydrophobicContact CD1-CB 3.79Å; I807-E876 HydrophobicContact CD1-CG 4.48Å; I865-E876 HydrophobicContact CG2-CB 4.08Å; I865-E876 HydrophobicContact CG2-CG 3.84Å; R868-E876 PolarHBondContact NE-O 2.95Å; R869-E876 VanDerWaalsContact CD-OE1 3.23Å; R869-E876 WeakPolarHBondContact CD-OE1 3.46Å; R869-E876 WeakPolarHBondContact CG-OE1 3.4Å; R869-E876 IonicContact NE-OE1 3.26Å
877	L	91.9	Very high	88.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.3	174.9	-47.6	176.2	0	0	0	111.7	C168 I169 V172 V177 R178 A797 A803 I807	C168-L877 HydrophobicContact CB-CD1 4.11Å; C168-L877 HydrophobicContact CB-CD2 3.85Å; I169-L877 HydrophobicContact CG1-CD2 3.76Å; V172-L877 HydrophobicContact CG2-CB 3.84Å; V177-L877 WeakPolarHBondContact CA-O 3.16Å; R178-L877 HydrophobicContact CB-CB 4.04Å; R178-L877 HydrophobicContact CB-CD1 4.29Å; R178-L877 HydrophobicContact CB-CG 4.48Å; R178-L877 HydrophobicContact CG-CB 4.33Å; R178-L877 PolarHBondContact N-O 3.43Å; R178-L877 VanDerWaalsContact N-O 3.08Å; R178-L877 PolarHBondContact O-N 3Å; A797-L877 HydrophobicContact CB-CD1 4.11Å; A803-L877 HydrophobicContact CB-CD1 3.8Å; A803-L877 HydrophobicContact CB-CG 4.03Å; I807-L877 HydrophobicContact CD1-CD1 4.44Å; I807-L877 HydrophobicContact CD1-CD2 3.87Å; I807-L877 HydrophobicContact CD1-CG 4.01Å; I807-L877 HydrophobicContact CG1-CD1 4.36Å; I807-L877 HydrophobicContact CG1-CD2 4.17Å; I807-L877 HydrophobicContact CG1-CG 4.4Å
878	G	91.9	Very high	88.9	Confident	1 Å²	1	55 Å²	55	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.1	-138.9	178.9	0	0	0	0	0	114.1	R868	R868-G878 PolarHBondContact NH2-O 2.87Å
879	G	89.8	Confident	89.1	Confident	8 Å²	8	58.7 Å²	58.7	8%	0.082	31%	0.305	C	S	.	.			trans	84	-163.7	179.5	0	0	0	0	0	114.3	Q176 K881	Q176-G879 PolarHBondContact O-N 3.36Å; G879-K881 PolarHBondContact O-N 3.22Å
880	P	91.1	Very high	89.6	Confident	65 Å²	65	57.7 Å²	57.7	42%	0.422	30%	0.303	S	S	.	.	S	Bend	trans	-57.1	136.6	-173.8	-24.8	33	0	0	0	112.6	I873 V882 A883 K884	I873-P880 WeakPolarHBondContact O-CD 3.45Å; P880-V882 VanDerWaalsContact C-N 3.3Å; P880-V882 PolarHBondContact O-N 2.84Å; P880-V882 VanDerWaalsContact O-N 3.15Å; P880-A883 HydrophobicContact CB-CB 4.29Å; P880-A883 PolarHBondContact O-N 3.37Å; P880-K884 WeakPolarHBondContact O-CB 3.4Å; P880-K884 PolarHBondContact O-N 3.29Å
881	K	88.6	Confident	90.1	Very high	123 Å²	123	51.8 Å²	51.8	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-47.8	-49.1	-174.7	-62.8	-167.5	-177.9	-149.2	0	113.1	D174 G879 K884 Y885	D174-K881 VanDerWaalsContact CG-CE 3.48Å; D174-K881 WeakPolarHBondContact OD2-CE 3.32Å; D174-K881 IonicContact OD2-NZ 2.9Å; D174-K881 PolarHBondContact OD2-NZ 3.12Å; G879-K881 PolarHBondContact O-N 3.22Å; K881-K884 WeakPolarHBondContact O-CB 3.29Å; K881-K884 PolarHBondContact O-N 3.26Å; K881-Y885 WeakPolarHBondContact O-CD2 3.46Å; K881-Y885 PolarHBondContact O-N 3.34Å; K881-Y885 VanDerWaalsContact O-N 3.1Å
882	V	90.7	Very high	91	Very high	108 Å²	108	46 Å²	46	66%	0.655	25%	0.253	S	S	*	.	H	α-helix	trans	-63.8	-48.4	-179.1	178.7	0	0	0	0	111.3	P880 K884 Y885 I886	P880-V882 VanDerWaalsContact C-N 3.3Å; P880-V882 PolarHBondContact O-N 2.84Å; P880-V882 VanDerWaalsContact O-N 3.15Å; V882-K884 VanDerWaalsContact C-N 3.29Å; V882-K884 PolarHBondContact O-N 3.39Å; V882-Y885 PolarHBondContact O-N 2.78Å; V882-I886 HydrophobicContact CG1-CD1 3.58Å; V882-I886 HydrophobicContact CG1-CG1 4.32Å; V882-I886 WeakPolarHBondContact O-CB 3.36Å; V882-I886 VanDerWaalsContact O-CG1 3.25Å; V882-I886 WeakPolarHBondContact O-CG1 3.29Å; V882-I886 PolarHBondContact O-N 2.99Å
883	A	90.4	Very high	91.9	Very high	23 Å²	23	47 Å²	47	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-36.1	179.6	0	0	0	0	0	112.2	R868 I873 P880 S887	R868-A883 PolarHBondContact NH1-O 3.33Å; I873-A883 HydrophobicContact CG1-CB 4.26Å; P880-A883 HydrophobicContact CB-CB 4.29Å; P880-A883 PolarHBondContact O-N 3.37Å; A883-S887 PolarHBondContact O-N 2.8Å; A883-S887 VanDerWaalsContact O-N 3.07Å; A883-S887 PolarHBondContact O-OG 2.83Å
884	K	91.9	Very high	92.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-54.5	175.6	176.4	179	170.4	-176.8	0	111.3	I169 V170 V172 D174 P880 K881 V882 A888	I169-K884 HydrophobicContact CG2-CB 4.32Å; I169-K884 HydrophobicContact CG2-CG 3.85Å; I169-K884 WeakPolarHBondContact CG2-O 3.31Å; I169-K884 WeakPolarHBondContact O-CE 3.26Å; I169-K884 VanDerWaalsContact O-CG 3.3Å; I169-K884 WeakPolarHBondContact O-CG 3.45Å; V170-K884 WeakPolarHBondContact O-CE 3.41Å; V170-K884 PolarHBondContact O-NZ 3.25Å; V172-K884 PolarHBondContact O-NZ 3.46Å; D174-K884 IonicContact OD1-NZ 2.95Å; D174-K884 PolarHBondContact OD1-NZ 2.96Å; P880-K884 WeakPolarHBondContact O-CB 3.4Å; P880-K884 PolarHBondContact O-N 3.29Å; K881-K884 WeakPolarHBondContact O-CB 3.29Å; K881-K884 PolarHBondContact O-N 3.26Å; V882-K884 VanDerWaalsContact C-N 3.29Å; V882-K884 PolarHBondContact O-N 3.39Å; K884-A888 WeakPolarHBondContact O-CB 3.26Å; K884-A888 PolarHBondContact O-N 2.92Å; K884-A888 VanDerWaalsContact O-N 3.07Å
885	Y	93.8	Very high	93.3	Very high	133 Å²	133	48.3 Å²	48.3	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-67.6	-38	178.9	-71.3	-65.4	0	0	0	113.4	V170 K881 V882 S889	V170-Y885 HydrophobicContact CG1-CD1 4.48Å; V170-Y885 HydrophobicContact CG1-CE1 3.86Å; V170-Y885 HydrophobicContact CG2-CD1 4.42Å; K881-Y885 WeakPolarHBondContact O-CD2 3.46Å; K881-Y885 PolarHBondContact O-N 3.34Å; K881-Y885 VanDerWaalsContact O-N 3.1Å; V882-Y885 PolarHBondContact O-N 2.78Å; Y885-S889 WeakPolarHBondContact O-CB 3.22Å; Y885-S889 PolarHBondContact O-N 2.91Å
886	I	94.6	Very high	93.8	Very high	109 Å²	109	54.3 Å²	54.3	56%	0.559	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-50.3	177.7	-70.9	172.1	0	0	0	110.8	V882 S889 F890	V882-I886 HydrophobicContact CG1-CD1 3.58Å; V882-I886 HydrophobicContact CG1-CG1 4.32Å; V882-I886 WeakPolarHBondContact O-CB 3.36Å; V882-I886 VanDerWaalsContact O-CG1 3.25Å; V882-I886 WeakPolarHBondContact O-CG1 3.29Å; V882-I886 PolarHBondContact O-N 2.99Å; I886-S889 PolarHBondContact O-N 3.07Å; I886-F890 WeakPolarHBondContact O-CB 3.45Å; I886-F890 PolarHBondContact O-N 3.33Å
887	S	94.5	Very high	94.1	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-39.5	-179.1	-62.6	0	0	0	0	112.5	R868 A883 F890 L891	R868-S887 PolarHBondContact NH1-OG 2.91Å; A883-S887 PolarHBondContact O-N 2.8Å; A883-S887 VanDerWaalsContact O-N 3.07Å; A883-S887 PolarHBondContact O-OG 2.83Å; S887-F890 PolarHBondContact O-N 2.82Å; S887-L891 WeakPolarHBondContact O-CG 3.3Å; S887-L891 PolarHBondContact O-N 3.04Å
888	A	95.6	Very high	94.3	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-50.2	176.1	0	0	0	0	0	111.3	G166 I169 V170 K884 F890 L891 F892	G166-A888 WeakPolarHBondContact O-CB 3.3Å; I169-A888 HydrophobicContact CG2-CB 4.41Å; V170-A888 HydrophobicContact CG2-CB 3.28Å; K884-A888 WeakPolarHBondContact O-CB 3.26Å; K884-A888 PolarHBondContact O-N 2.92Å; K884-A888 VanDerWaalsContact O-N 3.07Å; A888-F890 PolarHBondContact O-N 2.81Å; A888-L891 PolarHBondContact O-N 3.11Å; A888-F892 VanDerWaalsContact O-CD2 3.31Å; A888-F892 WeakPolarHBondContact O-CD2 3.31Å; A888-F892 PolarHBondContact O-N 2.85Å
889	S	96.6	Very high	94.4	Very high	79 Å²	79	57.3 Å²	57.3	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-55.6	-41.1	176.6	-177.3	0	0	0	0	111.9	Y885 I886 F892 F893	Y885-S889 WeakPolarHBondContact O-CB 3.22Å; Y885-S889 PolarHBondContact O-N 2.91Å; I886-S889 PolarHBondContact O-N 3.07Å; S889-F892 PolarHBondContact O-N 3.01Å; S889-F893 VanDerWaalsContact O-CB 3.31Å; S889-F893 WeakPolarHBondContact O-CB 3.14Å; S889-F893 PolarHBondContact O-N 2.99Å
890	F	97.5	Very high	94.6	Very high	78 Å²	78	60.9 Å²	60.9	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-40.6	175.3	-179	-98.2	0	0	0	113.2	V860 L864 I886 S887 A888 F893 L894	V860-F890 HydrophobicContact CG1-CE1 3.81Å; V860-F890 HydrophobicContact CG1-CZ 3.83Å; L864-F890 HydrophobicContact CD2-CD1 3.61Å; L864-F890 HydrophobicContact CD2-CE1 4.18Å; I886-F890 WeakPolarHBondContact O-CB 3.45Å; I886-F890 PolarHBondContact O-N 3.33Å; S887-F890 PolarHBondContact O-N 2.82Å; A888-F890 PolarHBondContact O-N 2.81Å; F890-F893 WeakPolarHBondContact O-CB 3.46Å; F890-F893 PolarHBondContact O-N 2.82Å; F890-L894 HydrophobicContact CD1-CD1 4.13Å; F890-L894 HydrophobicContact CD1-CG 4.35Å; F890-L894 HydrophobicContact CE1-CD1 3.6Å; F890-L894 HydrophobicContact CE1-CD2 4.41Å; F890-L894 HydrophobicContact CE1-CG 3.99Å; F890-L894 HydrophobicContact CZ-CD1 4.14Å; F890-L894 HydrophobicContact CZ-CD2 4.13Å; F890-L894 HydrophobicContact CZ-CG 4.17Å; F890-L894 WeakPolarHBondContact O-CG 3.43Å; F890-L894 PolarHBondContact O-N 3.23Å
891	L	97	Very high	94.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-42.7	175.7	-69.7	173.3	0	0	0	112.1	F162 I165 I169 A861 L864 S887 A888 F893 L894 W895	F162-L891 WeakPolarHBondContact O-CB 3.4Å; I165-L891 HydrophobicContact CB-CD1 4.3Å; I165-L891 HydrophobicContact CG2-CD1 4.04Å; I169-L891 HydrophobicContact CD1-CD1 3.8Å; A861-L891 HydrophobicContact CB-CD2 3.75Å; L864-L891 HydrophobicContact CD2-CD2 4.13Å; L864-L891 HydrophobicContact CD2-CG 4.14Å; S887-L891 WeakPolarHBondContact O-CG 3.3Å; S887-L891 PolarHBondContact O-N 3.04Å; A888-L891 PolarHBondContact O-N 3.11Å; L891-F893 VanDerWaalsContact C-N 3.27Å; L891-F893 PolarHBondContact O-N 2.99Å; L891-L894 HydrophobicContact CD2-CD1 4.48Å; L891-L894 PolarHBondContact O-N 3.29Å; L891-W895 PolarHBondContact O-N 3.37Å; L891-W895 VanDerWaalsContact O-N 3.09Å
892	F	97	Very high	94.8	Very high	82 Å²	82	54.3 Å²	54.3	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-39.7	172.6	-85.6	-84.8	0	0	0	111.9	V163 V167 A888 S889 W895 F896	V163-F892 HydrophobicContact CB-CE1 4.39Å; V163-F892 HydrophobicContact CG1-CD1 4.42Å; V163-F892 HydrophobicContact CG1-CE1 3.61Å; V163-F892 HydrophobicContact CG1-CZ 3.84Å; V163-F892 HydrophobicContact CG2-CD1 4.28Å; V163-F892 HydrophobicContact CG2-CE1 4.26Å; V167-F892 HydrophobicContact CG2-CE2 4.36Å; V167-F892 HydrophobicContact CG2-CZ 3.84Å; A888-F892 VanDerWaalsContact O-CD2 3.31Å; A888-F892 WeakPolarHBondContact O-CD2 3.31Å; A888-F892 PolarHBondContact O-N 2.85Å; S889-F892 PolarHBondContact O-N 3.01Å; F892-W895 PolarHBondContact O-N 2.8Å; F892-F896 PolarHBondContact O-N 3.1Å
893	F	97.3	Very high	94.7	Very high	119 Å²	119	49.8 Å²	49.8	52%	0.522	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-45.4	175	174.4	-101.9	0	0	0	111.8	S889 F890 L891 W895 F896 V897	S889-F893 VanDerWaalsContact O-CB 3.31Å; S889-F893 WeakPolarHBondContact O-CB 3.14Å; S889-F893 PolarHBondContact O-N 2.99Å; F890-F893 WeakPolarHBondContact O-CB 3.46Å; F890-F893 PolarHBondContact O-N 2.82Å; L891-F893 VanDerWaalsContact C-N 3.27Å; L891-F893 PolarHBondContact O-N 2.99Å; F893-W895 VanDerWaalsContact C-N 3.29Å; F893-W895 PolarHBondContact O-N 2.76Å; F893-F896 PolarHBondContact O-N 3.11Å; F893-V897 HydrophobicContact CD1-CG2 4.2Å; F893-V897 HydrophobicContact CD2-CG2 4.11Å; F893-V897 HydrophobicContact CE1-CG2 3.77Å; F893-V897 HydrophobicContact CE2-CG2 3.66Å; F893-V897 HydrophobicContact CG-CG2 4.37Å; F893-V897 HydrophobicContact CZ-CG2 3.48Å; F893-V897 VanDerWaalsContact CZ-CG2 3.48Å; F893-V897 VanDerWaalsContact O-CG2 3.31Å; F893-V897 WeakPolarHBondContact O-CG2 3.35Å; F893-V897 PolarHBondContact O-N 2.61Å
894	L	97.3	Very high	94.7	Very high	11 Å²	11	51 Å²	51	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-41.5	175.2	-72.3	-179.1	0	0	0	112.1	F857 V860 F890 L891 V897 Y898	F857-L894 HydrophobicContact CD1-CD2 4.23Å; F857-L894 HydrophobicContact CD2-CB 4.42Å; F857-L894 HydrophobicContact CD2-CD2 4.32Å; F857-L894 HydrophobicContact CG-CD2 4.13Å; V860-L894 HydrophobicContact CG1-CD1 4.19Å; F890-L894 HydrophobicContact CD1-CD1 4.13Å; F890-L894 HydrophobicContact CD1-CG 4.35Å; F890-L894 HydrophobicContact CE1-CD1 3.6Å; F890-L894 HydrophobicContact CE1-CD2 4.41Å; F890-L894 HydrophobicContact CE1-CG 3.99Å; F890-L894 HydrophobicContact CZ-CD1 4.14Å; F890-L894 HydrophobicContact CZ-CD2 4.13Å; F890-L894 HydrophobicContact CZ-CG 4.17Å; F890-L894 WeakPolarHBondContact O-CG 3.43Å; F890-L894 PolarHBondContact O-N 3.23Å; L891-L894 HydrophobicContact CD2-CD1 4.48Å; L891-L894 PolarHBondContact O-N 3.29Å; L894-V897 PolarHBondContact O-N 3.42Å; L894-Y898 VanDerWaalsContact O-CB 3.26Å; L894-Y898 WeakPolarHBondContact O-CB 3.09Å; L894-Y898 PolarHBondContact O-N 2.89Å
895	W	96.8	Very high	94.4	Very high	53 Å²	53	51.5 Å²	51.5	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-44.1	176.5	178.6	76.4	0	0	0	112.7	F159 F162 V163 L891 F892 F893 Y898 I899	F159-W895 AromaticContact CD2-CE2 3.77Å; F159-W895 AromaticContact CD2-CZ2 3.84Å; F159-W895 HydrophobicContact CD2-CZ2 3.84Å; F159-W895 AromaticContact CD2-NE1 3.66Å; F159-W895 HydrophobicContact CE2-CZ2 4.19Å; F162-W895 HydrophobicContact CB-CB 3.88Å; F162-W895 HydrophobicContact CD2-CB 4.01Å; F162-W895 HydrophobicContact CG-CB 4.4Å; V163-W895 HydrophobicContact CG2-CB 3.88Å; V163-W895 HydrophobicContact CG2-CD2 3.59Å; V163-W895 HydrophobicContact CG2-CE3 4.06Å; V163-W895 HydrophobicContact CG2-CG 3.51Å; L891-W895 PolarHBondContact O-N 3.37Å; L891-W895 VanDerWaalsContact O-N 3.09Å; F892-W895 PolarHBondContact O-N 2.8Å; F893-W895 VanDerWaalsContact C-N 3.29Å; F893-W895 PolarHBondContact O-N 2.76Å; W895-Y898 WeakPolarHBondContact O-CB 3.46Å; W895-Y898 PolarHBondContact O-N 3.1Å; W895-I899 HydrophobicContact CD2-CD1 3.81Å; W895-I899 HydrophobicContact CE3-CD1 4.14Å; W895-I899 HydrophobicContact CH2-CD1 3.58Å; W895-I899 HydrophobicContact CZ2-CD1 3.19Å; W895-I899 HydrophobicContact CZ3-CD1 4.03Å; W895-I899 PolarHBondContact O-N 2.83Å
896	F	96.4	Very high	94	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.553	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-45.2	176.1	179.5	-96.1	0	0	0	111.9	F892 F893 Y898 I899 L900	F892-F896 PolarHBondContact O-N 3.1Å; F893-F896 PolarHBondContact O-N 3.11Å; F896-Y898 VanDerWaalsContact C-N 3.3Å; F896-Y898 PolarHBondContact O-N 3.06Å; F896-I899 PolarHBondContact O-N 2.82Å; F896-L900 HydrophobicContact CE1-CD2 4.49Å; F896-L900 WeakPolarHBondContact O-CB 3.12Å; F896-L900 PolarHBondContact O-N 3.4Å
897	V	96.1	Very high	93.5	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-39.3	176.3	174.3	0	0	0	0	110.8	F857 F893 L894 L900 L901	F857-V897 HydrophobicContact CE2-CB 4.15Å; F857-V897 HydrophobicContact CE2-CG1 3.82Å; F857-V897 HydrophobicContact CZ-CB 4.46Å; F857-V897 HydrophobicContact CZ-CG1 3.71Å; F893-V897 HydrophobicContact CD1-CG2 4.2Å; F893-V897 HydrophobicContact CD2-CG2 4.11Å; F893-V897 HydrophobicContact CE1-CG2 3.77Å; F893-V897 HydrophobicContact CE2-CG2 3.66Å; F893-V897 HydrophobicContact CG-CG2 4.37Å; F893-V897 HydrophobicContact CZ-CG2 3.48Å; F893-V897 VanDerWaalsContact CZ-CG2 3.48Å; F893-V897 VanDerWaalsContact O-CG2 3.31Å; F893-V897 WeakPolarHBondContact O-CG2 3.35Å; F893-V897 PolarHBondContact O-N 2.61Å; L894-V897 PolarHBondContact O-N 3.42Å; V897-L900 PolarHBondContact O-N 3.02Å; V897-L901 HydrophobicContact CG1-CD1 3.84Å; V897-L901 HydrophobicContact CG1-CG 4.14Å; V897-L901 WeakPolarHBondContact O-CB 3.31Å; V897-L901 VanDerWaalsContact O-CG 3.3Å; V897-L901 WeakPolarHBondContact O-CG 3.44Å; V897-L901 PolarHBondContact O-N 2.91Å
898	Y	96.3	Very high	92.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-49.5	175.7	162.2	-102.5	0	0	0	111.8	A158 I778 S850 T853 L894 W895 F896 L900 L901 A902	A158-Y898 HydrophobicContact CB-CD1 3.71Å; A158-Y898 HydrophobicContact CB-CE1 3.44Å; A158-Y898 VanDerWaalsContact CB-CE1 3.44Å; A158-Y898 HydrophobicContact CB-CG 4.37Å; I778-Y898 HydrophobicContact CG2-CE1 3.51Å; S850-Y898 PolarHBondContact OG-OH 3.08Å; T853-Y898 HydrophobicContact CG2-CD2 4Å; L894-Y898 VanDerWaalsContact O-CB 3.26Å; L894-Y898 WeakPolarHBondContact O-CB 3.09Å; L894-Y898 PolarHBondContact O-N 2.89Å; W895-Y898 WeakPolarHBondContact O-CB 3.46Å; W895-Y898 PolarHBondContact O-N 3.1Å; F896-Y898 VanDerWaalsContact C-N 3.3Å; F896-Y898 PolarHBondContact O-N 3.06Å; Y898-L900 VanDerWaalsContact C-N 3.32Å; Y898-L900 PolarHBondContact O-N 2.94Å; Y898-L901 PolarHBondContact O-N 2.87Å; Y898-A902 VanDerWaalsContact O-CB 3.31Å; Y898-A902 WeakPolarHBondContact O-CB 3.49Å; Y898-A902 PolarHBondContact O-N 3.45Å
899	I	94.2	Very high	92.1	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.185	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-44.1	176.3	-72	173.2	0	0	0	110.8	I778 T779 W895 F896 G903	I778-I899 HydrophobicContact CG2-CG1 4.45Å; T779-I899 HydrophobicContact CG2-CD1 4.17Å; T779-I899 HydrophobicContact CG2-CG1 4.26Å; T779-I899 HydrophobicContact CG2-CG2 3.64Å; W895-I899 HydrophobicContact CD2-CD1 3.81Å; W895-I899 HydrophobicContact CE3-CD1 4.14Å; W895-I899 HydrophobicContact CH2-CD1 3.58Å; W895-I899 HydrophobicContact CZ2-CD1 3.19Å; W895-I899 HydrophobicContact CZ3-CD1 4.03Å; W895-I899 PolarHBondContact O-N 2.83Å; F896-I899 PolarHBondContact O-N 2.82Å; I899-G903 PolarHBondContact O-N 2.91Å
900	L	93.6	Very high	91.4	Very high	82 Å²	82	50.3 Å²	50.3	43%	0.429	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-50.4	179.6	-179.3	65.7	0	0	0	111	F896 V897 Y898 G903 L904	F896-L900 HydrophobicContact CE1-CD2 4.49Å; F896-L900 WeakPolarHBondContact O-CB 3.12Å; F896-L900 PolarHBondContact O-N 3.4Å; V897-L900 PolarHBondContact O-N 3.02Å; Y898-L900 VanDerWaalsContact C-N 3.32Å; Y898-L900 PolarHBondContact O-N 2.94Å; L900-G903 PolarHBondContact O-N 2.78Å; L900-L904 HydrophobicContact CD1-CD1 4.09Å; L900-L904 HydrophobicContact CD1-CG 4.18Å; L900-L904 HydrophobicContact CG-CD1 3.96Å; L900-L904 HydrophobicContact CG-CG 4.39Å; L900-L904 WeakPolarHBondContact O-CB 3.13Å; L900-L904 WeakPolarHBondContact O-CG 3.42Å; L900-L904 PolarHBondContact O-N 2.92Å
901	L	93.5	Very high	90	Very high	48 Å²	48	54.2 Å²	54.2	25%	0.251	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-46.9	179.8	-69.8	176.3	0	0	0	111.7	F849 T853 F857 V897 Y898 G903 L904 E905 I910	F849-L901 HydrophobicContact CE1-CB 4.11Å; F849-L901 WeakPolarHBondContact CE1-O 3.09Å; F849-L901 HydrophobicContact CZ-CB 4.38Å; T853-L901 HydrophobicContact CG2-CB 4.44Å; T853-L901 HydrophobicContact CG2-CD1 3.98Å; F857-L901 HydrophobicContact CE2-CD1 4.44Å; F857-L901 HydrophobicContact CZ-CD1 3.99Å; V897-L901 HydrophobicContact CG1-CD1 3.84Å; V897-L901 HydrophobicContact CG1-CG 4.14Å; V897-L901 WeakPolarHBondContact O-CB 3.31Å; V897-L901 VanDerWaalsContact O-CG 3.3Å; V897-L901 WeakPolarHBondContact O-CG 3.44Å; V897-L901 PolarHBondContact O-N 2.91Å; Y898-L901 PolarHBondContact O-N 2.87Å; L901-G903 VanDerWaalsContact C-N 3.29Å; L901-G903 PolarHBondContact O-N 2.79Å; L901-L904 PolarHBondContact O-N 2.98Å; L901-E905 PolarHBondContact O-N 2.73Å; L901-I910 HydrophobicContact CD2-CD1 3.86Å
902	A	90.4	Very high	88.6	Confident	2 Å²	2	54.9 Å²	54.9	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-38.8	177.4	0	0	0	0	0	111.7	I778 Y898 N906	I778-A902 HydrophobicContact CD1-CB 4.37Å; Y898-A902 VanDerWaalsContact O-CB 3.31Å; Y898-A902 WeakPolarHBondContact O-CB 3.49Å; Y898-A902 PolarHBondContact O-N 3.45Å; A902-N906 WeakPolarHBondContact O-CB 3.35Å; A902-N906 PolarHBondContact O-N 3.19Å; A902-N906 VanDerWaalsContact O-N 3.16Å; A902-N906 PolarHBondContact O-ND2 2.92Å
903	G	88.9	Confident	86.7	Confident	14 Å²	14	53.3 Å²	53.3	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-48.9	174.6	0	0	0	0	0	112.5	I899 L900 L901 E905 N906 Y907	I899-G903 PolarHBondContact O-N 2.91Å; L900-G903 PolarHBondContact O-N 2.78Å; L901-G903 VanDerWaalsContact C-N 3.29Å; L901-G903 PolarHBondContact O-N 2.79Å; G903-E905 VanDerWaalsContact C-N 3.31Å; G903-E905 PolarHBondContact O-N 3.17Å; G903-N906 PolarHBondContact O-N 2.75Å; G903-Y907 WeakPolarHBondContact O-CD2 3.43Å; G903-Y907 PolarHBondContact O-N 2.86Å
904	L	88.9	Confident	86.2	Confident	48 Å²	48	50.1 Å²	50.1	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-37.6	-179	-70.4	176	0	0	0	112.6	L900 L901 Y907 C908 I909 I910	L900-L904 HydrophobicContact CD1-CD1 4.09Å; L900-L904 HydrophobicContact CD1-CG 4.18Å; L900-L904 HydrophobicContact CG-CD1 3.96Å; L900-L904 HydrophobicContact CG-CG 4.39Å; L900-L904 WeakPolarHBondContact O-CB 3.13Å; L900-L904 WeakPolarHBondContact O-CG 3.42Å; L900-L904 PolarHBondContact O-N 2.92Å; L901-L904 PolarHBondContact O-N 2.98Å; L904-Y907 PolarHBondContact O-N 2.89Å; L904-C908 PolarHBondContact O-N 3.1Å; L904-I909 HydrophobicContact CB-CB 4.32Å; L904-I909 HydrophobicContact CD2-CB 4.1Å; L904-I909 HydrophobicContact CD2-CD1 3.55Å; L904-I909 HydrophobicContact CD2-CG1 4.42Å; L904-I909 HydrophobicContact CD2-CG2 4.02Å; L904-I909 WeakPolarHBondContact O-CB 3.47Å; L904-I909 PolarHBondContact O-N 3.18Å; L904-I910 HydrophobicContact CB-CD1 3.7Å; L904-I910 HydrophobicContact CB-CG1 3.96Å; L904-I910 HydrophobicContact CD1-CD1 3.69Å; L904-I910 HydrophobicContact CD1-CG1 4.4Å; L904-I910 HydrophobicContact CG-CD1 4.36Å; L904-I910 PolarHBondContact O-N 3.3Å
905	E	87.1	Confident	85.6	Confident	19 Å²	19	52.1 Å²	52.1	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-44.7	174.3	-177.3	-84.6	168.1	0	0	111.8	S846 F849 L901 G903 Y907 C908	S846-E905 VanDerWaalsContact CA-OE2 3.29Å; S846-E905 WeakPolarHBondContact CA-OE2 3.47Å; S846-E905 VanDerWaalsContact CB-OE2 3.24Å; S846-E905 WeakPolarHBondContact CB-OE2 3.43Å; F849-E905 HydrophobicContact CB-CG 4Å; F849-E905 HydrophobicContact CD1-CB 3.59Å; F849-E905 HydrophobicContact CD1-CG 3.73Å; F849-E905 HydrophobicContact CD2-CB 4.41Å; F849-E905 HydrophobicContact CD2-CG 3.91Å; F849-E905 HydrophobicContact CE1-CB 3.64Å; F849-E905 HydrophobicContact CE1-CG 4.17Å; F849-E905 HydrophobicContact CE2-CB 4.44Å; F849-E905 HydrophobicContact CE2-CG 4.32Å; F849-E905 HydrophobicContact CG-CB 4Å; F849-E905 HydrophobicContact CG-CG 3.59Å; F849-E905 HydrophobicContact CZ-CB 4.07Å; F849-E905 HydrophobicContact CZ-CG 4.44Å; L901-E905 PolarHBondContact O-N 2.73Å; G903-E905 VanDerWaalsContact C-N 3.31Å; G903-E905 PolarHBondContact O-N 3.17Å; E905-Y907 PolarHBondContact O-N 2.91Å; E905-Y907 VanDerWaalsContact O-N 3.08Å; E905-C908 WeakPolarHBondContact O-CA 3.34Å; E905-C908 PolarHBondContact O-N 2.78Å
906	N	84.8	Confident	85	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-26.7	177.7	-90.5	-83	0	0	0	112.9	S30 V775 S846 A902 G903	S30-N906 WeakPolarHBondContact CB-O 3.49Å; S30-N906 PolarHBondContact OG-O 3.43Å; V775-N906 HydrophobicContact CG2-CB 3.74Å; S846-N906 VanDerWaalsContact CB-OD1 3.29Å; S846-N906 WeakPolarHBondContact CB-OD1 3.39Å; S846-N906 PolarHBondContact OG-OD1 3.04Å; A902-N906 WeakPolarHBondContact O-CB 3.35Å; A902-N906 PolarHBondContact O-N 3.19Å; A902-N906 VanDerWaalsContact O-N 3.16Å; A902-N906 PolarHBondContact O-ND2 2.92Å; G903-N906 PolarHBondContact O-N 2.75Å
907	Y	84.3	Confident	84.3	Confident	79 Å²	79	47.7 Å²	47.7	31%	0.31	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14	175.7	-66.3	-68.7	0	0	0	114	G770 L771 V775 G903 L904 E905 I909	G770-Y907 PolarHBondContact O-OH 2.8Å; L771-Y907 WeakPolarHBondContact CA-OH 3.26Å; L771-Y907 WeakPolarHBondContact CD2-OH 3.47Å; V775-Y907 HydrophobicContact CG2-CE2 4.49Å; G903-Y907 WeakPolarHBondContact O-CD2 3.43Å; G903-Y907 PolarHBondContact O-N 2.86Å; L904-Y907 PolarHBondContact O-N 2.89Å; E905-Y907 PolarHBondContact O-N 2.91Å; E905-Y907 VanDerWaalsContact O-N 3.08Å; Y907-I909 PolarHBondContact O-N 2.69Å; Y907-I909 VanDerWaalsContact O-N 3.15Å
908	C	80.4	Confident	83.5	Confident	42 Å²	42	48.8 Å²	48.8	28%	0.284	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.9	-177.4	-56.6	0	0	0	0	114.3	C28 L904 E905	C28-C908 HydrophobicContact CB-CB 3.61Å; C28-C908 WeakPolarHBondContact CB-SG 3.34Å; C28-C908 WeakPolarHBondContact SG-CB 3.21Å; C28-C908 CovalentContact SG-SG 2.02Å; C28-C908 PolarHBondContact SG-SG 3.15Å; L904-C908 PolarHBondContact O-N 3.1Å; E905-C908 WeakPolarHBondContact O-CA 3.34Å; E905-C908 PolarHBondContact O-N 2.78Å
909	I	79.8	Confident	82.7	Confident	119 Å²	119	52.1 Å²	52.1	61%	0.61	27%	0.269	S	S	*	.	S	Bend	trans	-78.8	-36.1	173.6	-61.8	167.6	0	0	0	109.5	L904 Y907	L904-I909 HydrophobicContact CB-CB 4.32Å; L904-I909 HydrophobicContact CD2-CB 4.1Å; L904-I909 HydrophobicContact CD2-CD1 3.55Å; L904-I909 HydrophobicContact CD2-CG1 4.42Å; L904-I909 HydrophobicContact CD2-CG2 4.02Å; L904-I909 WeakPolarHBondContact O-CB 3.47Å; L904-I909 PolarHBondContact O-N 3.18Å; Y907-I909 PolarHBondContact O-N 2.69Å; Y907-I909 VanDerWaalsContact O-N 3.15Å
910	I	81.1	Confident	81.9	Confident	61 Å²	61	53.2 Å²	53.2	31%	0.313	28%	0.275	S	S	.	.	S	Bend	trans	-110.3	143.6	170.9	-61.7	174.6	0	0	0	107.9	L901 L904 G912	L901-I910 HydrophobicContact CD2-CD1 3.86Å; L904-I910 HydrophobicContact CB-CD1 3.7Å; L904-I910 HydrophobicContact CB-CG1 3.96Å; L904-I910 HydrophobicContact CD1-CD1 3.69Å; L904-I910 HydrophobicContact CD1-CG1 4.4Å; L904-I910 HydrophobicContact CG-CD1 4.36Å; L904-I910 PolarHBondContact O-N 3.3Å; I910-G912 PolarHBondContact O-N 3.21Å
911	E	69.8	Low	81	Confident	159 Å²	159	51 Å²	51	74%	0.743	26%	0.263	S	S	*	.			trans	-72.1	119.9	172.4	-67	-176.1	170.2	0	0	109.9
912	G	66.5	Low	79.9	Confident	14 Å²	14	51.3 Å²	51.3	14%	0.144	26%	0.264	C	S	.	.			trans	-89.5	-153.4	171.9	0	0	0	0	0	112.7	I910	I910-G912 PolarHBondContact O-N 3.21Å
913	F	57.2	Low	79	Confident	50 Å²	50	55.7 Å²	55.7	22%	0.219	29%	0.286	C	S	.	.			trans	-79.6	0	171.1	-67	-75.5	0	0	0	112.5	L18 Y201 G848 F849 T852	L18-F913 WeakPolarHBondContact CB-OXT 3.49Å; L18-F913 VanDerWaalsContact O-OXT 3.09Å; Y201-F913 HydrophobicContact CD2-CZ 4.43Å; Y201-F913 AromaticContact CE2-CE1 3.84Å; Y201-F913 HydrophobicContact CE2-CE1 3.84Å; Y201-F913 AromaticContact CE2-CE2 3.98Å; Y201-F913 HydrophobicContact CE2-CE2 3.98Å; Y201-F913 AromaticContact CE2-CZ 3.48Å; Y201-F913 HydrophobicContact CE2-CZ 3.48Å; Y201-F913 VanDerWaalsContact CE2-CZ 3.48Å; G848-F913 WeakPolarHBondContact O-CE2 3.27Å; F849-F913 HydrophobicContact CB-CD2 4.06Å; F849-F913 HydrophobicContact CB-CE2 4.3Å; F849-F913 VanDerWaalsContact N-CD2 3.35Å; T852-F913 HydrophobicContact CG2-CZ 4.29Å; T852-F913 WeakPolarHBondContact OG1-CE2 3.42Å; T852-F913 WeakPolarHBondContact OG1-CZ 3.06Å

Retrieved 913 of 913 residues in 813.5 ms (Link to these results)

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