A0A096MQV3_PAPAN Loading...

Inner nuclear membrane protein Man1

Can function as a specific repressor of TGF-beta, activin, and BMP signaling through its interaction with the R-SMAD proteins. Antagonizes TGF-beta-induced cell proliferation arrest.

AlphaFold DB , UniProt , Accession A0A096MQV3, Species PAPAN (Papio anubis, Olive baboon), Gene LEMD3, Length 911 aa.

						>A0A096MQV3_PAPAN|A0A096MQV3|LEMD3
MAAAAASAPQQLSDEELFSQLRRYGLSPGPVTESTRPVYLKKLKKLREEEQQQHRSGGRGNKTRNSNNNNTAAATVVAAGPAAASAAGMGVRPVAGDLSYLRTPGGLCRISASGSENLLGGPGGASAAPTAGSKVLLGFSSDESDVEASPRDQAGGGGRKDRASLQYRGLKAPPAPLAASEVTNSNSAERRKPHSWWGARRPAGPDLQTLPGKDGAVEDEEGEGEDGEERDPEAEEPLWASRTVNGSRLVPYSCRENYSDSEEEDDDDVASSRQVLKDDSLSRHRPRRTHSKPLSPLTAKSAGGRLETSVQGGGGHAMNDRAAAAGSLDRSRNLEEAATAEQGGGCDQVDSSPVPRYRVNAKKLTPLLPPPLTDMDSTLDSSTGSLLKTNNHIGGGAFNVDSPRIYSNSLPPSAAVAAASSLRINHANHTGSNHTYLKNTYNKPKLSEPEEELLQQFKREEVSPTGSFSAHYLSMFLLTAACLFFLILGLTYLGMRGTGVSEDGELSIENPFGETFGKIQESEKNLMMNTLYKLHDRLAQLAGDHECGSSSQRTLSVQEAAAYLKDLGPEYEGIFNTSLQWILENGKDVGIRCVGFGPEEELTNITDVQFLQSTRPLMSFWCRFRRAFVTVTHRLLLLCLGVVMVCVVLRYMKYRWTKEEEETRQMYDMVVKIIDVLRSHNEACQENKDLQPYMPIPHVRDSLIQPHDRKKMKKVWDRAVDFLAANESRVRTETRRIGGADFLVWRWIQPSASCDKILVIPSKVWQGQAFHLDRRNSPPNSLTPCLKIRNMFDPVMEIGDQWHLAIQEAILEKCSDNDGIVHIAVDKNSREGCVYVKCLSPEYAGKAFKALHGSWFDGKLVTVKYLRLDRYHHRFPQALTSNTPLKPSNKHMNSMSHLRLRTGLTNSQGSS
					

Structure Viewer

Loading PAE data...

(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	31.5	Very low	35.6	Very low	248 Å²	248	130.6 Å²	130.6	100%	1.222	85%	0.854	S	S	*	*				0	136.3	0	-61.9	171.3	179.2	0	0	107.6
2	A	32.4	Very low	38.4	Very low	105 Å²	105	122.4 Å²	122.4	87%	0.868	80%	0.797	S	S	*	*			cis	-141.4	159.4	-13	0	0	0	0	0	108.3
3	A	35.1	Very low	41.3	Very low	97 Å²	97	116.9 Å²	116.9	80%	0.802	76%	0.763	S	S	*	*			trans	-104.8	157.5	-170.1	0	0	0	0	0	113.5
4	A	39.1	Very low	43.9	Very low	102 Å²	102	113.3 Å²	113.3	84%	0.843	73%	0.733	S	S	*	*			trans	29.9	112.7	153.2	0	0	0	0	0	119.5
5	A	28.7	Very low	46.1	Very low	102 Å²	102	115.1 Å²	115.1	84%	0.843	73%	0.728	S	S	*	*			trans	-120.8	104.5	149.6	0	0	0	0	0	108.4	S7	A5-S7 PolarHBondContact O-N 3.27Å
6	A	35.4	Very low	48.3	Very low	106 Å²	106	113.6 Å²	113.6	88%	0.876	71%	0.709	S	S	*	*			trans	-79.5	113.8	173.1	0	0	0	0	0	108.9
7	S	28.6	Very low	50.3	Low	115 Å²	115	106.9 Å²	106.9	80%	0.804	67%	0.668	S	S	*	*			trans	-78.9	126.8	176.4	43.6	0	0	0	0	111.2	A5	A5-S7 PolarHBondContact O-N 3.27Å
8	A	29.4	Very low	52	Low	78 Å²	78	103.6 Å²	103.6	65%	0.645	64%	0.642	S	S	*	*			trans	-59.2	154.1	164.3	0	0	0	0	0	110.4	Q10	A8-Q10 PolarHBondContact O-N 3.29Å
9	P	38.5	Very low	53.4	Low	125 Å²	125	101.4 Å²	101.4	81%	0.812	63%	0.631	S	S	*	*			trans	-61.4	110.4	176.6	25.7	-34.2	0	0	0	110.1	Q11	P9-Q11 PolarHBondContact O-N 3.21Å
10	Q	40.6	Very low	54.9	Low	176 Å²	176	98.8 Å²	98.8	82%	0.822	61%	0.611	S	S	*	*			trans	-57.7	122.5	175.7	-69.9	173.5	-52.9	0	0	109.4	A8 L12	A8-Q10 PolarHBondContact O-N 3.29Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.75Å
11	Q	52.5	Low	56.2	Low	183 Å²	183	94.2 Å²	94.2	86%	0.855	58%	0.582	S	S	*	*			trans	-71.7	88	173.9	-70	-179.1	-17.3	0	0	109	P9 S13	P9-Q11 PolarHBondContact O-N 3.21Å; Q11-S13 PolarHBondContact O-N 3.38Å
12	L	68.9	Low	58.6	Low	32 Å²	32	89.8 Å²	89.8	17%	0.168	55%	0.552	C	S	.	*			trans	-52.7	127.9	172.7	-68.5	168.8	0	0	0	109.6	Q10 E16 R36 L40 L43	Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.75Å; L12-E16 HydrophobicContact CD2-CB 4.36Å; L12-R36 PolarHBondContact O-NH2 3.25Å; L12-L40 HydrophobicContact CD1-CD2 4.14Å; L12-L43 HydrophobicContact CD1-CD2 3.64Å
13	S	75.7	Confident	60.8	Low	51 Å²	51	95 Å²	95	36%	0.357	55%	0.549	S	S	.	.			trans	-65.5	157.4	171.2	66.1	0	0	0	0	110.3	Q11 E15 E16 L17	Q11-S13 PolarHBondContact O-N 3.38Å; S13-E15 PolarHBondContact O-N 3.04Å; S13-E16 VanDerWaalsContact CB-OE2 3.32Å; S13-E16 WeakPolarHBondContact CB-OE2 3.49Å; S13-E16 PolarHBondContact N-OE2 3.36Å; S13-E16 PolarHBondContact O-N 3.17Å; S13-E16 VanDerWaalsContact O-N 3.14Å; S13-E16 VanDerWaalsContact OG-CD 3.26Å; S13-E16 VanDerWaalsContact OG-CG 3.24Å; S13-E16 WeakPolarHBondContact OG-CG 3.36Å; S13-E16 PolarHBondContact OG-N 3.46Å; S13-E16 PolarHBondContact OG-OE2 3.18Å; S13-L17 PolarHBondContact O-N 2.63Å
14	D	78.4	Confident	62.9	Low	66 Å²	66	93.4 Å²	93.4	35%	0.353	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-26.2	-173.7	-65.1	-46.3	0	0	0	112.8	L17 F18 V31 R36	D14-L17 PolarHBondContact O-N 2.67Å; D14-F18 VanDerWaalsContact O-CB 3.26Å; D14-F18 WeakPolarHBondContact O-CB 3.45Å; D14-F18 PolarHBondContact O-N 3.35Å; D14-V31 HydrophobicContact CB-CB 4.43Å; D14-V31 HydrophobicContact CB-CG1 4.21Å; D14-R36 VanDerWaalsContact OD1-CD 3.25Å; D14-R36 WeakPolarHBondContact OD1-CD 3.38Å; D14-R36 WeakPolarHBondContact OD1-CG 3.33Å; D14-R36 IonicContact OD1-CZ 2.65Å; D14-R36 IonicContact OD1-NE 2.76Å; D14-R36 PolarHBondContact OD1-NE 3.46Å; D14-R36 IonicContact OD1-NH2 3.64Å; D14-R36 IonicContact OD2-CZ 3.14Å; D14-R36 IonicContact OD2-NE 3.8Å
15	E	76.8	Confident	64.7	Low	141 Å²	141	91.8 Å²	91.8	66%	0.659	52%	0.517	S	S	*	.	H	α-helix	trans	-72.1	-37.3	172.4	-163.1	60.3	-142.5	0	0	112.2	S13 F18 S19	S13-E15 PolarHBondContact O-N 3.04Å; E15-F18 PolarHBondContact O-N 2.8Å; E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 2.94Å; E15-S19 PolarHBondContact O-OG 3.17Å
16	E	81.1	Confident	66.9	Low	90 Å²	90	89.4 Å²	89.4	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-38.3	171.7	-71	168.5	120	0	0	111.8	L12 S13 S19 Q20	L12-E16 HydrophobicContact CD2-CB 4.36Å; S13-E16 VanDerWaalsContact CB-OE2 3.32Å; S13-E16 WeakPolarHBondContact CB-OE2 3.49Å; S13-E16 PolarHBondContact N-OE2 3.36Å; S13-E16 PolarHBondContact O-N 3.17Å; S13-E16 VanDerWaalsContact O-N 3.14Å; S13-E16 VanDerWaalsContact OG-CD 3.26Å; S13-E16 VanDerWaalsContact OG-CG 3.24Å; S13-E16 WeakPolarHBondContact OG-CG 3.36Å; S13-E16 PolarHBondContact OG-N 3.46Å; S13-E16 PolarHBondContact OG-OE2 3.18Å; E16-S19 WeakPolarHBondContact CA-OG 3.42Å; E16-S19 PolarHBondContact O-OG 3.46Å; E16-Q20 WeakPolarHBondContact O-CB 3.5Å; E16-Q20 VanDerWaalsContact O-CG 3.25Å; E16-Q20 WeakPolarHBondContact O-CG 3.32Å; E16-Q20 PolarHBondContact O-N 3.07Å
17	L	81.8	Confident	68.3	Low	0 Å²	0	89.7 Å²	89.7	0%	0	49%	0.485	C	S	.	.	H	α-helix	trans	-65	-43.4	175	-179	56.8	0	0	0	111.3	S13 D14 L21 R36 L40 L43	S13-L17 PolarHBondContact O-N 2.63Å; D14-L17 PolarHBondContact O-N 2.67Å; L17-L21 HydrophobicContact CD1-CD1 4.09Å; L17-L21 HydrophobicContact CD1-CG 4.49Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.44Å; L17-R36 HydrophobicContact CD2-CG 4.13Å; L17-L40 HydrophobicContact CD1-CD2 3.89Å; L17-L40 HydrophobicContact CD1-CG 4.22Å; L17-L40 HydrophobicContact CD2-CD2 4.15Å; L17-L40 HydrophobicContact CD2-CG 3.92Å; L17-L43 HydrophobicContact CD1-CB 4.23Å; L17-L43 HydrophobicContact CD1-CD2 4.01Å
18	F	80.8	Confident	70.4	Confident	47 Å²	47	85 Å²	85	21%	0.206	45%	0.452	C	S	.	.	H	α-helix	trans	-65.8	-46.7	178.3	-165.9	-99	0	0	0	112.1	D14 E15 L21 R22 P28 V31	D14-F18 VanDerWaalsContact O-CB 3.26Å; D14-F18 WeakPolarHBondContact O-CB 3.45Å; D14-F18 PolarHBondContact O-N 3.35Å; E15-F18 PolarHBondContact O-N 2.8Å; F18-L21 PolarHBondContact O-N 3.5Å; F18-R22 PolarHBondContact O-N 3.35Å; F18-P28 HydrophobicContact CD2-CB 4.35Å; F18-P28 HydrophobicContact CD2-CG 3.54Å; F18-P28 HydrophobicContact CE2-CB 4.39Å; F18-P28 HydrophobicContact CE2-CG 3.72Å; F18-P28 WeakPolarHBondContact CE2-O 3.43Å; F18-P28 HydrophobicContact CG-CG 4.27Å; F18-V31 HydrophobicContact CD2-CG2 4.49Å
19	S	79.4	Confident	72.4	Confident	62 Å²	62	82.9 Å²	82.9	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-68.4	-39.5	178.9	55.7	0	0	0	0	113.2	E15 E16 R22 R23	E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 2.94Å; E15-S19 PolarHBondContact O-OG 3.17Å; E16-S19 WeakPolarHBondContact CA-OG 3.42Å; E16-S19 PolarHBondContact O-OG 3.46Å; S19-R22 PolarHBondContact O-N 3.19Å; S19-R23 PolarHBondContact O-N 3.11Å
20	Q	82.5	Confident	73.9	Confident	50 Å²	50	82.2 Å²	82.2	23%	0.234	43%	0.433	C	S	.	.	H	α-helix	trans	-66.6	-38.9	173.5	-69.7	-179.9	38.5	0	0	112.1	E16 R23 Y24 L43	E16-Q20 WeakPolarHBondContact O-CB 3.5Å; E16-Q20 VanDerWaalsContact O-CG 3.25Å; E16-Q20 WeakPolarHBondContact O-CG 3.32Å; E16-Q20 PolarHBondContact O-N 3.07Å; Q20-R23 WeakPolarHBondContact O-CB 3.37Å; Q20-R23 PolarHBondContact O-N 3.43Å; Q20-Y24 VanDerWaalsContact O-CD2 3.23Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.48Å; Q20-Y24 PolarHBondContact O-N 3.41Å; Q20-L43 HydrophobicContact CB-CD1 3.57Å
21	L	83.8	Confident	75.5	Confident	2 Å²	2	76 Å²	76	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-37.5	175.1	-76.8	170.1	0	0	0	112.5	L17 F18 R23 Y24 G25 L26 P28 Y39 L43 L46	L17-L21 HydrophobicContact CD1-CD1 4.09Å; L17-L21 HydrophobicContact CD1-CG 4.49Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.44Å; F18-L21 PolarHBondContact O-N 3.5Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.28Å; L21-Y24 CarbonylContact O-C 3.57Å; L21-Y24 PolarHBondContact O-N 3.27Å; L21-G25 PolarHBondContact O-N 2.91Å; L21-L26 CarbonylContact C-O 3.53Å; L21-L26 HydrophobicContact CD2-CD1 4.08Å; L21-L26 PolarHBondContact O-N 3.33Å; L21-L26 VanDerWaalsContact O-N 3.07Å; L21-P28 HydrophobicContact CB-CG 4.13Å; L21-P28 HydrophobicContact CD1-CB 4.43Å; L21-P28 HydrophobicContact CD1-CG 4.3Å; L21-Y39 HydrophobicContact CD1-CD1 3.76Å; L21-Y39 HydrophobicContact CD1-CG 3.97Å; L21-L43 HydrophobicContact CD2-CB 4.2Å; L21-L43 HydrophobicContact CD2-CD1 4.25Å; L21-L43 HydrophobicContact CG-CD1 4.24Å; L21-L46 HydrophobicContact CD2-CD1 4.13Å
22	R	80.1	Confident	76.7	Confident	156 Å²	156	70.4 Å²	70.4	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-37.1	170.3	-77.7	-169.9	178.9	-147.6	3.3	112.9	F18 S19 Y24 G25 L26	F18-R22 PolarHBondContact O-N 3.35Å; S19-R22 PolarHBondContact O-N 3.19Å; R22-Y24 VanDerWaalsContact C-N 3.25Å; R22-Y24 PolarHBondContact O-N 3.47Å; R22-G25 PolarHBondContact O-N 3.22Å; R22-L26 VanDerWaalsContact CA-O 3.28Å; R22-L26 WeakPolarHBondContact CA-O 3.35Å; R22-L26 PolarHBondContact N-O 3.43Å
23	R	79.2	Confident	76.8	Confident	213 Å²	213	77.8 Å²	77.8	80%	0.804	42%	0.419	S	S	*	.	H	α-helix	trans	-62.5	-31.7	175.8	-174	176.4	173.5	175.2	-2.8	112.5	S19 Q20 L21 G25	S19-R23 PolarHBondContact O-N 3.11Å; Q20-R23 WeakPolarHBondContact O-CB 3.37Å; Q20-R23 PolarHBondContact O-N 3.43Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.28Å; R23-G25 VanDerWaalsContact C-N 3.27Å; R23-G25 PolarHBondContact O-N 2.95Å
24	Y	80.1	Confident	76.7	Confident	64 Å²	64	79.8 Å²	79.8	25%	0.251	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	22	170.7	-64.4	-70.2	0	0	0	113.6	Q20 L21 R22 L26 L43 L46 E50	Q20-Y24 VanDerWaalsContact O-CD2 3.23Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.48Å; Q20-Y24 PolarHBondContact O-N 3.41Å; L21-Y24 CarbonylContact O-C 3.57Å; L21-Y24 PolarHBondContact O-N 3.27Å; R22-Y24 VanDerWaalsContact C-N 3.25Å; R22-Y24 PolarHBondContact O-N 3.47Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 2.95Å; Y24-L43 HydrophobicContact CD2-CD1 4.33Å; Y24-L43 HydrophobicContact CE2-CD1 4.26Å; Y24-L46 HydrophobicContact CD1-CB 4.25Å; Y24-L46 HydrophobicContact CD2-CB 4.26Å; Y24-L46 HydrophobicContact CD2-CD1 4.45Å; Y24-L46 HydrophobicContact CG-CB 4.1Å; Y24-L46 HydrophobicContact CG-CD1 4.29Å; Y24-E50 WeakPolarHBondContact CE1-OE2 3.44Å; Y24-E50 PolarHBondContact OH-OE2 3.44Å
25	G	76.4	Confident	76.8	Confident	69 Å²	69	78.7 Å²	78.7	71%	0.711	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	10	172	0	0	0	0	0	115.9	L21 R22 R23	L21-G25 PolarHBondContact O-N 2.91Å; R22-G25 PolarHBondContact O-N 3.22Å; R23-G25 VanDerWaalsContact C-N 3.27Å; R23-G25 PolarHBondContact O-N 2.95Å
26	L	75.9	Confident	77.1	Confident	52 Å²	52	75.9 Å²	75.9	27%	0.272	41%	0.412	S	S	.	.			trans	-98.8	136.7	178.3	-67.4	170.8	0	0	0	111.6	L21 R22 Y24 P28 K42 L46	L21-L26 CarbonylContact C-O 3.53Å; L21-L26 HydrophobicContact CD2-CD1 4.08Å; L21-L26 PolarHBondContact O-N 3.33Å; L21-L26 VanDerWaalsContact O-N 3.07Å; R22-L26 VanDerWaalsContact CA-O 3.28Å; R22-L26 WeakPolarHBondContact CA-O 3.35Å; R22-L26 PolarHBondContact N-O 3.43Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 2.95Å; L26-P28 VanDerWaalsContact C-CD 3.43Å; L26-P28 WeakPolarHBondContact O-CD 3.29Å; L26-K42 HydrophobicContact CD1-CD 3.88Å; L26-K42 HydrophobicContact CD1-CG 4.34Å; L26-L46 HydrophobicContact CD1-CD1 3.71Å
27	S	64.5	Low	77.1	Confident	112 Å²	112	75.2 Å²	75.2	78%	0.783	42%	0.415	S	S	*	.			trans	-99.5	84.8	167.9	41.3	0	0	0	0	110.4
28	P	71.8	Confident	77.2	Confident	17 Å²	17	79.7 Å²	79.7	11%	0.11	44%	0.443	C	S	.	.			trans	-62.7	151.6	173.5	26.2	-33.9	0	0	0	111.8	F18 L21 L26 Y39	F18-P28 HydrophobicContact CD2-CB 4.35Å; F18-P28 HydrophobicContact CD2-CG 3.54Å; F18-P28 HydrophobicContact CE2-CB 4.39Å; F18-P28 HydrophobicContact CE2-CG 3.72Å; F18-P28 WeakPolarHBondContact CE2-O 3.43Å; F18-P28 HydrophobicContact CG-CG 4.27Å; L21-P28 HydrophobicContact CB-CG 4.13Å; L21-P28 HydrophobicContact CD1-CB 4.43Å; L21-P28 HydrophobicContact CD1-CG 4.3Å; L26-P28 VanDerWaalsContact C-CD 3.43Å; L26-P28 WeakPolarHBondContact O-CD 3.29Å; P28-Y39 HydrophobicContact CB-CD1 4.04Å; P28-Y39 HydrophobicContact CB-CE1 3.46Å; P28-Y39 VanDerWaalsContact CB-CE1 3.46Å; P28-Y39 HydrophobicContact CB-CE2 4.29Å
29	G	72.7	Confident	77.4	Confident	32 Å²	32	79.7 Å²	79.7	33%	0.33	44%	0.442	S	S	.	.			trans	-76.5	-170.2	169	0	0	0	0	0	112.2	V31 Y39	G29-V31 PolarHBondContact O-N 2.91Å; G29-Y39 PolarHBondContact N-OH 3.27Å
30	P	68.5	Low	77.6	Confident	112 Å²	112	79.9 Å²	79.9	73%	0.727	44%	0.437	S	S	*	.			trans	-57.3	133	176.8	25.2	-34.1	0	0	0	111
31	V	74.3	Confident	77.9	Confident	46 Å²	46	85.7 Å²	85.7	28%	0.279	46%	0.462	S	S	.	.			trans	-80.3	120.9	176	-176	0	0	0	0	108.6	D14 F18 G29 R36 Y39	D14-V31 HydrophobicContact CB-CB 4.43Å; D14-V31 HydrophobicContact CB-CG1 4.21Å; F18-V31 HydrophobicContact CD2-CG2 4.49Å; G29-V31 PolarHBondContact O-N 2.91Å; V31-R36 HydrophobicContact CG1-CB 3.92Å; V31-R36 HydrophobicContact CG1-CG 4.15Å; V31-Y39 HydrophobicContact CG2-CD2 4.15Å; V31-Y39 HydrophobicContact CG2-CE2 4.23Å
32	T	77.8	Confident	77.9	Confident	64 Å²	64	90.5 Å²	90.5	39%	0.393	48%	0.483	S	S	.	.			trans	-118.9	161	174.1	58.9	0	0	0	0	108.5	S34 T35 R36	T32-S34 PolarHBondContact O-N 3.23Å; T32-S34 VanDerWaalsContact O-N 3.09Å; T32-S34 PolarHBondContact OG1-OG 3.2Å; T32-T35 PolarHBondContact N-OG1 2.99Å; T32-T35 PolarHBondContact O-N 2.95Å; T32-T35 PolarHBondContact O-OG1 3.21Å; T32-T35 WeakPolarHBondContact OG1-CG2 3.24Å; T32-T35 PolarHBondContact OG1-N 3.12Å; T32-T35 PolarHBondContact OG1-OG1 2.84Å; T32-R36 WeakPolarHBondContact O-CB 3.23Å; T32-R36 PolarHBondContact O-N 3.22Å
33	E	70.4	Confident	78.2	Confident	188 Å²	188	83.4 Å²	83.4	88%	0.879	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-36.9	177.6	-60.8	179	151.6	0	0	112.5	P37	E33-P37 WeakPolarHBondContact O-CD 3.44Å
34	S	74.7	Confident	78.7	Confident	93 Å²	93	79.5 Å²	79.5	65%	0.65	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.8	176.1	52.9	0	0	0	0	115.3	T32	T32-S34 PolarHBondContact O-N 3.23Å; T32-S34 VanDerWaalsContact O-N 3.09Å; T32-S34 PolarHBondContact OG1-OG 3.2Å
35	T	81.1	Confident	79.1	Confident	43 Å²	43	81.9 Å²	81.9	26%	0.264	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-26	-177.5	54.8	0	0	0	0	113.3	T32 V38 Y39	T32-T35 PolarHBondContact N-OG1 2.99Å; T32-T35 PolarHBondContact O-N 2.95Å; T32-T35 PolarHBondContact O-OG1 3.21Å; T32-T35 WeakPolarHBondContact OG1-CG2 3.24Å; T32-T35 PolarHBondContact OG1-N 3.12Å; T32-T35 PolarHBondContact OG1-OG1 2.84Å; T35-V38 WeakPolarHBondContact O-CB 3.49Å; T35-V38 PolarHBondContact O-N 2.91Å; T35-Y39 WeakPolarHBondContact O-CD2 3.4Å; T35-Y39 PolarHBondContact O-N 2.95Å
36	R	82.2	Confident	79.4	Confident	82 Å²	82	80.3 Å²	80.3	31%	0.309	43%	0.432	S	S	.	.	H	α-helix	trans	-45.9	-49.8	173.9	-165.8	-179	-168.8	-153.2	-0.6	114.3	L12 D14 L17 V31 T32 V38 Y39 L40	L12-R36 PolarHBondContact O-NH2 3.25Å; D14-R36 VanDerWaalsContact OD1-CD 3.25Å; D14-R36 WeakPolarHBondContact OD1-CD 3.38Å; D14-R36 WeakPolarHBondContact OD1-CG 3.33Å; D14-R36 IonicContact OD1-CZ 2.65Å; D14-R36 IonicContact OD1-NE 2.76Å; D14-R36 PolarHBondContact OD1-NE 3.46Å; D14-R36 IonicContact OD1-NH2 3.64Å; D14-R36 IonicContact OD2-CZ 3.14Å; D14-R36 IonicContact OD2-NE 3.8Å; L17-R36 HydrophobicContact CD2-CG 4.13Å; V31-R36 HydrophobicContact CG1-CB 3.92Å; V31-R36 HydrophobicContact CG1-CG 4.15Å; T32-R36 WeakPolarHBondContact O-CB 3.23Å; T32-R36 PolarHBondContact O-N 3.22Å; R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 2.96Å; R36-Y39 PolarHBondContact O-N 3.22Å; R36-L40 HydrophobicContact CG-CD1 4.22Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.87Å
37	P	81.4	Confident	79.9	Confident	75 Å²	75	83 Å²	83	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-66.8	-31.2	178.8	26	-35.1	0	0	0	113.3	E33 K41	E33-P37 WeakPolarHBondContact O-CD 3.44Å; P37-K41 WeakPolarHBondContact O-CB 3.36Å; P37-K41 PolarHBondContact O-N 3.33Å
38	V	84.1	Confident	80.8	Confident	95 Å²	95	81.9 Å²	81.9	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-68	-43.9	176.1	-174.7	0	0	0	0	110.2	T35 R36 K41 K42	T35-V38 WeakPolarHBondContact O-CB 3.49Å; T35-V38 PolarHBondContact O-N 2.91Å; R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 2.96Å; V38-K41 PolarHBondContact O-N 2.96Å; V38-K42 WeakPolarHBondContact O-CB 3.3Å; V38-K42 PolarHBondContact O-N 2.93Å
39	Y	83.8	Confident	81.2	Confident	46 Å²	46	84.4 Å²	84.4	18%	0.18	43%	0.431	C	S	.	.	H	α-helix	trans	-64.3	-42.9	175.9	-72	-46.5	0	0	0	112.5	L21 P28 G29 V31 T35 R36 K41 K42 L43	L21-Y39 HydrophobicContact CD1-CD1 3.76Å; L21-Y39 HydrophobicContact CD1-CG 3.97Å; P28-Y39 HydrophobicContact CB-CD1 4.04Å; P28-Y39 HydrophobicContact CB-CE1 3.46Å; P28-Y39 VanDerWaalsContact CB-CE1 3.46Å; P28-Y39 HydrophobicContact CB-CE2 4.29Å; G29-Y39 PolarHBondContact N-OH 3.27Å; V31-Y39 HydrophobicContact CG2-CD2 4.15Å; V31-Y39 HydrophobicContact CG2-CE2 4.23Å; T35-Y39 WeakPolarHBondContact O-CD2 3.4Å; T35-Y39 PolarHBondContact O-N 2.95Å; R36-Y39 PolarHBondContact O-N 3.22Å; Y39-K41 PolarHBondContact O-N 3.48Å; Y39-K42 PolarHBondContact O-N 3.29Å; Y39-L43 WeakPolarHBondContact O-CB 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å
40	L	85.4	Confident	81.3	Confident	66 Å²	66	86.3 Å²	86.3	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-42.8	173.8	-73.8	165	0	0	0	112.4	L12 L17 R36 K42 L43 K44	L12-L40 HydrophobicContact CD1-CD2 4.14Å; L17-L40 HydrophobicContact CD1-CD2 3.89Å; L17-L40 HydrophobicContact CD1-CG 4.22Å; L17-L40 HydrophobicContact CD2-CD2 4.15Å; L17-L40 HydrophobicContact CD2-CG 3.92Å; R36-L40 HydrophobicContact CG-CD1 4.22Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.87Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 3.46Å; L40-L43 PolarHBondContact O-N 2.6Å; L40-K44 PolarHBondContact O-N 2.93Å
41	K	87.3	Confident	81.6	Confident	173 Å²	173	87.5 Å²	87.5	75%	0.752	43%	0.427	S	S	*	.	H	α-helix	trans	-65.7	-37.1	176.7	-168.6	171.8	-177.2	175.7	0	112	P37 V38 Y39 K45	P37-K41 WeakPolarHBondContact O-CB 3.36Å; P37-K41 PolarHBondContact O-N 3.33Å; V38-K41 PolarHBondContact O-N 2.96Å; Y39-K41 PolarHBondContact O-N 3.48Å; K41-K45 PolarHBondContact O-N 2.83Å
42	K	85.1	Confident	81.2	Confident	103 Å²	103	91.9 Å²	91.9	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-42.2	176	-161.8	173.7	-171.8	-176.1	0	112	L26 V38 Y39 L40 K44 K45 L46	L26-K42 HydrophobicContact CD1-CD 3.88Å; L26-K42 HydrophobicContact CD1-CG 4.34Å; V38-K42 WeakPolarHBondContact O-CB 3.3Å; V38-K42 PolarHBondContact O-N 2.93Å; Y39-K42 PolarHBondContact O-N 3.29Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 3.46Å; K42-K44 PolarHBondContact O-N 2.9Å; K42-K45 PolarHBondContact O-N 3.29Å; K42-L46 HydrophobicContact CG-CD1 4.42Å; K42-L46 WeakPolarHBondContact O-CD1 3.22Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.12Å
43	L	86.4	Confident	80.2	Confident	6 Å²	6	95.5 Å²	95.5	3%	0.031	46%	0.457	C	S	.	.	H	α-helix	trans	-56.7	-47.1	173.5	-178.2	82.6	0	0	0	111.6	L12 L17 Q20 L21 Y24 Y39 L40 K45 L46 R47	L12-L43 HydrophobicContact CD1-CD2 3.64Å; L17-L43 HydrophobicContact CD1-CB 4.23Å; L17-L43 HydrophobicContact CD1-CD2 4.01Å; Q20-L43 HydrophobicContact CB-CD1 3.57Å; L21-L43 HydrophobicContact CD2-CB 4.2Å; L21-L43 HydrophobicContact CD2-CD1 4.25Å; L21-L43 HydrophobicContact CG-CD1 4.24Å; Y24-L43 HydrophobicContact CD2-CD1 4.33Å; Y24-L43 HydrophobicContact CE2-CD1 4.26Å; Y39-L43 WeakPolarHBondContact O-CB 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å; L40-L43 PolarHBondContact O-N 2.6Å; L43-K45 PolarHBondContact O-N 3.26Å; L43-L46 PolarHBondContact O-N 2.86Å; L43-R47 PolarHBondContact O-N 3.05Å
44	K	89.3	Confident	79.4	Confident	131 Å²	131	94 Å²	94	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-59.4	-45.8	178.8	-179.3	172.6	170.7	175.5	0	112	L40 K42 L46 R47 E48	L40-K44 PolarHBondContact O-N 2.93Å; K42-K44 PolarHBondContact O-N 2.9Å; K44-L46 PolarHBondContact O-N 3.35Å; K44-R47 PolarHBondContact O-N 3.3Å; K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 IonicContact NZ-OE1 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 3.35Å; K44-E48 VanDerWaalsContact O-N 3.08Å
45	K	88.8	Confident	78.5	Confident	115 Å²	115	100.7 Å²	100.7	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-43.6	178.9	-171.9	174.4	-174.3	-72	0	112.4	K41 K42 L43 R47 E48 E49	K41-K45 PolarHBondContact O-N 2.83Å; K42-K45 PolarHBondContact O-N 3.29Å; L43-K45 PolarHBondContact O-N 3.26Å; K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.25Å; K45-E48 PolarHBondContact O-N 2.84Å; K45-E49 IonicContact NZ-OE1 2.69Å; K45-E49 PolarHBondContact NZ-OE1 3.36Å; K45-E49 WeakPolarHBondContact O-CG 3.24Å; K45-E49 PolarHBondContact O-N 2.86Å
46	L	82.9	Confident	76.9	Confident	35 Å²	35	103 Å²	103	18%	0.183	48%	0.479	C	S	.	.	H	α-helix	trans	-64.2	-37.8	179.1	-68.6	159.8	0	0	0	112.3	L21 Y24 L26 K42 L43 K44 E49 E50	L21-L46 HydrophobicContact CD2-CD1 4.13Å; Y24-L46 HydrophobicContact CD1-CB 4.25Å; Y24-L46 HydrophobicContact CD2-CB 4.26Å; Y24-L46 HydrophobicContact CD2-CD1 4.45Å; Y24-L46 HydrophobicContact CG-CB 4.1Å; Y24-L46 HydrophobicContact CG-CD1 4.29Å; L26-L46 HydrophobicContact CD1-CD1 3.71Å; K42-L46 HydrophobicContact CG-CD1 4.42Å; K42-L46 WeakPolarHBondContact O-CD1 3.22Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.12Å; L43-L46 PolarHBondContact O-N 2.86Å; K44-L46 PolarHBondContact O-N 3.35Å; L46-E49 PolarHBondContact O-N 3.38Å; L46-E50 WeakPolarHBondContact O-CB 3.44Å; L46-E50 PolarHBondContact O-N 2.99Å
47	R	85.4	Confident	74.8	Confident	109 Å²	109	102.4 Å²	102.4	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-34.2	175.5	-166.4	-178.8	-64.5	170.6	-0.2	112.5	L43 K44 K45 Q51	L43-R47 PolarHBondContact O-N 3.05Å; K44-R47 PolarHBondContact O-N 3.3Å; K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.25Å; R47-Q51 WeakPolarHBondContact O-CG 3.24Å; R47-Q51 PolarHBondContact O-N 3.29Å
48	E	84.5	Confident	72.6	Confident	89 Å²	89	102.3 Å²	102.3	42%	0.416	51%	0.511	S	S	.	.	H	α-helix	trans	-70.5	-37.3	173.9	-71.2	169.1	171.8	0	0	111.5	K44 K45 Q51 Q52	K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 IonicContact NZ-OE1 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 3.35Å; K44-E48 VanDerWaalsContact O-N 3.08Å; K45-E48 PolarHBondContact O-N 2.84Å; E48-Q51 PolarHBondContact O-N 3.45Å; E48-Q52 WeakPolarHBondContact O-CG 3.46Å; E48-Q52 PolarHBondContact O-N 3.03Å; E48-Q52 VanDerWaalsContact O-N 3.07Å
49	E	80	Confident	70.4	Confident	69 Å²	69	109 Å²	109	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-42.8	174.2	-72.7	168.4	161.6	0	0	112.4	K45 L46 Q51 Q52 Q53	K45-E49 IonicContact NZ-OE1 2.69Å; K45-E49 PolarHBondContact NZ-OE1 3.36Å; K45-E49 WeakPolarHBondContact O-CG 3.24Å; K45-E49 PolarHBondContact O-N 2.86Å; L46-E49 PolarHBondContact O-N 3.38Å; E49-Q51 PolarHBondContact O-N 2.9Å; E49-Q52 PolarHBondContact O-N 3.13Å; E49-Q53 PolarHBondContact O-N 2.82Å
50	E	75.1	Confident	67.9	Low	73 Å²	73	110.5 Å²	110.5	34%	0.341	56%	0.556	S	S	.	*	H	α-helix	trans	-60	-42.6	174	-177.1	176.3	-144.5	0	0	111.8	Y24 L46 Q52 Q53 H54	Y24-E50 WeakPolarHBondContact CE1-OE2 3.44Å; Y24-E50 PolarHBondContact OH-OE2 3.44Å; L46-E50 WeakPolarHBondContact O-CB 3.44Å; L46-E50 PolarHBondContact O-N 2.99Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 2.8Å; E50-Q53 PolarHBondContact O-N 3Å; E50-H54 PolarHBondContact O-N 2.97Å
51	Q	73.8	Confident	65.5	Low	137 Å²	137	115.3 Å²	115.3	64%	0.64	58%	0.582	S	S	*	*	H	α-helix	trans	-65.4	-34.6	174.5	-77.4	-171.7	-16	0	0	113.1	R47 E48 E49 R55	R47-Q51 WeakPolarHBondContact O-CG 3.24Å; R47-Q51 PolarHBondContact O-N 3.29Å; E48-Q51 PolarHBondContact O-N 3.45Å; E49-Q51 PolarHBondContact O-N 2.9Å; Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 PolarHBondContact O-N 3.46Å
52	Q	65.4	Low	62.9	Low	137 Å²	137	116.9 Å²	116.9	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-68.8	-43.2	175.2	-72.9	175.6	13.9	0	0	111.6	E48 E49 E50 R55 S56	E48-Q52 WeakPolarHBondContact O-CG 3.46Å; E48-Q52 PolarHBondContact O-N 3.03Å; E48-Q52 VanDerWaalsContact O-N 3.07Å; E49-Q52 PolarHBondContact O-N 3.13Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 2.8Å; Q52-R55 PolarHBondContact O-N 2.95Å; Q52-R55 VanDerWaalsContact O-N 3.17Å; Q52-S56 PolarHBondContact O-N 2.89Å; Q52-S56 VanDerWaalsContact O-N 3.14Å
53	Q	58.1	Low	60.4	Low	141 Å²	141	118.3 Å²	118.3	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-61.7	-45.7	176.1	-72.8	-176.4	-9.3	0	0	112.4	E49 E50 R55 S56 G57	E49-Q53 PolarHBondContact O-N 2.82Å; E50-Q53 PolarHBondContact O-N 3Å; Q53-R55 PolarHBondContact O-N 3.35Å; Q53-S56 PolarHBondContact O-N 3.22Å; Q53-S56 PolarHBondContact O-OG 3.06Å; Q53-G57 PolarHBondContact O-N 2.92Å
54	H	53.3	Low	57.7	Low	157 Å²	157	129.6 Å²	129.6	73%	0.727	65%	0.648	S	S	*	*	H	α-helix	trans	-61	-30.2	175.5	-94.7	-74.7	0	0	0	113.1	E50	E50-H54 PolarHBondContact O-N 2.97Å
55	R	54.6	Low	54.8	Low	233 Å²	233	130.3 Å²	130.3	88%	0.879	66%	0.658	S	S	*	*	H	α-helix	trans	-79.6	-16.9	177.1	-153.4	170.6	-171.2	170.2	1.6	113.4	Q51 Q52 Q53	Q51-R55 WeakPolarHBondContact O-CB 3.48Å; Q51-R55 PolarHBondContact O-N 3.46Å; Q52-R55 PolarHBondContact O-N 2.95Å; Q52-R55 VanDerWaalsContact O-N 3.17Å; Q53-R55 PolarHBondContact O-N 3.35Å
56	S	47.9	Very low	52.1	Low	91 Å²	91	128.9 Å²	128.9	64%	0.636	66%	0.662	S	S	*	*	H	α-helix	trans	-94.3	-21.4	178.3	61.2	0	0	0	0	115	Q52 Q53 G58	Q52-S56 PolarHBondContact O-N 2.89Å; Q52-S56 VanDerWaalsContact O-N 3.14Å; Q53-S56 PolarHBondContact O-N 3.22Å; Q53-S56 PolarHBondContact O-OG 3.06Å; S56-G58 PolarHBondContact O-N 2.78Å
57	G	37.5	Very low	49.5	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	69%	0.687	S	S	*	*			trans	-67.8	6.4	-176.3	0	0	0	0	0	116.7	Q53 R59	Q53-G57 PolarHBondContact O-N 2.92Å; G57-R59 PolarHBondContact O-N 2.88Å
58	G	37.1	Very low	47.1	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	70%	0.697	S	S	*	*			trans	-86.9	26.4	-168.1	0	0	0	0	0	117.1	S56	S56-G58 PolarHBondContact O-N 2.78Å
59	R	36.4	Very low	44.6	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	71%	0.708	S	S	*	*			trans	-147.5	112.8	175.2	-120.9	177.3	-178.2	-179	0.3	112.1	G57	G57-R59 PolarHBondContact O-N 2.88Å
60	G	32.2	Very low	42.1	Very low	79 Å²	79	138.4 Å²	138.4	81%	0.814	73%	0.727	S	S	*	*			trans	-77.2	131.4	-179.8	0	0	0	0	0	113.1
61	N	33.7	Very low	39.9	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	75%	0.751	S	S	*	*			trans	-70	128.9	172	-80.7	-16.2	0	0	0	110.9
62	K	33.5	Very low	37.6	Very low	206 Å²	206	139.2 Å²	139.2	90%	0.896	76%	0.756	S	S	*	*			trans	-107.3	114.7	168	-170.9	169.7	-174.2	171.8	0	109.9
63	T	33.1	Very low	35.7	Very low	132 Å²	132	137.4 Å²	137.4	81%	0.81	76%	0.764	S	S	*	*			trans	-74.8	137.7	179.1	43.4	0	0	0	0	112
64	R	29.9	Very low	34.2	Very low	244 Å²	244	134.7 Å²	134.7	92%	0.921	77%	0.766	S	S	*	*			trans	-157.6	92.4	152.3	-145.9	169.2	-174	163.4	1.9	115.4
65	N	27.8	Very low	32.9	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	77%	0.768	S	S	*	*			trans	40.1	109.2	135.5	-159.3	66.8	0	0	0	122
66	S	31.8	Very low	31.6	Very low	85 Å²	85	128 Å²	128	59%	0.594	76%	0.762	S	S	*	*			trans	4.2	134.6	137.2	-147.1	0	0	0	0	121
67	N	29.4	Very low	30.6	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	77%	0.772	S	S	*	*				178.1	136.1	97.6	-103.6	5.7	0	0	0	116.2
68	N	33.2	Very low	30.1	Very low	116 Å²	116	130.8 Å²	130.8	62%	0.62	77%	0.769	S	S	*	*			trans	62.1	118.6	132.3	-65.2	11.1	0	0	0	125.1
69	N	32.1	Very low	29.7	Very low	123 Å²	123	132.2 Å²	132.2	66%	0.658	77%	0.773	S	S	*	*				92.6	117.4	119.9	-65.4	9	0	0	0	123.5
70	N	29.1	Very low	29.2	Very low	134 Å²	134	124.2 Å²	124.2	72%	0.717	77%	0.765	S	S	*	*				74.2	105.1	125.4	-59.8	4.8	0	0	0	122.9
71	T	27.1	Very low	29.8	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	76%	0.764	S	S	*	*				57.3	91.8	112.5	-42.8	0	0	0	0	121
72	A	26.7	Very low	29.4	Very low	90 Å²	90	122.9 Å²	122.9	74%	0.744	76%	0.758	S	S	*	*			trans	-159	133.1	134.3	0	0	0	0	0	106.7
73	A	25.4	Very low	29	Very low	98 Å²	98	117.5 Å²	117.5	81%	0.81	75%	0.753	S	S	*	*				62.2	118.7	57	0	0	0	0	0	112.3
74	A	27.1	Very low	28.6	Very low	85 Å²	85	115.8 Å²	115.8	70%	0.702	75%	0.752	S	S	*	*			cis	-158	-177.2	-2.2	0	0	0	0	0	111.6
75	T	25.5	Very low	28.5	Very low	125 Å²	125	109.7 Å²	109.7	77%	0.767	75%	0.746	S	S	*	*			trans	6.3	147.5	147.1	58.5	0	0	0	0	119.6
76	V	26.6	Very low	28.4	Very low	124 Å²	124	107.2 Å²	107.2	75%	0.752	75%	0.746	S	S	*	*			cis	-163.2	167.6	31.4	-132.4	0	0	0	0	110.8
77	V	27.3	Very low	28.1	Very low	139 Å²	139	108 Å²	108	84%	0.842	76%	0.758	S	S	*	*			trans	67.3	157.6	150.9	160.9	0	0	0	0	116.7
78	A	27	Very low	27.9	Very low	80 Å²	80	105 Å²	105	66%	0.661	76%	0.758	S	S	*	*			cis	-163.7	170.2	-47.7	0	0	0	0	0	107.4
79	A	28.4	Very low	27.5	Very low	102 Å²	102	109 Å²	109	84%	0.843	78%	0.775	S	S	*	*			trans	60.2	131.8	164.1	0	0	0	0	0	119
80	G	25.7	Very low	27.2	Very low	68 Å²	68	106.5 Å²	106.5	70%	0.701	78%	0.778	S	S	*	*			trans	-89.6	-154.2	151.4	0	0	0	0	0	110.5
81	P	44.6	Very low	27.1	Very low	124 Å²	124	107.4 Å²	107.4	81%	0.805	79%	0.788	S	S	*	*			cis	-142.1	-174.2	5.9	43.3	-25.4	0	0	0	116
82	A	25.9	Very low	27	Very low	93 Å²	93	112 Å²	112	77%	0.769	79%	0.79	S	S	*	*			trans	77.9	156.9	145.6	0	0	0	0	0	121.4
83	A	24.7	Very low	27.8	Very low	94 Å²	94	112.8 Å²	112.8	78%	0.777	79%	0.788	S	S	*	*			trans	62	128.1	175.5	0	0	0	0	0	116.5
84	A	25.9	Very low	27.8	Very low	96 Å²	96	114.8 Å²	114.8	79%	0.793	79%	0.79	S	S	*	*			cis	68.3	131.1	48.2	0	0	0	0	0	112
85	S	26.8	Very low	27.9	Very low	115 Å²	115	115.2 Å²	115.2	80%	0.804	79%	0.793	S	S	*	*			cis	-164.9	-172.1	6.6	56.6	0	0	0	0	111
86	A	26.3	Very low	27.9	Very low	93 Å²	93	112.5 Å²	112.5	77%	0.769	79%	0.79	S	S	*	*			trans	67.4	138.4	173.6	0	0	0	0	0	116.2
87	A	26.3	Very low	27.8	Very low	103 Å²	103	113.7 Å²	113.7	85%	0.851	79%	0.792	S	S	*	*			cis	97.2	145.9	24.7	0	0	0	0	0	114.8
88	G	25	Very low	27.8	Very low	67 Å²	67	113.8 Å²	113.8	69%	0.691	79%	0.787	S	S	*	*			trans	95.4	104.3	-170.1	0	0	0	0	0	111.3
89	M	25.3	Very low	27.8	Very low	200 Å²	200	113.6 Å²	113.6	99%	0.985	78%	0.781	S	S	*	*				64.8	117.3	63.8	-63.1	176.1	58.7	0	0	114.1
90	G	24.3	Very low	27.7	Very low	69 Å²	69	119.3 Å²	119.3	71%	0.711	78%	0.782	S	S	*	*			trans	165.2	110.1	159.8	0	0	0	0	0	118.1
91	V	26.7	Very low	27.7	Very low	154 Å²	154	123 Å²	123	93%	0.933	79%	0.785	S	S	*	*			trans	76.8	130.7	137.8	-175.8	0	0	0	0	120
92	R	26.3	Very low	26.8	Very low	233 Å²	233	127.9 Å²	127.9	88%	0.879	79%	0.788	S	S	*	*			trans	-101.4	-164.9	175.5	-120.4	178.4	-176	175.7	0.3	108.3
93	P	42.1	Very low	26.8	Very low	107 Å²	107	129.5 Å²	129.5	70%	0.695	79%	0.788	S	S	*	*			cis	-152.9	-164.2	27.2	40.1	-14.5	0	0	0	117.4
94	V	26.9	Very low	27.6	Very low	140 Å²	140	130.8 Å²	130.8	85%	0.848	79%	0.788	S	S	*	*			trans	70.9	140.7	161	179.6	0	0	0	0	117.3
95	A	27.8	Very low	27.5	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	79%	0.792	S	S	*	*			cis	-119.8	172.7	-6.3	0	0	0	0	0	110.1
96	G	26.7	Very low	27.4	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	79%	0.794	S	S	*	*				92.6	124.7	59.6	0	0	0	0	0	110.3
97	D	24.7	Very low	27.2	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	80%	0.797	S	S	*	*			cis	-156.7	171.5	8.9	-124.4	-31.4	0	0	0	114.8
98	L	26.8	Very low	27	Very low	141 Å²	141	132.2 Å²	132.2	74%	0.738	79%	0.792	S	S	*	*			trans	-2.7	119.7	160.5	-68.1	154.3	0	0	0	119.1
99	S	26.7	Very low	27.1	Very low	76 Å²	76	139.5 Å²	139.5	53%	0.531	80%	0.799	S	S	.	*				79.5	133.7	71.3	82.6	0	0	0	0	117.1
100	Y	26.9	Very low	27.1	Very low	221 Å²	221	136.4 Å²	136.4	87%	0.867	79%	0.785	S	S	*	*				-177.9	178.8	124.8	-104.2	-65.3	0	0	0	113.8
101	L	25.8	Very low	27.3	Very low	145 Å²	145	138.3 Å²	138.3	76%	0.759	79%	0.787	S	S	*	*			trans	-108.2	168.1	-167.9	-72.4	152.4	0	0	0	113.4
102	R	25.1	Very low	27.4	Very low	228 Å²	228	135.4 Å²	135.4	86%	0.86	78%	0.779	S	S	*	*			trans	99.4	131.2	138.6	-163.5	167.9	-84	154.4	-6.8	119.3
103	T	24.9	Very low	27.5	Very low	127 Å²	127	130.3 Å²	130.3	78%	0.779	78%	0.78	S	S	*	*			trans	-65.6	-171.8	165	13.5	0	0	0	0	113.1
104	P	43.4	Very low	26.8	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	78%	0.78	S	S	*	*			cis	-135.9	168.5	-8.2	34.3	-15	0	0	0	116.9
105	G	23.3	Very low	26.7	Very low	85 Å²	85	126.7 Å²	126.7	88%	0.876	77%	0.773	S	S	*	*			trans	76.6	169.4	138.6	0	0	0	0	0	119.6
106	G	23.6	Very low	26.6	Very low	81 Å²	81	130 Å²	130	84%	0.835	77%	0.773	S	S	*	*			trans	142.9	102.1	171.7	0	0	0	0	0	115.9
107	L	23.6	Very low	26.5	Very low	160 Å²	160	133.5 Å²	133.5	84%	0.838	78%	0.776	S	S	*	*			trans	-56.8	147.8	-177.6	-82.8	66.3	0	0	0	117.6
108	C	21.7	Very low	26.5	Very low	111 Å²	111	133.9 Å²	133.9	75%	0.75	78%	0.777	S	S	*	*			trans	57.7	138.4	136.2	-57.7	0	0	0	0	120.7
109	R	26.3	Very low	26.5	Very low	221 Å²	221	135.1 Å²	135.1	83%	0.834	78%	0.783	S	S	*	*				-172.5	146	77.6	-92	-179.6	179.9	-144.5	0.8	115.1
110	I	24.7	Very low	26.4	Very low	135 Å²	135	135 Å²	135	69%	0.692	79%	0.793	S	S	*	*			trans	56.8	113.8	137.6	-54.2	166.9	0	0	0	120.6
111	S	30.1	Very low	26.6	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	79%	0.788	S	S	*	*				-174.8	126.2	120.2	-75.3	0	0	0	0	107.7
112	A	27.1	Very low	27.3	Very low	93 Å²	93	127.4 Å²	127.4	77%	0.769	79%	0.794	S	S	*	*				71.3	133.6	64.2	0	0	0	0	0	112.8
113	S	28.7	Very low	27.3	Very low	127 Å²	127	120.6 Å²	120.6	89%	0.888	79%	0.794	S	S	*	*			cis	-169.6	166.9	-6.4	46.3	0	0	0	0	111.5
114	G	27.1	Very low	27.6	Very low	68 Å²	68	118.2 Å²	118.2	70%	0.701	80%	0.795	S	S	*	*			trans	125.3	105.2	173.8	0	0	0	0	0	111.7
115	S	26.2	Very low	26.9	Very low	102 Å²	102	116.8 Å²	116.8	71%	0.713	79%	0.793	S	S	*	*				57.4	110.1	62.5	-69.2	0	0	0	0	111.5
116	E	25	Very low	27.1	Very low	163 Å²	163	117.9 Å²	117.9	76%	0.762	79%	0.787	S	S	*	*				119.8	124.5	57.2	-95.8	168	116	0	0	105.3
117	N	25.6	Very low	27.3	Very low	143 Å²	143	118.8 Å²	118.8	77%	0.765	79%	0.787	S	S	*	*				79.9	143	72.3	-107.9	-0.3	0	0	0	114.4
118	L	23.5	Very low	27.7	Very low	156 Å²	156	114.8 Å²	114.8	82%	0.817	78%	0.777	S	S	*	*			trans	66.2	165.6	173.3	-57.7	162.1	0	0	0	115.6
119	L	27.6	Very low	28.3	Very low	168 Å²	168	115.9 Å²	115.9	88%	0.88	78%	0.782	S	S	*	*			cis	-172.7	136.3	-42.2	-171.8	74.9	0	0	0	106.2
120	G	24.7	Very low	28.4	Very low	72 Å²	72	111.5 Å²	111.5	74%	0.742	78%	0.78	S	S	*	*			trans	125.8	126.3	163.7	0	0	0	0	0	116.4
121	G	29.8	Very low	28.6	Very low	73 Å²	73	109.8 Å²	109.8	75%	0.753	79%	0.787	S	S	*	*			trans	-80.8	173	146.8	0	0	0	0	0	109.9
122	P	40.5	Very low	28.3	Very low	135 Å²	135	107.6 Å²	107.6	88%	0.877	78%	0.781	S	S	*	*				-150	169.3	100.1	39.4	-24.4	0	0	0	115.6
123	G	26.4	Very low	28.2	Very low	84 Å²	84	108.6 Å²	108.6	87%	0.866	78%	0.782	S	S	*	*			trans	88.2	124.2	160.1	0	0	0	0	0	115.5
124	G	30.1	Very low	28.2	Very low	77 Å²	77	112 Å²	112	79%	0.794	78%	0.781	S	S	*	*			trans	179.8	19.4	-176.3	0	0	0	0	0	119.4
125	A	28.5	Very low	28.4	Very low	91 Å²	91	114.2 Å²	114.2	75%	0.752	78%	0.781	S	S	*	*			trans	59.4	148.9	167	0	0	0	0	0	120.5
126	S	28.5	Very low	28.5	Very low	107 Å²	107	116.2 Å²	116.2	75%	0.748	78%	0.783	S	S	*	*			trans	22.9	111.5	152.9	54.4	0	0	0	0	118.9
127	A	27.7	Very low	28.8	Very low	100 Å²	100	115.4 Å²	115.4	83%	0.826	78%	0.783	S	S	*	*				68.8	128.8	81.7	0	0	0	0	0	114.1
128	A	31.8	Very low	28.9	Very low	76 Å²	76	111.6 Å²	111.6	63%	0.628	78%	0.778	S	S	*	*			trans	-74.7	146.1	-168.5	0	0	0	0	0	114	T130	A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 HydrophobicContact CB-CG2 4.17Å; A128-T130 PolarHBondContact O-N 3.08Å
129	P	34.8	Very low	29.1	Very low	134 Å²	134	113.5 Å²	113.5	87%	0.87	78%	0.779	S	S	*	*			trans	-73.7	83.5	155.6	32.2	-32.1	0	0	0	109.4	A131	P129-A131 PolarHBondContact O-N 2.84Å
130	T	27.2	Very low	28.9	Very low	129 Å²	129	110.3 Å²	110.3	79%	0.791	77%	0.771	S	S	*	*			trans	-79	107.6	167.9	49.3	0	0	0	0	110.9	A128	A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 HydrophobicContact CB-CG2 4.17Å; A128-T130 PolarHBondContact O-N 3.08Å
131	A	29.3	Very low	29.2	Very low	100 Å²	100	111.9 Å²	111.9	83%	0.826	77%	0.771	S	S	*	*			trans	-155	139.7	156.4	0	0	0	0	0	108.7	P129	P129-A131 PolarHBondContact O-N 2.84Å
132	G	24	Very low	29.1	Very low	61 Å²	61	116 Å²	116	63%	0.629	78%	0.776	S	S	*	*			cis	115.4	90.5	10.5	0	0	0	0	0	109
133	S	25.8	Very low	28.5	Very low	114 Å²	114	118.2 Å²	118.2	80%	0.797	77%	0.774	S	S	*	*				95.8	166.1	68.7	68.8	0	0	0	0	112
134	K	29.1	Very low	28.7	Very low	198 Å²	198	118.3 Å²	118.3	86%	0.861	76%	0.762	S	S	*	*			trans	81	140.9	-170.4	-58.5	-169.8	173.7	179.2	0	114.2
135	V	30.3	Very low	28.5	Very low	116 Å²	116	121 Å²	121	70%	0.703	76%	0.758	S	S	*	*			cis	-155.1	163.7	-1	115.4	0	0	0	0	111.7
136	L	28.9	Very low	28.8	Very low	143 Å²	143	122.7 Å²	122.7	75%	0.749	76%	0.759	S	S	*	*			trans	-6.8	154.5	171	-73.7	71.2	0	0	0	119.8
137	L	31.6	Very low	28.7	Very low	147 Å²	147	126.6 Å²	126.6	77%	0.77	77%	0.765	S	S	*	*			cis	-127.8	168	26.3	-65.1	155.3	0	0	0	110.7
138	G	26.3	Very low	28.6	Very low	63 Å²	63	125.7 Å²	125.7	65%	0.649	76%	0.758	S	S	*	*			cis	89.2	123.2	31.5	0	0	0	0	0	109.7
139	F	27.3	Very low	28.6	Very low	195 Å²	195	127.6 Å²	127.6	86%	0.855	77%	0.766	S	S	*	*			cis	-134.6	158.8	11.3	-73.6	-100.2	0	0	0	108.6
140	S	24.4	Very low	29.1	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	76%	0.759	S	S	*	*				72.1	139.6	52.6	-160.2	0	0	0	0	115.8
141	S	31.1	Very low	29.2	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	76%	0.759	S	S	*	*			trans	73.1	136.9	173.7	-53.5	0	0	0	0	116.5
142	D	28.6	Very low	29.2	Very low	159 Å²	159	130.5 Å²	130.5	85%	0.85	75%	0.746	S	S	*	*			cis	88.6	163.3	27	-160.1	22.9	0	0	0	114.1
143	E	27.4	Very low	29.7	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	75%	0.754	S	S	*	*			trans	88.1	155.5	179.4	-141.9	155.6	99.8	0	0	117.6
144	S	30.8	Very low	29.9	Very low	86 Å²	86	134.6 Å²	134.6	60%	0.601	75%	0.752	S	S	*	*			trans	-128.7	-166.6	-144.4	50.6	0	0	0	0	113.4
145	D	25.9	Very low	29.8	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	75%	0.749	S	S	*	*			trans	71.1	133.1	160.4	-58.5	-54.3	0	0	0	117.2
146	V	33.4	Very low	29.7	Very low	126 Å²	126	127.1 Å²	127.1	76%	0.764	75%	0.754	S	S	*	*			cis	77.9	94.5	45	-179.6	0	0	0	0	112.6
147	E	28	Very low	29.5	Very low	190 Å²	190	124.5 Å²	124.5	89%	0.888	76%	0.762	S	S	*	*			trans	-157.6	156.8	131.4	-95.3	-170.4	123.4	0	0	107.1
148	A	24.5	Very low	29.4	Very low	81 Å²	81	121 Å²	121	67%	0.669	76%	0.761	S	S	*	*			cis	170.7	142.2	-26.8	0	0	0	0	0	103.5
149	S	32.9	Very low	29.5	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	78%	0.775	S	S	*	*			trans	-92.4	144.7	175.9	178.6	0	0	0	0	111.2
150	P	44.7	Very low	29.8	Very low	111 Å²	111	129.1 Å²	129.1	72%	0.721	77%	0.772	S	S	*	*			trans	-129.6	152.9	137.1	36	-25.9	0	0	0	111.3
151	R	28.7	Very low	29.9	Very low	211 Å²	211	130.9 Å²	130.9	80%	0.796	77%	0.773	S	S	*	*			cis	-162.5	163	-8.1	-126.5	-177.6	143.6	132.6	-0.7	110.6
152	D	30.2	Very low	29.7	Very low	102 Å²	102	137.1 Å²	137.1	55%	0.545	78%	0.781	S	S	.	*			trans	24.6	145.9	137.1	-63.8	-25.6	0	0	0	121.3
153	Q	34.8	Very low	29.6	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	78%	0.777	S	S	*	*			cis	-173.5	170.4	-8.3	-115	175	65.2	0	0	106.3
154	A	29.6	Very low	29.5	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	77%	0.771	S	S	*	*			cis	-151	-170.4	-9.8	0	0	0	0	0	105.6
155	G	27.2	Very low	29.4	Very low	78 Å²	78	134 Å²	134	80%	0.804	78%	0.783	S	S	*	*			cis	-179.1	178.2	-1.1	0	0	0	0	0	107.4
156	G	27.3	Very low	29.6	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	79%	0.791	S	S	*	*			cis	179.3	162.3	-4.3	0	0	0	0	0	111.1
157	G	25.8	Very low	29.2	Very low	88 Å²	88	141.3 Å²	141.3	91%	0.907	80%	0.796	S	S	*	*			trans	88.7	137.7	177.3	0	0	0	0	0	115.3
158	G	28.4	Very low	29.2	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	80%	0.799	S	S	*	*			cis	-179.4	169.8	-7.4	0	0	0	0	0	114
159	R	29.6	Very low	29.2	Very low	247 Å²	247	144 Å²	144	93%	0.932	81%	0.805	S	S	*	*			trans	70.2	87.4	172.8	-60.1	-173.3	175.9	-166.7	-1.8	118.8
160	K	32.1	Very low	29.1	Very low	182 Å²	182	147.1 Å²	147.1	79%	0.791	81%	0.812	S	S	*	*				18.4	153.2	109.5	-83.7	-174.8	158.6	-147.6	0	120
161	D	27.3	Very low	28.1	Very low	138 Å²	138	152 Å²	152	74%	0.738	82%	0.821	S	S	*	*			cis	-139.6	-174.6	18	-106	-43.9	0	0	0	113.9
162	R	26.7	Very low	28	Very low	237 Å²	237	146 Å²	146	89%	0.894	82%	0.817	S	S	*	*			trans	-147.7	157.6	-166.7	-164.1	-163.5	178.4	107.5	-4.6	114.2
163	A	25.4	Very low	29.4	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	83%	0.828	S	S	*	*			trans	83.5	174.6	153.3	0	0	0	0	0	119.2
164	S	27.1	Very low	29.5	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	83%	0.83	S	S	*	*			trans	-152.1	146.6	-152	56	0	0	0	0	114.3
165	L	28.8	Very low	29.4	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	83%	0.829	S	S	*	*			trans	55.2	120.6	155.9	-69.3	167.9	0	0	0	120.1
166	Q	28.1	Very low	30.7	Very low	187 Å²	187	146.2 Å²	146.2	87%	0.874	83%	0.825	S	S	*	*				-169.8	131.4	117.4	-105.4	177.1	22.3	0	0	115.2
167	Y	25.1	Very low	30.8	Very low	225 Å²	225	150.3 Å²	150.3	88%	0.882	83%	0.827	S	S	*	*			trans	26.1	128.6	147.2	-94.1	-97.1	0	0	0	124
168	R	27.8	Very low	31	Very low	251 Å²	251	150.1 Å²	150.1	95%	0.947	82%	0.817	S	S	*	*			trans	-163	141.6	135.8	-139.7	177.5	-170.2	178.2	4.1	114.8
169	G	26.3	Very low	31	Very low	76 Å²	76	151.2 Å²	151.2	78%	0.784	82%	0.819	S	S	*	*			trans	89.7	110.3	141.6	0	0	0	0	0	120.5
170	L	29.3	Very low	31.1	Very low	181 Å²	181	144.8 Å²	144.8	95%	0.948	81%	0.812	S	S	*	*			trans	-72.5	141.1	169.4	-67.4	143.4	0	0	0	113.8
171	K	24.6	Very low	30.8	Very low	213 Å²	213	144.2 Å²	144.2	93%	0.926	81%	0.812	S	S	*	*			trans	-166.1	169.3	130.5	-133.3	173.1	178.3	177.1	0	113.7
172	A	27.3	Very low	30.9	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	81%	0.807	S	S	*	*			trans	-139.5	177.8	-174.6	0	0	0	0	0	110.9
173	P	57.5	Low	31.1	Very low	120 Å²	120	137.3 Å²	137.3	78%	0.779	80%	0.801	S	S	*	*			trans	-91.7	-179	-144.4	39.1	-41.9	0	0	0	116.8
174	P	38.9	Very low	31.2	Very low	129 Å²	129	139.6 Å²	139.6	84%	0.838	80%	0.8	S	S	*	*				-146.5	-171.9	114.7	41.7	-26.8	0	0	0	115.7
175	A	26.8	Very low	31.2	Very low	88 Å²	88	139.4 Å²	139.4	73%	0.727	80%	0.798	S	S	*	*			trans	-124.3	-154.4	167.1	0	0	0	0	0	108.4
176	P	53.3	Low	31.2	Very low	109 Å²	109	139 Å²	139	71%	0.708	80%	0.797	S	S	*	*			cis	-137.5	-155.1	-16.1	27	0.5	0	0	0	113.5
177	L	30	Very low	31.1	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	79%	0.791	S	S	*	*			trans	83.2	150.2	157.8	-56.9	-177.9	0	0	0	119.3
178	A	29.6	Very low	31.2	Very low	85 Å²	85	129 Å²	129	70%	0.702	79%	0.787	S	S	*	*			cis	-166.6	173.8	-12	0	0	0	0	0	113.6
179	A	30.1	Very low	31.2	Very low	96 Å²	96	124.1 Å²	124.1	79%	0.793	77%	0.774	S	S	*	*			trans	70.4	132.6	162	0	0	0	0	0	118.3
180	S	31.1	Very low	31.2	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	77%	0.766	S	S	*	*			cis	-156.5	-159.7	-2.7	-78.8	0	0	0	0	108.3
181	E	26	Very low	31	Very low	170 Å²	170	129.5 Å²	129.5	79%	0.794	76%	0.759	S	S	*	*			cis	-154.7	-134.3	11	-141.5	-129.8	53.2	0	0	113.4
182	V	29.8	Very low	31	Very low	106 Å²	106	128.9 Å²	128.9	64%	0.642	76%	0.756	S	S	*	*			trans	-127.1	134.8	-159.5	-159	0	0	0	0	113.3
183	T	29.6	Very low	31.8	Very low	123 Å²	123	129.6 Å²	129.6	76%	0.755	75%	0.753	S	S	*	*				-174.4	146.1	89	28.1	0	0	0	0	115.4
184	N	27	Very low	30.4	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	76%	0.755	S	S	*	*			trans	62.4	103.5	151.6	-68.5	3.4	0	0	0	124.4
185	S	28.5	Very low	29.9	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	76%	0.759	S	S	*	*				71.9	111.6	124	66.4	0	0	0	0	123.4
186	N	28.2	Very low	29.9	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	77%	0.767	S	S	*	*				55.4	141	120.8	-60.8	-4.1	0	0	0	121.4
187	S	26.9	Very low	28.6	Very low	107 Å²	107	146 Å²	146	75%	0.748	78%	0.778	S	S	*	*			cis	-169.5	139.9	-5.9	47.2	0	0	0	0	114
188	A	27	Very low	28.3	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	77%	0.769	S	S	*	*			trans	59.1	146.6	141.2	0	0	0	0	0	124.4
189	E	27.1	Very low	28.1	Very low	147 Å²	147	142 Å²	142	69%	0.687	78%	0.775	S	S	*	*			trans	76.9	120.1	153.4	-77.7	-142.9	124.2	0	0	123.7
190	R	25.9	Very low	27.8	Very low	163 Å²	163	149.1 Å²	149.1	62%	0.615	78%	0.781	S	S	*	*				95.4	141.9	125.6	-84.1	-176.3	-164.2	-96.2	-14.8	123.7
191	R	26.8	Very low	27.7	Very low	208 Å²	208	154.7 Å²	154.7	79%	0.785	79%	0.785	S	S	*	*			trans	76.9	113.8	143.5	-75.6	165.6	177	138.8	-6.7	120.4
192	K	24.3	Very low	28.2	Very low	199 Å²	199	152.3 Å²	152.3	87%	0.865	78%	0.784	S	S	*	*			trans	-65.6	172.5	139.8	-71	-176.2	170.6	-176.1	0	110.3
193	P	44.3	Very low	27.8	Very low	101 Å²	101	151.8 Å²	151.8	66%	0.656	79%	0.791	S	S	*	*			cis	-139	-175	7	44.6	-27.4	0	0	0	116.9
194	H	26.5	Very low	27.6	Very low	179 Å²	179	149.2 Å²	149.2	83%	0.829	79%	0.788	S	S	*	*			trans	42.8	125.7	151.6	-63.8	-63	0	0	0	122.5
195	S	28.5	Very low	28.4	Very low	131 Å²	131	147.9 Å²	147.9	92%	0.916	79%	0.788	S	S	*	*				-177.7	-164.6	113.9	47.1	0	0	0	0	111.5
196	W	26.6	Very low	28.2	Very low	234 Å²	234	150 Å²	150	89%	0.886	79%	0.791	S	S	*	*			trans	-106.2	-175.5	-158	-124.4	-29.5	0	0	0	114.4
197	W	26.1	Very low	28.1	Very low	248 Å²	248	149.5 Å²	149.5	94%	0.939	79%	0.788	S	S	*	*			trans	69.9	150.3	-179.9	-39.9	101.1	0	0	0	115.4
198	G	24.7	Very low	27.9	Very low	66 Å²	66	152.7 Å²	152.7	68%	0.68	79%	0.791	S	S	*	*			cis	166.3	134.4	-9.4	0	0	0	0	0	112.6
199	A	24.3	Very low	27.8	Very low	99 Å²	99	153.2 Å²	153.2	82%	0.818	79%	0.785	S	S	*	*			trans	63.7	145.3	-178.1	0	0	0	0	0	115.6
200	R	24.7	Very low	27.7	Very low	245 Å²	245	154 Å²	154	93%	0.925	79%	0.793	S	S	*	*				-160.8	159.2	50.4	-144.7	175.2	-66.5	-135.6	1.1	113.1
201	R	28.2	Very low	28.5	Very low	230 Å²	230	152 Å²	152	87%	0.868	80%	0.801	S	S	*	*			trans	-76.9	163.5	166.8	-121.8	-170.1	-62.4	176.5	1.2	110.7
202	P	36.6	Very low	28.5	Very low	120 Å²	120	145.6 Å²	145.6	78%	0.779	80%	0.8	S	S	*	*				-127	-156.3	69.5	34.8	-16.2	0	0	0	111.6
203	A	22.8	Very low	28.7	Very low	95 Å²	95	144.9 Å²	144.9	79%	0.785	80%	0.797	S	S	*	*			cis	-155.4	-169.6	10.2	0	0	0	0	0	112.6
204	G	23.9	Very low	27.9	Very low	68 Å²	68	146.8 Å²	146.8	70%	0.701	80%	0.801	S	S	*	*			trans	-131.5	-157.4	163	0	0	0	0	0	109.8
205	P	44	Very low	28	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	80%	0.797	S	S	*	*			cis	-117.3	-161.6	12.1	40.8	-22.7	0	0	0	112.2
206	D	25	Very low	28	Very low	139 Å²	139	140 Å²	140	74%	0.743	79%	0.792	S	S	*	*				-172.2	166.5	51.4	-135.7	-20	0	0	0	116.7
207	L	25.2	Very low	28.3	Very low	149 Å²	149	134.4 Å²	134.4	78%	0.78	78%	0.783	S	S	*	*			trans	74.8	172.2	155.8	-83.1	162.4	0	0	0	123.9
208	Q	24.6	Very low	28.6	Very low	173 Å²	173	130 Å²	130	81%	0.808	77%	0.773	S	S	*	*			trans	-158.4	167.9	-136.8	-76.8	-167	7.1	0	0	112.7
209	T	23.8	Very low	28.9	Very low	107 Å²	107	133.4 Å²	133.4	66%	0.656	78%	0.776	S	S	*	*			cis	-173.4	133.8	-17	-88.2	0	0	0	0	111.1
210	L	24.2	Very low	29.5	Very low	164 Å²	164	136.9 Å²	136.9	86%	0.859	78%	0.775	S	S	*	*			trans	57.7	173.2	167.5	-97.6	88.3	0	0	0	119
211	P	43.5	Very low	29.7	Very low	119 Å²	119	134 Å²	134	77%	0.773	77%	0.772	S	S	*	*			cis	-125.1	169.1	-9.4	39.7	-26.2	0	0	0	115.4
212	G	27.2	Very low	29.6	Very low	75 Å²	75	126 Å²	126	77%	0.773	76%	0.761	S	S	*	*			trans	155.2	96.3	149.2	0	0	0	0	0	121.5
213	K	28.2	Very low	29.2	Very low	183 Å²	183	130.1 Å²	130.1	80%	0.796	77%	0.77	S	S	*	*				91.5	124.7	129.7	-158	167	-176.2	171.6	0	122.2
214	D	26.6	Very low	29.4	Very low	141 Å²	141	128.9 Å²	128.9	75%	0.754	77%	0.767	S	S	*	*			trans	35.9	136.1	155.4	-44.2	-12.3	0	0	0	121
215	G	28.8	Very low	29.7	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	77%	0.773	S	S	*	*			cis	165.9	178.7	-1.5	0	0	0	0	0	112.5
216	A	29	Very low	28.9	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	78%	0.778	S	S	*	*			trans	75.5	112.9	-178.6	0	0	0	0	0	115.8
217	V	32.8	Very low	29.1	Very low	116 Å²	116	133.4 Å²	133.4	70%	0.703	78%	0.781	S	S	*	*				89.1	127.3	66.3	150.4	0	0	0	0	111.5
218	E	31.6	Very low	29.3	Very low	154 Å²	154	135.5 Å²	135.5	72%	0.72	79%	0.787	S	S	*	*			cis	-149.1	139.6	-4.1	-102.3	148.9	-149.7	0	0	105.7
219	D	32.8	Very low	29.5	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	78%	0.781	S	S	*	*				83.7	142.2	62.8	-58.8	-7.9	0	0	0	112.9
220	E	35.9	Very low	29.6	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.804	79%	0.785	S	S	*	*			cis	-132	-131.6	-18.8	-109	-72.8	44.9	0	0	109.2
221	E	29.6	Very low	29.7	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	78%	0.783	S	S	*	*			cis	-160.6	171.6	4.6	-131.4	172.8	-93.7	0	0	105.8
222	G	25.7	Very low	30.3	Very low	62 Å²	62	137.3 Å²	137.3	64%	0.639	78%	0.779	S	S	*	*			cis	127.8	121.4	5.9	0	0	0	0	0	111.7
223	E	28.8	Very low	30.2	Very low	207 Å²	207	142.7 Å²	142.7	97%	0.967	78%	0.784	S	S	*	*			cis	-118.8	-92.9	-14.3	-74.1	-160.6	77.1	0	0	113.4
224	G	26.4	Very low	30.2	Very low	70 Å²	70	138 Å²	138	72%	0.722	78%	0.779	S	S	*	*			cis	117.1	126.4	0.1	0	0	0	0	0	112.5
225	E	29.1	Very low	30.1	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	79%	0.787	S	S	*	*			cis	-151.4	163.9	-7	-83.2	-178.7	124.8	0	0	109.4
226	D	29	Very low	29.9	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	79%	0.792	S	S	*	*			trans	45.5	142.3	150.9	-60.5	-1.5	0	0	0	125
227	G	28.8	Very low	30.6	Very low	79 Å²	79	145.5 Å²	145.5	81%	0.814	78%	0.782	S	S	*	*			trans	152.7	134.9	159.2	0	0	0	0	0	117.3
228	E	29.2	Very low	30.2	Very low	194 Å²	194	147.9 Å²	147.9	91%	0.907	79%	0.79	S	S	*	*			trans	-91	170.1	-172.8	-75	171.9	87.1	0	0	116.9
229	E	28	Very low	29.9	Very low	147 Å²	147	151.9 Å²	151.9	69%	0.687	80%	0.798	S	S	*	*			trans	60	108.1	158.1	-86.5	-153.6	119.8	0	0	122.3
230	R	27.1	Very low	29.5	Very low	198 Å²	198	150 Å²	150	75%	0.747	80%	0.802	S	S	*	*				86.2	107.1	105.1	-168.8	167.6	-175.2	178.2	2.5	122.4
231	D	26.5	Very low	29.1	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	80%	0.796	S	S	*	*			trans	67.8	162.1	142.2	-81.9	-25.5	0	0	0	120.1
232	P	54.3	Low	28.9	Very low	107 Å²	107	148.7 Å²	148.7	70%	0.695	80%	0.797	S	S	*	*			trans	-118.3	179.1	-147.1	43.5	-34.5	0	0	0	114.6
233	E	26.4	Very low	28.9	Very low	188 Å²	188	152.3 Å²	152.3	88%	0.879	81%	0.807	S	S	*	*				179.1	166.9	121	-100.7	-170.2	132.5	0	0	114.2
234	A	27.3	Very low	28.9	Very low	83 Å²	83	147.9 Å²	147.9	69%	0.686	79%	0.794	S	S	*	*			trans	67.4	107.4	145.8	0	0	0	0	0	124
235	E	24.6	Very low	29	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	80%	0.8	S	S	*	*				86.7	154.2	117.3	-68.5	-168.5	179.6	0	0	124.9
236	E	24	Very low	28.8	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	79%	0.794	S	S	*	*			trans	-73.2	-172.7	179	-92.9	-166.1	162.7	0	0	114.5
237	P	45.5	Very low	28.6	Very low	93 Å²	93	144.8 Å²	144.8	60%	0.604	79%	0.792	S	S	*	*			cis	-132.2	-166.8	-28.1	30.3	-9.8	0	0	0	111.5
238	L	23.8	Very low	28.6	Very low	166 Å²	166	151.5 Å²	151.5	87%	0.869	79%	0.793	S	S	*	*				-177.5	164.9	120.1	-98.5	164.5	0	0	0	114.3
239	W	25.6	Very low	28.5	Very low	237 Å²	237	149.7 Å²	149.7	90%	0.898	79%	0.788	S	S	*	*			trans	-95.8	156.3	-174	-67.6	1.7	0	0	0	114.9
240	A	24.5	Very low	28.5	Very low	100 Å²	100	149 Å²	149	83%	0.826	79%	0.793	S	S	*	*			trans	-135.7	166.5	153.9	0	0	0	0	0	110.3
241	S	26.3	Very low	28.8	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	80%	0.795	S	S	*	*			trans	-152.3	150.3	-167.2	-64.3	0	0	0	0	116.4
242	R	25.6	Very low	28.6	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	80%	0.795	S	S	*	*			trans	68	132.6	162.9	-59.4	177.8	178.5	-166.4	-0.3	119.1
243	T	26.4	Very low	27.3	Very low	138 Å²	138	148.3 Å²	148.3	85%	0.847	80%	0.801	S	S	*	*				173.8	-178.7	108.6	33.1	0	0	0	0	110
244	V	28.8	Very low	27.2	Very low	114 Å²	114	144.7 Å²	144.7	69%	0.691	80%	0.795	S	S	*	*				-158.8	149.4	-76.9	133	0	0	0	0	109.8
245	N	27.4	Very low	27.2	Very low	162 Å²	162	151.4 Å²	151.4	87%	0.866	80%	0.803	S	S	*	*			trans	67.2	152.4	176.6	-62.3	-28.6	0	0	0	117.6
246	G	25.6	Very low	27.3	Very low	69 Å²	69	150.6 Å²	150.6	71%	0.711	80%	0.799	S	S	*	*			cis	165	137.8	-14.5	0	0	0	0	0	116.7
247	S	25.9	Very low	27.4	Very low	114 Å²	114	149 Å²	149	80%	0.797	80%	0.796	S	S	*	*			trans	58.1	119.3	154	-164.5	0	0	0	0	121.7
248	R	28.7	Very low	26.5	Very low	220 Å²	220	156 Å²	156	83%	0.83	81%	0.812	S	S	*	*				-174.3	131.5	114.2	-101.5	173	-166.4	-128.4	3.3	115.3
249	L	27.2	Very low	26.6	Very low	155 Å²	155	153.3 Å²	153.3	81%	0.812	81%	0.807	S	S	*	*			trans	42.2	131	138.4	-60.5	169.8	0	0	0	122.6
250	V	27.8	Very low	26.7	Very low	132 Å²	132	148.5 Å²	148.5	80%	0.8	80%	0.799	S	S	*	*			trans	-78.5	159.9	165.5	-145.1	0	0	0	0	110.9
251	P	32	Very low	26.9	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	80%	0.798	S	S	*	*				-146.3	143.9	97.6	37.7	-22.1	0	0	0	117
252	Y	23.7	Very low	27.1	Very low	203 Å²	203	152.9 Å²	152.9	80%	0.796	80%	0.804	S	S	*	*			trans	15.7	121	145.1	-98.5	-100.4	0	0	0	121
253	S	26.6	Very low	27.5	Very low	118 Å²	118	151.6 Å²	151.6	83%	0.825	81%	0.808	S	S	*	*				-155.6	117.8	124.1	66.4	0	0	0	0	111.1
254	C	24.3	Very low	28	Very low	111 Å²	111	153.9 Å²	153.9	75%	0.75	81%	0.809	S	S	*	*			trans	-80	138.4	171.6	-58.8	0	0	0	0	110.2
255	R	26.9	Very low	28.1	Very low	224 Å²	224	155 Å²	155	85%	0.845	81%	0.812	S	S	*	*			trans	-142.6	105.8	159.5	-168.8	175.3	-172	177.7	3.4	109.8
256	E	26.2	Very low	28.3	Very low	182 Å²	182	154.3 Å²	154.3	85%	0.85	81%	0.808	S	S	*	*			trans	-72.8	138.4	172.8	-64.7	165.2	134	0	0	109.7
257	N	27.6	Very low	28.5	Very low	145 Å²	145	158 Å²	158	78%	0.775	81%	0.811	S	S	*	*			trans	-162.8	76.8	164.7	-97.4	-15.5	0	0	0	105.7
258	Y	25.4	Very low	28.7	Very low	240 Å²	240	160.4 Å²	160.4	94%	0.941	82%	0.815	S	S	*	*			trans	-102.5	119.8	173.5	-114.7	-85	0	0	0	109
259	S	26.1	Very low	29	Very low	108 Å²	108	155.7 Å²	155.7	76%	0.755	81%	0.811	S	S	*	*			trans	-138.3	106.9	168	-167.9	0	0	0	0	107.2
260	D	26.8	Very low	29	Very low	137 Å²	137	153.2 Å²	153.2	73%	0.733	81%	0.812	S	S	*	*				40.3	102.8	125.3	-153.5	24.7	0	0	0	117.4
261	S	30.5	Very low	29.2	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	81%	0.809	S	S	*	*				-169.2	142.8	125.5	-107.2	0	0	0	0	112.5
262	E	30.7	Very low	29.1	Very low	174 Å²	174	151 Å²	151	81%	0.813	81%	0.805	S	S	*	*			trans	-66.8	145.9	177.3	-53.6	149.6	140	0	0	112.9
263	E	33.3	Very low	29.3	Very low	201 Å²	201	151.3 Å²	151.3	94%	0.939	81%	0.805	S	S	*	*			trans	-143.9	164.7	153.2	-73.7	-162.2	-179.5	0	0	109.6
264	E	36.5	Very low	29.4	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	80%	0.797	S	S	*	*			trans	-111.9	-157.5	-160.4	-57.5	-174.5	102.3	0	0	114.1
265	D	31.9	Very low	29.5	Very low	139 Å²	139	153 Å²	153	74%	0.743	80%	0.797	S	S	*	*			trans	80.6	104.5	159.7	-59.1	-10.6	0	0	0	122.3
266	D	31	Very low	29.4	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	80%	0.796	S	S	*	*				66.9	133.5	120	-69.1	-2.6	0	0	0	126.3
267	D	30.3	Very low	29.4	Very low	146 Å²	146	148.6 Å²	148.6	78%	0.781	79%	0.788	S	S	*	*			trans	13.8	137.6	147	-72.9	-25.1	0	0	0	122.7
268	D	29.6	Very low	29.4	Very low	164 Å²	164	147 Å²	147	88%	0.877	78%	0.779	S	S	*	*				-155.9	164.4	113.9	-141.4	-26.3	0	0	0	113.4
269	V	34.1	Very low	29.4	Very low	122 Å²	122	142.2 Å²	142.2	74%	0.739	77%	0.77	S	S	*	*			trans	-137.2	123.3	-168.5	174	0	0	0	0	113.6
270	A	28	Very low	29.5	Very low	103 Å²	103	141.6 Å²	141.6	85%	0.851	77%	0.766	S	S	*	*			trans	-154.4	165.2	160.4	0	0	0	0	0	113.8
271	S	31.6	Very low	29.5	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	77%	0.77	S	S	*	*				-152.8	155.5	-129.2	174.4	0	0	0	0	114.9
272	S	29.4	Very low	29.3	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	77%	0.77	S	S	*	*			trans	71.3	157.6	161.7	-65.7	0	0	0	0	116
273	R	29.1	Very low	29.1	Very low	210 Å²	210	144.3 Å²	144.3	79%	0.792	77%	0.769	S	S	*	*			cis	-171.1	168.3	2	-115.5	177.1	168.5	166	2.4	108.2
274	Q	27.8	Very low	28.7	Very low	141 Å²	141	142.6 Å²	142.6	66%	0.659	76%	0.761	S	S	*	*			cis	-164.5	111.4	-12.8	-154.8	170.5	-109.1	0	0	114.2
275	V	27.5	Very low	28.3	Very low	125 Å²	125	144.5 Å²	144.5	76%	0.758	76%	0.76	S	S	*	*			trans	74.5	152.8	138.1	172.8	0	0	0	0	123.1
276	L	23.9	Very low	28.3	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	76%	0.762	S	S	*	*			trans	95.8	140	156.6	-131.6	67.7	0	0	0	118.6
277	K	27	Very low	28.1	Very low	156 Å²	156	148 Å²	148	68%	0.678	77%	0.768	S	S	*	*			cis	-165.4	164.9	-41.1	-162.5	175	158.8	-81.8	0	109.9
278	D	26.3	Very low	27.9	Very low	111 Å²	111	152 Å²	152	59%	0.594	77%	0.772	S	S	*	*			trans	105.1	122.9	148.4	-74.1	-45	0	0	0	124.4
279	D	27.1	Very low	27.7	Very low	140 Å²	140	150.9 Å²	150.9	75%	0.749	77%	0.771	S	S	*	*			trans	53.5	106.9	145.8	-90.7	-41.1	0	0	0	126.8
280	S	26.5	Very low	27.4	Very low	96 Å²	96	153.3 Å²	153.3	67%	0.671	77%	0.774	S	S	*	*				114.2	150	106	80.5	0	0	0	0	121.6
281	L	27.6	Very low	27.4	Very low	155 Å²	155	154.2 Å²	154.2	81%	0.812	77%	0.774	S	S	*	*			trans	67.2	116.4	157.8	-67.6	174.9	0	0	0	123.2
282	S	26.3	Very low	27.2	Very low	116 Å²	116	158.8 Å²	158.8	81%	0.811	78%	0.781	S	S	*	*			trans	95.1	150.6	131.7	82.1	0	0	0	0	121.5
283	R	25.8	Very low	27.5	Very low	213 Å²	213	159.1 Å²	159.1	80%	0.804	78%	0.781	S	S	*	*			trans	-90	157	-177.4	-44.3	165.1	-152.8	159.2	7.4	107.6
284	H	25.5	Very low	27.3	Very low	164 Å²	164	156.4 Å²	156.4	76%	0.759	78%	0.781	S	S	*	*				-172.1	160.1	57.3	-117	-72.2	0	0	0	113.1
285	R	29.1	Very low	27.2	Very low	226 Å²	226	154.9 Å²	154.9	85%	0.853	79%	0.786	S	S	*	*			trans	-59.4	133.7	170.5	175.9	-159.6	-143.2	169.3	10.1	114.9
286	P	30.5	Very low	28.1	Very low	121 Å²	121	154.6 Å²	154.6	79%	0.786	79%	0.787	S	S	*	*			trans	-91.7	162	158.2	35	-32	0	0	0	113
287	R	26.2	Very low	28.2	Very low	240 Å²	240	154.3 Å²	154.3	91%	0.906	79%	0.785	S	S	*	*			trans	-132	146.5	-177.7	-167.8	179.8	-170.9	175.3	1.3	109.6
288	R	26.2	Very low	28.2	Very low	228 Å²	228	152.7 Å²	152.7	86%	0.86	79%	0.789	S	S	*	*			trans	-55	138.6	175.5	-81.5	-180	170.2	162.6	-4.4	112.5
289	T	26.4	Very low	28.2	Very low	142 Å²	142	151.1 Å²	151.1	87%	0.871	79%	0.791	S	S	*	*			trans	-149.4	167.7	133.4	5.3	0	0	0	0	110.3
290	H	28.3	Very low	28.3	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.796	80%	0.797	S	S	*	*			trans	-100.3	143	-162.7	-67	-128.7	0	0	0	113.7
291	S	27.6	Very low	28.3	Very low	123 Å²	123	154.6 Å²	154.6	86%	0.86	80%	0.801	S	S	*	*				-166.3	140.7	127	38.5	0	0	0	0	112.1
292	K	26.9	Very low	28.3	Very low	199 Å²	199	152.2 Å²	152.2	87%	0.865	80%	0.803	S	S	*	*			trans	-96.1	168.5	158.6	-78.8	-174.9	176.6	-176.6	0	106.9
293	P	35.7	Very low	28.3	Very low	108 Å²	108	150.3 Å²	150.3	70%	0.701	80%	0.803	S	S	*	*			cis	-144.2	-169.2	22.7	45.6	-26.7	0	0	0	116.6
294	L	25	Very low	28.3	Very low	152 Å²	152	143.8 Å²	143.8	80%	0.796	80%	0.801	S	S	*	*			trans	59.2	105.7	160.5	-66.3	165.1	0	0	0	117.2
295	S	25.8	Very low	28.4	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	81%	0.807	S	S	*	*				72.6	142.5	75.3	-61.5	0	0	0	0	114.2
296	P	47	Very low	28.5	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	79%	0.794	S	S	*	*			trans	-108.6	-178.8	-143.7	42	-36.8	0	0	0	114.4
297	L	25.8	Very low	28.4	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	79%	0.791	S	S	*	*			trans	-174.7	137.4	137.3	-101	166.6	0	0	0	112.4
298	T	25.9	Very low	28.5	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	78%	0.784	S	S	*	*			trans	44.7	153	147	52.8	0	0	0	0	123.7
299	A	27.1	Very low	28.7	Very low	77 Å²	77	131.6 Å²	131.6	64%	0.636	78%	0.776	S	S	*	*			cis	-179.9	160.7	-22.3	0	0	0	0	0	110.7
300	K	28.4	Very low	28.9	Very low	203 Å²	203	130.3 Å²	130.3	88%	0.883	77%	0.768	S	S	*	*			trans	67.6	156.7	162	-72.4	174.2	176.6	177.2	0	116.3
301	S	27	Very low	29.1	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	77%	0.773	S	S	*	*			cis	-152.9	162.3	1.1	-145	0	0	0	0	113
302	A	27.8	Very low	29.1	Very low	104 Å²	104	129.2 Å²	129.2	86%	0.86	77%	0.77	S	S	*	*			trans	62.7	155.7	160.6	0	0	0	0	0	118.7
303	G	25.8	Very low	29.1	Very low	77 Å²	77	123.8 Å²	123.8	79%	0.794	77%	0.771	S	S	*	*			cis	160.2	143	-10.3	0	0	0	0	0	113.3
304	G	26.7	Very low	28.7	Very low	75 Å²	75	122.4 Å²	122.4	77%	0.773	78%	0.777	S	S	*	*			trans	107.2	135	-176.3	0	0	0	0	0	112.2
305	R	27.3	Very low	28.9	Very low	236 Å²	236	118.6 Å²	118.6	89%	0.891	77%	0.774	S	S	*	*			cis	79.6	125.8	32.8	-160.6	-175.2	-169	-138.7	-5	112
306	L	31.2	Very low	28.9	Very low	110 Å²	110	122.8 Å²	122.8	58%	0.576	78%	0.781	S	S	*	*			cis	-176.6	153.8	-8.8	175.8	74.1	0	0	0	108.8
307	E	28.8	Very low	28.2	Very low	155 Å²	155	121.1 Å²	121.1	72%	0.724	78%	0.777	S	S	*	*			trans	61.8	171.6	160.9	-82.7	151.5	-149.7	0	0	117.7
308	T	28.7	Very low	28.5	Very low	122 Å²	122	122.3 Å²	122.3	75%	0.748	78%	0.781	S	S	*	*			cis	-154.3	163.4	8.6	-15.3	0	0	0	0	112.4
309	S	28.6	Very low	28.9	Very low	100 Å²	100	123.8 Å²	123.8	70%	0.699	78%	0.784	S	S	*	*			trans	69.1	144.1	147.1	-154.7	0	0	0	0	120.3
310	V	30.9	Very low	29.2	Very low	116 Å²	116	127.7 Å²	127.7	70%	0.703	79%	0.794	S	S	*	*			cis	133.2	126.6	-13.9	166.9	0	0	0	0	113.3
311	Q	32.7	Very low	29.4	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	79%	0.792	S	S	*	*			trans	69.9	154.8	157.6	-82.6	169.2	-19.2	0	0	124.6
312	G	27.7	Very low	29.8	Very low	77 Å²	77	127.7 Å²	127.7	79%	0.794	79%	0.791	S	S	*	*			trans	97.8	128.9	169.7	0	0	0	0	0	115.1
313	G	27.4	Very low	30	Very low	86 Å²	86	127.5 Å²	127.5	89%	0.887	79%	0.79	S	S	*	*			cis	89.9	127.4	2.6	0	0	0	0	0	113.7
314	G	27.7	Very low	30.3	Very low	79 Å²	79	128.3 Å²	128.3	81%	0.814	79%	0.789	S	S	*	*			cis	175.7	172.3	-4.3	0	0	0	0	0	112.7
315	G	28.4	Very low	30.6	Very low	71 Å²	71	130 Å²	130	73%	0.732	80%	0.796	S	S	*	*			trans	75.3	175.9	178.3	0	0	0	0	0	115.6
316	H	26.4	Very low	30.6	Very low	197 Å²	197	122.2 Å²	122.2	91%	0.912	79%	0.789	S	S	*	*			cis	177.4	135.8	-28.7	-110.6	-54.4	0	0	0	107.6
317	A	31.2	Very low	30.4	Very low	85 Å²	85	122.2 Å²	122.2	70%	0.702	80%	0.798	S	S	*	*			trans	151	137.8	135.3	0	0	0	0	0	117
318	M	33.4	Very low	30.6	Very low	174 Å²	174	122.1 Å²	122.1	86%	0.857	80%	0.802	S	S	*	*			trans	64.1	91.9	138.7	-66.6	167.2	178.1	0	0	122.4
319	N	32.8	Very low	30.6	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	80%	0.8	S	S	*	*				30.7	128.5	116.1	-57.4	-9.4	0	0	0	122
320	D	33.8	Very low	30.6	Very low	159 Å²	159	128.3 Å²	128.3	85%	0.85	81%	0.806	S	S	*	*				-168.2	173.9	124.6	-110.9	-19.1	0	0	0	110.3
321	R	32.8	Very low	30.4	Very low	220 Å²	220	128 Å²	128	83%	0.83	81%	0.809	S	S	*	*				-152.4	119.9	-73.4	170.3	178.5	177.9	103.8	2	111.6
322	A	35.2	Very low	30.4	Very low	90 Å²	90	130 Å²	130	74%	0.744	81%	0.808	S	S	*	*			trans	72.3	152.5	151.7	0	0	0	0	0	123.1
323	A	31.7	Very low	30.3	Very low	101 Å²	101	133.1 Å²	133.1	84%	0.835	81%	0.807	S	S	*	*			trans	72.5	148.7	153.8	0	0	0	0	0	120.5
324	A	33.4	Very low	30.6	Very low	93 Å²	93	135.7 Å²	135.7	77%	0.769	80%	0.8	S	S	*	*			cis	-163.7	151.7	-27.1	0	0	0	0	0	111.3
325	A	31.9	Very low	30.7	Very low	110 Å²	110	140.1 Å²	140.1	91%	0.909	80%	0.799	S	S	*	*			trans	13.7	141	158.8	0	0	0	0	0	123.1
326	G	28.7	Very low	30.7	Very low	74 Å²	74	146.2 Å²	146.2	76%	0.763	81%	0.809	S	S	*	*			trans	158.6	94.5	142.2	0	0	0	0	0	121.5
327	S	26.5	Very low	30.9	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	80%	0.802	S	S	*	*			trans	60.4	99.4	131.1	-163.4	0	0	0	0	124.3
328	L	33.3	Very low	30.8	Very low	153 Å²	153	142 Å²	142	80%	0.801	81%	0.808	S	S	*	*				57.2	147.9	119.5	-67.8	169.8	0	0	0	125.7
329	D	29.1	Very low	30.6	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	81%	0.807	S	S	*	*			trans	69.9	165.2	147.8	-87.8	-2.1	0	0	0	121.3
330	R	27.5	Very low	30.5	Very low	220 Å²	220	137.3 Å²	137.3	83%	0.83	81%	0.805	S	S	*	*			cis	176.5	122.5	-37.3	171.3	-174.9	-175.2	100.6	1.9	112.8
331	S	26.3	Very low	30.2	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	80%	0.798	S	S	*	*			trans	-162.9	137.2	164.8	30.8	0	0	0	0	109.4
332	R	32.4	Very low	29.8	Very low	235 Å²	235	134.3 Å²	134.3	89%	0.887	80%	0.795	S	S	*	*				68.8	147.3	58.4	-82.2	-173.3	161.1	171.2	-6	114.1
333	N	27.3	Very low	29.4	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	80%	0.802	S	S	*	*			cis	173.7	176.2	-35.1	-118.4	-1.3	0	0	0	108
334	L	32.9	Very low	29.1	Very low	140 Å²	140	133.3 Å²	133.3	73%	0.733	80%	0.803	S	S	*	*			trans	73.6	134.1	178.7	-79.9	66.6	0	0	0	113.5
335	E	30.2	Very low	28.8	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.804	80%	0.801	S	S	*	*			cis	86.8	123.4	44.2	-73.6	-172.2	109.3	0	0	114.1
336	E	29	Very low	28.7	Very low	200 Å²	200	132.7 Å²	132.7	94%	0.935	80%	0.796	S	S	*	*				-162.4	179.3	116.2	-128.8	-178.4	125.8	0	0	111.5
337	A	30.6	Very low	28.8	Very low	92 Å²	92	136 Å²	136	76%	0.76	80%	0.797	S	S	*	*			trans	-140.4	167.5	-171.7	0	0	0	0	0	112.8
338	A	28.1	Very low	28.9	Very low	100 Å²	100	139 Å²	139	83%	0.826	80%	0.799	S	S	*	*			trans	-160.3	162.6	165.2	0	0	0	0	0	112.2
339	T	28.6	Very low	28.7	Very low	137 Å²	137	137.9 Å²	137.9	84%	0.84	80%	0.798	S	S	*	*			trans	-143	140	-172.5	52.4	0	0	0	0	114.9
340	A	31.4	Very low	28.5	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	80%	0.798	S	S	*	*			trans	75.6	162.2	144.6	0	0	0	0	0	122
341	E	26.8	Very low	28.4	Very low	154 Å²	154	132.2 Å²	132.2	72%	0.72	79%	0.792	S	S	*	*			trans	84.2	118.3	161.6	-66.5	-75.1	69.2	0	0	123.4
342	Q	25.9	Very low	28.6	Very low	161 Å²	161	132.4 Å²	132.4	75%	0.752	79%	0.793	S	S	*	*			trans	18.7	108.8	143.9	-62.9	174.2	67.1	0	0	122.9
343	G	25	Very low	28.9	Very low	88 Å²	88	126.5 Å²	126.5	91%	0.907	79%	0.785	S	S	*	*				60.9	125.3	104.3	0	0	0	0	0	123.4
344	G	26.6	Very low	29.4	Very low	83 Å²	83	126 Å²	126	86%	0.856	79%	0.787	S	S	*	*			trans	156.9	144.7	157.9	0	0	0	0	0	115.9
345	G	26.9	Very low	29.8	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	79%	0.785	S	S	*	*			trans	102.5	113.8	177.2	0	0	0	0	0	113.7
346	C	29.1	Very low	29.6	Very low	120 Å²	120	126.4 Å²	126.4	81%	0.811	79%	0.785	S	S	*	*				68.1	122.1	57.1	-57.1	0	0	0	0	112.2
347	D	30.9	Very low	29.5	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	78%	0.778	S	S	*	*			cis	-144.9	-179.3	-3.3	-77.1	-46.3	0	0	0	107.4
348	Q	29.2	Very low	29.3	Very low	172 Å²	172	133 Å²	133	80%	0.804	78%	0.783	S	S	*	*			cis	-167.9	124.1	34.9	-171.1	166.3	92.6	0	0	112.7
349	V	29.4	Very low	29.1	Very low	128 Å²	128	133.7 Å²	133.7	78%	0.776	78%	0.777	S	S	*	*			trans	51.9	124.1	140.6	179.7	0	0	0	0	119.9
350	D	24.6	Very low	28.8	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	77%	0.774	S	S	*	*			cis	-166.6	165.4	-16	-138.5	-63.4	0	0	0	113.1
351	S	26.1	Very low	28.5	Very low	101 Å²	101	133 Å²	133	71%	0.706	77%	0.765	S	S	*	*			trans	58	92.1	149.8	-69.8	0	0	0	0	120.3
352	S	29.7	Very low	28.4	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	77%	0.77	S	S	*	*			trans	-45.1	164	147.4	-27.1	0	0	0	0	112.9
353	P	37.9	Very low	28.3	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	77%	0.774	S	S	*	*				-158	167.2	77.4	42.9	-23.3	0	0	0	119.2
354	V	39.4	Very low	28.4	Very low	134 Å²	134	138.8 Å²	138.8	81%	0.812	77%	0.766	S	S	*	*			trans	-52.1	136.4	150	172.6	0	0	0	0	111.4
355	P	39.5	Very low	28.3	Very low	105 Å²	105	140.7 Å²	140.7	68%	0.682	76%	0.761	S	S	*	*			trans	-148.8	136	132.6	33.6	-15.2	0	0	0	117.8
356	R	27.8	Very low	29.2	Very low	215 Å²	215	142.5 Å²	142.5	81%	0.811	76%	0.76	S	S	*	*				15	156.7	125.9	-53.2	174.6	173.3	150.5	-6.5	121.5
357	Y	26.7	Very low	29	Very low	201 Å²	201	143.6 Å²	143.6	79%	0.788	76%	0.757	S	S	*	*			trans	108.8	151.9	131.6	-95.4	-59.2	0	0	0	121.4
358	R	25.4	Very low	28.9	Very low	230 Å²	230	144.1 Å²	144.1	87%	0.868	76%	0.759	S	S	*	*			trans	81.1	132	174.7	-58.6	-179.8	-179.1	169.3	1.3	115.2
359	V	23.9	Very low	29.6	Very low	114 Å²	114	141.1 Å²	141.1	69%	0.691	76%	0.755	S	S	*	*			cis	85.3	131.8	23.4	-176.1	0	0	0	0	114.4
360	N	23	Very low	31	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	75%	0.751	S	S	*	*			trans	75.9	147.5	171.8	-75.9	-24.1	0	0	0	117.4
361	A	24.9	Very low	32.2	Very low	71 Å²	71	138.8 Å²	138.8	59%	0.587	75%	0.75	S	S	*	*			cis	-168.4	144.4	-8.6	0	0	0	0	0	115.9
362	K	23.6	Very low	32.5	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.826	75%	0.751	S	S	*	*			trans	65.8	159.2	136.3	-64.3	171	-176.5	179.6	0	121.3
363	K	25.4	Very low	32.8	Very low	190 Å²	190	140.8 Å²	140.8	83%	0.826	75%	0.747	S	S	*	*			trans	74.6	137.9	170.2	-72.6	-164.1	163.5	-172.9	0	115.8
364	L	26	Very low	32.6	Very low	144 Å²	144	141.5 Å²	141.5	75%	0.754	75%	0.745	S	S	*	*			cis	-149.2	136.1	-1.3	-103.5	156.6	0	0	0	111.3
365	T	25	Very low	32.4	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	74%	0.742	S	S	*	*			trans	-81.8	171.4	140.7	29.7	0	0	0	0	109.1
366	P	46.6	Very low	32	Very low	108 Å²	108	143.7 Å²	143.7	70%	0.701	74%	0.743	S	S	*	*			cis	-116.1	-169.4	5	32.5	-9.8	0	0	0	111
367	L	24.6	Very low	32.2	Very low	143 Å²	143	137.8 Å²	137.8	75%	0.749	74%	0.735	S	S	*	*				-153.7	133.2	51.4	-74.3	162.8	0	0	0	109.3
368	L	28.8	Very low	32.3	Very low	155 Å²	155	133.6 Å²	133.6	81%	0.812	73%	0.731	S	S	*	*				84.7	137.5	80.8	-130.2	138.4	0	0	0	112.4
369	P	43	Very low	32.7	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	73%	0.726	S	S	*	*			trans	-117.3	-118.2	-145.7	24.1	0.5	0	0	0	116.5
370	P	58.6	Low	32.8	Very low	108 Å²	108	130.2 Å²	130.2	70%	0.701	73%	0.725	S	S	*	*				-103.1	-160.5	-112.9	36.8	-20.9	0	0	0	112.6
371	P	49.8	Very low	33	Very low	105 Å²	105	127.4 Å²	127.4	68%	0.682	72%	0.717	S	S	*	*				-154.7	152	87.5	37	-16.6	0	0	0	118.8
372	L	33.1	Very low	33.2	Very low	141 Å²	141	128.9 Å²	128.9	74%	0.738	72%	0.723	S	S	*	*			trans	61.9	157	142.2	-61.8	169.6	0	0	0	119
373	T	36.1	Very low	33.4	Very low	116 Å²	116	126.4 Å²	126.4	71%	0.712	72%	0.724	S	S	*	*			cis	-159.4	173.4	10.1	9.8	0	0	0	0	106.5
374	D	32.6	Very low	33.4	Very low	125 Å²	125	120.7 Å²	120.7	67%	0.668	72%	0.718	S	S	*	*			cis	173.4	155.4	-30.7	-90.2	7	0	0	0	104.8
375	M	36.6	Very low	33.4	Very low	152 Å²	152	119.2 Å²	119.2	75%	0.749	72%	0.72	S	S	*	*			cis	-133.5	170.7	1.6	-85.4	-140.4	110.5	0	0	108
376	D	30.4	Very low	33.4	Very low	133 Å²	133	120.2 Å²	120.2	71%	0.711	72%	0.72	S	S	*	*			cis	76.6	144.3	41.7	-134.6	23.3	0	0	0	114.1
377	S	32.5	Very low	32.5	Very low	91 Å²	91	122.1 Å²	122.1	64%	0.636	72%	0.724	S	S	*	*			cis	-141.3	-178.5	-1.9	53.4	0	0	0	0	107.6
378	T	28.8	Very low	32.6	Very low	113 Å²	113	123.8 Å²	123.8	69%	0.693	73%	0.725	S	S	*	*			cis	-151.9	167.3	8.6	45.6	0	0	0	0	106.5
379	L	33	Very low	32.6	Very low	147 Å²	147	123.2 Å²	123.2	77%	0.77	73%	0.728	S	S	*	*			cis	-169.2	-179.7	-13.4	-98.5	169.5	0	0	0	104.2
380	D	26.3	Very low	31.8	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	73%	0.729	S	S	*	*			cis	-148.1	-149.6	6.9	-149.5	-58	0	0	0	110.1
381	S	27.7	Very low	30.5	Very low	86 Å²	86	125.4 Å²	125.4	60%	0.601	73%	0.728	S	S	*	*			trans	-94.8	144.9	-168.2	-51	0	0	0	0	112.3
382	S	28.7	Very low	29.5	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	73%	0.732	S	S	*	*			cis	66.5	119.1	42.1	100.9	0	0	0	0	111.6
383	T	27.7	Very low	29.2	Very low	139 Å²	139	130 Å²	130	85%	0.853	74%	0.74	S	S	*	*				-170.9	178.3	71.3	40	0	0	0	0	109.3
384	G	25.8	Very low	28.6	Very low	69 Å²	69	128 Å²	128	71%	0.711	74%	0.742	S	S	*	*			cis	141.9	101.4	-7.2	0	0	0	0	0	114.6
385	S	26	Very low	28.2	Very low	113 Å²	113	126 Å²	126	79%	0.79	75%	0.751	S	S	*	*			trans	83.9	150	151	-145.6	0	0	0	0	122.6
386	L	24.7	Very low	27.6	Very low	144 Å²	144	122.4 Å²	122.4	75%	0.754	75%	0.754	S	S	*	*			trans	75	141.1	147.6	-85.7	163.3	0	0	0	124.1
387	L	27.4	Very low	27.4	Very low	147 Å²	147	120.3 Å²	120.3	77%	0.77	75%	0.754	S	S	*	*			trans	62.5	131.4	160.7	-58.3	167.7	0	0	0	117.4
388	K	27.7	Very low	27	Very low	179 Å²	179	125 Å²	125	78%	0.778	76%	0.764	S	S	*	*			cis	71.9	90.3	24.8	-164.3	179.7	-179.9	172.2	0	116.2
389	T	28.9	Very low	26.8	Very low	142 Å²	142	126 Å²	126	87%	0.871	77%	0.765	S	S	*	*			trans	-151.1	160.3	145.7	18.9	0	0	0	0	110.9
390	N	25.8	Very low	26.6	Very low	136 Å²	136	124.8 Å²	124.8	73%	0.727	76%	0.763	S	S	*	*			trans	-109.6	168.8	-173.9	-78.7	0.7	0	0	0	112.7
391	N	30.4	Very low	26.6	Very low	127 Å²	127	126 Å²	126	68%	0.679	77%	0.769	S	S	*	*			trans	79.4	107.6	145.5	-69.2	-3.3	0	0	0	122
392	H	29.3	Very low	26.5	Very low	169 Å²	169	126.4 Å²	126.4	78%	0.782	77%	0.772	S	S	*	*				70.4	165.9	124.5	-73.3	-73.9	0	0	0	122
393	I	26.5	Very low	27.3	Very low	173 Å²	173	126.6 Å²	126.6	89%	0.887	77%	0.771	S	S	*	*			trans	78.3	132.7	-177.9	-50.9	162.7	0	0	0	113.2
394	G	24.2	Very low	27.4	Very low	74 Å²	74	130 Å²	130	76%	0.763	77%	0.769	S	S	*	*			cis	148	124.9	-14.6	0	0	0	0	0	115.3
395	G	23.3	Very low	27.6	Very low	83 Å²	83	133.3 Å²	133.3	86%	0.856	77%	0.768	S	S	*	*			trans	91.1	159.1	164.6	0	0	0	0	0	117.2
396	G	23.6	Very low	27.7	Very low	78 Å²	78	137 Å²	137	80%	0.804	77%	0.767	S	S	*	*			trans	79.1	104.2	176.1	0	0	0	0	0	114.4
397	A	26.4	Very low	27.9	Very low	88 Å²	88	134.3 Å²	134.3	73%	0.727	76%	0.76	S	S	*	*			cis	98.1	145.3	22	0	0	0	0	0	115.7
398	F	25	Very low	27.8	Very low	191 Å²	191	134.5 Å²	134.5	84%	0.838	76%	0.761	S	S	*	*			trans	89.5	138.6	169.9	-69.8	-79	0	0	0	122
399	N	25	Very low	27.9	Very low	133 Å²	133	130.6 Å²	130.6	71%	0.711	76%	0.757	S	S	*	*			trans	73.5	124.7	158.3	-63.3	-8.6	0	0	0	118.7
400	V	29.1	Very low	28.1	Very low	121 Å²	121	131.6 Å²	131.6	73%	0.733	76%	0.756	S	S	*	*				78.3	126.6	53.4	172.9	0	0	0	0	109.5
401	D	24.7	Very low	29.2	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	76%	0.755	S	S	*	*			cis	-141.7	178.1	33.7	-141.8	-28.5	0	0	0	116.5
402	S	27.1	Very low	30.1	Very low	95 Å²	95	129.9 Å²	129.9	66%	0.664	76%	0.759	S	S	*	*			trans	-87.5	-179.1	166.5	-135.9	0	0	0	0	110.5
403	P	44.4	Very low	30	Very low	106 Å²	106	126.9 Å²	126.9	69%	0.688	76%	0.757	S	S	*	*				-159.3	155.8	52.8	41.9	-18.8	0	0	0	121.1
404	R	31.4	Very low	30.2	Very low	211 Å²	211	123.1 Å²	123.1	80%	0.796	75%	0.752	S	S	*	*			trans	65.3	162.4	140.7	-75.5	174.8	175.9	160.5	-0.6	119.1
405	I	29.8	Very low	30.3	Very low	138 Å²	138	123.6 Å²	123.6	71%	0.708	75%	0.749	S	S	*	*			cis	-147.9	135.9	13.5	-129	146.7	0	0	0	111.8
406	Y	27.4	Very low	30.5	Very low	192 Å²	192	126.5 Å²	126.5	75%	0.753	75%	0.749	S	S	*	*			trans	32.8	155.7	142.6	-66.7	-107.7	0	0	0	124.3
407	S	28.3	Very low	30.7	Very low	87 Å²	87	126.7 Å²	126.7	61%	0.608	74%	0.743	S	S	*	*			cis	179.7	176.9	-23	-95.4	0	0	0	0	112.7
408	N	26.3	Very low	30.6	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	75%	0.748	S	S	*	*			trans	97.4	122.2	164.8	-56.1	-15.8	0	0	0	115.7
409	S	29.4	Very low	30.6	Very low	97 Å²	97	122.1 Å²	122.1	68%	0.678	74%	0.741	S	S	*	*			cis	88.6	141	39.3	80.8	0	0	0	0	113
410	L	32.1	Very low	30.6	Very low	162 Å²	162	121 Å²	121	85%	0.848	74%	0.743	S	S	*	*			cis	-145	179.2	31.1	-87.1	169.6	0	0	0	113.6
411	P	50.6	Low	30.5	Very low	109 Å²	109	121.2 Å²	121.2	71%	0.708	75%	0.75	S	S	*	*			trans	-103.9	-156.9	-171.7	46.2	-38.7	0	0	0	113.1
412	P	48.2	Very low	30.7	Very low	118 Å²	118	120.6 Å²	120.6	77%	0.766	75%	0.746	S	S	*	*				-135.1	-168.5	55	46.5	-29.4	0	0	0	112.5
413	S	26.4	Very low	30.7	Very low	107 Å²	107	126.2 Å²	126.2	75%	0.748	75%	0.753	S	S	*	*			cis	-156.8	161.3	2.5	-151.6	0	0	0	0	111.9
414	A	30.7	Very low	30	Very low	94 Å²	94	128 Å²	128	78%	0.777	76%	0.755	S	S	*	*			trans	42.9	140.5	143.7	0	0	0	0	0	122.7
415	A	28	Very low	29.9	Very low	84 Å²	84	123.3 Å²	123.3	69%	0.694	75%	0.746	S	S	*	*			cis	-169.7	144.9	-8.1	0	0	0	0	0	112.7
416	V	26.9	Very low	30	Very low	144 Å²	144	124.4 Å²	124.4	87%	0.873	75%	0.748	S	S	*	*			trans	62	138.1	131	171	0	0	0	0	120.5
417	A	27.2	Very low	30.1	Very low	81 Å²	81	119.3 Å²	119.3	67%	0.669	75%	0.746	S	S	*	*			cis	-171.6	166.9	-21.5	0	0	0	0	0	110.3
418	A	25.5	Very low	30.1	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	75%	0.752	S	S	*	*			trans	65.7	159.9	149.9	0	0	0	0	0	118.9
419	A	23.4	Very low	30.3	Very low	83 Å²	83	123.5 Å²	123.5	69%	0.686	76%	0.755	S	S	*	*			cis	-171.8	174.8	-33.4	0	0	0	0	0	107.5
420	S	26.4	Very low	30.1	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	77%	0.765	S	S	*	*			trans	54.9	97.4	168.2	59.8	0	0	0	0	117.4
421	S	25.6	Very low	30.1	Very low	127 Å²	127	121.3 Å²	121.3	89%	0.888	76%	0.757	S	S	*	*			trans	-94.4	141.1	136.8	54.3	0	0	0	0	108.2
422	L	29.9	Very low	29.1	Very low	138 Å²	138	120.4 Å²	120.4	72%	0.723	75%	0.754	S	S	*	*			trans	-142	127.2	-176.8	-142.1	169.1	0	0	0	108.4
423	R	27.3	Very low	28.1	Very low	212 Å²	212	121.2 Å²	121.2	80%	0.8	75%	0.752	S	S	*	*			trans	81	126.1	-176.6	-53.1	-177.5	-177.1	154.1	3.4	113.2
424	I	28.4	Very low	28.4	Very low	145 Å²	145	123.7 Å²	123.7	74%	0.744	75%	0.751	S	S	*	*				73.6	118.5	53.8	-63	165.1	0	0	0	108.5
425	N	30.1	Very low	28.3	Very low	112 Å²	112	123.8 Å²	123.8	60%	0.599	74%	0.742	S	S	*	*			cis	-157.8	154.4	21.6	-129	-5.5	0	0	0	115.5
426	H	32	Very low	28.5	Very low	160 Å²	160	129 Å²	129	74%	0.741	75%	0.745	S	S	*	*			trans	58.2	155.8	156.2	-54.9	-46.3	0	0	0	120
427	A	29.5	Very low	28.7	Very low	86 Å²	86	128.3 Å²	128.3	71%	0.711	74%	0.736	S	S	*	*			cis	-143.1	142.8	5.9	0	0	0	0	0	114.7
428	N	28.1	Very low	28.6	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	74%	0.738	S	S	*	*			trans	37.4	103.6	145.2	-58.8	-2.9	0	0	0	122.9
429	H	31.8	Very low	28.6	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.856	73%	0.729	S	S	*	*				54.3	97.9	128.6	-71.1	-75	0	0	0	122
430	T	24.4	Very low	29	Very low	147 Å²	147	133.4 Å²	133.4	90%	0.902	72%	0.722	S	S	*	*			trans	-83.1	117.5	150.1	-59.2	0	0	0	0	111.8
431	G	32.8	Very low	29	Very low	66 Å²	66	138.8 Å²	138.8	68%	0.68	73%	0.727	S	S	*	*			trans	61.4	-162.6	136	0	0	0	0	0	121.9
432	S	29.2	Very low	29.4	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	72%	0.721	S	S	*	*			trans	66.4	141.7	-169.9	-127.5	0	0	0	0	115.2
433	N	27.1	Very low	29.4	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	72%	0.724	S	S	*	*			cis	-123.2	150.1	13.2	-69.7	-76.4	0	0	0	109.7
434	H	31.4	Very low	29.9	Very low	159 Å²	159	136.7 Å²	136.7	74%	0.736	72%	0.72	S	S	*	*				49.7	139.4	70.9	-65.2	-79.5	0	0	0	112.1
435	T	28.7	Very low	29.8	Very low	95 Å²	95	139.2 Å²	139.2	58%	0.583	73%	0.725	S	S	*	*			cis	-166.4	165.5	33.6	-29.2	0	0	0	0	113.2
436	Y	32.5	Very low	29.8	Very low	195 Å²	195	141.6 Å²	141.6	77%	0.765	74%	0.737	S	S	*	*			trans	90.8	133.6	155.6	-67.1	-69.8	0	0	0	118
437	L	31.4	Very low	29.8	Very low	129 Å²	129	138.3 Å²	138.3	68%	0.675	73%	0.732	S	S	*	*			cis	-155.8	146.5	-21.3	-151.1	56.9	0	0	0	105.1
438	K	25.2	Very low	30.1	Very low	166 Å²	166	141.8 Å²	141.8	72%	0.722	73%	0.734	S	S	*	*				51.5	144.7	58.9	-91.9	-168.9	174.2	-179.8	0	112.7
439	N	26.5	Very low	30.8	Very low	119 Å²	119	140 Å²	140	64%	0.636	73%	0.729	S	S	*	*			cis	-159.2	161.8	-21.9	-136.1	39	0	0	0	111.1
440	T	31.1	Very low	31.3	Very low	86 Å²	86	137.8 Å²	137.8	53%	0.528	72%	0.72	S	S	.	*			trans	3.2	148.1	144.1	64.1	0	0	0	0	119.9
441	Y	25.9	Very low	32.3	Very low	222 Å²	222	136.8 Å²	136.8	87%	0.871	71%	0.705	S	S	*	*			trans	-122.1	86.4	132.5	-108.1	-90.3	0	0	0	112.3
442	N	34.4	Very low	32.9	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	71%	0.711	S	S	*	*			trans	-111.3	135.3	155.5	-95.2	-13.7	0	0	0	107.6
443	K	29.4	Very low	33.5	Very low	180 Å²	180	142.2 Å²	142.2	78%	0.783	71%	0.705	S	S	*	*			trans	-157.2	151.7	162.6	-88.6	-159.9	178.6	-177.6	0	110.1
444	P	38.6	Very low	34.4	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	70%	0.697	S	S	*	*			cis	-138.2	154.5	-25.7	38	-22.1	0	0	0	114.8
445	K	26.7	Very low	35	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.857	70%	0.697	S	S	*	*			trans	-178.4	121.6	155.9	-97.8	150	-173.7	-176.2	0	104.5
446	L	29.6	Very low	35.8	Very low	162 Å²	162	143.2 Å²	143.2	85%	0.848	70%	0.702	S	S	*	*				53.9	117.7	50.1	-114.1	96.9	0	0	0	112.1
447	S	32	Very low	36.1	Very low	92 Å²	92	142 Å²	142	64%	0.643	70%	0.701	S	S	*	*			cis	-171.5	147.2	-14.7	34.5	0	0	0	0	107.6	P449	S447-P449 WeakPolarHBondContact O-CD 3.3Å
448	E	35	Very low	36.5	Very low	159 Å²	159	142.9 Å²	142.9	74%	0.743	70%	0.7	S	S	*	*			trans	-62.1	129.8	178.4	-67.7	151.1	103.6	0	0	112
449	P	42.7	Very low	37.1	Very low	101 Å²	101	145.9 Å²	145.9	66%	0.656	71%	0.706	S	S	*	*				-136.4	29.9	119.6	40.8	-31.7	0	0	0	112.8	S447	S447-P449 WeakPolarHBondContact O-CD 3.3Å
450	E	42.4	Very low	37.5	Very low	139 Å²	139	148.6 Å²	148.6	65%	0.65	72%	0.715	S	S	*	*	S	Bend	trans	-92.1	-26.9	-176.3	-70.9	-169.8	119.4	0	0	114.8	E452 L453 L454	E450-E452 PolarHBondContact O-N 3.5Å; E450-L453 PolarHBondContact O-N 2.86Å; E450-L454 HydrophobicContact CB-CD1 4.35Å; E450-L454 WeakPolarHBondContact O-CB 3.29Å; E450-L454 VanDerWaalsContact O-CG 3.3Å; E450-L454 WeakPolarHBondContact O-CG 3.19Å; E450-L454 PolarHBondContact O-N 3.44Å
451	E	45.9	Very low	37.8	Very low	127 Å²	127	151.7 Å²	151.7	59%	0.593	72%	0.724	S	S	*	*	H	α-helix	trans	-69	-35.5	-171	-63.6	-137.8	155.8	0	0	114.3	L454 Q455	E451-L454 PolarHBondContact O-N 3.37Å; E451-Q455 PolarHBondContact O-N 2.92Å
452	E	46.2	Very low	38.3	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	72%	0.715	S	S	*	*	H	α-helix	trans	-68.3	-38.5	173.1	-67.1	-168.2	133.7	0	0	111.8	E450 L454 Q455 Q456	E450-E452 PolarHBondContact O-N 3.5Å; E452-L454 VanDerWaalsContact C-N 3.35Å; E452-Q455 PolarHBondContact O-N 3.41Å; E452-Q456 PolarHBondContact O-N 3.49Å
453	L	41	Very low	38.1	Very low	98 Å²	98	144.3 Å²	144.3	51%	0.513	71%	0.71	S	S	.	*	H	α-helix	trans	-67.1	-36	173.9	-69.4	176.3	0	0	0	111.7	E450 Q456 F457	E450-L453 PolarHBondContact O-N 2.86Å; L453-Q456 PolarHBondContact O-N 3.08Å; L453-F457 WeakPolarHBondContact O-CD2 3.2Å; L453-F457 PolarHBondContact O-N 3.32Å
454	L	45.2	Very low	38.7	Very low	107 Å²	107	141 Å²	141	56%	0.56	71%	0.707	S	S	*	*	H	α-helix	trans	-67.9	-34.1	174.2	-73.9	169.3	0	0	0	112.1	E450 E451 E452 K458	E450-L454 HydrophobicContact CB-CD1 4.35Å; E450-L454 WeakPolarHBondContact O-CB 3.29Å; E450-L454 VanDerWaalsContact O-CG 3.3Å; E450-L454 WeakPolarHBondContact O-CG 3.19Å; E450-L454 PolarHBondContact O-N 3.44Å; E451-L454 PolarHBondContact O-N 3.37Å; E452-L454 VanDerWaalsContact C-N 3.35Å; L454-K458 WeakPolarHBondContact O-CB 3.5Å; L454-K458 PolarHBondContact O-N 3.38Å
455	Q	44.6	Very low	38.9	Very low	154 Å²	154	141.5 Å²	141.5	72%	0.72	71%	0.709	S	S	*	*	H	α-helix	trans	-69.2	-32.7	170.1	-71	-164.3	26.5	0	0	112.8	E451 E452	E451-Q455 PolarHBondContact O-N 2.92Å; E452-Q455 PolarHBondContact O-N 3.41Å
456	Q	45.1	Very low	39.7	Very low	150 Å²	150	134.6 Å²	134.6	70%	0.701	69%	0.693	S	S	*	*	H	α-helix	trans	-74	-43.2	176.6	-166.5	162.4	-10.8	0	0	112.3	E452 L453 R459	E452-Q456 PolarHBondContact O-N 3.49Å; L453-Q456 PolarHBondContact O-N 3.08Å; Q456-R459 PolarHBondContact O-N 3.01Å
457	F	38.5	Very low	40.1	Very low	170 Å²	170	132.3 Å²	132.3	75%	0.746	69%	0.691	S	S	*	*	H	α-helix	trans	-70	-28.5	174.8	-89.9	-79.5	0	0	0	113.5	L453 R459	L453-F457 WeakPolarHBondContact O-CD2 3.2Å; L453-F457 PolarHBondContact O-N 3.32Å; F457-R459 PolarHBondContact O-N 3.43Å
458	K	41	Very low	40.9	Very low	147 Å²	147	134 Å²	134	64%	0.639	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-76.5	-1.8	175.8	-162.8	163.6	-172	174.2	0	113.9	L454 E460	L454-K458 WeakPolarHBondContact O-CB 3.5Å; L454-K458 PolarHBondContact O-N 3.38Å; K458-E460 VanDerWaalsContact C-N 3.31Å
459	R	37.3	Very low	42	Very low	229 Å²	229	129.9 Å²	129.9	86%	0.864	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-84.7	1.8	173.4	-142.5	-172.8	-171.7	94.2	3	114.5	Q456 F457	Q456-R459 PolarHBondContact O-N 3.01Å; F457-R459 PolarHBondContact O-N 3.43Å
460	E	36	Very low	43.2	Very low	175 Å²	175	128.3 Å²	128.3	82%	0.818	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-112.4	17.8	174.3	-155.4	153.3	-146.4	0	0	113.4	K458 V462	K458-E460 VanDerWaalsContact C-N 3.31Å; E460-V462 PolarHBondContact O-N 3.3Å
461	E	35.4	Very low	44.5	Very low	152 Å²	152	127.9 Å²	127.9	71%	0.71	67%	0.669	S	S	*	*	S	Bend	trans	-69.6	85.1	156.3	-83.2	-171.3	-140.2	0	0	110.2
462	V	37.7	Very low	45.9	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.685	67%	0.666	S	S	*	*			trans	25.6	96.2	156.2	-172.2	0	0	0	0	116	E460 P464	E460-V462 PolarHBondContact O-N 3.3Å; V462-P464 VanDerWaalsContact O-CD 3.26Å; V462-P464 WeakPolarHBondContact O-CD 3.03Å; V462-P464 VanDerWaalsContact O-N 3.15Å
463	S	30.3	Very low	47.3	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	65%	0.654	S	S	*	*			trans	-53.3	116.9	158.2	-57.7	0	0	0	0	110	T465	S463-T465 PolarHBondContact O-N 3.01Å
464	P	41.1	Very low	49.3	Very low	110 Å²	110	124.3 Å²	124.3	71%	0.714	66%	0.656	S	S	*	*	S	Bend	trans	-77.7	26	-177.6	33.2	-36	0	0	0	113.1	V462	V462-P464 VanDerWaalsContact O-CD 3.26Å; V462-P464 WeakPolarHBondContact O-CD 3.03Å; V462-P464 VanDerWaalsContact O-N 3.15Å
465	T	43.2	Very low	51	Low	122 Å²	122	123.6 Å²	123.6	75%	0.748	65%	0.651	S	S	*	*	S	Bend	trans	-149.7	103.8	-174	25.7	0	0	0	0	108.8	S463	S463-T465 PolarHBondContact O-N 3.01Å
466	G	43.8	Very low	52.8	Low	51 Å²	51	122.8 Å²	122.8	53%	0.526	65%	0.645	S	S	.	*	S	Bend	trans	152	-80.7	178.6	0	0	0	0	0	113.1	F468 S469	G466-F468 VanDerWaalsContact C-N 3.33Å; G466-F468 PolarHBondContact O-N 3.41Å; G466-S469 PolarHBondContact O-N 3.08Å; G466-S469 PolarHBondContact O-OG 3.5Å
467	S	38.1	Very low	54.8	Low	115 Å²	115	121 Å²	121	80%	0.804	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-20.7	-168.9	-157	0	0	0	0	115.3	S469	S467-S469 VanDerWaalsContact C-N 3.29Å; S467-S469 PolarHBondContact O-N 3.09Å
468	F	48.2	Very low	57.1	Low	127 Å²	127	118.2 Å²	118.2	56%	0.557	63%	0.632	S	S	*	*	H	α-helix	trans	-70.4	-20.3	176.3	-73.3	-70.5	0	0	0	114	G466 Y472	G466-F468 VanDerWaalsContact C-N 3.33Å; G466-F468 PolarHBondContact O-N 3.41Å; F468-Y472 AromaticContact CD1-CE2 3.87Å; F468-Y472 HydrophobicContact CD1-CE2 3.87Å; F468-Y472 WeakPolarHBondContact O-CB 3.4Å; F468-Y472 WeakPolarHBondContact O-CD2 3.15Å; F468-Y472 PolarHBondContact O-N 3.27Å
469	S	58.9	Low	59.2	Low	73 Å²	73	114.5 Å²	114.5	51%	0.51	62%	0.622	S	S	.	*	H	α-helix	trans	-63.9	-49.4	-176.2	59.9	0	0	0	0	113.2	G466 S467 Y472 L473	G466-S469 PolarHBondContact O-N 3.08Å; G466-S469 PolarHBondContact O-OG 3.5Å; S467-S469 VanDerWaalsContact C-N 3.29Å; S467-S469 PolarHBondContact O-N 3.09Å; S469-Y472 PolarHBondContact O-N 3.49Å; S469-L473 VanDerWaalsContact O-CB 3.32Å; S469-L473 WeakPolarHBondContact O-CB 3.39Å; S469-L473 WeakPolarHBondContact O-CG 3.39Å; S469-L473 PolarHBondContact O-N 3.26Å
470	A	66.8	Low	61.4	Low	67 Å²	67	105.4 Å²	105.4	55%	0.554	60%	0.596	S	S	*	*	H	α-helix	trans	-67.6	-44.7	-170.1	0	0	0	0	0	113.5	Y472 L473 S474	A470-Y472 VanDerWaalsContact C-N 3.34Å; A470-L473 PolarHBondContact O-N 3.48Å; A470-S474 WeakPolarHBondContact O-CB 3.18Å; A470-S474 PolarHBondContact O-N 2.93Å
471	H	69.3	Low	63.9	Low	131 Å²	131	98.9 Å²	98.9	61%	0.606	57%	0.572	S	S	*	*	H	α-helix	trans	-68.5	-35.5	177.7	-167.9	-70.6	0	0	0	111.6	M475	H471-M475 VanDerWaalsContact O-CB 3.24Å; H471-M475 WeakPolarHBondContact O-CB 3.32Å; H471-M475 PolarHBondContact O-N 3.33Å
472	Y	75.7	Confident	66.3	Low	139 Å²	139	94.8 Å²	94.8	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-76.3	-31.9	178.3	-76.4	-118.5	0	0	0	111.7	F468 S469 A470 M475 F476	F468-Y472 AromaticContact CD1-CE2 3.87Å; F468-Y472 HydrophobicContact CD1-CE2 3.87Å; F468-Y472 WeakPolarHBondContact O-CB 3.4Å; F468-Y472 WeakPolarHBondContact O-CD2 3.15Å; F468-Y472 PolarHBondContact O-N 3.27Å; S469-Y472 PolarHBondContact O-N 3.49Å; A470-Y472 VanDerWaalsContact C-N 3.34Å; Y472-M475 HydrophobicContact CD1-CE 4.44Å; Y472-F476 WeakPolarHBondContact O-CA 3.26Å; Y472-F476 WeakPolarHBondContact O-CB 3.43Å; Y472-F476 PolarHBondContact O-N 2.86Å
473	L	76.9	Confident	68.4	Low	103 Å²	103	93.2 Å²	93.2	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-65.1	-46	168.2	-82.5	165.3	0	0	0	111.6	S469 A470 F476 L477	S469-L473 VanDerWaalsContact O-CB 3.32Å; S469-L473 WeakPolarHBondContact O-CB 3.39Å; S469-L473 WeakPolarHBondContact O-CG 3.39Å; S469-L473 PolarHBondContact O-N 3.26Å; A470-L473 PolarHBondContact O-N 3.48Å; L473-F476 PolarHBondContact O-N 3.33Å; L473-L477 WeakPolarHBondContact O-CB 3.46Å; L473-L477 VanDerWaalsContact O-CG 3.25Å; L473-L477 WeakPolarHBondContact O-CG 3.46Å; L473-L477 PolarHBondContact O-N 3.15Å
474	S	81.8	Confident	70.9	Confident	79 Å²	79	94.4 Å²	94.4	55%	0.552	54%	0.54	S	S	*	.	H	α-helix	trans	-61.9	-45.3	176.6	-179.2	0	0	0	0	111.6	A470 L477 L478	A470-S474 WeakPolarHBondContact O-CB 3.18Å; A470-S474 PolarHBondContact O-N 2.93Å; S474-L477 PolarHBondContact O-N 2.98Å; S474-L478 WeakPolarHBondContact O-CB 3.42Å; S474-L478 PolarHBondContact O-N 3.48Å
475	M	80.7	Confident	72.9	Confident	92 Å²	92	95.6 Å²	95.6	45%	0.453	53%	0.534	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176	-169	170.3	70	0	0	112.1	H471 Y472 L478 T479	H471-M475 VanDerWaalsContact O-CB 3.24Å; H471-M475 WeakPolarHBondContact O-CB 3.32Å; H471-M475 PolarHBondContact O-N 3.33Å; Y472-M475 HydrophobicContact CD1-CE 4.44Å; M475-L478 PolarHBondContact O-N 2.94Å; M475-T479 WeakPolarHBondContact O-CB 3.14Å; M475-T479 WeakPolarHBondContact O-CG2 3.41Å; M475-T479 PolarHBondContact O-N 3.22Å; M475-T479 PolarHBondContact O-OG1 2.94Å
476	F	83.3	Confident	74.6	Confident	137 Å²	137	94.8 Å²	94.8	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-47.8	174.3	180	-99.6	0	0	0	111.2	Y472 L473 L478 T479 A480	Y472-F476 WeakPolarHBondContact O-CA 3.26Å; Y472-F476 WeakPolarHBondContact O-CB 3.43Å; Y472-F476 PolarHBondContact O-N 2.86Å; L473-F476 PolarHBondContact O-N 3.33Å; F476-L478 VanDerWaalsContact C-N 3.34Å; F476-L478 PolarHBondContact O-N 2.81Å; F476-T479 WeakPolarHBondContact CA-OG1 3.25Å; F476-T479 PolarHBondContact O-N 3.44Å; F476-T479 PolarHBondContact O-OG1 2.8Å; F476-A480 WeakPolarHBondContact O-CB 3.26Å; F476-A480 PolarHBondContact O-N 3.36Å
477	L	86.4	Confident	76.1	Confident	113 Å²	113	94.8 Å²	94.8	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-62.1	-39.4	175.8	-71.2	170	0	0	0	112	L473 S474 A481	L473-L477 WeakPolarHBondContact O-CB 3.46Å; L473-L477 VanDerWaalsContact O-CG 3.25Å; L473-L477 WeakPolarHBondContact O-CG 3.46Å; L473-L477 PolarHBondContact O-N 3.15Å; S474-L477 PolarHBondContact O-N 2.98Å; L477-A481 VanDerWaalsContact O-CB 3.27Å; L477-A481 WeakPolarHBondContact O-CB 3.12Å; L477-A481 PolarHBondContact O-N 3.08Å
478	L	87.4	Confident	77.9	Confident	111 Å²	111	93.1 Å²	93.1	58%	0.581	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-46.5	174.6	-176.6	62.9	0	0	0	111.7	S474 M475 F476 A480 A481 C482	S474-L478 WeakPolarHBondContact O-CB 3.42Å; S474-L478 PolarHBondContact O-N 3.48Å; M475-L478 PolarHBondContact O-N 2.94Å; F476-L478 VanDerWaalsContact C-N 3.34Å; F476-L478 PolarHBondContact O-N 2.81Å; L478-A480 PolarHBondContact O-N 2.82Å; L478-A481 PolarHBondContact O-N 2.62Å; L478-C482 WeakPolarHBondContact O-CB 3.39Å; L478-C482 PolarHBondContact O-N 3.14Å; L478-C482 PolarHBondContact O-SG 2.85Å; L478-C482 VanDerWaalsContact O-SG 3.32Å
479	T	85.3	Confident	79.3	Confident	69 Å²	69	88.5 Å²	88.5	42%	0.423	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-36.1	176.3	56.2	0	0	0	0	112.5	M475 F476 C482 L483	M475-T479 WeakPolarHBondContact O-CB 3.14Å; M475-T479 WeakPolarHBondContact O-CG2 3.41Å; M475-T479 PolarHBondContact O-N 3.22Å; M475-T479 PolarHBondContact O-OG1 2.94Å; F476-T479 WeakPolarHBondContact CA-OG1 3.25Å; F476-T479 PolarHBondContact O-N 3.44Å; F476-T479 PolarHBondContact O-OG1 2.8Å; T479-C482 PolarHBondContact O-N 3.42Å; T479-L483 VanDerWaalsContact O-CB 3.31Å; T479-L483 WeakPolarHBondContact O-CB 3.34Å; T479-L483 VanDerWaalsContact O-CG 3.25Å; T479-L483 WeakPolarHBondContact O-CG 3.01Å; T479-L483 PolarHBondContact O-N 3.13Å
480	A	83.9	Confident	79.6	Confident	39 Å²	39	89.3 Å²	89.3	32%	0.322	48%	0.48	S	S	.	.	H	α-helix	trans	-66.6	-40.1	173.8	0	0	0	0	0	111.5	F476 L478 L483 F484	F476-A480 WeakPolarHBondContact O-CB 3.26Å; F476-A480 PolarHBondContact O-N 3.36Å; L478-A480 PolarHBondContact O-N 2.82Å; A480-L483 PolarHBondContact O-N 3.12Å; A480-F484 WeakPolarHBondContact O-CB 3.5Å; A480-F484 PolarHBondContact O-N 3.22Å
481	A	88.8	Confident	79.6	Confident	38 Å²	38	86.6 Å²	86.6	31%	0.314	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-44.5	172.8	0	0	0	0	0	111.7	L477 L478 F484 F485	L477-A481 VanDerWaalsContact O-CB 3.27Å; L477-A481 WeakPolarHBondContact O-CB 3.12Å; L477-A481 PolarHBondContact O-N 3.08Å; L478-A481 PolarHBondContact O-N 2.62Å; A481-F484 WeakPolarHBondContact O-CB 3.32Å; A481-F484 PolarHBondContact O-N 2.97Å; A481-F485 WeakPolarHBondContact O-CD2 3.38Å; A481-F485 PolarHBondContact O-N 3.35Å
482	C	84.6	Confident	79.7	Confident	66 Å²	66	86.4 Å²	86.4	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.1	-70.8	0	0	0	0	111.9	L478 T479 F485 L486	L478-C482 WeakPolarHBondContact O-CB 3.39Å; L478-C482 PolarHBondContact O-N 3.14Å; L478-C482 PolarHBondContact O-SG 2.85Å; L478-C482 VanDerWaalsContact O-SG 3.32Å; T479-C482 PolarHBondContact O-N 3.42Å; C482-F485 PolarHBondContact O-N 3.12Å; C482-L486 VanDerWaalsContact O-CB 3.31Å; C482-L486 WeakPolarHBondContact O-CB 3.38Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 3.42Å
483	L	82.2	Confident	79.1	Confident	80 Å²	80	85.4 Å²	85.4	42%	0.419	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-38.9	174.3	-75	169.3	0	0	0	111.8	T479 A480 L486 I487 L635	T479-L483 VanDerWaalsContact O-CB 3.31Å; T479-L483 WeakPolarHBondContact O-CB 3.34Å; T479-L483 VanDerWaalsContact O-CG 3.25Å; T479-L483 WeakPolarHBondContact O-CG 3.01Å; T479-L483 PolarHBondContact O-N 3.13Å; A480-L483 PolarHBondContact O-N 3.12Å; L483-L486 PolarHBondContact O-N 3.49Å; L483-I487 WeakPolarHBondContact O-CB 3.44Å; L483-I487 WeakPolarHBondContact O-CD1 3.41Å; L483-I487 WeakPolarHBondContact O-CG1 3.37Å; L483-I487 PolarHBondContact O-N 2.85Å; L483-L635 HydrophobicContact CD2-CD1 4.33Å
484	F	83.4	Confident	78.2	Confident	120 Å²	120	81.7 Å²	81.7	53%	0.526	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-46.8	174.6	176.8	-105.2	0	0	0	111.7	A480 A481 I487 L488	A480-F484 WeakPolarHBondContact O-CB 3.5Å; A480-F484 PolarHBondContact O-N 3.22Å; A481-F484 WeakPolarHBondContact O-CB 3.32Å; A481-F484 PolarHBondContact O-N 2.97Å; F484-I487 PolarHBondContact O-N 3.11Å; F484-L488 HydrophobicContact CD1-CD1 3.88Å; F484-L488 HydrophobicContact CE1-CD1 3.42Å; F484-L488 VanDerWaalsContact CE1-CD1 3.42Å; F484-L488 HydrophobicContact CE1-CG 4.38Å; F484-L488 HydrophobicContact CE2-CD1 4.29Å; F484-L488 HydrophobicContact CE2-CG 4.5Å; F484-L488 HydrophobicContact CZ-CD1 3.66Å; F484-L488 HydrophobicContact CZ-CG 4.32Å; F484-L488 WeakPolarHBondContact O-CB 3.5Å; F484-L488 WeakPolarHBondContact O-CG 2.89Å; F484-L488 PolarHBondContact O-N 2.91Å
485	F	82.8	Confident	77.1	Confident	136 Å²	136	80.8 Å²	80.8	60%	0.596	43%	0.429	S	S	*	.	H	α-helix	trans	-69.6	-30.3	175.3	-70.5	-59	0	0	0	113.2	A481 C482 L488 G489	A481-F485 WeakPolarHBondContact O-CD2 3.38Å; A481-F485 PolarHBondContact O-N 3.35Å; C482-F485 PolarHBondContact O-N 3.12Å; F485-L488 HydrophobicContact CD1-CD1 4.19Å; F485-G489 PolarHBondContact O-N 3.45Å
486	L	77.6	Confident	75.9	Confident	105 Å²	105	84.7 Å²	84.7	55%	0.55	44%	0.439	S	S	.	.	H	α-helix	trans	-70.1	-39.4	170.9	-75.7	168	0	0	0	111.8	C482 L483 G489 L490	C482-L486 VanDerWaalsContact O-CB 3.31Å; C482-L486 WeakPolarHBondContact O-CB 3.38Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 3.42Å; L483-L486 PolarHBondContact O-N 3.49Å; L486-G489 PolarHBondContact O-N 3.36Å; L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.26Å; L486-L490 VanDerWaalsContact O-CG 3.23Å; L486-L490 WeakPolarHBondContact O-CG 3.31Å; L486-L490 PolarHBondContact O-N 2.95Å
487	I	75.6	Confident	74	Confident	50 Å²	50	81 Å²	81	26%	0.256	44%	0.439	S	S	.	.	H	α-helix	trans	-66.7	-44.3	174.2	-70.8	163.4	0	0	0	110	L483 F484 G489 L490 T491 L635	L483-I487 WeakPolarHBondContact O-CB 3.44Å; L483-I487 WeakPolarHBondContact O-CD1 3.41Å; L483-I487 WeakPolarHBondContact O-CG1 3.37Å; L483-I487 PolarHBondContact O-N 2.85Å; F484-I487 PolarHBondContact O-N 3.11Å; I487-G489 VanDerWaalsContact C-N 3.35Å; I487-L490 PolarHBondContact O-N 2.82Å; I487-T491 HydrophobicContact CG2-CG2 4.41Å; I487-T491 WeakPolarHBondContact O-CB 3.47Å; I487-T491 WeakPolarHBondContact O-CG2 3.24Å; I487-T491 PolarHBondContact O-N 2.84Å; I487-T491 PolarHBondContact O-OG1 2.99Å; I487-L635 HydrophobicContact CD1-CD2 4.05Å; I487-L635 HydrophobicContact CG1-CD2 4.36Å
488	L	77.3	Confident	71.9	Confident	81 Å²	81	79.3 Å²	79.3	42%	0.424	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-40.4	173	-74.9	176.5	0	0	0	112.2	F484 F485 T491 Y492	F484-L488 HydrophobicContact CD1-CD1 3.88Å; F484-L488 HydrophobicContact CE1-CD1 3.42Å; F484-L488 VanDerWaalsContact CE1-CD1 3.42Å; F484-L488 HydrophobicContact CE1-CG 4.38Å; F484-L488 HydrophobicContact CE2-CD1 4.29Å; F484-L488 HydrophobicContact CE2-CG 4.5Å; F484-L488 HydrophobicContact CZ-CD1 3.66Å; F484-L488 HydrophobicContact CZ-CG 4.32Å; F484-L488 WeakPolarHBondContact O-CB 3.5Å; F484-L488 WeakPolarHBondContact O-CG 2.89Å; F484-L488 PolarHBondContact O-N 2.91Å; F485-L488 HydrophobicContact CD1-CD1 4.19Å; L488-T491 WeakPolarHBondContact CA-OG1 3.45Å; L488-T491 PolarHBondContact O-OG1 3.46Å; L488-Y492 WeakPolarHBondContact O-CB 3.46Å; L488-Y492 PolarHBondContact O-N 2.92Å
489	G	75.8	Confident	69.9	Low	29 Å²	29	76 Å²	76	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	-63.4	-48.3	175	0	0	0	0	0	111.8	F485 L486 I487 Y492 L493	F485-G489 PolarHBondContact O-N 3.45Å; L486-G489 PolarHBondContact O-N 3.36Å; I487-G489 VanDerWaalsContact C-N 3.35Å; G489-Y492 PolarHBondContact O-N 2.99Å; G489-L493 WeakPolarHBondContact O-CB 3.39Å; G489-L493 WeakPolarHBondContact O-CD1 3.33Å; G489-L493 PolarHBondContact O-N 3.18Å
490	L	66.7	Low	67.5	Low	91 Å²	91	78 Å²	78	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-70.6	-32.1	179.8	-70.6	170.5	0	0	0	113	L486 I487 G494 V631	L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.26Å; L486-L490 VanDerWaalsContact O-CG 3.23Å; L486-L490 WeakPolarHBondContact O-CG 3.31Å; L486-L490 PolarHBondContact O-N 2.95Å; I487-L490 PolarHBondContact O-N 2.82Å; L490-G494 PolarHBondContact O-N 2.6Å; L490-V631 HydrophobicContact CB-CG1 4.03Å; L490-V631 HydrophobicContact CB-CG2 3.88Å; L490-V631 HydrophobicContact CD1-CG1 4.09Å
491	T	67.1	Low	64.9	Low	10 Å²	10	81.6 Å²	81.6	6%	0.061	46%	0.461	C	S	.	.	H	α-helix	trans	-73.1	-38.2	170.6	54.8	0	0	0	0	111.3	I487 L488 G494 M495	I487-T491 HydrophobicContact CG2-CG2 4.41Å; I487-T491 WeakPolarHBondContact O-CB 3.47Å; I487-T491 WeakPolarHBondContact O-CG2 3.24Å; I487-T491 PolarHBondContact O-N 2.84Å; I487-T491 PolarHBondContact O-OG1 2.99Å; L488-T491 WeakPolarHBondContact CA-OG1 3.45Å; L488-T491 PolarHBondContact O-OG1 3.46Å; T491-G494 CarbonylContact O-C 3.56Å; T491-G494 PolarHBondContact O-N 3.04Å; T491-M495 VanDerWaalsContact O-CB 3.26Å; T491-M495 WeakPolarHBondContact O-CB 3.44Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.01Å
492	Y	70.3	Confident	62.6	Low	127 Å²	127	88.1 Å²	88.1	50%	0.498	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-44.5	173.6	-174.2	-99.9	0	0	0	112.3	L488 G489 M495 R496	L488-Y492 WeakPolarHBondContact O-CB 3.46Å; L488-Y492 PolarHBondContact O-N 2.92Å; G489-Y492 PolarHBondContact O-N 2.99Å; Y492-M495 PolarHBondContact O-N 2.73Å; Y492-R496 PolarHBondContact O-N 2.98Å
493	L	64	Low	60.2	Low	118 Å²	118	92.8 Å²	92.8	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-64.6	-38.9	172.3	-90.9	79	0	0	0	111.7	G489 R496 G497	G489-L493 WeakPolarHBondContact O-CB 3.39Å; G489-L493 WeakPolarHBondContact O-CD1 3.33Å; G489-L493 PolarHBondContact O-N 3.18Å; L493-R496 PolarHBondContact O-N 3.32Å; L493-G497 WeakPolarHBondContact O-CA 3.48Å; L493-G497 PolarHBondContact O-N 3.03Å
494	G	58	Low	57.7	Low	25 Å²	25	92.2 Å²	92.2	26%	0.258	52%	0.518	S	S	.	.	H	α-helix	trans	-69.9	-29.2	175.5	0	0	0	0	0	114.2	L490 T491	L490-G494 PolarHBondContact O-N 2.6Å; T491-G494 CarbonylContact O-C 3.56Å; T491-G494 PolarHBondContact O-N 3.04Å
495	M	58.8	Low	55.1	Low	60 Å²	60	93.9 Å²	93.9	30%	0.296	53%	0.528	S	S	.	.	H	α-helix	trans	-74.9	-30.2	173.7	-76.3	165.1	53.2	0	0	112.3	T491 Y492 F620 F624	T491-M495 VanDerWaalsContact O-CB 3.26Å; T491-M495 WeakPolarHBondContact O-CB 3.44Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.01Å; Y492-M495 PolarHBondContact O-N 2.73Å; M495-F620 HydrophobicContact CE-CD2 4.46Å; M495-F620 HydrophobicContact CE-CE2 3.43Å; M495-F620 VanDerWaalsContact CE-CE2 3.43Å; M495-F620 HydrophobicContact CE-CZ 3.55Å; M495-F624 HydrophobicContact SD-CD2 3.98Å
496	R	54.6	Low	52.9	Low	173 Å²	173	94.1 Å²	94.1	65%	0.653	54%	0.535	S	S	*	.	H	α-helix	trans	-76.5	-50.6	167.6	-86.7	-176.2	160.4	169.2	-5.2	112	Y492 L493 T498 G499	Y492-R496 PolarHBondContact O-N 2.98Å; L493-R496 PolarHBondContact O-N 3.32Å; R496-T498 PolarHBondContact O-N 2.02Å; R496-G499 PolarHBondContact O-N 3.24Å
497	G	43.5	Very low	50.5	Low	60 Å²	60	92.2 Å²	92.2	62%	0.619	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	27.4	-170.6	0	0	0	0	0	117.4	L493	L493-G497 WeakPolarHBondContact O-CA 3.48Å; L493-G497 PolarHBondContact O-N 3.03Å
498	T	43.3	Very low	48.8	Very low	78 Å²	78	93.7 Å²	93.7	48%	0.479	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	13.1	161.9	50.2	0	0	0	0	112.4	R496 R623	R496-T498 PolarHBondContact O-N 2.02Å; T498-R623 WeakPolarHBondContact OG1-CD 3.41Å; T498-R623 PolarHBondContact OG1-NE 2.85Å
499	G	44.2	Very low	46.8	Very low	40 Å²	40	97.9 Å²	97.9	41%	0.412	56%	0.555	S	S	.	*	S	Bend	trans	-138.1	170.1	155.5	0	0	0	0	0	108.8	R496	R496-G499 PolarHBondContact O-N 3.24Å
500	V	34.2	Very low	45.3	Very low	111 Å²	111	102.8 Å²	102.8	67%	0.673	58%	0.575	S	S	*	*			trans	65.6	85.1	174.3	-170.8	0	0	0	0	114.2	E502	V500-E502 HydrophobicContact CG1-CB 3.41Å; V500-E502 VanDerWaalsContact CG1-CB 3.41Å; V500-E502 HydrophobicContact CG1-CG 3.55Å; V500-E502 WeakPolarHBondContact CG1-OE2 3.25Å
501	S	29.2	Very low	44.3	Very low	115 Å²	115	100.3 Å²	100.3	80%	0.804	56%	0.564	S	S	*	*				-75.3	113.2	124.8	-62.5	0	0	0	0	106.1	D503	S501-D503 PolarHBondContact O-N 2.98Å; S501-D503 VanDerWaalsContact O-N 3.12Å
502	E	41.9	Very low	43.4	Very low	176 Å²	176	101.3 Å²	101.3	82%	0.822	57%	0.568	S	S	*	*	S	Bend	trans	-86.3	61.9	175.5	-130.7	167.8	143.7	0	0	109	V500	V500-E502 HydrophobicContact CG1-CB 3.41Å; V500-E502 VanDerWaalsContact CG1-CB 3.41Å; V500-E502 HydrophobicContact CG1-CG 3.55Å; V500-E502 WeakPolarHBondContact CG1-OE2 3.25Å
503	D	34.2	Very low	42	Very low	164 Å²	164	97.4 Å²	97.4	88%	0.877	57%	0.566	S	S	*	*			trans	-154.8	78.9	171.3	-91.5	-41.4	0	0	0	105.5	S501	S501-D503 PolarHBondContact O-N 2.98Å; S501-D503 VanDerWaalsContact O-N 3.12Å
504	G	29.5	Very low	41.1	Very low	67 Å²	67	101.4 Å²	101.4	69%	0.691	58%	0.582	S	S	*	*			trans	161.4	51.8	-157.3	0	0	0	0	0	111	L506	G504-L506 PolarHBondContact O-N 3.12Å
505	E	27.8	Very low	40.6	Very low	155 Å²	155	106 Å²	106	72%	0.724	61%	0.605	S	S	*	*			trans	-39.8	134.7	165.8	-171.7	-175.2	127	0	0	110.2	S507	E505-S507 PolarHBondContact O-N 2.73Å; E505-S507 WeakPolarHBondContact OE1-CB 3.18Å; E505-S507 PolarHBondContact OE1-OG 3.1Å
506	L	36.6	Very low	40.2	Very low	142 Å²	142	106.1 Å²	106.1	74%	0.743	60%	0.604	S	S	*	*			trans	-76	59.1	166.9	-103.7	168	0	0	0	109.2	G504 I508	G504-L506 PolarHBondContact O-N 3.12Å; L506-I508 HydrophobicContact CD2-CD1 3.87Å; L506-I508 HydrophobicContact CD2-CG1 3.96Å; L506-I508 PolarHBondContact O-N 2.94Å
507	S	28.7	Very low	39.8	Very low	65 Å²	65	101.1 Å²	101.1	46%	0.455	61%	0.606	S	S	.	*			trans	-73.5	72	174.1	-140.8	0	0	0	0	108.2	E505 E509	E505-S507 PolarHBondContact O-N 2.73Å; E505-S507 WeakPolarHBondContact OE1-CB 3.18Å; E505-S507 PolarHBondContact OE1-OG 3.1Å; S507-E509 PolarHBondContact O-N 3.39Å; S507-E509 VanDerWaalsContact O-N 3.08Å
508	I	39.8	Very low	40	Very low	81 Å²	81	108.4 Å²	108.4	42%	0.415	62%	0.621	S	S	.	*			trans	-78.8	49.8	160.1	-52.3	-173.5	0	0	0	107.1	L506 N510 P511 Y532	L506-I508 HydrophobicContact CD2-CD1 3.87Å; L506-I508 HydrophobicContact CD2-CG1 3.96Å; L506-I508 PolarHBondContact O-N 2.94Å; I508-N510 PolarHBondContact O-N 3.28Å; I508-N510 VanDerWaalsContact O-N 3.08Å; I508-P511 HydrophobicContact CG2-CG 3.69Å; I508-Y532 VanDerWaalsContact CD1-OH 3.26Å; I508-Y532 WeakPolarHBondContact CD1-OH 3.14Å
509	E	34.6	Very low	40.7	Very low	168 Å²	168	107.3 Å²	107.3	79%	0.785	61%	0.611	S	S	*	*	S	Bend	trans	-73	91.5	155.3	-72.7	-142.1	144.4	0	0	106.6	S507	S507-E509 PolarHBondContact O-N 3.39Å; S507-E509 VanDerWaalsContact O-N 3.08Å
510	N	43.5	Very low	41.5	Very low	132 Å²	132	111.6 Å²	111.6	71%	0.706	62%	0.621	S	S	*	*			trans	46.7	90.9	172.5	-64.8	-32.3	0	0	0	115.7	I508 F512	I508-N510 PolarHBondContact O-N 3.28Å; I508-N510 VanDerWaalsContact O-N 3.08Å; N510-F512 CarbonylContact O-C 3.57Å; N510-F512 PolarHBondContact O-N 3.43Å
511	P	46.6	Very low	43	Very low	39 Å²	39	112.7 Å²	112.7	25%	0.253	62%	0.618	S	S	.	*	S	Bend	trans	-53.9	-24.7	165.1	-23.3	33.9	0	0	0	112.8	I508 M528 W581	I508-P511 HydrophobicContact CG2-CG 3.69Å; P511-M528 HydrophobicContact CG-CE 4.24Å; P511-M528 HydrophobicContact CG-SD 4.43Å; P511-W581 HydrophobicContact CB-CH2 3.86Å; P511-W581 HydrophobicContact CB-CZ2 3.59Å
512	F	47.3	Very low	44.8	Very low	32 Å²	32	110.2 Å²	110.2	14%	0.14	60%	0.601	C	S	.	*	S	Bend	trans	-91.7	92.9	172.4	-52	-70	0	0	0	110.3	N510 F516 K524 M527 M528 W581	N510-F512 CarbonylContact O-C 3.57Å; N510-F512 PolarHBondContact O-N 3.43Å; F512-F516 HydrophobicContact CB-CB 4.47Å; F512-F516 HydrophobicContact CD1-CB 4.35Å; F512-F516 HydrophobicContact CD1-CD2 4.25Å; F512-K524 HydrophobicContact CD2-CD 4.37Å; F512-K524 HydrophobicContact CE2-CB 4.31Å; F512-K524 HydrophobicContact CE2-CG 4.49Å; F512-M527 HydrophobicContact CE1-CE 3.42Å; F512-M527 VanDerWaalsContact CE1-CE 3.42Å; F512-M527 HydrophobicContact CZ-CE 3.52Å; F512-M528 HydrophobicContact CE2-CG 4.3Å; F512-M528 HydrophobicContact CE2-SD 4.27Å; F512-M528 HydrophobicContact CZ-SD 4.39Å; F512-W581 AromaticContact CD1-NE1 3.75Å; F512-W581 AromaticContact CE1-CD1 3.88Å; F512-W581 HydrophobicContact CE1-CD2 4.4Å; F512-W581 AromaticContact CE1-CE2 3.86Å; F512-W581 HydrophobicContact CE1-CG 4.44Å; F512-W581 HydrophobicContact CE1-CZ2 4.41Å; F512-W581 AromaticContact CE1-NE1 3.48Å
513	G	41.8	Very low	46.2	Very low	45 Å²	45	106.3 Å²	106.3	46%	0.464	58%	0.583	S	S	.	*			trans	-61.3	178.8	158.1	0	0	0	0	0	111.9	T515 F516	G513-T515 PolarHBondContact O-N 3.23Å; G513-F516 PolarHBondContact O-N 3.02Å
514	E	45.9	Very low	48	Very low	202 Å²	202	100.4 Å²	100.4	94%	0.944	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-58.7	-13.7	-167.2	-61.7	179	113.1	0	0	115.6	F516 G517	E514-F516 VanDerWaalsContact C-N 3.25Å; E514-F516 PolarHBondContact O-N 3.37Å; E514-G517 PolarHBondContact O-N 3.24Å
515	T	47.6	Very low	50.3	Low	122 Å²	122	102 Å²	102	75%	0.748	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-58.8	-28.6	177.1	48.2	0	0	0	0	114.3	G513	G513-T515 PolarHBondContact O-N 3.23Å
516	F	49.2	Very low	52.8	Low	61 Å²	61	96.6 Å²	96.6	27%	0.268	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-104.8	40.1	-179.3	-83.8	-68	0	0	0	115	F512 G513 E514 K518 I519 K524	F512-F516 HydrophobicContact CB-CB 4.47Å; F512-F516 HydrophobicContact CD1-CB 4.35Å; F512-F516 HydrophobicContact CD1-CD2 4.25Å; G513-F516 PolarHBondContact O-N 3.02Å; E514-F516 VanDerWaalsContact C-N 3.25Å; E514-F516 PolarHBondContact O-N 3.37Å; F516-K518 PolarHBondContact O-N 2.8Å; F516-I519 HydrophobicContact CD1-CB 4.43Å; F516-I519 HydrophobicContact CD1-CD1 3.45Å; F516-I519 VanDerWaalsContact CD1-CD1 3.45Å; F516-I519 HydrophobicContact CD1-CG1 3.83Å; F516-I519 HydrophobicContact CE1-CD1 3.43Å; F516-I519 VanDerWaalsContact CE1-CD1 3.43Å; F516-I519 HydrophobicContact CE1-CG1 4.21Å; F516-K524 WeakPolarHBondContact O-CE 3.38Å; F516-K524 PolarHBondContact O-NZ 3.03Å
517	G	47.1	Very low	54.7	Low	68 Å²	68	90.4 Å²	90.4	70%	0.701	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	12.5	173.4	0	0	0	0	0	116.9	E514	E514-G517 PolarHBondContact O-N 3.24Å
518	K	47.4	Very low	57.1	Low	213 Å²	213	89 Å²	89	93%	0.926	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	3.1	-177.1	-76.8	-171.1	177	178	0	117	F516	F516-K518 PolarHBondContact O-N 2.8Å
519	I	57.6	Low	59.1	Low	56 Å²	56	87.9 Å²	87.9	29%	0.287	47%	0.467	S	S	.	.	S	Bend	trans	-92.7	142.5	174	-74.9	-171.7	0	0	0	110.4	F516 E523 K524	F516-I519 HydrophobicContact CD1-CB 4.43Å; F516-I519 HydrophobicContact CD1-CD1 3.45Å; F516-I519 VanDerWaalsContact CD1-CD1 3.45Å; F516-I519 HydrophobicContact CD1-CG1 3.83Å; F516-I519 HydrophobicContact CE1-CD1 3.43Å; F516-I519 VanDerWaalsContact CE1-CD1 3.43Å; F516-I519 HydrophobicContact CE1-CG1 4.21Å; I519-E523 HydrophobicContact CG2-CB 3.7Å; I519-E523 WeakPolarHBondContact CG2-OE2 3.34Å; I519-K524 HydrophobicContact CG2-CG 3.88Å; I519-K524 WeakPolarHBondContact O-CE 3.24Å
520	Q	61	Low	61.3	Low	130 Å²	130	79.9 Å²	79.9	61%	0.607	43%	0.43	S	S	*	.			trans	-70.4	145	-173.5	-164.7	172.3	-15.2	0	0	111.7	S522 E523 K524	Q520-S522 WeakPolarHBondContact CG-OG 3.13Å; Q520-S522 PolarHBondContact O-N 2.99Å; Q520-S522 VanDerWaalsContact O-N 3.12Å; Q520-E523 HydrophobicContact CB-CG 4.21Å; Q520-E523 WeakPolarHBondContact CB-OE2 3.26Å; Q520-E523 PolarHBondContact N-OE2 2.77Å; Q520-E523 PolarHBondContact O-N 3.16Å; Q520-K524 PolarHBondContact O-N 2.96Å
521	E	65.8	Low	63.1	Low	133 Å²	133	74.1 Å²	74.1	62%	0.621	40%	0.399	S	S	*	.	H	α-helix	trans	-52.2	-38.2	-177.9	-153.1	67.4	-128.3	0	0	112.7	N525	E521-N525 PolarHBondContact O-N 3.43Å; E521-N525 VanDerWaalsContact O-N 3.13Å; E521-N525 PolarHBondContact O-ND2 3.48Å
522	S	67.1	Low	64.8	Low	64 Å²	64	78.4 Å²	78.4	45%	0.448	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-42.4	176.1	45.3	0	0	0	0	113.1	Q520 N525 L526	Q520-S522 WeakPolarHBondContact CG-OG 3.13Å; Q520-S522 PolarHBondContact O-N 2.99Å; Q520-S522 VanDerWaalsContact O-N 3.12Å; S522-N525 PolarHBondContact O-N 3.45Å; S522-L526 VanDerWaalsContact O-CB 3.22Å; S522-L526 WeakPolarHBondContact O-CB 3.34Å; S522-L526 PolarHBondContact O-N 2.87Å
523	E	71.3	Confident	66.5	Low	93 Å²	93	81.2 Å²	81.2	44%	0.435	42%	0.423	S	S	.	.	H	α-helix	trans	-69.7	-38.6	-178.5	-61.2	173.1	125.3	0	0	111	I519 Q520 L526 M527	I519-E523 HydrophobicContact CG2-CB 3.7Å; I519-E523 WeakPolarHBondContact CG2-OE2 3.34Å; Q520-E523 HydrophobicContact CB-CG 4.21Å; Q520-E523 WeakPolarHBondContact CB-OE2 3.26Å; Q520-E523 PolarHBondContact N-OE2 2.77Å; Q520-E523 PolarHBondContact O-N 3.16Å; E523-L526 PolarHBondContact O-N 3.46Å; E523-M527 VanDerWaalsContact O-CB 3.3Å; E523-M527 WeakPolarHBondContact O-CB 3.32Å; E523-M527 PolarHBondContact O-N 2.83Å
524	K	72.8	Confident	68.5	Low	40 Å²	40	79.1 Å²	79.1	17%	0.174	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-46.2	174	-65.4	179.4	179.7	174.2	0	111.7	F512 F516 I519 Q520 M527 M528	F512-K524 HydrophobicContact CD2-CD 4.37Å; F512-K524 HydrophobicContact CE2-CB 4.31Å; F512-K524 HydrophobicContact CE2-CG 4.49Å; F516-K524 WeakPolarHBondContact O-CE 3.38Å; F516-K524 PolarHBondContact O-NZ 3.03Å; I519-K524 HydrophobicContact CG2-CG 3.88Å; I519-K524 WeakPolarHBondContact O-CE 3.24Å; Q520-K524 PolarHBondContact O-N 2.96Å; K524-M527 PolarHBondContact O-N 3.47Å; K524-M528 WeakPolarHBondContact O-CG 3.45Å; K524-M528 PolarHBondContact O-N 3.4Å
525	N	76.8	Confident	70.2	Confident	102 Å²	102	71.7 Å²	71.7	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-40.4	176.9	-80.8	-80.5	0	0	0	112	E521 S522 M528 N529	E521-N525 PolarHBondContact O-N 3.43Å; E521-N525 VanDerWaalsContact O-N 3.13Å; E521-N525 PolarHBondContact O-ND2 3.48Å; S522-N525 PolarHBondContact O-N 3.45Å; N525-M528 PolarHBondContact O-N 3.48Å; N525-N529 WeakPolarHBondContact O-CB 3.29Å; N525-N529 PolarHBondContact O-N 3.45Å
526	L	81.2	Confident	71.9	Confident	40 Å²	40	69 Å²	69	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-38.7	178.4	-170.1	53.9	0	0	0	111.7	S522 E523 N529 T530 E570 Y571 I574	S522-L526 VanDerWaalsContact O-CB 3.22Å; S522-L526 WeakPolarHBondContact O-CB 3.34Å; S522-L526 PolarHBondContact O-N 2.87Å; E523-L526 PolarHBondContact O-N 3.46Å; L526-N529 WeakPolarHBondContact O-CB 3.36Å; L526-N529 PolarHBondContact O-N 3.21Å; L526-T530 PolarHBondContact O-N 3.09Å; L526-E570 HydrophobicContact CD2-CB 4.44Å; L526-Y571 HydrophobicContact CD1-CD1 3.78Å; L526-Y571 HydrophobicContact CD1-CE1 3.42Å; L526-Y571 VanDerWaalsContact CD1-CE1 3.42Å; L526-I574 HydrophobicContact CB-CD1 4.12Å; L526-I574 HydrophobicContact CD2-CD1 3.4Å; L526-I574 HydrophobicContact CG-CD1 3.65Å
527	M	76.7	Confident	73.5	Confident	13 Å²	13	70.6 Å²	70.6	6%	0.064	35%	0.352	C	S	.	.	H	α-helix	trans	-68	-39.7	173.7	-173.8	159.6	76.4	0	0	113.1	F512 E523 K524 N529 T530 L531 I574 T577 W581	F512-M527 HydrophobicContact CE1-CE 3.42Å; F512-M527 VanDerWaalsContact CE1-CE 3.42Å; F512-M527 HydrophobicContact CZ-CE 3.52Å; E523-M527 VanDerWaalsContact O-CB 3.3Å; E523-M527 WeakPolarHBondContact O-CB 3.32Å; E523-M527 PolarHBondContact O-N 2.83Å; K524-M527 PolarHBondContact O-N 3.47Å; M527-N529 VanDerWaalsContact C-N 3.27Å; M527-N529 PolarHBondContact O-N 2.91Å; M527-T530 PolarHBondContact O-N 2.89Å; M527-T530 PolarHBondContact O-OG1 3.37Å; M527-L531 HydrophobicContact CG-CD1 4.27Å; M527-L531 VanDerWaalsContact O-CG 3.3Å; M527-L531 WeakPolarHBondContact O-CG 3.46Å; M527-L531 PolarHBondContact O-N 3.29Å; M527-L531 VanDerWaalsContact O-N 3.08Å; M527-I574 HydrophobicContact CB-CG2 3.76Å; M527-I574 HydrophobicContact CG-CG2 4.02Å; M527-I574 HydrophobicContact SD-CG2 4.43Å; M527-T577 HydrophobicContact SD-CG2 4.4Å; M527-W581 HydrophobicContact CE-CB 4.41Å; M527-W581 HydrophobicContact CE-CG 4.23Å
528	M	78.2	Confident	75.2	Confident	34 Å²	34	67.6 Å²	67.6	17%	0.167	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-37	172.2	-70.5	-61.6	-67.9	0	0	111.1	P511 F512 K524 N525 L531 Y532	P511-M528 HydrophobicContact CG-CE 4.24Å; P511-M528 HydrophobicContact CG-SD 4.43Å; F512-M528 HydrophobicContact CE2-CG 4.3Å; F512-M528 HydrophobicContact CE2-SD 4.27Å; F512-M528 HydrophobicContact CZ-SD 4.39Å; K524-M528 WeakPolarHBondContact O-CG 3.45Å; K524-M528 PolarHBondContact O-N 3.4Å; N525-M528 PolarHBondContact O-N 3.48Å; M528-L531 PolarHBondContact O-N 2.87Å; M528-L531 HydrophobicContact SD-CD1 4.46Å; M528-Y532 HydrophobicContact CB-CD2 4.46Å; M528-Y532 HydrophobicContact CB-CE2 4.3Å; M528-Y532 HydrophobicContact CE-CE2 3.95Å; M528-Y532 WeakPolarHBondContact O-CD2 3.23Å; M528-Y532 PolarHBondContact O-N 2.82Å
529	N	81	Confident	76.9	Confident	58 Å²	58	57.5 Å²	57.5	31%	0.31	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.8	-169.9	25.8	0	0	0	112.7	N525 L526 M527 L531 Y532 K533 Y571	N525-N529 WeakPolarHBondContact O-CB 3.29Å; N525-N529 PolarHBondContact O-N 3.45Å; L526-N529 WeakPolarHBondContact O-CB 3.36Å; L526-N529 PolarHBondContact O-N 3.21Å; M527-N529 VanDerWaalsContact C-N 3.27Å; M527-N529 PolarHBondContact O-N 2.91Å; N529-L531 PolarHBondContact O-N 3.38Å; N529-Y532 PolarHBondContact O-N 3.05Å; N529-K533 WeakPolarHBondContact O-CB 3.17Å; N529-K533 VanDerWaalsContact O-CG 3.29Å; N529-K533 WeakPolarHBondContact O-CG 3.45Å; N529-K533 PolarHBondContact O-N 2.9Å; N529-Y571 PolarHBondContact ND2-OH 3.17Å
530	T	82.4	Confident	78	Confident	1 Å²	1	58 Å²	58	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-46.1	172.9	56.6	0	0	0	0	111.4	L526 M527 Y532 K533 L534 Y571	L526-T530 PolarHBondContact O-N 3.09Å; M527-T530 PolarHBondContact O-N 2.89Å; M527-T530 PolarHBondContact O-OG1 3.37Å; T530-Y532 PolarHBondContact O-N 3.2Å; T530-K533 PolarHBondContact O-N 2.77Å; T530-L534 VanDerWaalsContact O-CB 3.24Å; T530-L534 WeakPolarHBondContact O-CB 3.45Å; T530-L534 PolarHBondContact O-N 3.19Å; T530-Y571 HydrophobicContact CG2-CD1 3.39Å; T530-Y571 HydrophobicContact CG2-CE1 4.31Å; T530-Y571 HydrophobicContact CG2-CG 3.98Å
531	L	80.9	Confident	79	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-44	179.3	-70	172.2	0	0	0	112.1	M527 M528 N529 H535 W581 I582 I591	M527-L531 HydrophobicContact CG-CD1 4.27Å; M527-L531 VanDerWaalsContact O-CG 3.3Å; M527-L531 WeakPolarHBondContact O-CG 3.46Å; M527-L531 PolarHBondContact O-N 3.29Å; M527-L531 VanDerWaalsContact O-N 3.08Å; M528-L531 PolarHBondContact O-N 2.87Å; M528-L531 HydrophobicContact SD-CD1 4.46Å; N529-L531 PolarHBondContact O-N 3.38Å; L531-H535 WeakPolarHBondContact O-CB 3.37Å; L531-H535 PolarHBondContact O-N 3.48Å; L531-W581 HydrophobicContact CD1-CE3 3.84Å; L531-W581 HydrophobicContact CD1-CZ3 3.79Å; L531-I582 HydrophobicContact CD2-CD1 3.65Å; L531-I582 HydrophobicContact CD2-CG1 4.15Å; L531-I591 HydrophobicContact CD2-CD1 4.5Å
532	Y	81.9	Confident	79.7	Confident	130 Å²	130	47.3 Å²	47.3	51%	0.51	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-42.5	175.6	-77.1	-56.4	0	0	0	112.9	I508 M528 N529 T530 H535 D536	I508-Y532 VanDerWaalsContact CD1-OH 3.26Å; I508-Y532 WeakPolarHBondContact CD1-OH 3.14Å; M528-Y532 HydrophobicContact CB-CD2 4.46Å; M528-Y532 HydrophobicContact CB-CE2 4.3Å; M528-Y532 HydrophobicContact CE-CE2 3.95Å; M528-Y532 WeakPolarHBondContact O-CD2 3.23Å; M528-Y532 PolarHBondContact O-N 2.82Å; N529-Y532 PolarHBondContact O-N 3.05Å; T530-Y532 PolarHBondContact O-N 3.2Å; Y532-H535 PolarHBondContact O-N 3.06Å; Y532-D536 WeakPolarHBondContact O-CB 3.46Å; Y532-D536 PolarHBondContact O-N 3.4Å
533	K	82.2	Confident	80.3	Confident	90 Å²	90	44.3 Å²	44.3	39%	0.391	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-42	178.4	-70.2	-68.6	180	-177.4	0	112.3	N529 T530 R537 L567	N529-K533 WeakPolarHBondContact O-CB 3.17Å; N529-K533 VanDerWaalsContact O-CG 3.29Å; N529-K533 WeakPolarHBondContact O-CG 3.45Å; N529-K533 PolarHBondContact O-N 2.9Å; T530-K533 PolarHBondContact O-N 2.77Å; K533-R537 PolarHBondContact O-N 3.05Å; K533-R537 VanDerWaalsContact O-N 3.15Å; K533-L567 HydrophobicContact CB-CD1 4.32Å
534	L	83.6	Confident	80.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-44.3	175.3	-176.9	61.9	0	0	0	111.1	T530 R537 L538 A560 F575 I591 L611	T530-L534 VanDerWaalsContact O-CB 3.24Å; T530-L534 WeakPolarHBondContact O-CB 3.45Å; T530-L534 PolarHBondContact O-N 3.19Å; L534-R537 PolarHBondContact O-N 3.49Å; L534-L538 HydrophobicContact CD1-CD1 4.15Å; L534-L538 HydrophobicContact CD1-CG 4.3Å; L534-L538 HydrophobicContact CG-CD1 3.9Å; L534-L538 HydrophobicContact CG-CG 4.46Å; L534-L538 WeakPolarHBondContact O-CB 3.37Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 3.37Å; L534-A560 HydrophobicContact CD1-CB 3.89Å; L534-F575 HydrophobicContact CD2-CE2 3.93Å; L534-I591 HydrophobicContact CB-CD1 4.32Å; L534-I591 HydrophobicContact CD2-CD1 4.06Å; L534-I591 HydrophobicContact CG-CD1 4.07Å; L534-L611 HydrophobicContact CD1-CD1 4.46Å; L534-L611 HydrophobicContact CD2-CD1 4.34Å
535	H	82.4	Confident	81.2	Confident	47 Å²	47	44.7 Å²	44.7	22%	0.218	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-48.7	175.9	178.1	-74.5	0	0	0	111.8	L531 Y532 R537 L538 A539 I591	L531-H535 WeakPolarHBondContact O-CB 3.37Å; L531-H535 PolarHBondContact O-N 3.48Å; Y532-H535 PolarHBondContact O-N 3.06Å; H535-R537 PolarHBondContact O-N 2.93Å; H535-L538 PolarHBondContact O-N 2.87Å; H535-A539 WeakPolarHBondContact O-CB 3.47Å; H535-A539 PolarHBondContact O-N 2.88Å; H535-I591 HydrophobicContact CB-CD1 4.09Å; H535-I591 HydrophobicContact CB-CG1 4.15Å
536	D	82.8	Confident	81.2	Confident	64 Å²	64	42.4 Å²	42.4	34%	0.342	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-45.9	178.3	-178.7	38.4	0	0	0	111.6	Y532 L538 A539 Q540	Y532-D536 WeakPolarHBondContact O-CB 3.46Å; Y532-D536 PolarHBondContact O-N 3.4Å; D536-L538 PolarHBondContact O-N 2.7Å; D536-A539 PolarHBondContact O-N 2.94Å; D536-Q540 VanDerWaalsContact O-CG 3.25Å; D536-Q540 WeakPolarHBondContact O-CG 3.48Å; D536-Q540 PolarHBondContact O-N 2.81Å; D536-Q540 PolarHBondContact OD1-NE2 3.39Å; D536-Q540 PolarHBondContact OD2-NE2 2.83Å
537	R	82.6	Confident	81.1	Confident	96 Å²	96	41.9 Å²	41.9	36%	0.362	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-43.5	177.3	-175.7	57.3	173.3	174.1	-0.2	113	K533 L534 H535 L541 Y563	K533-R537 PolarHBondContact O-N 3.05Å; K533-R537 VanDerWaalsContact O-N 3.15Å; L534-R537 PolarHBondContact O-N 3.49Å; H535-R537 PolarHBondContact O-N 2.93Å; R537-L541 WeakPolarHBondContact O-CG 3.46Å; R537-L541 PolarHBondContact O-N 3.32Å; R537-Y563 HydrophobicContact CB-CD1 4.13Å; R537-Y563 HydrophobicContact CB-CE1 3.53Å; R537-Y563 HydrophobicContact CG-CD1 3.94Å; R537-Y563 HydrophobicContact CG-CD2 4.4Å; R537-Y563 HydrophobicContact CG-CE1 3.71Å; R537-Y563 HydrophobicContact CG-CE2 4.2Å; R537-Y563 HydrophobicContact CG-CG 4.28Å
538	L	83.9	Confident	81.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-41.2	176.6	-69.3	170.9	0	0	0	111.7	L534 H535 D536 Q540 L541 A542 L555 I591 L611 S613	L534-L538 HydrophobicContact CD1-CD1 4.15Å; L534-L538 HydrophobicContact CD1-CG 4.3Å; L534-L538 HydrophobicContact CG-CD1 3.9Å; L534-L538 HydrophobicContact CG-CG 4.46Å; L534-L538 WeakPolarHBondContact O-CB 3.37Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 3.37Å; H535-L538 PolarHBondContact O-N 2.87Å; D536-L538 PolarHBondContact O-N 2.7Å; L538-Q540 PolarHBondContact O-N 3.43Å; L538-L541 PolarHBondContact O-N 2.9Å; L538-A542 PolarHBondContact O-N 2.88Å; L538-L555 HydrophobicContact CD2-CB 3.58Å; L538-L555 HydrophobicContact CD2-CD2 3.97Å; L538-L555 HydrophobicContact CD2-CG 4.44Å; L538-I591 HydrophobicContact CD1-CD1 4.21Å; L538-I591 HydrophobicContact CD1-CG1 4.11Å; L538-I591 HydrophobicContact CD1-CG2 3.89Å; L538-L611 HydrophobicContact CD1-CB 3.96Å; L538-L611 HydrophobicContact CD2-CB 3.89Å; L538-S613 PolarHBondContact O-OG 3.34Å
539	A	82.3	Confident	80.8	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-39.2	179.3	0	0	0	0	0	111.8	H535 D536 G543 S613 R615 L617	H535-A539 WeakPolarHBondContact O-CB 3.47Å; H535-A539 PolarHBondContact O-N 2.88Å; D536-A539 PolarHBondContact O-N 2.94Å; A539-G543 PolarHBondContact O-N 3.5Å; A539-S613 WeakPolarHBondContact CA-OG 3.25Å; A539-R615 VanDerWaalsContact CB-O 3.26Å; A539-R615 WeakPolarHBondContact CB-O 3.41Å; A539-L617 HydrophobicContact CB-CB 3.86Å; A539-L617 PolarHBondContact O-N 3.2Å
540	Q	81	Confident	80.7	Confident	65 Å²	65	45.6 Å²	45.6	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-50.4	171.8	-71.2	165.8	25.1	0	0	111.2	D536 L538 A542 G543 D544 L617	D536-Q540 VanDerWaalsContact O-CG 3.25Å; D536-Q540 WeakPolarHBondContact O-CG 3.48Å; D536-Q540 PolarHBondContact O-N 2.81Å; D536-Q540 PolarHBondContact OD1-NE2 3.39Å; D536-Q540 PolarHBondContact OD2-NE2 2.83Å; L538-Q540 PolarHBondContact O-N 3.43Å; Q540-A542 PolarHBondContact O-N 3.01Å; Q540-G543 CarbonylContact O-C 3.59Å; Q540-G543 WeakPolarHBondContact O-CA 3.21Å; Q540-G543 PolarHBondContact O-N 3.43Å; Q540-G543 VanDerWaalsContact O-N 3.11Å; Q540-D544 PolarHBondContact O-N 3.26Å; Q540-L617 HydrophobicContact CG-CD2 4.01Å
541	L	82.6	Confident	80.1	Confident	38 Å²	38	50.8 Å²	50.8	20%	0.199	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-44.6	179.4	-70.8	167.9	0	0	0	112.9	R537 L538 G543 D544 H545 L555	R537-L541 WeakPolarHBondContact O-CG 3.46Å; R537-L541 PolarHBondContact O-N 3.32Å; L538-L541 PolarHBondContact O-N 2.9Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.18Å; L541-D544 PolarHBondContact O-N 3.44Å; L541-H545 WeakPolarHBondContact O-CB 3.36Å; L541-H545 PolarHBondContact O-N 2.95Å; L541-L555 HydrophobicContact CD1-CB 4.19Å; L541-L555 HydrophobicContact CD1-CD1 3.99Å; L541-L555 HydrophobicContact CD1-CD2 4.26Å; L541-L555 HydrophobicContact CD1-CG 4.39Å
542	A	80.8	Confident	79.8	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-67.9	-32	175.6	0	0	0	0	0	112.5	L538 Q540 E546 R553 S613 P616	L538-A542 PolarHBondContact O-N 2.88Å; Q540-A542 PolarHBondContact O-N 3.01Å; A542-E546 PolarHBondContact O-N 3.01Å; A542-E546 VanDerWaalsContact O-N 3.12Å; A542-R553 HydrophobicContact CB-CG 4.31Å; A542-S613 WeakPolarHBondContact CB-OG 3.19Å; A542-P616 HydrophobicContact CB-CB 3.94Å
543	G	80	Confident	79.6	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-56.9	169.6	0	0	0	0	0	111.6	A539 Q540 L541 H545 E546 C547	A539-G543 PolarHBondContact O-N 3.5Å; Q540-G543 CarbonylContact O-C 3.59Å; Q540-G543 WeakPolarHBondContact O-CA 3.21Å; Q540-G543 PolarHBondContact O-N 3.43Å; Q540-G543 VanDerWaalsContact O-N 3.11Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.18Å; G543-H545 VanDerWaalsContact C-N 3.3Å; G543-H545 PolarHBondContact O-N 3.46Å; G543-E546 CarbonylContact O-C 3.56Å; G543-E546 PolarHBondContact O-N 3.32Å; G543-E546 VanDerWaalsContact O-N 3.13Å; G543-C547 WeakPolarHBondContact O-CB 3.4Å; G543-C547 PolarHBondContact O-N 3.21Å; G543-C547 PolarHBondContact O-SG 2.9Å
544	D	80.6	Confident	79.6	Confident	75 Å²	75	52.7 Å²	52.7	40%	0.401	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-39.4	178.5	-87.2	-48	0	0	0	112.8	Q540 L541 C547 G548 S549 S550	Q540-D544 PolarHBondContact O-N 3.26Å; L541-D544 PolarHBondContact O-N 3.44Å; D544-C547 CarbonylContact O-C 3.59Å; D544-C547 PolarHBondContact O-N 3.45Å; D544-G548 PolarHBondContact O-N 2.8Å; D544-S549 WeakPolarHBondContact CA-OG 3.48Å; D544-S549 WeakPolarHBondContact CB-OG 3.31Å; D544-S549 PolarHBondContact O-N 3.33Å; D544-S549 PolarHBondContact O-OG 3.4Å; D544-S549 WeakPolarHBondContact OD1-CB 3.33Å; D544-S549 PolarHBondContact OD1-OG 3.37Å; D544-S550 PolarHBondContact O-N 2.82Å
545	H	81.1	Confident	79.6	Confident	66 Å²	66	53.6 Å²	53.6	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-50	173	177.8	-86.3	0	0	0	112.2	L541 G543 C547 G548 R553	L541-H545 WeakPolarHBondContact O-CB 3.36Å; L541-H545 PolarHBondContact O-N 2.95Å; G543-H545 VanDerWaalsContact C-N 3.3Å; G543-H545 PolarHBondContact O-N 3.46Å; H545-C547 PolarHBondContact O-N 3.32Å; H545-G548 PolarHBondContact O-N 2.95Å; H545-G548 VanDerWaalsContact O-N 3.12Å; H545-R553 HydrophobicContact CB-CB 4.16Å; H545-R553 HydrophobicContact CB-CG 4.13Å
546	E	76.8	Confident	79.7	Confident	55 Å²	55	52.5 Å²	52.5	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-70.9	-9.9	177.2	-77.5	-156.3	-132.6	0	0	114.6	A542 G543 R553 M618 R626	A542-E546 PolarHBondContact O-N 3.01Å; A542-E546 VanDerWaalsContact O-N 3.12Å; G543-E546 CarbonylContact O-C 3.56Å; G543-E546 PolarHBondContact O-N 3.32Å; G543-E546 VanDerWaalsContact O-N 3.13Å; E546-R553 IonicContact OE1-NH2 2.63Å; E546-R553 PolarHBondContact OE1-NH2 2.83Å; E546-M618 HydrophobicContact CB-CE 3.51Å; E546-M618 HydrophobicContact CG-CE 4.26Å; E546-M618 VanDerWaalsContact OE2-CE 3.32Å; E546-M618 WeakPolarHBondContact OE2-CE 3.43Å; E546-R626 PolarHBondContact O-NH1 3.49Å; E546-R626 IonicContact OE2-CZ 2.67Å; E546-R626 IonicContact OE2-NH1 3.35Å; E546-R626 PolarHBondContact OE2-NH1 3.4Å; E546-R626 IonicContact OE2-NH2 3.36Å; E546-R626 PolarHBondContact OE2-NH2 3.35Å
547	C	79.4	Confident	79.7	Confident	28 Å²	28	51 Å²	51	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-95.6	-10.7	172.5	-62.3	0	0	0	0	113.6	G543 D544 H545 C622	G543-C547 WeakPolarHBondContact O-CB 3.4Å; G543-C547 PolarHBondContact O-N 3.21Å; G543-C547 PolarHBondContact O-SG 2.9Å; D544-C547 CarbonylContact O-C 3.59Å; D544-C547 PolarHBondContact O-N 3.45Å; H545-C547 PolarHBondContact O-N 3.32Å; C547-C622 WeakPolarHBondContact CA-SG 3.37Å; C547-C622 HydrophobicContact CB-CB 3.7Å; C547-C622 WeakPolarHBondContact CB-SG 3.38Å; C547-C622 WeakPolarHBondContact SG-CB 3.42Å; C547-C622 CovalentContact SG-SG 2.02Å; C547-C622 PolarHBondContact SG-SG 3.33Å
548	G	76	Confident	79.4	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	18.8	-178.2	0	0	0	0	0	114.7	D544 H545	D544-G548 PolarHBondContact O-N 2.8Å; H545-G548 PolarHBondContact O-N 2.95Å; H545-G548 VanDerWaalsContact O-N 3.12Å
549	S	73	Confident	79.4	Confident	79 Å²	79	58.9 Å²	58.9	55%	0.552	33%	0.33	S	S	*	.	S	Bend	trans	-88.6	-22.2	172.8	16.1	0	0	0	0	113	D544	D544-S549 WeakPolarHBondContact CA-OG 3.48Å; D544-S549 WeakPolarHBondContact CB-OG 3.31Å; D544-S549 PolarHBondContact O-N 3.33Å; D544-S549 PolarHBondContact O-OG 3.4Å; D544-S549 WeakPolarHBondContact OD1-CB 3.33Å; D544-S549 PolarHBondContact OD1-OG 3.37Å
550	S	77.4	Confident	79.4	Confident	36 Å²	36	58.8 Å²	58.8	25%	0.252	33%	0.329	S	S	.	.			trans	-128.2	149.6	175.8	178.4	0	0	0	0	111.5	D544 Q552	D544-S550 PolarHBondContact O-N 2.82Å; S550-Q552 PolarHBondContact OG-N 2.81Å; S550-Q552 VanDerWaalsContact OG-N 3.09Å; S550-Q552 PolarHBondContact OG-O 2.84Å
551	S	70.8	Confident	79.4	Confident	110 Å²	110	57 Å²	57	77%	0.769	33%	0.325	S	S	*	.	S	Bend	trans	-92.7	-7.3	170.4	55.6	0	0	0	0	113.8
552	Q	74.8	Confident	79.5	Confident	126 Å²	126	57.9 Å²	57.9	59%	0.589	34%	0.338	S	S	*	.			trans	-113.6	126.5	-178.8	-70.5	172.4	-34.8	0	0	110.7	S550	S550-Q552 PolarHBondContact OG-N 2.81Å; S550-Q552 VanDerWaalsContact OG-N 3.09Å; S550-Q552 PolarHBondContact OG-O 2.84Å
553	R	78.5	Confident	79.7	Confident	95 Å²	95	60.7 Å²	60.7	36%	0.358	35%	0.349	S	S	.	.	S	Bend	trans	-101.1	5.1	177	-156.2	-170.5	179.9	-156.1	1.9	113	A542 H545 E546 Q612	A542-R553 HydrophobicContact CB-CG 4.31Å; H545-R553 HydrophobicContact CB-CB 4.16Å; H545-R553 HydrophobicContact CB-CG 4.13Å; E546-R553 IonicContact OE1-NH2 2.63Å; E546-R553 PolarHBondContact OE1-NH2 2.83Å; R553-Q612 PolarHBondContact O-NE2 2.97Å
554	T	82.1	Confident	79.8	Confident	50 Å²	50	60.7 Å²	60.7	31%	0.307	35%	0.349	S	S	.	.			trans	-136.5	146	-172.1	43.5	0	0	0	0	109	F610 L611 Q612	T554-F610 HydrophobicContact CG2-CB 4.29Å; T554-L611 WeakPolarHBondContact CA-O 3.49Å; T554-Q612 HydrophobicContact CG2-CB 4.27Å
555	L	83	Confident	79.9	Confident	19 Å²	19	62.3 Å²	62.3	10%	0.099	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.2	172.4	-172.9	66.1	0	0	0	108	L538 L541 E559 A560 F610 L611	L538-L555 HydrophobicContact CD2-CB 3.58Å; L538-L555 HydrophobicContact CD2-CD2 3.97Å; L538-L555 HydrophobicContact CD2-CG 4.44Å; L541-L555 HydrophobicContact CD1-CB 4.19Å; L541-L555 HydrophobicContact CD1-CD1 3.99Å; L541-L555 HydrophobicContact CD1-CD2 4.26Å; L541-L555 HydrophobicContact CD1-CG 4.39Å; L555-E559 HydrophobicContact CD1-CB 3.56Å; L555-E559 HydrophobicContact CD1-CG 4.44Å; L555-E559 HydrophobicContact CG-CB 4.01Å; L555-A560 HydrophobicContact CD2-CB 3.99Å; L555-A560 HydrophobicContact CG-CB 4.46Å; L555-F610 CarbonylContact O-C 3.59Å; L555-F610 WeakPolarHBondContact O-CA 3.4Å; L555-L611 PolarHBondContact N-O 3.3Å; L555-L611 PolarHBondContact O-N 2.97Å
556	S	84.4	Confident	80.1	Confident	24 Å²	24	66.1 Å²	66.1	17%	0.168	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	156	174.7	69.9	0	0	0	0	111.7	Q558 E559 A560 Q609	S556-Q558 PolarHBondContact O-N 3.41Å; S556-E559 VanDerWaalsContact CB-OE2 3.23Å; S556-E559 WeakPolarHBondContact CB-OE2 3.25Å; S556-E559 PolarHBondContact N-OE2 3.36Å; S556-E559 PolarHBondContact O-N 3.28Å; S556-E559 VanDerWaalsContact OG-CG 3.24Å; S556-E559 WeakPolarHBondContact OG-CG 3.47Å; S556-E559 PolarHBondContact OG-N 3.26Å; S556-E559 PolarHBondContact OG-OE2 3.46Å; S556-A560 WeakPolarHBondContact O-CB 3.31Å; S556-A560 PolarHBondContact O-N 2.9Å; S556-Q609 CarbonylContact C-O 3.57Å; S556-Q609 VanDerWaalsContact CA-O 3.29Å; S556-Q609 WeakPolarHBondContact CA-O 3.4Å
557	V	81.9	Confident	80.2	Confident	32 Å²	32	66.9 Å²	66.9	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-31.1	175.1	172.3	0	0	0	0	111.9	A561 F575 L579 V608 Q609 L611	V557-A561 WeakPolarHBondContact O-CB 3.2Å; V557-A561 PolarHBondContact O-N 2.91Å; V557-F575 HydrophobicContact CG1-CE1 3.86Å; V557-F575 HydrophobicContact CG1-CZ 4.08Å; V557-L579 HydrophobicContact CG1-CD1 4.37Å; V557-V608 HydrophobicContact CG2-CB 4.27Å; V557-V608 HydrophobicContact CG2-CG1 3.74Å; V557-V608 WeakPolarHBondContact CG2-O 2.79Å; V557-Q609 PolarHBondContact N-O 3.34Å; V557-L611 HydrophobicContact CG2-CD1 4.18Å; V557-L611 HydrophobicContact CG2-CG 4.24Å
558	Q	77.9	Confident	80.3	Confident	167 Å²	167	66.2 Å²	66.2	78%	0.78	38%	0.379	S	S	*	.	H	α-helix	trans	-68.9	-43.1	176.3	-63.6	-177.5	5.6	0	0	112.1	S556 A561 A562	S556-Q558 PolarHBondContact O-N 3.41Å; Q558-A561 PolarHBondContact O-N 2.92Å; Q558-A562 WeakPolarHBondContact O-CB 3.32Å; Q558-A562 PolarHBondContact O-N 2.96Å
559	E	83.3	Confident	80.3	Confident	99 Å²	99	68 Å²	68	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-70	-34.6	175.9	-66.1	159.8	131	0	0	112	L555 S556 A562 Y563	L555-E559 HydrophobicContact CD1-CB 3.56Å; L555-E559 HydrophobicContact CD1-CG 4.44Å; L555-E559 HydrophobicContact CG-CB 4.01Å; S556-E559 VanDerWaalsContact CB-OE2 3.23Å; S556-E559 WeakPolarHBondContact CB-OE2 3.25Å; S556-E559 PolarHBondContact N-OE2 3.36Å; S556-E559 PolarHBondContact O-N 3.28Å; S556-E559 VanDerWaalsContact OG-CG 3.24Å; S556-E559 WeakPolarHBondContact OG-CG 3.47Å; S556-E559 PolarHBondContact OG-N 3.26Å; S556-E559 PolarHBondContact OG-OE2 3.46Å; E559-A562 PolarHBondContact O-N 2.94Å; E559-Y563 WeakPolarHBondContact O-CB 3.49Å; E559-Y563 PolarHBondContact O-N 2.81Å
560	A	82.7	Confident	80.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-65.2	-44.5	173.3	0	0	0	0	0	112.2	L534 L555 S556 Y563 L564 F575 L611	L534-A560 HydrophobicContact CD1-CB 3.89Å; L555-A560 HydrophobicContact CD2-CB 3.99Å; L555-A560 HydrophobicContact CG-CB 4.46Å; S556-A560 WeakPolarHBondContact O-CB 3.31Å; S556-A560 PolarHBondContact O-N 2.9Å; A560-Y563 PolarHBondContact O-N 3.26Å; A560-L564 PolarHBondContact O-N 3.46Å; A560-F575 HydrophobicContact CB-CE2 4.33Å; A560-F575 HydrophobicContact CB-CZ 3.92Å; A560-L611 HydrophobicContact CB-CD1 3.62Å
561	A	81.3	Confident	80	Confident	27 Å²	27	71.4 Å²	71.4	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-43.9	173.7	0	0	0	0	0	111.5	V557 Q558 Y563 L564 K565 F575	V557-A561 WeakPolarHBondContact O-CB 3.2Å; V557-A561 PolarHBondContact O-N 2.91Å; Q558-A561 PolarHBondContact O-N 2.92Å; A561-Y563 PolarHBondContact O-N 2.81Å; A561-L564 PolarHBondContact O-N 3.42Å; A561-K565 WeakPolarHBondContact O-CB 3.08Å; A561-K565 PolarHBondContact O-N 3.43Å; A561-F575 HydrophobicContact CB-CD1 4.14Å; A561-F575 HydrophobicContact CB-CE1 3.84Å
562	A	84.2	Confident	80.1	Confident	58 Å²	58	70 Å²	70	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.9	0	0	0	0	0	112.6	Q558 E559 K565 D566	Q558-A562 WeakPolarHBondContact O-CB 3.32Å; Q558-A562 PolarHBondContact O-N 2.96Å; E559-A562 PolarHBondContact O-N 2.94Å; A562-K565 PolarHBondContact O-N 2.84Å; A562-D566 PolarHBondContact O-N 2.95Å
563	Y	84	Confident	79.9	Confident	59 Å²	59	66.8 Å²	66.8	23%	0.231	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-40.2	175.6	176.2	-109.6	0	0	0	112.9	R537 E559 A560 A561 L567	R537-Y563 HydrophobicContact CB-CD1 4.13Å; R537-Y563 HydrophobicContact CB-CE1 3.53Å; R537-Y563 HydrophobicContact CG-CD1 3.94Å; R537-Y563 HydrophobicContact CG-CD2 4.4Å; R537-Y563 HydrophobicContact CG-CE1 3.71Å; R537-Y563 HydrophobicContact CG-CE2 4.2Å; R537-Y563 HydrophobicContact CG-CG 4.28Å; E559-Y563 WeakPolarHBondContact O-CB 3.49Å; E559-Y563 PolarHBondContact O-N 2.81Å; A560-Y563 PolarHBondContact O-N 3.26Å; A561-Y563 PolarHBondContact O-N 2.81Å; Y563-L567 HydrophobicContact CD1-CD1 4.23Å; Y563-L567 HydrophobicContact CE1-CD1 3.73Å; Y563-L567 HydrophobicContact CE2-CD1 4.38Å; Y563-L567 PolarHBondContact O-N 3.36Å
564	L	83.3	Confident	79.9	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-71.2	-34.9	175.3	-70.2	171	0	0	0	112.2	A560 A561 L567 G568 F575	A560-L564 PolarHBondContact O-N 3.46Å; A561-L564 PolarHBondContact O-N 3.42Å; L564-L567 HydrophobicContact CD2-CD1 4.37Å; L564-L567 WeakPolarHBondContact O-CB 3.47Å; L564-L567 PolarHBondContact O-N 3.39Å; L564-G568 PolarHBondContact O-N 3.02Å; L564-G568 VanDerWaalsContact O-N 3.08Å; L564-F575 HydrophobicContact CD1-CB 4.1Å; L564-F575 HydrophobicContact CD1-CD2 3.29Å; L564-F575 HydrophobicContact CD1-CE2 3.83Å; L564-F575 HydrophobicContact CD1-CG 3.84Å
565	K	82.9	Confident	79.8	Confident	110 Å²	110	61.7 Å²	61.7	48%	0.478	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-38.5	175.6	-167.6	-176.6	-169.4	75.1	0	112.6	A561 A562 L567 G568 E572	A561-K565 WeakPolarHBondContact O-CB 3.08Å; A561-K565 PolarHBondContact O-N 3.43Å; A562-K565 PolarHBondContact O-N 2.84Å; K565-L567 VanDerWaalsContact C-N 3.34Å; K565-G568 PolarHBondContact O-N 2.86Å; K565-E572 IonicContact NZ-OE1 2.58Å; K565-E572 PolarHBondContact NZ-OE1 3.02Å; K565-E572 IonicContact NZ-OE2 3.75Å; K565-E572 PolarHBondContact NZ-OE2 2.95Å
566	D	83.6	Confident	79.8	Confident	145 Å²	145	65.1 Å²	65.1	78%	0.775	36%	0.357	S	S	*	.	H	α-helix	trans	-66.6	-33.6	174.3	-169.5	62	0	0	0	112.3	A562	A562-D566 PolarHBondContact O-N 2.95Å
567	L	80.2	Confident	79.5	Confident	71 Å²	71	67 Å²	67	37%	0.372	37%	0.368	S	S	.	.	H	α-helix	trans	-73.4	-25.4	173.4	-72.2	167	0	0	0	113.5	K533 Y563 L564 K565 Y571	K533-L567 HydrophobicContact CB-CD1 4.32Å; Y563-L567 HydrophobicContact CD1-CD1 4.23Å; Y563-L567 HydrophobicContact CE1-CD1 3.73Å; Y563-L567 HydrophobicContact CE2-CD1 4.38Å; Y563-L567 PolarHBondContact O-N 3.36Å; L564-L567 HydrophobicContact CD2-CD1 4.37Å; L564-L567 WeakPolarHBondContact O-CB 3.47Å; L564-L567 PolarHBondContact O-N 3.39Å; K565-L567 VanDerWaalsContact C-N 3.34Å; L567-Y571 HydrophobicContact CB-CD2 4.01Å; L567-Y571 HydrophobicContact CB-CE2 4.03Å; L567-Y571 WeakPolarHBondContact O-CE2 3.13Å
568	G	81.7	Confident	79.4	Confident	15 Å²	15	65.5 Å²	65.5	16%	0.155	36%	0.359	C	S	.	.			trans	155.4	148.7	172.6	0	0	0	0	0	114.3	L564 K565 E570 Y571	L564-G568 PolarHBondContact O-N 3.02Å; L564-G568 VanDerWaalsContact O-N 3.08Å; K565-G568 PolarHBondContact O-N 2.86Å; G568-E570 VanDerWaalsContact C-N 3.25Å; G568-E570 PolarHBondContact O-N 3.3Å; G568-Y571 WeakPolarHBondContact O-CD2 3.41Å; G568-Y571 PolarHBondContact O-N 2.98Å
569	P	74.9	Confident	79.3	Confident	105 Å²	105	57.6 Å²	57.6	68%	0.682	32%	0.322	S	S	*	.	H	α-helix	trans	-66.8	-24.1	-176.2	28.1	-35.8	0	0	0	113.7	Y571 E572	P569-Y571 PolarHBondContact O-N 2.85Å; P569-E572 PolarHBondContact O-N 3.28Å
570	E	72.8	Confident	78.9	Confident	139 Å²	139	56.8 Å²	56.8	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-62.7	-26.6	178.2	-62	177.8	-170.8	0	0	112.7	L526 G568	L526-E570 HydrophobicContact CD2-CB 4.44Å; G568-E570 VanDerWaalsContact C-N 3.25Å; G568-E570 PolarHBondContact O-N 3.3Å
571	Y	72.1	Confident	78.6	Confident	47 Å²	47	57.5 Å²	57.5	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-80	-25.8	-179.6	-57.2	-59.8	0	0	0	113.2	L526 N529 T530 L567 G568 P569 G573 I574 F575	L526-Y571 HydrophobicContact CD1-CD1 3.78Å; L526-Y571 HydrophobicContact CD1-CE1 3.42Å; L526-Y571 VanDerWaalsContact CD1-CE1 3.42Å; N529-Y571 PolarHBondContact ND2-OH 3.17Å; T530-Y571 HydrophobicContact CG2-CD1 3.39Å; T530-Y571 HydrophobicContact CG2-CE1 4.31Å; T530-Y571 HydrophobicContact CG2-CG 3.98Å; L567-Y571 HydrophobicContact CB-CD2 4.01Å; L567-Y571 HydrophobicContact CB-CE2 4.03Å; L567-Y571 WeakPolarHBondContact O-CE2 3.13Å; G568-Y571 WeakPolarHBondContact O-CD2 3.41Å; G568-Y571 PolarHBondContact O-N 2.98Å; P569-Y571 PolarHBondContact O-N 2.85Å; Y571-G573 PolarHBondContact O-N 3.44Å; Y571-I574 PolarHBondContact O-N 3.47Å; Y571-F575 PolarHBondContact O-N 2.77Å; Y571-F575 VanDerWaalsContact O-N 3.07Å
572	E	72.7	Confident	78.3	Confident	80 Å²	80	56.9 Å²	56.9	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-38	-175.8	-171.8	170.7	-159.4	0	0	112.1	K565 P569 I574	K565-E572 IonicContact NZ-OE1 2.58Å; K565-E572 PolarHBondContact NZ-OE1 3.02Å; K565-E572 IonicContact NZ-OE2 3.75Å; K565-E572 PolarHBondContact NZ-OE2 2.95Å; P569-E572 PolarHBondContact O-N 3.28Å; E572-I574 VanDerWaalsContact C-N 3.31Å; E572-I574 PolarHBondContact O-N 2.98Å
573	G	70.8	Confident	77.8	Confident	60 Å²	60	56.2 Å²	56.2	62%	0.619	30%	0.302	S	S	*	.	H	α-helix	trans	-71.7	-20.7	177	0	0	0	0	0	114.8	Y571	Y571-G573 PolarHBondContact O-N 3.44Å
574	I	79.3	Confident	77.1	Confident	31 Å²	31	59 Å²	59	16%	0.159	32%	0.317	C	S	.	.	H	α-helix	trans	-102	-19	-175.7	-69.8	168.4	0	0	0	112	L526 M527 Y571 E572 N576 T577 S578	L526-I574 HydrophobicContact CB-CD1 4.12Å; L526-I574 HydrophobicContact CD2-CD1 3.4Å; L526-I574 HydrophobicContact CG-CD1 3.65Å; M527-I574 HydrophobicContact CB-CG2 3.76Å; M527-I574 HydrophobicContact CG-CG2 4.02Å; M527-I574 HydrophobicContact SD-CG2 4.43Å; Y571-I574 PolarHBondContact O-N 3.47Å; E572-I574 VanDerWaalsContact C-N 3.31Å; E572-I574 PolarHBondContact O-N 2.98Å; I574-N576 PolarHBondContact O-N 2.86Å; I574-T577 WeakPolarHBondContact O-CB 3.33Å; I574-T577 PolarHBondContact O-N 3.49Å; I574-S578 PolarHBondContact O-N 3.32Å
575	F	80.1	Confident	76.2	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-53.4	-48.2	178.8	177.5	-123.7	0	0	0	113.1	L534 V557 A560 A561 L564 Y571 T577 S578 L579 L611	L534-F575 HydrophobicContact CD2-CE2 3.93Å; V557-F575 HydrophobicContact CG1-CE1 3.86Å; V557-F575 HydrophobicContact CG1-CZ 4.08Å; A560-F575 HydrophobicContact CB-CE2 4.33Å; A560-F575 HydrophobicContact CB-CZ 3.92Å; A561-F575 HydrophobicContact CB-CD1 4.14Å; A561-F575 HydrophobicContact CB-CE1 3.84Å; L564-F575 HydrophobicContact CD1-CB 4.1Å; L564-F575 HydrophobicContact CD1-CD2 3.29Å; L564-F575 HydrophobicContact CD1-CE2 3.83Å; L564-F575 HydrophobicContact CD1-CG 3.84Å; Y571-F575 PolarHBondContact O-N 2.77Å; Y571-F575 VanDerWaalsContact O-N 3.07Å; F575-T577 PolarHBondContact O-N 3.3Å; F575-S578 PolarHBondContact O-N 3.42Å; F575-S578 PolarHBondContact O-OG 2.84Å; F575-L579 HydrophobicContact CD1-CD1 4.36Å; F575-L579 HydrophobicContact CD2-CD1 4.47Å; F575-L579 HydrophobicContact CD2-CG 4.32Å; F575-L579 HydrophobicContact CE1-CD1 3.85Å; F575-L579 HydrophobicContact CE2-CD1 3.98Å; F575-L579 HydrophobicContact CE2-CD2 4.17Å; F575-L579 HydrophobicContact CE2-CG 4.02Å; F575-L579 HydrophobicContact CZ-CD1 3.66Å; F575-L579 HydrophobicContact CZ-CD2 4.48Å; F575-L579 HydrophobicContact CZ-CG 4.23Å; F575-L579 PolarHBondContact O-N 3.3Å; F575-L611 HydrophobicContact CE2-CD1 4.47Å; F575-L611 HydrophobicContact CZ-CD1 4.28Å
576	N	81.9	Confident	75	Confident	91 Å²	91	59.6 Å²	59.6	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-42.7	-180	-65.3	-24.7	0	0	0	111.8	I574 S578 L579 Q580	I574-N576 PolarHBondContact O-N 2.86Å; N576-S578 VanDerWaalsContact C-N 3.31Å; N576-S578 PolarHBondContact O-N 3.45Å; N576-L579 PolarHBondContact O-N 2.72Å; N576-Q580 PolarHBondContact O-N 2.75Å
577	T	78.8	Confident	73.8	Confident	63 Å²	63	59.9 Å²	59.9	39%	0.387	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-37.9	175.1	-43	0	0	0	0	111.8	M527 I574 F575 Q580 W581	M527-T577 HydrophobicContact SD-CG2 4.4Å; I574-T577 WeakPolarHBondContact O-CB 3.33Å; I574-T577 PolarHBondContact O-N 3.49Å; F575-T577 PolarHBondContact O-N 3.3Å; T577-Q580 PolarHBondContact O-N 3.35Å; T577-W581 WeakPolarHBondContact O-CB 3.48Å; T577-W581 PolarHBondContact O-N 3.33Å
578	S	78.2	Confident	72.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-72.9	-33.5	178.3	78.1	0	0	0	0	113.2	I574 F575 N576 I582	I574-S578 PolarHBondContact O-N 3.32Å; F575-S578 PolarHBondContact O-N 3.42Å; F575-S578 PolarHBondContact O-OG 2.84Å; N576-S578 VanDerWaalsContact C-N 3.31Å; N576-S578 PolarHBondContact O-N 3.45Å; S578-I582 WeakPolarHBondContact O-CG1 3.34Å; S578-I582 PolarHBondContact O-N 2.88Å; S578-I582 VanDerWaalsContact O-N 3.12Å
579	L	77.6	Confident	72.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-43.9	170.9	-71	-179.7	0	0	0	111.1	V557 F575 N576 W581 I582 L583 I605 L611	V557-L579 HydrophobicContact CG1-CD1 4.37Å; F575-L579 HydrophobicContact CD1-CD1 4.36Å; F575-L579 HydrophobicContact CD2-CD1 4.47Å; F575-L579 HydrophobicContact CD2-CG 4.32Å; F575-L579 HydrophobicContact CE1-CD1 3.85Å; F575-L579 HydrophobicContact CE2-CD1 3.98Å; F575-L579 HydrophobicContact CE2-CD2 4.17Å; F575-L579 HydrophobicContact CE2-CG 4.02Å; F575-L579 HydrophobicContact CZ-CD1 3.66Å; F575-L579 HydrophobicContact CZ-CD2 4.48Å; F575-L579 HydrophobicContact CZ-CG 4.23Å; F575-L579 PolarHBondContact O-N 3.3Å; N576-L579 PolarHBondContact O-N 2.72Å; L579-W581 VanDerWaalsContact C-N 3.31Å; L579-W581 PolarHBondContact O-N 3.07Å; L579-I582 HydrophobicContact CD2-CD1 4.42Å; L579-I582 PolarHBondContact O-N 3.31Å; L579-L583 WeakPolarHBondContact O-CG 3.48Å; L579-L583 PolarHBondContact O-N 3.43Å; L579-L583 VanDerWaalsContact O-N 3.11Å; L579-I605 HydrophobicContact CB-CG2 4.47Å; L579-L611 HydrophobicContact CD2-CD1 4.46Å; L579-L611 HydrophobicContact CD2-CD2 3.83Å
580	Q	75	Confident	71.6	Confident	83 Å²	83	58.7 Å²	58.7	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-44.7	174.6	-171.4	174.6	-17.9	0	0	111.2	N576 T577 I582 L583 E584 I605	N576-Q580 PolarHBondContact O-N 2.75Å; T577-Q580 PolarHBondContact O-N 3.35Å; Q580-I582 VanDerWaalsContact C-N 3.35Å; Q580-I582 PolarHBondContact O-N 3.13Å; Q580-L583 PolarHBondContact O-N 3.24Å; Q580-E584 HydrophobicContact CG-CG 4.28Å; Q580-E584 WeakPolarHBondContact CG-OE1 3.46Å; Q580-E584 PolarHBondContact NE2-OE1 3.48Å; Q580-E584 WeakPolarHBondContact O-CG 3.38Å; Q580-E584 PolarHBondContact O-N 3.42Å; Q580-I605 HydrophobicContact CB-CD1 3.75Å; Q580-I605 HydrophobicContact CB-CG1 4.21Å; Q580-I605 HydrophobicContact CG-CD1 4.11Å
581	W	75.8	Confident	71.9	Confident	14 Å²	14	52.5 Å²	52.5	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-37.2	177.4	179.8	82.2	0	0	0	113.1	P511 F512 M527 L531 T577 L579 N585 V589	P511-W581 HydrophobicContact CB-CH2 3.86Å; P511-W581 HydrophobicContact CB-CZ2 3.59Å; F512-W581 AromaticContact CD1-NE1 3.75Å; F512-W581 AromaticContact CE1-CD1 3.88Å; F512-W581 HydrophobicContact CE1-CD2 4.4Å; F512-W581 AromaticContact CE1-CE2 3.86Å; F512-W581 HydrophobicContact CE1-CG 4.44Å; F512-W581 HydrophobicContact CE1-CZ2 4.41Å; F512-W581 AromaticContact CE1-NE1 3.48Å; M527-W581 HydrophobicContact CE-CB 4.41Å; M527-W581 HydrophobicContact CE-CG 4.23Å; L531-W581 HydrophobicContact CD1-CE3 3.84Å; L531-W581 HydrophobicContact CD1-CZ3 3.79Å; T577-W581 WeakPolarHBondContact O-CB 3.48Å; T577-W581 PolarHBondContact O-N 3.33Å; L579-W581 VanDerWaalsContact C-N 3.31Å; L579-W581 PolarHBondContact O-N 3.07Å; W581-N585 PolarHBondContact NE1-ND2 3.38Å; W581-N585 WeakPolarHBondContact O-CB 3.21Å; W581-N585 PolarHBondContact O-N 3.37Å; W581-N585 PolarHBondContact O-ND2 3.04Å; W581-V589 HydrophobicContact CH2-CG1 4.39Å; W581-V589 HydrophobicContact CH2-CG2 4.17Å; W581-V589 HydrophobicContact CZ3-CG1 4.17Å; W581-V589 HydrophobicContact CZ3-CG2 3.91Å
582	I	75.4	Confident	72	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.072	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-48	172.7	-69.2	162.3	0	0	0	110.7	L531 S578 L579 Q580 G586 I591	L531-I582 HydrophobicContact CD2-CD1 3.65Å; L531-I582 HydrophobicContact CD2-CG1 4.15Å; S578-I582 WeakPolarHBondContact O-CG1 3.34Å; S578-I582 PolarHBondContact O-N 2.88Å; S578-I582 VanDerWaalsContact O-N 3.12Å; L579-I582 HydrophobicContact CD2-CD1 4.42Å; L579-I582 PolarHBondContact O-N 3.31Å; Q580-I582 VanDerWaalsContact C-N 3.35Å; Q580-I582 PolarHBondContact O-N 3.13Å; I582-G586 PolarHBondContact O-N 3.28Å; I582-I591 HydrophobicContact CD1-CB 4.42Å; I582-I591 HydrophobicContact CD1-CG2 4.33Å
583	L	72.9	Confident	72.1	Confident	44 Å²	44	53.8 Å²	53.8	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-47.9	-178.9	-67.4	170.3	0	0	0	111.7	L579 Q580 N585 C593 L602 I605 V608	L579-L583 WeakPolarHBondContact O-CG 3.48Å; L579-L583 PolarHBondContact O-N 3.43Å; L579-L583 VanDerWaalsContact O-N 3.11Å; Q580-L583 PolarHBondContact O-N 3.24Å; L583-N585 VanDerWaalsContact C-N 3.32Å; L583-N585 PolarHBondContact O-N 3.33Å; L583-C593 HydrophobicContact CD2-CB 4.22Å; L583-L602 HydrophobicContact CD2-CB 4.05Å; L583-I605 HydrophobicContact CD1-CG1 4.31Å; L583-V608 HydrophobicContact CD1-CG2 4.18Å; L583-V608 HydrophobicContact CD2-CG2 4.48Å
584	E	68.9	Low	72.2	Confident	118 Å²	118	52.4 Å²	52.4	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-66.6	-27.8	-177.5	-73.8	178.3	-179.8	0	0	114.1	Q580	Q580-E584 HydrophobicContact CG-CG 4.28Å; Q580-E584 WeakPolarHBondContact CG-OE1 3.46Å; Q580-E584 PolarHBondContact NE2-OE1 3.48Å; Q580-E584 WeakPolarHBondContact O-CG 3.38Å; Q580-E584 PolarHBondContact O-N 3.42Å
585	N	65.6	Low	71.8	Confident	49 Å²	49	51.1 Å²	51.1	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-97.4	-16.7	-172.6	-74.4	-95.3	0	0	0	114.3	W581 L583 K587	W581-N585 PolarHBondContact NE1-ND2 3.38Å; W581-N585 WeakPolarHBondContact O-CB 3.21Å; W581-N585 PolarHBondContact O-N 3.37Å; W581-N585 PolarHBondContact O-ND2 3.04Å; L583-N585 VanDerWaalsContact C-N 3.32Å; L583-N585 PolarHBondContact O-N 3.33Å; N585-K587 WeakPolarHBondContact O-CG 3.3Å; N585-K587 PolarHBondContact O-N 2.95Å
586	G	57.5	Low	70.9	Confident	75 Å²	75	59.3 Å²	59.3	77%	0.773	31%	0.31	S	S	*	.			trans	59.7	2.3	172.2	0	0	0	0	0	117.1	I582	I582-G586 PolarHBondContact O-N 3.28Å
587	K	58.1	Low	69.7	Low	151 Å²	151	56 Å²	56	66%	0.657	30%	0.297	S	S	*	.			trans	-88.6	144.8	-177.7	-72.6	167.2	-175.5	173.9	0	110.3	N585 V589	N585-K587 WeakPolarHBondContact O-CG 3.3Å; N585-K587 PolarHBondContact O-N 2.95Å; K587-V589 VanDerWaalsContact C-N 3.31Å; K587-V589 WeakPolarHBondContact O-CG2 3.27Å; K587-V589 PolarHBondContact O-N 3Å
588	D	59.1	Low	68.5	Low	108 Å²	108	58.5 Å²	58.5	58%	0.578	32%	0.315	S	S	*	.			trans	-76.3	76	-173.4	-153.4	-25.8	0	0	0	111.8	G590 T614	D588-G590 PolarHBondContact O-N 3.36Å; D588-T614 WeakPolarHBondContact OD1-CG2 3.37Å; D588-T614 PolarHBondContact OD1-OG1 3.48Å
589	V	65.8	Low	67.2	Low	56 Å²	56	67.5 Å²	67.5	34%	0.339	36%	0.356	S	S	.	.			trans	-70.4	15.3	-179.9	-147.7	0	0	0	0	112.9	W581 K587 I591	W581-V589 HydrophobicContact CH2-CG1 4.39Å; W581-V589 HydrophobicContact CH2-CG2 4.17Å; W581-V589 HydrophobicContact CZ3-CG1 4.17Å; W581-V589 HydrophobicContact CZ3-CG2 3.91Å; K587-V589 VanDerWaalsContact C-N 3.31Å; K587-V589 WeakPolarHBondContact O-CG2 3.27Å; K587-V589 PolarHBondContact O-N 3Å; V589-I591 PolarHBondContact O-N 2.87Å
590	G	66.1	Low	66	Low	2 Å²	2	73.3 Å²	73.3	2%	0.021	38%	0.384	C	S	.	.	S	Bend	trans	81	-6.3	-173.9	0	0	0	0	0	114.6	D588 S613 T614	D588-G590 PolarHBondContact O-N 3.36Å; G590-S613 CarbonylContact O-C 3.57Å; G590-S613 WeakPolarHBondContact O-CA 3.5Å; G590-T614 WeakPolarHBondContact CA-OG1 3.45Å; G590-T614 PolarHBondContact O-N 2.78Å
591	I	78.4	Confident	65	Low	9 Å²	9	78.2 Å²	78.2	5%	0.046	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.9	177.8	-56.7	178.9	0	0	0	109.3	L531 L534 H535 L538 I582 V589 L611	L531-I591 HydrophobicContact CD2-CD1 4.5Å; L534-I591 HydrophobicContact CB-CD1 4.32Å; L534-I591 HydrophobicContact CD2-CD1 4.06Å; L534-I591 HydrophobicContact CG-CD1 4.07Å; H535-I591 HydrophobicContact CB-CD1 4.09Å; H535-I591 HydrophobicContact CB-CG1 4.15Å; L538-I591 HydrophobicContact CD1-CD1 4.21Å; L538-I591 HydrophobicContact CD1-CG1 4.11Å; L538-I591 HydrophobicContact CD1-CG2 3.89Å; I582-I591 HydrophobicContact CD1-CB 4.42Å; I582-I591 HydrophobicContact CD1-CG2 4.33Å; V589-I591 PolarHBondContact O-N 2.87Å; I591-L611 HydrophobicContact CG2-CD2 3.97Å
592	R	74.6	Confident	64.2	Low	133 Å²	133	78.9 Å²	78.9	50%	0.502	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.7	171.9	177.9	-178.7	-67.3	-154	-3.8	109.6	V594 Q612 T614	R592-V594 HydrophobicContact CG-CG2 3.97Å; R592-Q612 PolarHBondContact N-O 2.88Å; R592-Q612 PolarHBondContact O-N 3.15Å; R592-T614 HydrophobicContact CB-CG2 4.07Å
593	C	74.5	Confident	63.3	Low	20 Å²	20	83.7 Å²	83.7	14%	0.135	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	140.6	166	-63.3	0	0	0	0	109.5	L583 L602 V608	L583-C593 HydrophobicContact CD2-CB 4.22Å; C593-L602 HydrophobicContact CB-CD1 4.04Å; C593-V608 HydrophobicContact CB-CG1 3.72Å; C593-V608 HydrophobicContact CB-CG2 4.01Å
594	V	72.4	Confident	62.7	Low	31 Å²	31	86 Å²	86	19%	0.188	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.8	-180	-175.5	0	0	0	0	109.6	R592 Q609 F610	R592-V594 HydrophobicContact CG-CG2 3.97Å; V594-Q609 PolarHBondContact O-N 3.31Å; V594-F610 HydrophobicContact CB-CB 4.24Å; V594-F610 PolarHBondContact N-O 3.21Å; V594-F610 PolarHBondContact O-N 3.07Å
595	G	71.1	Confident	62.3	Low	4 Å²	4	83.2 Å²	83.2	4%	0.041	44%	0.442	C	S	.	.			trans	-92.7	-147.1	-178.8	0	0	0	0	0	112.8	D607	G595-D607 WeakPolarHBondContact CA-O 3.47Å
596	F	60.8	Low	62.1	Low	178 Å²	178	86.6 Å²	86.6	78%	0.781	46%	0.464	S	S	*	.	S	Bend	trans	-75.8	-29.4	176.2	-138.6	-99.5	0	0	0	112.1
597	G	57	Low	62.4	Low	22 Å²	22	86.4 Å²	86.4	23%	0.227	45%	0.446	C	S	.	.	S	Bend	trans	-106.7	154.4	169.3	0	0	0	0	0	113.3
598	P	54.3	Low	62.9	Low	116 Å²	116	79.6 Å²	79.6	75%	0.753	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9	179.7	32.9	-35.9	0	0	0	115
599	E	50.9	Low	63.4	Low	189 Å²	189	78.7 Å²	78.7	88%	0.883	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	12.2	-171.9	-64.8	-91.1	128.9	0	0	112.2
600	E	51.9	Low	64	Low	123 Å²	123	79.5 Å²	79.5	58%	0.575	41%	0.408	S	S	*	.			trans	-93.8	124.1	-171.9	-163.3	161	-139.6	0	0	111.1	L602	E600-L602 PolarHBondContact O-N 2.93Å
601	E	53.3	Low	64.6	Low	186 Å²	186	79.4 Å²	79.4	87%	0.869	41%	0.407	S	S	*	.			trans	-82.2	95.6	-175.5	-166.1	164.3	-135.6	0	0	110.6	T603	E601-T603 PolarHBondContact O-N 3.12Å
602	L	60	Low	64.7	Low	29 Å²	29	80.5 Å²	80.5	15%	0.152	41%	0.412	C	S	.	.			trans	-69.7	119.9	-169.1	-65.1	162	0	0	0	112.5	L583 C593 E600 D607 V608	L583-L602 HydrophobicContact CD2-CB 4.05Å; C593-L602 HydrophobicContact CB-CD1 4.04Å; E600-L602 PolarHBondContact O-N 2.93Å; L602-D607 HydrophobicContact CD2-CB 3.64Å; L602-V608 HydrophobicContact CD1-CG2 4.31Å
603	T	56.6	Low	64.9	Low	115 Å²	115	74.2 Å²	74.2	71%	0.706	39%	0.389	S	S	*	.			trans	-105.1	-13.6	179.6	51.1	0	0	0	0	114.3	E601	E601-T603 PolarHBondContact O-N 3.12Å
604	N	59.8	Low	64.7	Low	91 Å²	91	75.4 Å²	75.4	49%	0.487	40%	0.395	S	S	.	.	S	Bend	trans	-131.4	150.5	178.5	-66.8	-83.9	0	0	0	112.9	T606 D607	N604-T606 WeakPolarHBondContact CB-OG1 3.42Å; N604-T606 PolarHBondContact O-N 2.77Å; N604-D607 PolarHBondContact O-N 2.97Å
605	I	61.2	Low	64.8	Low	61 Å²	61	81.6 Å²	81.6	31%	0.313	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-63.1	-30.3	180	-48.9	168.2	0	0	0	111.5	L579 Q580 L583 D607 V608	L579-I605 HydrophobicContact CB-CG2 4.47Å; Q580-I605 HydrophobicContact CB-CD1 3.75Å; Q580-I605 HydrophobicContact CB-CG1 4.21Å; Q580-I605 HydrophobicContact CG-CD1 4.11Å; L583-I605 HydrophobicContact CD1-CG1 4.31Å; I605-D607 PolarHBondContact O-N 3.42Å; I605-V608 PolarHBondContact O-N 3.25Å
606	T	61.6	Low	65.1	Low	119 Å²	119	82.9 Å²	82.9	73%	0.73	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-60.3	-24.7	179.4	43.5	0	0	0	0	114.1	N604	N604-T606 WeakPolarHBondContact CB-OG1 3.42Å; N604-T606 PolarHBondContact O-N 2.77Å
607	D	62	Low	65.7	Low	71 Å²	71	79 Å²	79	38%	0.38	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-97	-9.8	-166	-47.6	-19.9	0	0	0	110.8	G595 L602 N604 I605 Q609	G595-D607 WeakPolarHBondContact CA-O 3.47Å; L602-D607 HydrophobicContact CD2-CB 3.64Å; N604-D607 PolarHBondContact O-N 2.97Å; I605-D607 PolarHBondContact O-N 3.42Å; D607-Q609 PolarHBondContact O-N 2.98Å
608	V	69.2	Low	66.4	Low	9 Å²	9	78.9 Å²	78.9	6%	0.055	40%	0.404	C	S	.	.			trans	-76.9	110.3	174.2	-169.9	0	0	0	0	109.6	V557 L583 C593 L602 I605 L611	V557-V608 HydrophobicContact CG2-CB 4.27Å; V557-V608 HydrophobicContact CG2-CG1 3.74Å; V557-V608 WeakPolarHBondContact CG2-O 2.79Å; L583-V608 HydrophobicContact CD1-CG2 4.18Å; L583-V608 HydrophobicContact CD2-CG2 4.48Å; C593-V608 HydrophobicContact CB-CG1 3.72Å; C593-V608 HydrophobicContact CB-CG2 4.01Å; L602-V608 HydrophobicContact CD1-CG2 4.31Å; I605-V608 PolarHBondContact O-N 3.25Å; V608-L611 HydrophobicContact CG1-CD2 4.45Å
609	Q	70.6	Confident	67.5	Low	88 Å²	88	76.7 Å²	76.7	41%	0.411	39%	0.391	S	S	.	.			trans	-99.7	-33.2	170.9	-70.1	-166.6	1.8	0	0	112.6	S556 V557 V594 D607	S556-Q609 CarbonylContact C-O 3.57Å; S556-Q609 VanDerWaalsContact CA-O 3.29Å; S556-Q609 WeakPolarHBondContact CA-O 3.4Å; V557-Q609 PolarHBondContact N-O 3.34Å; V594-Q609 PolarHBondContact O-N 3.31Å; D607-Q609 PolarHBondContact O-N 2.98Å
610	F	78.3	Confident	68.6	Low	74 Å²	74	73.6 Å²	73.6	33%	0.325	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.3	-172.4	-62.5	-75.5	0	0	0	112.9	T554 L555 V594	T554-F610 HydrophobicContact CG2-CB 4.29Å; L555-F610 CarbonylContact O-C 3.59Å; L555-F610 WeakPolarHBondContact O-CA 3.4Å; V594-F610 HydrophobicContact CB-CB 4.24Å; V594-F610 PolarHBondContact N-O 3.21Å; V594-F610 PolarHBondContact O-N 3.07Å
611	L	78.3	Confident	69.7	Low	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.3	175.5	-68.2	162	0	0	0	109.2	L534 L538 T554 L555 V557 A560 F575 L579 I591 V608	L534-L611 HydrophobicContact CD1-CD1 4.46Å; L534-L611 HydrophobicContact CD2-CD1 4.34Å; L538-L611 HydrophobicContact CD1-CB 3.96Å; L538-L611 HydrophobicContact CD2-CB 3.89Å; T554-L611 WeakPolarHBondContact CA-O 3.49Å; L555-L611 PolarHBondContact N-O 3.3Å; L555-L611 PolarHBondContact O-N 2.97Å; V557-L611 HydrophobicContact CG2-CD1 4.18Å; V557-L611 HydrophobicContact CG2-CG 4.24Å; A560-L611 HydrophobicContact CB-CD1 3.62Å; F575-L611 HydrophobicContact CE2-CD1 4.47Å; F575-L611 HydrophobicContact CZ-CD1 4.28Å; L579-L611 HydrophobicContact CD2-CD1 4.46Å; L579-L611 HydrophobicContact CD2-CD2 3.83Å; I591-L611 HydrophobicContact CG2-CD2 3.97Å; V608-L611 HydrophobicContact CG1-CD2 4.45Å
612	Q	81.3	Confident	71.1	Confident	32 Å²	32	68.8 Å²	68.8	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.7	-178.9	178	167.5	96.6	0	0	110.1	R553 T554 R592	R553-Q612 PolarHBondContact O-NE2 2.97Å; T554-Q612 HydrophobicContact CG2-CB 4.27Å; R592-Q612 PolarHBondContact N-O 2.88Å; R592-Q612 PolarHBondContact O-N 3.15Å
613	S	77.8	Confident	72	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.6	169.2	61.8	0	0	0	0	111	L538 A539 A542 G590 R615	L538-S613 PolarHBondContact O-OG 3.34Å; A539-S613 WeakPolarHBondContact CA-OG 3.25Å; A542-S613 WeakPolarHBondContact CB-OG 3.19Å; G590-S613 CarbonylContact O-C 3.57Å; G590-S613 WeakPolarHBondContact O-CA 3.5Å; S613-R615 VanDerWaalsContact C-N 3.27Å
614	T	71.2	Confident	73	Confident	44 Å²	44	68.8 Å²	68.8	27%	0.27	33%	0.333	S	S	.	.	S	Bend	trans	-76	-16.9	168.5	60.3	0	0	0	0	112.3	D588 G590 R592	D588-T614 WeakPolarHBondContact OD1-CG2 3.37Å; D588-T614 PolarHBondContact OD1-OG1 3.48Å; G590-T614 WeakPolarHBondContact CA-OG1 3.45Å; G590-T614 PolarHBondContact O-N 2.78Å; R592-T614 HydrophobicContact CB-CG2 4.07Å
615	R	73.7	Confident	73.9	Confident	161 Å²	161	73 Å²	73	61%	0.608	34%	0.342	S	S	*	.	S	Bend	trans	-118.4	96.1	179.7	-61.9	-176.2	-179.5	-160.9	-0	112.6	A539 S613	A539-R615 VanDerWaalsContact CB-O 3.26Å; A539-R615 WeakPolarHBondContact CB-O 3.41Å; S613-R615 VanDerWaalsContact C-N 3.27Å
616	P	76.8	Confident	74.8	Confident	31 Å²	31	75.9 Å²	75.9	20%	0.201	35%	0.349	C	S	.	.			trans	-74.5	131.2	-179.7	28.4	-34.3	0	0	0	113.6	A542 M618	A542-P616 HydrophobicContact CB-CB 3.94Å; P616-M618 PolarHBondContact O-N 3.34Å
617	L	74.3	Confident	75.8	Confident	96 Å²	96	70.9 Å²	70.9	50%	0.503	32%	0.32	S	S	.	.			trans	-89.3	79.9	178.8	-165.7	79.2	0	0	0	110.9	A539 Q540	A539-L617 HydrophobicContact CB-CB 3.86Å; A539-L617 PolarHBondContact O-N 3.2Å; Q540-L617 HydrophobicContact CG-CD2 4.01Å
618	M	72.1	Confident	76.6	Confident	21 Å²	21	71.9 Å²	71.9	10%	0.103	32%	0.321	C	S	.	.			trans	-74.7	136.3	-179.2	-64	172.3	163.6	0	0	113.6	E546 P616 R623	E546-M618 HydrophobicContact CB-CE 3.51Å; E546-M618 HydrophobicContact CG-CE 4.26Å; E546-M618 VanDerWaalsContact OE2-CE 3.32Å; E546-M618 WeakPolarHBondContact OE2-CE 3.43Å; P616-M618 PolarHBondContact O-N 3.34Å; M618-R623 HydrophobicContact CB-CG 3.74Å; M618-R623 HydrophobicContact CG-CG 4.46Å; M618-R623 HydrophobicContact SD-CG 3.82Å
619	S	76.7	Confident	77.3	Confident	70 Å²	70	75.3 Å²	75.3	49%	0.49	34%	0.342	S	S	.	.			trans	-58.3	144.3	166.7	176.5	0	0	0	0	112.4	W621 C622 R623	S619-W621 VanDerWaalsContact C-N 3.27Å; S619-W621 PolarHBondContact O-N 2.82Å; S619-C622 WeakPolarHBondContact O-CB 2.96Å; S619-C622 PolarHBondContact O-N 3.47Å; S619-R623 PolarHBondContact O-N 3.09Å; S619-R623 VanDerWaalsContact O-N 3.1Å
620	F	73.9	Confident	77.7	Confident	124 Å²	124	74.8 Å²	74.8	54%	0.544	35%	0.345	S	S	.	.	H	α-helix	trans	-50.1	-45.2	177.3	-179.5	-84.8	0	0	0	112.5	M495 C622 R623 F624	M495-F620 HydrophobicContact CE-CD2 4.46Å; M495-F620 HydrophobicContact CE-CE2 3.43Å; M495-F620 VanDerWaalsContact CE-CE2 3.43Å; M495-F620 HydrophobicContact CE-CZ 3.55Å; F620-C622 VanDerWaalsContact C-N 3.29Å; F620-C622 PolarHBondContact O-N 2.9Å; F620-R623 PolarHBondContact O-N 3.11Å; F620-F624 WeakPolarHBondContact O-CB 3.47Å; F620-F624 PolarHBondContact O-N 3.42Å
621	W	75.1	Confident	78	Confident	189 Å²	189	72.3 Å²	72.3	72%	0.716	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-33.7	-179.9	-74.4	108.2	0	0	0	113.3	S619 R625	S619-W621 VanDerWaalsContact C-N 3.27Å; S619-W621 PolarHBondContact O-N 2.82Å; W621-R625 VanDerWaalsContact O-CB 3.26Å; W621-R625 WeakPolarHBondContact O-CB 3.11Å; W621-R625 PolarHBondContact O-N 2.89Å
622	C	82.2	Confident	78.1	Confident	18 Å²	18	74.7 Å²	74.7	12%	0.122	35%	0.351	C	S	.	.	H	α-helix	trans	-72.7	-47.5	177.3	163.7	0	0	0	0	111.6	C547 S619 F620 F624 R625 R626	C547-C622 WeakPolarHBondContact CA-SG 3.37Å; C547-C622 HydrophobicContact CB-CB 3.7Å; C547-C622 WeakPolarHBondContact CB-SG 3.38Å; C547-C622 WeakPolarHBondContact SG-CB 3.42Å; C547-C622 CovalentContact SG-SG 2.02Å; C547-C622 PolarHBondContact SG-SG 3.33Å; S619-C622 WeakPolarHBondContact O-CB 2.96Å; S619-C622 PolarHBondContact O-N 3.47Å; F620-C622 VanDerWaalsContact C-N 3.29Å; F620-C622 PolarHBondContact O-N 2.9Å; C622-F624 VanDerWaalsContact C-N 3.32Å; C622-F624 PolarHBondContact O-N 2.9Å; C622-R625 PolarHBondContact O-N 2.99Å; C622-R626 WeakPolarHBondContact O-CB 3.27Å; C622-R626 PolarHBondContact O-N 3.21Å
623	R	79.7	Confident	78.2	Confident	73 Å²	73	78.4 Å²	78.4	28%	0.275	37%	0.368	S	S	.	.	H	α-helix	trans	-56.7	-46.9	172	-74.8	-176.9	170.4	148.2	3.5	111.1	T498 M618 S619 F620 R626 A627	T498-R623 WeakPolarHBondContact OG1-CD 3.41Å; T498-R623 PolarHBondContact OG1-NE 2.85Å; M618-R623 HydrophobicContact CB-CG 3.74Å; M618-R623 HydrophobicContact CG-CG 4.46Å; M618-R623 HydrophobicContact SD-CG 3.82Å; S619-R623 PolarHBondContact O-N 3.09Å; S619-R623 VanDerWaalsContact O-N 3.1Å; F620-R623 PolarHBondContact O-N 3.11Å; R623-R626 PolarHBondContact O-N 2.97Å; R623-A627 VanDerWaalsContact O-CB 3.25Å; R623-A627 WeakPolarHBondContact O-CB 3.38Å; R623-A627 PolarHBondContact O-N 2.81Å
624	F	76.8	Confident	78.5	Confident	71 Å²	71	87.1 Å²	87.1	31%	0.311	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-48.4	176.5	-176.4	-98	0	0	0	112.3	M495 F620 C622 R626 A627 F628	M495-F624 HydrophobicContact SD-CD2 3.98Å; F620-F624 WeakPolarHBondContact O-CB 3.47Å; F620-F624 PolarHBondContact O-N 3.42Å; C622-F624 VanDerWaalsContact C-N 3.32Å; C622-F624 PolarHBondContact O-N 2.9Å; F624-R626 PolarHBondContact O-N 3.48Å; F624-A627 PolarHBondContact O-N 2.86Å; F624-F628 WeakPolarHBondContact O-CB 3.2Å; F624-F628 PolarHBondContact O-N 3.02Å
625	R	80.3	Confident	79.1	Confident	179 Å²	179	87.6 Å²	87.6	68%	0.675	40%	0.401	S	S	*	.	H	α-helix	trans	-59.3	-47.3	178	-176.1	-178	-179.1	-162	1.1	112	W621 C622 F628 V629	W621-R625 VanDerWaalsContact O-CB 3.26Å; W621-R625 WeakPolarHBondContact O-CB 3.11Å; W621-R625 PolarHBondContact O-N 2.89Å; C622-R625 PolarHBondContact O-N 2.99Å; R625-F628 PolarHBondContact O-N 3.46Å; R625-V629 WeakPolarHBondContact O-CB 3.43Å; R625-V629 VanDerWaalsContact O-CG2 3.31Å; R625-V629 WeakPolarHBondContact O-CG2 3.38Å; R625-V629 PolarHBondContact O-N 3.33Å
626	R	79.9	Confident	79.7	Confident	122 Å²	122	84.6 Å²	84.6	46%	0.46	40%	0.396	S	S	.	.	H	α-helix	trans	-69.3	-39.8	-178.3	-171.6	163.7	167.2	-173.7	-13.4	111.9	E546 C622 R623 F624 T630	E546-R626 PolarHBondContact O-NH1 3.49Å; E546-R626 IonicContact OE2-CZ 2.67Å; E546-R626 IonicContact OE2-NH1 3.35Å; E546-R626 PolarHBondContact OE2-NH1 3.4Å; E546-R626 IonicContact OE2-NH2 3.36Å; E546-R626 PolarHBondContact OE2-NH2 3.35Å; C622-R626 WeakPolarHBondContact O-CB 3.27Å; C622-R626 PolarHBondContact O-N 3.21Å; R623-R626 PolarHBondContact O-N 2.97Å; F624-R626 PolarHBondContact O-N 3.48Å; R626-T630 WeakPolarHBondContact O-CB 3.47Å; R626-T630 PolarHBondContact O-N 2.89Å; R626-T630 VanDerWaalsContact O-N 3.09Å; R626-T630 PolarHBondContact O-OG1 3.13Å
627	A	81.6	Confident	80.3	Confident	14 Å²	14	87.1 Å²	87.1	12%	0.116	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-48.4	171.9	0	0	0	0	0	111.8	R623 F624 V629 T630 V631	R623-A627 VanDerWaalsContact O-CB 3.25Å; R623-A627 WeakPolarHBondContact O-CB 3.38Å; R623-A627 PolarHBondContact O-N 2.81Å; F624-A627 PolarHBondContact O-N 2.86Å; A627-V629 PolarHBondContact O-N 2.89Å; A627-T630 PolarHBondContact O-N 3.11Å; A627-V631 WeakPolarHBondContact O-CB 3.37Å; A627-V631 WeakPolarHBondContact O-CG2 3.4Å; A627-V631 PolarHBondContact O-N 3.49Å
628	F	80	Confident	81	Confident	92 Å²	92	87.9 Å²	87.9	40%	0.404	41%	0.412	S	S	.	.	H	α-helix	trans	-60.4	-46.6	179.7	-178.4	-96.8	0	0	0	112.4	F624 R625 T630 V631 T632	F624-F628 WeakPolarHBondContact O-CB 3.2Å; F624-F628 PolarHBondContact O-N 3.02Å; R625-F628 PolarHBondContact O-N 3.46Å; F628-T630 VanDerWaalsContact C-N 3.34Å; F628-T630 PolarHBondContact O-N 2.88Å; F628-V631 PolarHBondContact O-N 2.86Å; F628-T632 HydrophobicContact CD1-CG2 4.23Å; F628-T632 HydrophobicContact CD2-CG2 4.27Å; F628-T632 HydrophobicContact CE1-CG2 3.87Å; F628-T632 HydrophobicContact CE2-CG2 3.92Å; F628-T632 HydrophobicContact CG-CG2 4.42Å; F628-T632 HydrophobicContact CZ-CG2 3.71Å; F628-T632 WeakPolarHBondContact O-CB 3.48Å; F628-T632 WeakPolarHBondContact O-CG2 3.06Å; F628-T632 PolarHBondContact O-N 2.83Å; F628-T632 PolarHBondContact O-OG1 3.02Å
629	V	82.3	Confident	81.8	Confident	82 Å²	82	89.9 Å²	89.9	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-42.1	175.2	169.8	0	0	0	0	111.3	R625 A627 T632 H633	R625-V629 WeakPolarHBondContact O-CB 3.43Å; R625-V629 VanDerWaalsContact O-CG2 3.31Å; R625-V629 WeakPolarHBondContact O-CG2 3.38Å; R625-V629 PolarHBondContact O-N 3.33Å; A627-V629 PolarHBondContact O-N 2.89Å; V629-T632 WeakPolarHBondContact CA-OG1 3.38Å; V629-T632 PolarHBondContact O-OG1 2.97Å; V629-H633 VanDerWaalsContact O-CB 3.26Å; V629-H633 WeakPolarHBondContact O-CB 3.25Å; V629-H633 PolarHBondContact O-N 2.93Å
630	T	80.3	Confident	82.6	Confident	76 Å²	76	91.5 Å²	91.5	47%	0.466	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-46.3	178.7	-55.2	0	0	0	0	111.8	R626 A627 F628 R634	R626-T630 WeakPolarHBondContact O-CB 3.47Å; R626-T630 PolarHBondContact O-N 2.89Å; R626-T630 VanDerWaalsContact O-N 3.09Å; R626-T630 PolarHBondContact O-OG1 3.13Å; A627-T630 PolarHBondContact O-N 3.11Å; F628-T630 VanDerWaalsContact C-N 3.34Å; F628-T630 PolarHBondContact O-N 2.88Å; T630-R634 WeakPolarHBondContact O-CB 3.35Å; T630-R634 VanDerWaalsContact O-CG 3.24Å; T630-R634 WeakPolarHBondContact O-CG 3.24Å; T630-R634 PolarHBondContact O-N 2.9Å
631	V	84.3	Confident	83.6	Confident	22 Å²	22	87.4 Å²	87.4	13%	0.133	42%	0.423	C	S	.	.	H	α-helix	trans	-66.2	-45.3	179.6	171.4	0	0	0	0	111.2	L490 A627 F628 R634 L635	L490-V631 HydrophobicContact CB-CG1 4.03Å; L490-V631 HydrophobicContact CB-CG2 3.88Å; L490-V631 HydrophobicContact CD1-CG1 4.09Å; A627-V631 WeakPolarHBondContact O-CB 3.37Å; A627-V631 WeakPolarHBondContact O-CG2 3.4Å; A627-V631 PolarHBondContact O-N 3.49Å; F628-V631 PolarHBondContact O-N 2.86Å; V631-R634 PolarHBondContact O-N 2.9Å; V631-L635 VanDerWaalsContact O-CB 3.32Å; V631-L635 WeakPolarHBondContact O-CB 3.35Å; V631-L635 PolarHBondContact O-N 3.26Å
632	T	80.6	Confident	84.5	Confident	51 Å²	51	82.2 Å²	82.2	31%	0.313	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-40.9	178.1	50.2	0	0	0	0	112.3	F628 V629 L635 L636	F628-T632 HydrophobicContact CD1-CG2 4.23Å; F628-T632 HydrophobicContact CD2-CG2 4.27Å; F628-T632 HydrophobicContact CE1-CG2 3.87Å; F628-T632 HydrophobicContact CE2-CG2 3.92Å; F628-T632 HydrophobicContact CG-CG2 4.42Å; F628-T632 HydrophobicContact CZ-CG2 3.71Å; F628-T632 WeakPolarHBondContact O-CB 3.48Å; F628-T632 WeakPolarHBondContact O-CG2 3.06Å; F628-T632 PolarHBondContact O-N 2.83Å; F628-T632 PolarHBondContact O-OG1 3.02Å; V629-T632 WeakPolarHBondContact CA-OG1 3.38Å; V629-T632 PolarHBondContact O-OG1 2.97Å; T632-L635 PolarHBondContact O-N 2.86Å; T632-L636 VanDerWaalsContact O-CB 3.24Å; T632-L636 WeakPolarHBondContact O-CB 3.32Å; T632-L636 PolarHBondContact O-N 3.05Å
633	H	83.2	Confident	85.1	Confident	110 Å²	110	85.6 Å²	85.6	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175	-177	-112.9	0	0	0	112.6	V629 L636 L637	V629-H633 VanDerWaalsContact O-CB 3.26Å; V629-H633 WeakPolarHBondContact O-CB 3.25Å; V629-H633 PolarHBondContact O-N 2.93Å; H633-L636 PolarHBondContact O-N 3.16Å; H633-L637 WeakPolarHBondContact O-CG 3.45Å; H633-L637 PolarHBondContact O-N 2.96Å
634	R	83.6	Confident	85.8	Confident	183 Å²	183	88 Å²	88	69%	0.691	45%	0.447	S	S	*	.	H	α-helix	trans	-62.9	-41.9	175.4	-71.1	-71.1	-173.9	-178.4	1.4	112.1	T630 V631 L638	T630-R634 WeakPolarHBondContact O-CB 3.35Å; T630-R634 VanDerWaalsContact O-CG 3.24Å; T630-R634 WeakPolarHBondContact O-CG 3.24Å; T630-R634 PolarHBondContact O-N 2.9Å; V631-R634 PolarHBondContact O-N 2.9Å; R634-L638 PolarHBondContact O-N 3Å
635	L	84	Confident	86.8	Confident	54 Å²	54	88.7 Å²	88.7	28%	0.283	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175.9	-178.7	60.7	0	0	0	111.7	L483 I487 V631 T632 L637 L638 C639	L483-L635 HydrophobicContact CD2-CD1 4.33Å; I487-L635 HydrophobicContact CD1-CD2 4.05Å; I487-L635 HydrophobicContact CG1-CD2 4.36Å; V631-L635 VanDerWaalsContact O-CB 3.32Å; V631-L635 WeakPolarHBondContact O-CB 3.35Å; V631-L635 PolarHBondContact O-N 3.26Å; T632-L635 PolarHBondContact O-N 2.86Å; L635-L637 PolarHBondContact O-N 3.25Å; L635-L638 WeakPolarHBondContact O-CB 3.41Å; L635-L638 PolarHBondContact O-N 2.89Å; L635-C639 PolarHBondContact O-N 3.14Å; L635-C639 PolarHBondContact O-SG 3.46Å; L635-C639 VanDerWaalsContact O-SG 3.33Å
636	L	87.2	Confident	87.5	Confident	98 Å²	98	83.4 Å²	83.4	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-43.1	178.5	-177.2	148.2	0	0	0	111.8	T632 H633 L638 C639 L640	T632-L636 VanDerWaalsContact O-CB 3.24Å; T632-L636 WeakPolarHBondContact O-CB 3.32Å; T632-L636 PolarHBondContact O-N 3.05Å; H633-L636 PolarHBondContact O-N 3.16Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 2.65Å; L636-C639 PolarHBondContact O-N 3Å; L636-L640 HydrophobicContact CD2-CD1 3.67Å; L636-L640 HydrophobicContact CD2-CG 4.28Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 3.44Å
637	L	88.9	Confident	88.3	Confident	85 Å²	85	81.8 Å²	81.8	45%	0.445	45%	0.45	S	S	.	.	H	α-helix	trans	-61.1	-41.4	173.9	-73.4	168.5	0	0	0	112.2	H633 L635 L640 G641	H633-L637 WeakPolarHBondContact O-CG 3.45Å; H633-L637 PolarHBondContact O-N 2.96Å; L635-L637 PolarHBondContact O-N 3.25Å; L637-L640 PolarHBondContact O-N 3.08Å; L637-G641 PolarHBondContact O-N 3.36Å
638	L	89.3	Confident	89	Confident	112 Å²	112	84.1 Å²	84.1	59%	0.586	46%	0.463	S	S	*	.	H	α-helix	trans	-63.3	-46	175.9	-169.3	159.3	0	0	0	111	R634 L635 L636 L640 G641 V642	R634-L638 PolarHBondContact O-N 3Å; L635-L638 WeakPolarHBondContact O-CB 3.41Å; L635-L638 PolarHBondContact O-N 2.89Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 2.65Å; L638-L640 PolarHBondContact O-N 2.81Å; L638-G641 PolarHBondContact O-N 3.36Å; L638-V642 HydrophobicContact CD2-CG2 4.06Å; L638-V642 WeakPolarHBondContact O-CG2 3.38Å; L638-V642 PolarHBondContact O-N 2.91Å
639	C	88.4	Confident	89.7	Confident	63 Å²	63	84.9 Å²	84.9	43%	0.426	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-41.9	176	-69.3	0	0	0	0	112.6	L635 L636 G641 V642 V643	L635-C639 PolarHBondContact O-N 3.14Å; L635-C639 PolarHBondContact O-SG 3.46Å; L635-C639 VanDerWaalsContact O-SG 3.33Å; L636-C639 PolarHBondContact O-N 3Å; C639-G641 VanDerWaalsContact C-N 3.35Å; C639-G641 PolarHBondContact O-N 3.39Å; C639-V642 PolarHBondContact O-N 2.76Å; C639-V643 WeakPolarHBondContact O-CG2 3.43Å; C639-V643 PolarHBondContact O-N 2.82Å
640	L	93.3	Very high	90.3	Very high	103 Å²	103	90.7 Å²	90.7	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-41.8	174.7	-72.9	174.8	0	0	0	111.9	L636 L637 L638 V643 M644	L636-L640 HydrophobicContact CD2-CD1 3.67Å; L636-L640 HydrophobicContact CD2-CG 4.28Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 3.44Å; L637-L640 PolarHBondContact O-N 3.08Å; L638-L640 PolarHBondContact O-N 2.81Å; L640-V643 PolarHBondContact O-N 3.26Å; L640-M644 PolarHBondContact O-N 2.96Å
641	G	94.4	Very high	91	Very high	38 Å²	38	93.7 Å²	93.7	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-46.6	174.1	0	0	0	0	0	112.7	L637 L638 C639 V643 M644 V645	L637-G641 PolarHBondContact O-N 3.36Å; L638-G641 PolarHBondContact O-N 3.36Å; C639-G641 VanDerWaalsContact C-N 3.35Å; C639-G641 PolarHBondContact O-N 3.39Å; G641-V643 PolarHBondContact O-N 2.95Å; G641-M644 WeakPolarHBondContact O-CB 3.49Å; G641-M644 PolarHBondContact O-N 2.93Å; G641-V645 WeakPolarHBondContact O-CG2 3.31Å; G641-V645 PolarHBondContact O-N 2.84Å
642	V	94.1	Very high	91.4	Very high	80 Å²	80	98.3 Å²	98.3	49%	0.485	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-40.9	176.4	173.8	0	0	0	0	111.7	L638 C639 V645 C646	L638-V642 HydrophobicContact CD2-CG2 4.06Å; L638-V642 WeakPolarHBondContact O-CG2 3.38Å; L638-V642 PolarHBondContact O-N 2.91Å; C639-V642 PolarHBondContact O-N 2.76Å; V642-V645 PolarHBondContact O-N 2.69Å; V642-C646 WeakPolarHBondContact O-CB 3.15Å; V642-C646 PolarHBondContact O-N 3.3Å; V642-C646 PolarHBondContact O-SG 3.35Å
643	V	94.7	Very high	92.1	Very high	89 Å²	89	103.2 Å²	103.2	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.5	170.3	0	0	0	0	111.2	C639 L640 G641 V645 C646 V647	C639-V643 WeakPolarHBondContact O-CG2 3.43Å; C639-V643 PolarHBondContact O-N 2.82Å; L640-V643 PolarHBondContact O-N 3.26Å; G641-V643 PolarHBondContact O-N 2.95Å; V643-V645 PolarHBondContact O-N 2.92Å; V643-C646 WeakPolarHBondContact O-CB 3.48Å; V643-C646 PolarHBondContact O-N 2.98Å; V643-V647 HydrophobicContact CG1-CG2 4.5Å; V643-V647 WeakPolarHBondContact O-CG2 3.36Å; V643-V647 PolarHBondContact O-N 2.89Å
644	M	95.4	Very high	92.5	Very high	124 Å²	124	104.3 Å²	104.3	61%	0.611	53%	0.527	S	S	*	.	H	α-helix	trans	-57.8	-49	175.3	-106.8	-67	-71.9	0	0	112.1	L640 G641 C646 V647 V648	L640-M644 PolarHBondContact O-N 2.96Å; G641-M644 WeakPolarHBondContact O-CB 3.49Å; G641-M644 PolarHBondContact O-N 2.93Å; M644-C646 VanDerWaalsContact C-N 3.34Å; M644-C646 PolarHBondContact O-N 2.94Å; M644-V647 PolarHBondContact O-N 2.83Å; M644-V648 HydrophobicContact CE-CG2 4.39Å; M644-V648 WeakPolarHBondContact O-CG2 3.27Å; M644-V648 PolarHBondContact O-N 2.99Å
645	V	96.6	Very high	92.8	Very high	85 Å²	85	101.8 Å²	101.8	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.9	173	0	0	0	0	111.2	G641 V642 V643 V647 V648 L649	G641-V645 WeakPolarHBondContact O-CG2 3.31Å; G641-V645 PolarHBondContact O-N 2.84Å; V642-V645 PolarHBondContact O-N 2.69Å; V643-V645 PolarHBondContact O-N 2.92Å; V645-V647 VanDerWaalsContact C-N 3.33Å; V645-V647 PolarHBondContact O-N 3.03Å; V645-V648 PolarHBondContact O-N 3.02Å; V645-L649 HydrophobicContact CG1-CD1 3.89Å; V645-L649 HydrophobicContact CG1-CG 4.32Å; V645-L649 WeakPolarHBondContact O-CB 3.35Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 3.49Å
646	C	95.4	Very high	92.9	Very high	69 Å²	69	108.7 Å²	108.7	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-60.9	-38.7	175.4	-75.6	0	0	0	0	113	V642 V643 M644 R650	V642-C646 WeakPolarHBondContact O-CB 3.15Å; V642-C646 PolarHBondContact O-N 3.3Å; V642-C646 PolarHBondContact O-SG 3.35Å; V643-C646 WeakPolarHBondContact O-CB 3.48Å; V643-C646 PolarHBondContact O-N 2.98Å; M644-C646 VanDerWaalsContact C-N 3.34Å; M644-C646 PolarHBondContact O-N 2.94Å; C646-R650 WeakPolarHBondContact O-CB 3.36Å; C646-R650 WeakPolarHBondContact O-CG 3.28Å; C646-R650 PolarHBondContact O-N 2.78Å
647	V	95.9	Very high	93	Very high	87 Å²	87	106.5 Å²	106.5	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-43.9	175.9	169.8	0	0	0	0	111.1	V643 M644 V645 R650 Y651	V643-V647 HydrophobicContact CG1-CG2 4.5Å; V643-V647 WeakPolarHBondContact O-CG2 3.36Å; V643-V647 PolarHBondContact O-N 2.89Å; M644-V647 PolarHBondContact O-N 2.83Å; V645-V647 VanDerWaalsContact C-N 3.33Å; V645-V647 PolarHBondContact O-N 3.03Å; V647-R650 PolarHBondContact O-N 2.74Å; V647-Y651 WeakPolarHBondContact O-CB 3.36Å; V647-Y651 PolarHBondContact O-N 3.18Å
648	V	96.4	Very high	92.9	Very high	64 Å²	64	106.3 Å²	106.3	39%	0.388	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-46.4	176.1	173.8	0	0	0	0	111.1	M644 V645 R650 Y651 M652	M644-V648 HydrophobicContact CE-CG2 4.39Å; M644-V648 WeakPolarHBondContact O-CG2 3.27Å; M644-V648 PolarHBondContact O-N 2.99Å; V645-V648 PolarHBondContact O-N 3.02Å; V648-R650 PolarHBondContact O-N 2.89Å; V648-Y651 PolarHBondContact O-N 3.22Å; V648-Y651 VanDerWaalsContact O-N 3.17Å; V648-M652 HydrophobicContact CG1-CG 4.38Å; V648-M652 HydrophobicContact CG1-SD 4.2Å; V648-M652 WeakPolarHBondContact O-CG 3.23Å; V648-M652 PolarHBondContact O-N 2.84Å
649	L	94.6	Very high	92.7	Very high	107 Å²	107	106.4 Å²	106.4	56%	0.56	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-38.5	177.6	-68.8	174.3	0	0	0	112.6	V645 K653	V645-L649 HydrophobicContact CG1-CD1 3.89Å; V645-L649 HydrophobicContact CG1-CG 4.32Å; V645-L649 WeakPolarHBondContact O-CB 3.35Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 3.49Å; L649-K653 WeakPolarHBondContact O-CB 3.07Å; L649-K653 PolarHBondContact O-N 3.44Å
650	R	95.3	Very high	92.6	Very high	204 Å²	204	107.1 Å²	107.1	77%	0.77	52%	0.52	S	S	*	.	H	α-helix	trans	-60.5	-44.3	171.2	-76.8	-83.9	-171.7	132.1	2.8	111.3	C646 V647 V648 Y654	C646-R650 WeakPolarHBondContact O-CB 3.36Å; C646-R650 WeakPolarHBondContact O-CG 3.28Å; C646-R650 PolarHBondContact O-N 2.78Å; V647-R650 PolarHBondContact O-N 2.74Å; V648-R650 PolarHBondContact O-N 2.89Å; R650-Y654 WeakPolarHBondContact O-CB 3.14Å; R650-Y654 PolarHBondContact O-N 3.07Å
651	Y	95.6	Very high	92.3	Very high	140 Å²	140	107.5 Å²	107.5	55%	0.549	52%	0.519	S	S	.	.	H	α-helix	trans	-67.2	-44.7	179.3	179.5	-98.4	0	0	0	112.3	V647 V648 Y654 R655	V647-Y651 WeakPolarHBondContact O-CB 3.36Å; V647-Y651 PolarHBondContact O-N 3.18Å; V648-Y651 PolarHBondContact O-N 3.22Å; V648-Y651 VanDerWaalsContact O-N 3.17Å; Y651-Y654 PolarHBondContact O-N 3.08Å; Y651-R655 HydrophobicContact CD1-CG 4.05Å; Y651-R655 HydrophobicContact CE1-CG 3.63Å; Y651-R655 HydrophobicContact CE2-CG 4.25Å; Y651-R655 WeakPolarHBondContact O-CB 3.27Å; Y651-R655 WeakPolarHBondContact O-CG 3.09Å; Y651-R655 PolarHBondContact O-N 3.44Å
652	M	92.9	Very high	91.9	Very high	119 Å²	119	109.9 Å²	109.9	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-43.9	175.2	-71.2	-174.7	75.9	0	0	111.6	V648 Y654 R655 W656	V648-M652 HydrophobicContact CG1-CG 4.38Å; V648-M652 HydrophobicContact CG1-SD 4.2Å; V648-M652 WeakPolarHBondContact O-CG 3.23Å; V648-M652 PolarHBondContact O-N 2.84Å; M652-Y654 PolarHBondContact O-N 3.39Å; M652-R655 PolarHBondContact O-N 3.39Å; M652-W656 WeakPolarHBondContact O-CB 3.37Å; M652-W656 PolarHBondContact O-N 2.83Å
653	K	94.6	Very high	91.6	Very high	154 Å²	154	108.6 Å²	108.6	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-60.6	-44.9	174.8	-174.5	170.4	-177.7	173.2	0	111.8	L649 W656 T657	L649-K653 WeakPolarHBondContact O-CB 3.07Å; L649-K653 PolarHBondContact O-N 3.44Å; K653-W656 PolarHBondContact O-N 3.36Å; K653-T657 HydrophobicContact CG-CG2 4.5Å; K653-T657 WeakPolarHBondContact O-CG2 3.42Å; K653-T657 PolarHBondContact O-N 3.29Å; K653-T657 PolarHBondContact O-OG1 3.17Å
654	Y	92.8	Very high	91.3	Very high	132 Å²	132	112 Å²	112	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-41.3	176.3	170.9	-102.6	0	0	0	112.8	R650 Y651 M652 T657 K658	R650-Y654 WeakPolarHBondContact O-CB 3.14Å; R650-Y654 PolarHBondContact O-N 3.07Å; Y651-Y654 PolarHBondContact O-N 3.08Å; M652-Y654 PolarHBondContact O-N 3.39Å; Y654-T657 PolarHBondContact O-OG1 2.95Å; Y654-K658 HydrophobicContact CE1-CD 4.28Å; Y654-K658 WeakPolarHBondContact O-CB 3.38Å; Y654-K658 PolarHBondContact O-N 3.11Å
655	R	90.1	Very high	91	Very high	131 Å²	131	109.1 Å²	109.1	49%	0.494	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-48.8	174.7	-76.4	-83.2	-75	136.9	2.3	110.8	Y651 M652 K658 E659	Y651-R655 HydrophobicContact CD1-CG 4.05Å; Y651-R655 HydrophobicContact CE1-CG 3.63Å; Y651-R655 HydrophobicContact CE2-CG 4.25Å; Y651-R655 WeakPolarHBondContact O-CB 3.27Å; Y651-R655 WeakPolarHBondContact O-CG 3.09Å; Y651-R655 PolarHBondContact O-N 3.44Å; M652-R655 PolarHBondContact O-N 3.39Å; R655-K658 PolarHBondContact O-N 2.9Å; R655-E659 PolarHBondContact O-N 3.24Å
656	W	84.9	Confident	90.8	Very high	199 Å²	199	105.5 Å²	105.5	75%	0.754	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-49.3	-179.2	-164.9	-75.7	0	0	0	112.6	M652 K653 K658 E659 E660	M652-W656 WeakPolarHBondContact O-CB 3.37Å; M652-W656 PolarHBondContact O-N 2.83Å; K653-W656 PolarHBondContact O-N 3.36Å; W656-K658 VanDerWaalsContact C-N 3.27Å; W656-K658 PolarHBondContact O-N 3.29Å; W656-E659 PolarHBondContact O-N 2.92Å; W656-E660 PolarHBondContact O-N 2.97Å
657	T	88.6	Confident	90.5	Very high	51 Å²	51	108 Å²	108	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-36	178.8	53.9	0	0	0	0	111.8	K653 Y654 E660 E661	K653-T657 HydrophobicContact CG-CG2 4.5Å; K653-T657 WeakPolarHBondContact O-CG2 3.42Å; K653-T657 PolarHBondContact O-N 3.29Å; K653-T657 PolarHBondContact O-OG1 3.17Å; Y654-T657 PolarHBondContact O-OG1 2.95Å; T657-E660 PolarHBondContact O-N 3.22Å; T657-E661 WeakPolarHBondContact O-CG 3.4Å; T657-E661 PolarHBondContact O-N 2.82Å
658	K	87.2	Confident	90.4	Very high	81 Å²	81	107.6 Å²	107.6	35%	0.352	47%	0.474	S	S	.	.	H	α-helix	trans	-67.9	-39.9	177	-179.2	171.3	-177.7	169.2	0	112.8	Y654 R655 W656 E660 E661 E662	Y654-K658 HydrophobicContact CE1-CD 4.28Å; Y654-K658 WeakPolarHBondContact O-CB 3.38Å; Y654-K658 PolarHBondContact O-N 3.11Å; R655-K658 PolarHBondContact O-N 2.9Å; W656-K658 VanDerWaalsContact C-N 3.27Å; W656-K658 PolarHBondContact O-N 3.29Å; K658-E660 VanDerWaalsContact C-N 3.33Å; K658-E661 PolarHBondContact O-N 3.37Å; K658-E662 WeakPolarHBondContact CE-OE1 2.8Å; K658-E662 WeakPolarHBondContact O-CB 3.32Å; K658-E662 WeakPolarHBondContact O-CG 3.27Å; K658-E662 PolarHBondContact O-N 3.38Å
659	E	85.3	Confident	90.1	Very high	115 Å²	115	105.3 Å²	105.3	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-68.6	-34.7	176.3	-170.4	154.5	-166.3	0	0	111.5	R655 W656 T663	R655-E659 PolarHBondContact O-N 3.24Å; W656-E659 PolarHBondContact O-N 2.92Å; E659-T663 WeakPolarHBondContact O-CB 3.21Å; E659-T663 WeakPolarHBondContact O-CG2 3.25Å; E659-T663 PolarHBondContact O-N 3.39Å; E659-T663 PolarHBondContact O-OG1 3.08Å
660	E	86.8	Confident	89.9	Confident	78 Å²	78	100.8 Å²	100.8	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-39.8	169.7	-156.9	-174.6	172.1	0	0	112.5	W656 T657 K658 T663 R664	W656-E660 PolarHBondContact O-N 2.97Å; T657-E660 PolarHBondContact O-N 3.22Å; K658-E660 VanDerWaalsContact C-N 3.33Å; E660-T663 WeakPolarHBondContact CA-OG1 3.36Å; E660-T663 PolarHBondContact O-OG1 2.69Å; E660-T663 VanDerWaalsContact O-OG1 3.12Å; E660-R664 VanDerWaalsContact O-CB 3.27Å; E660-R664 WeakPolarHBondContact O-CB 3.48Å; E660-R664 WeakPolarHBondContact O-CD 3.4Å; E660-R664 WeakPolarHBondContact O-CG 3.39Å; E660-R664 PolarHBondContact O-N 3.05Å; E660-R664 IonicContact OE1-CZ 3.69Å; E660-R664 VanDerWaalsContact OE1-CZ 3.26Å; E660-R664 IonicContact OE1-NE 3.31Å; E660-R664 PolarHBondContact OE1-NE 2.67Å; E660-R664 VanDerWaalsContact OE1-NE 3.14Å; E660-R664 IonicContact OE1-NH2 3.46Å; E660-R664 PolarHBondContact OE1-NH2 3.27Å
661	E	86.7	Confident	89.7	Confident	110 Å²	110	94.8 Å²	94.8	51%	0.514	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-44.7	173.3	-78.1	172.6	-147.1	0	0	112.5	T657 K658 Q665	T657-E661 WeakPolarHBondContact O-CG 3.4Å; T657-E661 PolarHBondContact O-N 2.82Å; K658-E661 PolarHBondContact O-N 3.37Å; E661-Q665 WeakPolarHBondContact O-CB 3.46Å; E661-Q665 VanDerWaalsContact O-CG 3.23Å; E661-Q665 WeakPolarHBondContact O-CG 3.46Å; E661-Q665 PolarHBondContact O-N 2.8Å; E661-Q665 PolarHBondContact O-NE2 2.82Å
662	E	86.6	Confident	89.6	Confident	88 Å²	88	92.8 Å²	92.8	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-36.4	179.6	-73.3	-178	-160.9	0	0	111.3	K658 M666	K658-E662 WeakPolarHBondContact CE-OE1 2.8Å; K658-E662 WeakPolarHBondContact O-CB 3.32Å; K658-E662 WeakPolarHBondContact O-CG 3.27Å; K658-E662 PolarHBondContact O-N 3.38Å; E662-M666 PolarHBondContact O-N 3.3Å
663	T	86.7	Confident	89.5	Confident	54 Å²	54	87.1 Å²	87.1	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-74.3	-40	174.1	50.2	0	0	0	0	113.2	E659 E660 Q665 M666 Y667	E659-T663 WeakPolarHBondContact O-CB 3.21Å; E659-T663 WeakPolarHBondContact O-CG2 3.25Å; E659-T663 PolarHBondContact O-N 3.39Å; E659-T663 PolarHBondContact O-OG1 3.08Å; E660-T663 WeakPolarHBondContact CA-OG1 3.36Å; E660-T663 PolarHBondContact O-OG1 2.69Å; E660-T663 VanDerWaalsContact O-OG1 3.12Å; T663-Q665 VanDerWaalsContact C-N 3.32Å; T663-Q665 PolarHBondContact O-N 3Å; T663-M666 WeakPolarHBondContact O-CB 3.43Å; T663-M666 PolarHBondContact O-N 3.3Å; T663-M666 VanDerWaalsContact O-N 3.16Å; T663-Y667 WeakPolarHBondContact O-CD2 3.38Å; T663-Y667 PolarHBondContact O-N 2.84Å
664	R	89.6	Confident	89.2	Confident	159 Å²	159	80.4 Å²	80.4	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-60	-41.5	171.8	-74.2	168.4	178.8	-148.5	6	111.7	E660 M666 Y667 D668	E660-R664 VanDerWaalsContact O-CB 3.27Å; E660-R664 WeakPolarHBondContact O-CB 3.48Å; E660-R664 WeakPolarHBondContact O-CD 3.4Å; E660-R664 WeakPolarHBondContact O-CG 3.39Å; E660-R664 PolarHBondContact O-N 3.05Å; E660-R664 IonicContact OE1-CZ 3.69Å; E660-R664 VanDerWaalsContact OE1-CZ 3.26Å; E660-R664 IonicContact OE1-NE 3.31Å; E660-R664 PolarHBondContact OE1-NE 2.67Å; E660-R664 VanDerWaalsContact OE1-NE 3.14Å; E660-R664 IonicContact OE1-NH2 3.46Å; E660-R664 PolarHBondContact OE1-NH2 3.27Å; R664-M666 VanDerWaalsContact C-N 3.35Å; R664-Y667 PolarHBondContact O-N 2.8Å; R664-D668 WeakPolarHBondContact O-CB 3.33Å; R664-D668 PolarHBondContact O-N 3.03Å
665	Q	89.6	Confident	89	Confident	65 Å²	65	77.4 Å²	77.4	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-36.1	174.2	-74.7	169.2	56	0	0	112.4	E661 T663 M669 V715	E661-Q665 WeakPolarHBondContact O-CB 3.46Å; E661-Q665 VanDerWaalsContact O-CG 3.23Å; E661-Q665 WeakPolarHBondContact O-CG 3.46Å; E661-Q665 PolarHBondContact O-N 2.8Å; E661-Q665 PolarHBondContact O-NE2 2.82Å; T663-Q665 VanDerWaalsContact C-N 3.32Å; T663-Q665 PolarHBondContact O-N 3Å; Q665-M669 VanDerWaalsContact O-CB 3.28Å; Q665-M669 WeakPolarHBondContact O-CB 3.43Å; Q665-M669 PolarHBondContact O-N 2.89Å; Q665-V715 VanDerWaalsContact C-CG1 3.46Å; Q665-V715 HydrophobicContact CB-CG1 3.95Å; Q665-V715 HydrophobicContact CB-CG2 4.27Å; Q665-V715 WeakPolarHBondContact O-CG1 3.48Å
666	M	90.5	Very high	89	Confident	8 Å²	8	72.7 Å²	72.7	4%	0.039	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-48.5	172.7	179.5	-157.5	75.7	0	0	111.3	E662 T663 R664 M669 V670 V715 R718 A719 F722	E662-M666 PolarHBondContact O-N 3.3Å; T663-M666 WeakPolarHBondContact O-CB 3.43Å; T663-M666 PolarHBondContact O-N 3.3Å; T663-M666 VanDerWaalsContact O-N 3.16Å; R664-M666 VanDerWaalsContact C-N 3.35Å; M666-M669 PolarHBondContact O-N 3.38Å; M666-V670 WeakPolarHBondContact O-CG2 3.34Å; M666-V670 PolarHBondContact O-N 3.49Å; M666-V715 HydrophobicContact CB-CG1 4.39Å; M666-R718 HydrophobicContact CG-CG 4.17Å; M666-R718 HydrophobicContact SD-CG 3.75Å; M666-A719 HydrophobicContact CG-CB 4.21Å; M666-F722 HydrophobicContact CE-CD2 3.6Å; M666-F722 HydrophobicContact CE-CE2 3.94Å; M666-F722 HydrophobicContact CE-CG 4.08Å; M666-F722 HydrophobicContact SD-CB 4.12Å; M666-F722 HydrophobicContact SD-CD2 4.06Å; M666-F722 HydrophobicContact SD-CG 4.26Å
667	Y	89.9	Confident	89.1	Confident	123 Å²	123	63.5 Å²	63.5	48%	0.482	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-44.3	179.1	-68.7	-60.9	0	0	0	112.8	T663 R664 M669 V670 V671 F722	T663-Y667 WeakPolarHBondContact O-CD2 3.38Å; T663-Y667 PolarHBondContact O-N 2.84Å; R664-Y667 PolarHBondContact O-N 2.8Å; Y667-M669 VanDerWaalsContact C-N 3.29Å; Y667-M669 PolarHBondContact O-N 3.01Å; Y667-V670 PolarHBondContact O-N 3.48Å; Y667-V671 WeakPolarHBondContact O-CG2 3.47Å; Y667-V671 PolarHBondContact O-N 3.29Å; Y667-F722 HydrophobicContact CD1-CZ 4.36Å; Y667-F722 HydrophobicContact CE1-CE1 4.37Å; Y667-F722 AromaticContact CE1-CE2 3.75Å; Y667-F722 HydrophobicContact CE1-CE2 3.75Å; Y667-F722 AromaticContact CE1-CZ 3.66Å; Y667-F722 HydrophobicContact CE1-CZ 3.66Å
668	D	92.9	Very high	89	Confident	77 Å²	77	65.5 Å²	65.5	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-41.7	173	169.6	67.4	0	0	0	111.9	R664 K672	R664-D668 WeakPolarHBondContact O-CB 3.33Å; R664-D668 PolarHBondContact O-N 3.03Å; D668-K672 WeakPolarHBondContact O-CD 3.26Å; D668-K672 WeakPolarHBondContact O-CG 3.45Å; D668-K672 PolarHBondContact O-N 3.4Å; D668-K672 VanDerWaalsContact O-N 3.08Å; D668-K672 VanDerWaalsContact OD1-CE 3.29Å; D668-K672 WeakPolarHBondContact OD1-CE 3.44Å; D668-K672 IonicContact OD1-NZ 2.74Å; D668-K672 PolarHBondContact OD1-NZ 3.08Å; D668-K672 IonicContact OD2-NZ 2.69Å; D668-K672 PolarHBondContact OD2-NZ 3.03Å
669	M	90.3	Very high	89	Confident	17 Å²	17	64.6 Å²	64.6	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-38.5	176.7	-166.6	167.5	-66.5	0	0	112.9	Q665 M666 Y667 K672 I673 I704 M712 V715 W716 A719	Q665-M669 VanDerWaalsContact O-CB 3.28Å; Q665-M669 WeakPolarHBondContact O-CB 3.43Å; Q665-M669 PolarHBondContact O-N 2.89Å; M666-M669 PolarHBondContact O-N 3.38Å; Y667-M669 VanDerWaalsContact C-N 3.29Å; Y667-M669 PolarHBondContact O-N 3.01Å; M669-K672 PolarHBondContact O-N 3.38Å; M669-I673 HydrophobicContact CG-CD1 4.17Å; M669-I673 WeakPolarHBondContact O-CD1 3.43Å; M669-I673 VanDerWaalsContact O-CG1 3.26Å; M669-I673 WeakPolarHBondContact O-CG1 3.38Å; M669-I673 PolarHBondContact O-N 3.26Å; M669-I704 HydrophobicContact CE-CD1 4.33Å; M669-I704 HydrophobicContact SD-CD1 4.37Å; M669-M712 HydrophobicContact CE-CB 4.11Å; M669-M712 HydrophobicContact CE-CG 4.35Å; M669-M712 HydrophobicContact CE-SD 4.21Å; M669-V715 HydrophobicContact CB-CG1 4.17Å; M669-V715 HydrophobicContact CE-CB 3.86Å; M669-V715 HydrophobicContact CE-CG1 3.63Å; M669-V715 HydrophobicContact SD-CB 4.16Å; M669-V715 HydrophobicContact SD-CG1 3.85Å; M669-W716 HydrophobicContact CG-CE3 4.4Å; M669-W716 WeakPolarHBondContact SD-CA 3.3Å; M669-W716 HydrophobicContact SD-CB 3.93Å; M669-W716 HydrophobicContact SD-CE3 3.88Å; M669-W716 PolarHBondContact SD-N 3.14Å; M669-A719 HydrophobicContact CB-CB 4.34Å; M669-A719 HydrophobicContact CG-CB 4.31Å; M669-A719 HydrophobicContact SD-CB 4.45Å
670	V	92.1	Very high	88.9	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-43.7	174.5	167.7	0	0	0	0	111.1	M666 Y667 I673 I674 A719 F722 L723	M666-V670 WeakPolarHBondContact O-CG2 3.34Å; M666-V670 PolarHBondContact O-N 3.49Å; Y667-V670 PolarHBondContact O-N 3.48Å; V670-I673 PolarHBondContact O-N 3.43Å; V670-I674 HydrophobicContact CG1-CD1 3.79Å; V670-I674 WeakPolarHBondContact O-CG1 3.2Å; V670-I674 PolarHBondContact O-N 2.93Å; V670-A719 HydrophobicContact CG2-CB 3.77Å; V670-F722 HydrophobicContact CG1-CD1 4.35Å; V670-F722 HydrophobicContact CG1-CE1 4.5Å; V670-F722 HydrophobicContact CG2-CD1 3.98Å; V670-L723 HydrophobicContact CG1-CD1 4.09Å
671	V	91.1	Very high	88.8	Confident	79 Å²	79	59.3 Å²	59.3	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-47.7	174.9	172.2	0	0	0	0	110.8	Y667 I673 I674 D675	Y667-V671 WeakPolarHBondContact O-CG2 3.47Å; Y667-V671 PolarHBondContact O-N 3.29Å; V671-I673 VanDerWaalsContact C-N 3.33Å; V671-I673 PolarHBondContact O-N 3.34Å; V671-I674 WeakPolarHBondContact O-CB 3.25Å; V671-I674 PolarHBondContact O-N 3.35Å; V671-I674 VanDerWaalsContact O-N 3.11Å; V671-D675 PolarHBondContact O-N 2.9Å
672	K	91.6	Very high	88.6	Confident	97 Å²	97	59.3 Å²	59.3	42%	0.422	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-38.9	176.8	-75.9	162.6	173.8	156.9	0	113.2	D668 M669 V676 L703	D668-K672 WeakPolarHBondContact O-CD 3.26Å; D668-K672 WeakPolarHBondContact O-CG 3.45Å; D668-K672 PolarHBondContact O-N 3.4Å; D668-K672 VanDerWaalsContact O-N 3.08Å; D668-K672 VanDerWaalsContact OD1-CE 3.29Å; D668-K672 WeakPolarHBondContact OD1-CE 3.44Å; D668-K672 IonicContact OD1-NZ 2.74Å; D668-K672 PolarHBondContact OD1-NZ 3.08Å; D668-K672 IonicContact OD2-NZ 2.69Å; D668-K672 PolarHBondContact OD2-NZ 3.03Å; M669-K672 PolarHBondContact O-N 3.38Å; K672-V676 WeakPolarHBondContact O-CG2 3.44Å; K672-V676 PolarHBondContact O-N 2.82Å; K672-L703 HydrophobicContact CB-CD1 4.21Å; K672-L703 HydrophobicContact CB-CD2 3.94Å
673	I	90.9	Very high	88.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-46.2	173	-72.2	161.2	0	0	0	110.9	M669 V670 V671 D675 L677 L703 W716 A719 L723 W745	M669-I673 HydrophobicContact CG-CD1 4.17Å; M669-I673 WeakPolarHBondContact O-CD1 3.43Å; M669-I673 VanDerWaalsContact O-CG1 3.26Å; M669-I673 WeakPolarHBondContact O-CG1 3.38Å; M669-I673 PolarHBondContact O-N 3.26Å; V670-I673 PolarHBondContact O-N 3.43Å; V671-I673 VanDerWaalsContact C-N 3.33Å; V671-I673 PolarHBondContact O-N 3.34Å; I673-D675 VanDerWaalsContact C-N 3.35Å; I673-D675 PolarHBondContact O-N 3.09Å; I673-L677 HydrophobicContact CG2-CD1 3.73Å; I673-L677 WeakPolarHBondContact O-CB 3.49Å; I673-L677 WeakPolarHBondContact O-CG 3.46Å; I673-L677 PolarHBondContact O-N 3.01Å; I673-L703 HydrophobicContact CB-CD1 4.36Å; I673-L703 HydrophobicContact CG1-CD1 3.63Å; I673-W716 HydrophobicContact CD1-CE3 4.17Å; I673-W716 HydrophobicContact CD1-CH2 4.05Å; I673-W716 HydrophobicContact CD1-CZ3 3.66Å; I673-W716 HydrophobicContact CG1-CH2 4.11Å; I673-W716 HydrophobicContact CG1-CZ3 3.77Å; I673-A719 HydrophobicContact CD1-CB 4.33Å; I673-L723 HydrophobicContact CG2-CD2 3.85Å; I673-W745 HydrophobicContact CB-CZ3 4.44Å; I673-W745 HydrophobicContact CD1-CH2 4.04Å; I673-W745 HydrophobicContact CD1-CZ3 4.37Å; I673-W745 HydrophobicContact CG1-CH2 4.4Å; I673-W745 HydrophobicContact CG1-CZ3 4.23Å; I673-W745 HydrophobicContact CG2-CE3 3.91Å; I673-W745 HydrophobicContact CG2-CH2 3.82Å; I673-W745 HydrophobicContact CG2-CZ3 3.39Å
674	I	88.3	Confident	88	Confident	13 Å²	13	55 Å²	55	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-41.2	179.2	-74.7	166.6	0	0	0	111.4	V670 V671 L677 R678 L723 E727 W747	V670-I674 HydrophobicContact CG1-CD1 3.79Å; V670-I674 WeakPolarHBondContact O-CG1 3.2Å; V670-I674 PolarHBondContact O-N 2.93Å; V671-I674 WeakPolarHBondContact O-CB 3.25Å; V671-I674 PolarHBondContact O-N 3.35Å; V671-I674 VanDerWaalsContact O-N 3.11Å; I674-L677 PolarHBondContact O-N 2.96Å; I674-R678 VanDerWaalsContact O-CB 3.3Å; I674-R678 WeakPolarHBondContact O-CB 3.43Å; I674-R678 PolarHBondContact O-N 3.05Å; I674-L723 HydrophobicContact CD1-CD1 4.26Å; I674-L723 HydrophobicContact CG1-CD1 4.09Å; I674-E727 HydrophobicContact CD1-CG 4.29Å; I674-E727 WeakPolarHBondContact CD1-OE2 3.44Å; I674-W747 HydrophobicContact CG2-CH2 3.9Å; I674-W747 HydrophobicContact CG2-CZ3 4.1Å
675	D	89.4	Confident	87.2	Confident	69 Å²	69	51.4 Å²	51.4	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-74.6	-33.5	-176.6	-68.3	-24.8	0	0	0	112.8	V671 I673 R678 S679	V671-D675 PolarHBondContact O-N 2.9Å; I673-D675 VanDerWaalsContact C-N 3.35Å; I673-D675 PolarHBondContact O-N 3.09Å; D675-R678 IonicContact OD1-CZ 3.81Å; D675-R678 IonicContact OD1-NE 2.65Å; D675-R678 IonicContact OD1-NH2 3.18Å; D675-R678 PolarHBondContact OD1-NH2 3.29Å; D675-S679 WeakPolarHBondContact O-CB 3.46Å; D675-S679 PolarHBondContact O-N 2.94Å; D675-S679 PolarHBondContact O-OG 2.87Å
676	V	89.9	Confident	86.5	Confident	32 Å²	32	56 Å²	56	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-39.9	169.6	-175.4	0	0	0	0	111	K672 R678 S679 H680 M694 V699 L703	K672-V676 WeakPolarHBondContact O-CG2 3.44Å; K672-V676 PolarHBondContact O-N 2.82Å; V676-R678 PolarHBondContact O-N 3.19Å; V676-S679 WeakPolarHBondContact CA-OG 3.19Å; V676-S679 PolarHBondContact O-OG 2.88Å; V676-H680 WeakPolarHBondContact O-CB 3.47Å; V676-H680 PolarHBondContact O-N 3.31Å; V676-M694 HydrophobicContact CG1-CE 3.93Å; V676-M694 HydrophobicContact CG1-SD 4.24Å; V676-V699 HydrophobicContact CG1-CG1 4.49Å; V676-L703 HydrophobicContact CG2-CD1 4.48Å; V676-L703 HydrophobicContact CG2-CD2 3.69Å; V676-L703 HydrophobicContact CG2-CG 4.19Å
677	L	87.6	Confident	85.8	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-38.5	174.5	-76.4	166.6	0	0	0	112.8	I673 I674 N681 M694 V730 W745 W747	I673-L677 HydrophobicContact CG2-CD1 3.73Å; I673-L677 WeakPolarHBondContact O-CB 3.49Å; I673-L677 WeakPolarHBondContact O-CG 3.46Å; I673-L677 PolarHBondContact O-N 3.01Å; I674-L677 PolarHBondContact O-N 2.96Å; L677-N681 WeakPolarHBondContact O-CB 3.18Å; L677-N681 PolarHBondContact O-N 3.44Å; L677-M694 HydrophobicContact CD2-CE 3.49Å; L677-M694 VanDerWaalsContact CD2-CE 3.49Å; L677-M694 HydrophobicContact CG-CE 3.96Å; L677-V730 HydrophobicContact CD1-CG1 3.86Å; L677-V730 HydrophobicContact CD1-CG2 3.81Å; L677-W745 HydrophobicContact CD1-CB 4.19Å; L677-W745 HydrophobicContact CD1-CD2 4.29Å; L677-W745 HydrophobicContact CD1-CE3 3.97Å; L677-W745 HydrophobicContact CD1-CG 4.42Å; L677-W745 HydrophobicContact CD2-CB 3.61Å; L677-W745 HydrophobicContact CD2-CE3 4.47Å; L677-W747 HydrophobicContact CB-CE3 3.88Å; L677-W747 HydrophobicContact CB-CZ3 4.3Å
678	R	85.9	Confident	84.8	Confident	94 Å²	94	62.6 Å²	62.6	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-69.9	-51.9	178.5	-165.5	-162.5	-43.9	-162.1	12.8	111.8	I674 D675 V676 H680 N681 E682 W747	I674-R678 VanDerWaalsContact O-CB 3.3Å; I674-R678 WeakPolarHBondContact O-CB 3.43Å; I674-R678 PolarHBondContact O-N 3.05Å; D675-R678 IonicContact OD1-CZ 3.81Å; D675-R678 IonicContact OD1-NE 2.65Å; D675-R678 IonicContact OD1-NH2 3.18Å; D675-R678 PolarHBondContact OD1-NH2 3.29Å; V676-R678 PolarHBondContact O-N 3.19Å; R678-H680 VanDerWaalsContact C-N 3.28Å; R678-H680 PolarHBondContact O-N 3.49Å; R678-N681 CarbonylContact O-C 3.52Å; R678-N681 WeakPolarHBondContact O-CA 3.39Å; R678-N681 WeakPolarHBondContact O-CB 3.47Å; R678-N681 PolarHBondContact O-N 3.14Å; R678-E682 VanDerWaalsContact CD-OE1 3.31Å; R678-E682 WeakPolarHBondContact CD-OE1 3.46Å; R678-E682 WeakPolarHBondContact CG-OE1 3.32Å; R678-E682 WeakPolarHBondContact O-CG 3.41Å; R678-E682 PolarHBondContact O-N 2.85Å; R678-W747 HydrophobicContact CG-CZ2 4.44Å
679	S	86.6	Confident	83.6	Confident	62 Å²	62	66.3 Å²	66.3	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-35.1	178.7	51.6	0	0	0	0	112.4	D675 V676 E682 A683	D675-S679 WeakPolarHBondContact O-CB 3.46Å; D675-S679 PolarHBondContact O-N 2.94Å; D675-S679 PolarHBondContact O-OG 2.87Å; V676-S679 WeakPolarHBondContact CA-OG 3.19Å; V676-S679 PolarHBondContact O-OG 2.88Å; S679-E682 PolarHBondContact O-N 3.48Å; S679-A683 WeakPolarHBondContact O-CB 3.4Å; S679-A683 PolarHBondContact O-N 2.62Å
680	H	84.3	Confident	82.9	Confident	54 Å²	54	69.1 Å²	69.1	25%	0.25	35%	0.35	C	S	.	.	H	α-helix	trans	-67.2	-34.2	170.5	-170.1	-72.1	0	0	0	112.7	V676 R678 C684 Q691 M694	V676-H680 WeakPolarHBondContact O-CB 3.47Å; V676-H680 PolarHBondContact O-N 3.31Å; R678-H680 VanDerWaalsContact C-N 3.28Å; R678-H680 PolarHBondContact O-N 3.49Å; H680-C684 WeakPolarHBondContact O-CB 3.47Å; H680-C684 PolarHBondContact O-N 3.36Å; H680-Q691 PolarHBondContact CE1-O 2.91Å; H680-M694 HydrophobicContact CB-CE 4.26Å
681	N	83.4	Confident	82	Confident	27 Å²	27	73.7 Å²	73.7	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-69	-42.8	173.9	-172.7	-101.5	0	0	0	111.9	L677 R678 C684 Q685 W747	L677-N681 WeakPolarHBondContact O-CB 3.18Å; L677-N681 PolarHBondContact O-N 3.44Å; R678-N681 CarbonylContact O-C 3.52Å; R678-N681 WeakPolarHBondContact O-CA 3.39Å; R678-N681 WeakPolarHBondContact O-CB 3.47Å; R678-N681 PolarHBondContact O-N 3.14Å; N681-C684 PolarHBondContact O-N 3.06Å; N681-Q685 WeakPolarHBondContact O-CB 3.44Å; N681-Q685 PolarHBondContact O-N 3.02Å; N681-W747 HydrophobicContact CB-CB 4.13Å; N681-W747 HydrophobicContact CB-CG 4.1Å
682	E	82.3	Confident	81.3	Confident	110 Å²	110	73.3 Å²	73.3	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-47	175.7	-70.4	164.3	-178.8	0	0	111.1	R678 S679 C684 Q685 E686	R678-E682 VanDerWaalsContact CD-OE1 3.31Å; R678-E682 WeakPolarHBondContact CD-OE1 3.46Å; R678-E682 WeakPolarHBondContact CG-OE1 3.32Å; R678-E682 WeakPolarHBondContact O-CG 3.41Å; R678-E682 PolarHBondContact O-N 2.85Å; S679-E682 PolarHBondContact O-N 3.48Å; E682-C684 VanDerWaalsContact C-N 3.34Å; E682-C684 PolarHBondContact O-N 3.38Å; E682-Q685 WeakPolarHBondContact O-CB 3.46Å; E682-Q685 PolarHBondContact O-N 3.02Å; E682-Q685 VanDerWaalsContact O-N 3.13Å; E682-E686 PolarHBondContact O-N 2.84Å
683	A	83.2	Confident	80.8	Confident	36 Å²	36	71.3 Å²	71.3	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-35.6	175.6	0	0	0	0	0	113.3	S679 N687	S679-A683 WeakPolarHBondContact O-CB 3.4Å; S679-A683 PolarHBondContact O-N 2.62Å; A683-N687 WeakPolarHBondContact O-CB 3.32Å; A683-N687 PolarHBondContact O-N 3.48Å; A683-N687 PolarHBondContact O-ND2 2.9Å
684	C	78.7	Confident	80.5	Confident	15 Å²	15	71.6 Å²	71.6	10%	0.101	36%	0.361	C	S	.	.	H	α-helix	trans	-73	-27.2	173.7	173	0	0	0	0	112.9	H680 N681 E682 N687 L690	H680-C684 WeakPolarHBondContact O-CB 3.47Å; H680-C684 PolarHBondContact O-N 3.36Å; N681-C684 PolarHBondContact O-N 3.06Å; E682-C684 VanDerWaalsContact C-N 3.34Å; E682-C684 PolarHBondContact O-N 3.38Å; C684-N687 CarbonylContact O-C 3.34Å; C684-N687 VanDerWaalsContact O-O 3.11Å; C684-L690 HydrophobicContact CB-CB 4.04Å; C684-L690 PolarHBondContact SG-O 2.8Å
685	Q	72.1	Confident	80.5	Confident	85 Å²	85	72.7 Å²	72.7	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-73.5	-35.2	172.3	166.7	137.9	97	0	0	112.3	N681 E682 S751 S753	N681-Q685 WeakPolarHBondContact O-CB 3.44Å; N681-Q685 PolarHBondContact O-N 3.02Å; E682-Q685 WeakPolarHBondContact O-CB 3.46Å; E682-Q685 PolarHBondContact O-N 3.02Å; E682-Q685 VanDerWaalsContact O-N 3.13Å; Q685-S751 VanDerWaalsContact CD-OG 3.24Å; Q685-S751 PolarHBondContact NE2-OG 3.49Å; Q685-S751 VanDerWaalsContact NE2-OG 3.15Å; Q685-S751 PolarHBondContact OE1-OG 3.19Å; Q685-S753 VanDerWaalsContact NE2-CB 3.26Å; Q685-S753 PolarHBondContact NE2-OG 3.27Å
686	E	75.1	Confident	80.5	Confident	161 Å²	161	70.5 Å²	70.5	75%	0.752	36%	0.357	S	S	*	.	H	α-helix	trans	-73.3	-47.1	172	-173.9	169.4	-140.7	0	0	111.5	E682	E682-E686 PolarHBondContact O-N 2.84Å
687	N	75.6	Confident	80.4	Confident	74 Å²	74	72.1 Å²	72.1	40%	0.396	37%	0.368	S	S	.	.			trans	-106.3	98.2	-174.7	-59	-87.2	0	0	0	110.9	A683 C684 D689 L690	A683-N687 WeakPolarHBondContact O-CB 3.32Å; A683-N687 PolarHBondContact O-N 3.48Å; A683-N687 PolarHBondContact O-ND2 2.9Å; C684-N687 CarbonylContact O-C 3.34Å; C684-N687 VanDerWaalsContact O-O 3.11Å; N687-D689 PolarHBondContact O-N 2.74Å; N687-L690 HydrophobicContact CB-CD1 3.92Å; N687-L690 PolarHBondContact O-N 3.12Å
688	K	69.5	Low	80.4	Confident	196 Å²	196	77.3 Å²	77.3	85%	0.852	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.9	-176.7	-63.6	177.5	-177	172.3	0	115.1
689	D	68.3	Low	80.5	Confident	155 Å²	155	72.8 Å²	72.8	83%	0.829	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.7	-178.4	-51.2	-55.9	0	0	0	113.1	N687	N687-D689 PolarHBondContact O-N 2.74Å
690	L	75.4	Confident	80.7	Confident	76 Å²	76	73 Å²	73	40%	0.398	37%	0.366	S	S	.	.	S	Bend	trans	-80.3	145.3	173.6	-90.3	72.5	0	0	0	111	C684 N687	C684-L690 HydrophobicContact CB-CB 4.04Å; C684-L690 PolarHBondContact SG-O 2.8Å; N687-L690 HydrophobicContact CB-CD1 3.92Å; N687-L690 PolarHBondContact O-N 3.12Å
691	Q	73.1	Confident	80.9	Confident	107 Å²	107	74 Å²	74	50%	0.5	37%	0.374	S	S	.	.			trans	-86.4	136	-175.8	-65.5	-176	-16.3	0	0	111.9	H680 Y693	H680-Q691 PolarHBondContact CE1-O 2.91Å; Q691-Y693 HydrophobicContact CB-CD1 4.31Å; Q691-Y693 HydrophobicContact CB-CE1 3.99Å; Q691-Y693 HydrophobicContact CB-CE2 4.49Å; Q691-Y693 PolarHBondContact O-N 3.23Å; Q691-Y693 VanDerWaalsContact OE1-CZ 3.26Å; Q691-Y693 PolarHBondContact OE1-OH 3.14Å
692	P	75.9	Confident	81.1	Confident	70 Å²	70	76.3 Å²	76.3	46%	0.455	39%	0.392	S	S	.	.	S	Bend	trans	-69	18	-177.8	-22.7	33.4	0	0	0	117.1
693	Y	80.9	Confident	81.4	Confident	56 Å²	56	73.7 Å²	73.7	22%	0.22	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.2	-176.1	56.1	-95.3	0	0	0	111.2	Q691 R735 I737 V744 W745	Q691-Y693 HydrophobicContact CB-CD1 4.31Å; Q691-Y693 HydrophobicContact CB-CE1 3.99Å; Q691-Y693 HydrophobicContact CB-CE2 4.49Å; Q691-Y693 PolarHBondContact O-N 3.23Å; Q691-Y693 VanDerWaalsContact OE1-CZ 3.26Å; Q691-Y693 PolarHBondContact OE1-OH 3.14Å; Y693-R735 HydrophobicContact CE2-CG 4.17Å; Y693-I737 HydrophobicContact CD2-CD1 4.41Å; Y693-I737 HydrophobicContact CE2-CD1 3.92Å; Y693-I737 HydrophobicContact CE2-CG1 4.31Å; Y693-V744 HydrophobicContact CD2-CB 4.32Å; Y693-V744 HydrophobicContact CD2-CG1 4.1Å; Y693-V744 HydrophobicContact CD2-CG2 4.31Å; Y693-V744 HydrophobicContact CG-CG2 4.45Å; Y693-W745 WeakPolarHBondContact CA-O 3.24Å
694	M	85.5	Confident	81.6	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.025	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.2	-174.4	-173.2	172.1	37.5	0	0	110.7	V676 L677 H680 I696 V699 V744 W745	V676-M694 HydrophobicContact CG1-CE 3.93Å; V676-M694 HydrophobicContact CG1-SD 4.24Å; L677-M694 HydrophobicContact CD2-CE 3.49Å; L677-M694 VanDerWaalsContact CD2-CE 3.49Å; L677-M694 HydrophobicContact CG-CE 3.96Å; H680-M694 HydrophobicContact CB-CE 4.26Å; M694-I696 PolarHBondContact O-N 3.45Å; M694-V699 HydrophobicContact CB-CG2 4.39Å; M694-V699 HydrophobicContact CE-CB 4.44Å; M694-V699 HydrophobicContact CE-CG1 4.2Å; M694-V699 HydrophobicContact CE-CG2 3.54Å; M694-V699 HydrophobicContact CG-CG2 3.74Å; M694-V699 HydrophobicContact SD-CG2 3.79Å; M694-V744 WeakPolarHBondContact O-CA 3.34Å; M694-W745 PolarHBondContact N-O 2.98Å; M694-W745 PolarHBondContact O-N 3.39Å
695	P	88.4	Confident	82	Confident	37 Å²	37	78.9 Å²	78.9	24%	0.24	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.8	179.9	-22.9	34	0	0	0	112.7	P697 H698 V699 I737 V744	P695-P697 VanDerWaalsContact C-CD 3.42Å; P695-P697 VanDerWaalsContact C-N 3.31Å; P695-H698 HydrophobicContact CB-CB 4.34Å; P695-H698 WeakPolarHBondContact O-CA 3.41Å; P695-H698 WeakPolarHBondContact O-CB 3.22Å; P695-H698 PolarHBondContact O-N 2.58Å; P695-V699 WeakPolarHBondContact O-CG2 3.43Å; P695-V699 PolarHBondContact O-N 2.86Å; P695-I737 HydrophobicContact CG-CD1 4Å; P695-V744 HydrophobicContact CB-CG1 4.5Å; P695-V744 HydrophobicContact CG-CG1 4.4Å
696	I	89.2	Confident	82.6	Confident	22 Å²	22	79.6 Å²	79.6	11%	0.113	41%	0.41	C	S	.	.	H	α-helix	trans	-53.1	-40.3	179.5	-60.8	-175.3	0	0	0	112.8	M694 H698 V699 R700 W716 T732 L743 W745	M694-I696 PolarHBondContact O-N 3.45Å; I696-H698 VanDerWaalsContact C-N 3.29Å; I696-H698 PolarHBondContact O-N 3.5Å; I696-V699 PolarHBondContact O-N 3.22Å; I696-R700 PolarHBondContact O-N 3.39Å; I696-W716 HydrophobicContact CG2-CZ2 3.86Å; I696-T732 HydrophobicContact CD1-CG2 4.13Å; I696-L743 HydrophobicContact CD1-CB 3.82Å; I696-L743 HydrophobicContact CG1-CB 4.3Å; I696-L743 PolarHBondContact N-O 3.09Å; I696-W745 HydrophobicContact CD1-CD2 4.17Å; I696-W745 HydrophobicContact CD1-CG 4.32Å; I696-W745 HydrophobicContact CD1-CZ2 4.15Å; I696-W745 HydrophobicContact CG1-CD2 3.79Å; I696-W745 HydrophobicContact CG1-CE3 4.28Å; I696-W745 HydrophobicContact CG1-CG 3.99Å; I696-W745 HydrophobicContact CG1-CZ2 4.35Å; I696-W745 HydrophobicContact CG2-CH2 4.25Å; I696-W745 HydrophobicContact CG2-CZ2 4.31Å; I696-W745 HydrophobicContact CG2-CZ3 4.49Å
697	P	87.8	Confident	83.1	Confident	67 Å²	67	79.8 Å²	79.8	44%	0.435	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-33.9	174.4	-24.4	35.5	0	0	0	114	P695 D701	P695-P697 VanDerWaalsContact C-CD 3.42Å; P695-P697 VanDerWaalsContact C-N 3.31Å; P697-D701 WeakPolarHBondContact O-CB 3.38Å; P697-D701 VanDerWaalsContact O-CG 3.29Å; P697-D701 PolarHBondContact O-N 3.36Å
698	H	86.8	Confident	83.7	Confident	114 Å²	114	79.2 Å²	79.2	53%	0.528	41%	0.407	S	S	.	.	H	α-helix	trans	-71.4	-42.2	179.4	-172.9	57.6	0	0	0	111.5	P695 I696 R700 D701 S702	P695-H698 HydrophobicContact CB-CB 4.34Å; P695-H698 WeakPolarHBondContact O-CA 3.41Å; P695-H698 WeakPolarHBondContact O-CB 3.22Å; P695-H698 PolarHBondContact O-N 2.58Å; I696-H698 VanDerWaalsContact C-N 3.29Å; I696-H698 PolarHBondContact O-N 3.5Å; H698-R700 VanDerWaalsContact C-N 3.31Å; H698-R700 PolarHBondContact O-N 2.92Å; H698-D701 PolarHBondContact O-N 3.03Å; H698-S702 WeakPolarHBondContact O-CB 3.4Å; H698-S702 PolarHBondContact O-N 3.38Å
699	V	89.1	Confident	84.4	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-43.4	174.5	-159.9	0	0	0	0	110.7	V676 M694 P695 I696 D701 S702 L703 W716 W745	V676-V699 HydrophobicContact CG1-CG1 4.49Å; M694-V699 HydrophobicContact CB-CG2 4.39Å; M694-V699 HydrophobicContact CE-CB 4.44Å; M694-V699 HydrophobicContact CE-CG1 4.2Å; M694-V699 HydrophobicContact CE-CG2 3.54Å; M694-V699 HydrophobicContact CG-CG2 3.74Å; M694-V699 HydrophobicContact SD-CG2 3.79Å; P695-V699 WeakPolarHBondContact O-CG2 3.43Å; P695-V699 PolarHBondContact O-N 2.86Å; I696-V699 PolarHBondContact O-N 3.22Å; V699-D701 VanDerWaalsContact C-N 3.33Å; V699-D701 PolarHBondContact O-N 2.88Å; V699-S702 PolarHBondContact O-N 2.93Å; V699-L703 HydrophobicContact CG1-CD1 4.08Å; V699-L703 WeakPolarHBondContact O-CB 3.47Å; V699-L703 WeakPolarHBondContact O-CG 3.3Å; V699-L703 PolarHBondContact O-N 3.15Å; V699-L703 VanDerWaalsContact O-N 3.08Å; V699-W716 HydrophobicContact CB-CH2 4.27Å; V699-W716 HydrophobicContact CG1-CH2 4.47Å; V699-W745 HydrophobicContact CB-CE3 4.18Å; V699-W745 HydrophobicContact CB-CZ3 4Å; V699-W745 HydrophobicContact CG1-CE3 4.27Å; V699-W745 HydrophobicContact CG1-CZ3 3.99Å; V699-W745 HydrophobicContact CG2-CE3 3.83Å; V699-W745 HydrophobicContact CG2-CZ3 4.16Å
700	R	90	Very high	85.3	Confident	65 Å²	65	76.4 Å²	76.4	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-44.7	176.2	-171.9	-177.7	169.6	-172.1	-2.7	112.3	I696 H698 L703 I704 R709 W716	I696-R700 PolarHBondContact O-N 3.39Å; H698-R700 VanDerWaalsContact C-N 3.31Å; H698-R700 PolarHBondContact O-N 2.92Å; R700-L703 PolarHBondContact O-N 2.97Å; R700-I704 HydrophobicContact CG-CD1 4.12Å; R700-I704 WeakPolarHBondContact O-CB 3.29Å; R700-I704 PolarHBondContact O-N 3.19Å; R700-R709 PolarHBondContact NH2-O 3.27Å; R700-W716 VanDerWaalsContact CA-CH2 3.48Å; R700-W716 HydrophobicContact CB-CD2 4.31Å; R700-W716 HydrophobicContact CB-CE3 4.43Å; R700-W716 HydrophobicContact CB-CH2 3.7Å; R700-W716 HydrophobicContact CB-CZ2 3.54Å; R700-W716 HydrophobicContact CB-CZ3 4.14Å; R700-W716 HydrophobicContact CG-CD2 3.86Å; R700-W716 HydrophobicContact CG-CE3 4.13Å; R700-W716 HydrophobicContact CG-CG 4.42Å; R700-W716 HydrophobicContact CG-CH2 4.27Å; R700-W716 HydrophobicContact CG-CZ2 4.02Å; R700-W716 HydrophobicContact CG-CZ3 4.31Å
701	D	88.5	Confident	85.9	Confident	76 Å²	76	79.7 Å²	79.7	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-79.9	-21	-175.7	-72.8	-14	0	0	0	113.2	P697 H698 V699 R709	P697-D701 WeakPolarHBondContact O-CB 3.38Å; P697-D701 VanDerWaalsContact O-CG 3.29Å; P697-D701 PolarHBondContact O-N 3.36Å; H698-D701 PolarHBondContact O-N 3.03Å; V699-D701 VanDerWaalsContact C-N 3.33Å; V699-D701 PolarHBondContact O-N 2.88Å; D701-R709 IonicContact OD1-CZ 3.79Å; D701-R709 IonicContact OD1-NE 3.99Å; D701-R709 PolarHBondContact OD1-NE 3.37Å; D701-R709 IonicContact OD1-NH2 3.53Å; D701-R709 PolarHBondContact OD1-NH2 3.22Å; D701-R709 IonicContact OD2-CZ 2.76Å; D701-R709 IonicContact OD2-NH2 2.94Å; D701-R709 PolarHBondContact OD2-NH2 3.5Å
702	S	87.2	Confident	86.5	Confident	76 Å²	76	76.5 Å²	76.5	53%	0.531	38%	0.382	S	S	.	.	H	α-helix	trans	-71.4	-36	166.3	176.3	0	0	0	0	112.3	H698 V699	H698-S702 WeakPolarHBondContact O-CB 3.4Å; H698-S702 PolarHBondContact O-N 3.38Å; V699-S702 PolarHBondContact O-N 2.93Å
703	L	88.1	Confident	87.2	Confident	55 Å²	55	78.3 Å²	78.3	29%	0.288	38%	0.383	S	S	.	.	H	α-helix	trans	-94.5	-26.8	-175.1	-70.2	177.9	0	0	0	115.1	K672 I673 V676 V699 R700 W716	K672-L703 HydrophobicContact CB-CD1 4.21Å; K672-L703 HydrophobicContact CB-CD2 3.94Å; I673-L703 HydrophobicContact CB-CD1 4.36Å; I673-L703 HydrophobicContact CG1-CD1 3.63Å; V676-L703 HydrophobicContact CG2-CD1 4.48Å; V676-L703 HydrophobicContact CG2-CD2 3.69Å; V676-L703 HydrophobicContact CG2-CG 4.19Å; V699-L703 HydrophobicContact CG1-CD1 4.08Å; V699-L703 WeakPolarHBondContact O-CB 3.47Å; V699-L703 WeakPolarHBondContact O-CG 3.3Å; V699-L703 PolarHBondContact O-N 3.15Å; V699-L703 VanDerWaalsContact O-N 3.08Å; R700-L703 PolarHBondContact O-N 2.97Å; L703-W716 HydrophobicContact CD1-CZ3 4.3Å
704	I	88.7	Confident	87.6	Confident	9 Å²	9	83.4 Å²	83.4	5%	0.046	41%	0.406	C	S	.	.	S	Bend	trans	-123.3	106.2	-174.2	-54.1	176.6	0	0	0	109.6	M669 R700 D708 R709 M712 W716	M669-I704 HydrophobicContact CE-CD1 4.33Å; M669-I704 HydrophobicContact SD-CD1 4.37Å; R700-I704 HydrophobicContact CG-CD1 4.12Å; R700-I704 WeakPolarHBondContact O-CB 3.29Å; R700-I704 PolarHBondContact O-N 3.19Å; I704-D708 HydrophobicContact CG2-CB 4.34Å; I704-R709 HydrophobicContact CG2-CG 4.09Å; I704-M712 HydrophobicContact CD1-CB 3.87Å; I704-M712 HydrophobicContact CG1-CB 4.41Å; I704-M712 HydrophobicContact CG2-CB 4.06Å; I704-M712 HydrophobicContact CG2-CG 4.4Å; I704-W716 HydrophobicContact CD1-CB 4.1Å; I704-W716 HydrophobicContact CD1-CD2 4.18Å; I704-W716 HydrophobicContact CD1-CE3 3.74Å; I704-W716 HydrophobicContact CD1-CG 4.34Å
705	Q	86.8	Confident	87.9	Confident	151 Å²	151	83.8 Å²	83.8	71%	0.706	41%	0.409	S	S	*	.			trans	-55.7	148.4	175.6	-63.5	-170.8	19.2	0	0	111.5	H707 D708 R709	Q705-H707 PolarHBondContact O-N 3.34Å; Q705-D708 PolarHBondContact O-N 3.36Å; Q705-R709 PolarHBondContact O-N 3.48Å
706	P	83.6	Confident	88	Confident	99 Å²	99	82.6 Å²	82.6	64%	0.643	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.6	-171.9	-30.5	36.3	0	0	0	115.6
707	H	86.1	Confident	88.1	Confident	166 Å²	166	84.6 Å²	84.6	77%	0.769	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-48.7	177.2	-175.1	-89.1	0	0	0	112.5	Q705 R709	Q705-H707 PolarHBondContact O-N 3.34Å; H707-R709 VanDerWaalsContact C-N 3.33Å; H707-R709 PolarHBondContact O-N 2.96Å
708	D	87.7	Confident	88.3	Confident	61 Å²	61	89 Å²	89	33%	0.326	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.1	-169.7	-70.6	-10.7	0	0	0	113.7	I704 Q705 K710 K711 M712	I704-D708 HydrophobicContact CG2-CB 4.34Å; Q705-D708 PolarHBondContact O-N 3.36Å; D708-K710 PolarHBondContact O-N 3.45Å; D708-K711 PolarHBondContact O-N 3.46Å; D708-M712 HydrophobicContact CB-CG 4.3Å; D708-M712 PolarHBondContact O-N 3.07Å
709	R	85.3	Confident	88.6	Confident	96 Å²	96	83.5 Å²	83.5	36%	0.362	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-27.2	176.4	-77.3	178.4	166.9	170.1	-7.5	114.6	R700 D701 I704 Q705 H707 K713	R700-R709 PolarHBondContact NH2-O 3.27Å; D701-R709 IonicContact OD1-CZ 3.79Å; D701-R709 IonicContact OD1-NE 3.99Å; D701-R709 PolarHBondContact OD1-NE 3.37Å; D701-R709 IonicContact OD1-NH2 3.53Å; D701-R709 PolarHBondContact OD1-NH2 3.22Å; D701-R709 IonicContact OD2-CZ 2.76Å; D701-R709 IonicContact OD2-NH2 2.94Å; D701-R709 PolarHBondContact OD2-NH2 3.5Å; I704-R709 HydrophobicContact CG2-CG 4.09Å; Q705-R709 PolarHBondContact O-N 3.48Å; H707-R709 VanDerWaalsContact C-N 3.33Å; H707-R709 PolarHBondContact O-N 2.96Å; R709-K713 WeakPolarHBondContact O-CB 3.26Å
710	K	86.2	Confident	88.7	Confident	197 Å²	197	85 Å²	85	86%	0.857	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-45.4	175.2	-70.1	-177.7	-178.8	174	0	112.6	D708	D708-K710 PolarHBondContact O-N 3.45Å
711	K	88.1	Confident	88.7	Confident	144 Å²	144	86.7 Å²	86.7	63%	0.626	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-52.5	178.6	177.7	-175.6	175.3	-174.2	0	110.5	D708 K713	D708-K711 PolarHBondContact O-N 3.46Å; K711-K713 VanDerWaalsContact C-N 3.29Å; K711-K713 PolarHBondContact O-N 3.18Å
712	M	87.4	Confident	88.8	Confident	41 Å²	41	85.8 Å²	85.8	20%	0.202	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.4	-173.1	-64.6	-51.6	-166.9	0	0	114.3	M669 I704 D708 K714 V715 W716	M669-M712 HydrophobicContact CE-CB 4.11Å; M669-M712 HydrophobicContact CE-CG 4.35Å; M669-M712 HydrophobicContact CE-SD 4.21Å; I704-M712 HydrophobicContact CD1-CB 3.87Å; I704-M712 HydrophobicContact CG1-CB 4.41Å; I704-M712 HydrophobicContact CG2-CB 4.06Å; I704-M712 HydrophobicContact CG2-CG 4.4Å; D708-M712 HydrophobicContact CB-CG 4.3Å; D708-M712 PolarHBondContact O-N 3.07Å; M712-K714 VanDerWaalsContact C-N 3.35Å; M712-K714 PolarHBondContact O-N 3.17Å; M712-V715 PolarHBondContact O-N 3.21Å; M712-W716 WeakPolarHBondContact O-CB 3.36Å; M712-W716 PolarHBondContact O-N 3.2Å
713	K	89.6	Confident	89	Confident	108 Å²	108	82.3 Å²	82.3	47%	0.47	38%	0.384	S	S	.	.	H	α-helix	trans	-55.8	-46.6	-179.3	178.4	176.5	171	-177.1	0	112.3	R709 K711 V715 W716 D717	R709-K713 WeakPolarHBondContact O-CB 3.26Å; K711-K713 VanDerWaalsContact C-N 3.29Å; K711-K713 PolarHBondContact O-N 3.18Å; K713-V715 VanDerWaalsContact C-N 3.33Å; K713-V715 PolarHBondContact O-N 3.48Å; K713-W716 PolarHBondContact O-N 3.47Å; K713-D717 WeakPolarHBondContact CE-OD2 3.2Å; K713-D717 WeakPolarHBondContact CG-OD2 3.49Å; K713-D717 IonicContact NZ-OD2 3.01Å; K713-D717 VanDerWaalsContact O-CG 3.24Å; K713-D717 PolarHBondContact O-N 2.87Å
714	K	90.2	Very high	88.9	Confident	162 Å²	162	83 Å²	83	70%	0.704	40%	0.397	S	S	*	.	H	α-helix	trans	-61.5	-42.7	-178.8	-72.7	-170	173.5	-168.1	0	112.2	M712 R718	M712-K714 VanDerWaalsContact C-N 3.35Å; M712-K714 PolarHBondContact O-N 3.17Å; K714-R718 VanDerWaalsContact O-CB 3.25Å; K714-R718 WeakPolarHBondContact O-CB 3.45Å; K714-R718 PolarHBondContact O-N 3.02Å; K714-R718 VanDerWaalsContact O-N 3.13Å
715	V	91	Very high	88.8	Confident	14 Å²	14	86.3 Å²	86.3	9%	0.085	43%	0.426	C	S	.	.	H	α-helix	trans	-66.5	-42.5	178.1	-172	0	0	0	0	110.1	Q665 M666 M669 M712 K713 A719	Q665-V715 VanDerWaalsContact C-CG1 3.46Å; Q665-V715 HydrophobicContact CB-CG1 3.95Å; Q665-V715 HydrophobicContact CB-CG2 4.27Å; Q665-V715 WeakPolarHBondContact O-CG1 3.48Å; M666-V715 HydrophobicContact CB-CG1 4.39Å; M669-V715 HydrophobicContact CB-CG1 4.17Å; M669-V715 HydrophobicContact CE-CB 3.86Å; M669-V715 HydrophobicContact CE-CG1 3.63Å; M669-V715 HydrophobicContact SD-CB 4.16Å; M669-V715 HydrophobicContact SD-CG1 3.85Å; M712-V715 PolarHBondContact O-N 3.21Å; K713-V715 VanDerWaalsContact C-N 3.33Å; K713-V715 PolarHBondContact O-N 3.48Å; V715-A719 WeakPolarHBondContact O-CB 3.35Å; V715-A719 PolarHBondContact O-N 3.26Å
716	W	91.6	Very high	88.7	Confident	11 Å²	11	84 Å²	84	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-61.5	-54.1	176.7	178.6	-89.6	0	0	0	112.5	M669 I673 I696 V699 R700 L703 I704 M712 K713 R718 A719 V720 W745	M669-W716 HydrophobicContact CG-CE3 4.4Å; M669-W716 WeakPolarHBondContact SD-CA 3.3Å; M669-W716 HydrophobicContact SD-CB 3.93Å; M669-W716 HydrophobicContact SD-CE3 3.88Å; M669-W716 PolarHBondContact SD-N 3.14Å; I673-W716 HydrophobicContact CD1-CE3 4.17Å; I673-W716 HydrophobicContact CD1-CH2 4.05Å; I673-W716 HydrophobicContact CD1-CZ3 3.66Å; I673-W716 HydrophobicContact CG1-CH2 4.11Å; I673-W716 HydrophobicContact CG1-CZ3 3.77Å; I696-W716 HydrophobicContact CG2-CZ2 3.86Å; V699-W716 HydrophobicContact CB-CH2 4.27Å; V699-W716 HydrophobicContact CG1-CH2 4.47Å; R700-W716 VanDerWaalsContact CA-CH2 3.48Å; R700-W716 HydrophobicContact CB-CD2 4.31Å; R700-W716 HydrophobicContact CB-CE3 4.43Å; R700-W716 HydrophobicContact CB-CH2 3.7Å; R700-W716 HydrophobicContact CB-CZ2 3.54Å; R700-W716 HydrophobicContact CB-CZ3 4.14Å; R700-W716 HydrophobicContact CG-CD2 3.86Å; R700-W716 HydrophobicContact CG-CE3 4.13Å; R700-W716 HydrophobicContact CG-CG 4.42Å; R700-W716 HydrophobicContact CG-CH2 4.27Å; R700-W716 HydrophobicContact CG-CZ2 4.02Å; R700-W716 HydrophobicContact CG-CZ3 4.31Å; L703-W716 HydrophobicContact CD1-CZ3 4.3Å; I704-W716 HydrophobicContact CD1-CB 4.1Å; I704-W716 HydrophobicContact CD1-CD2 4.18Å; I704-W716 HydrophobicContact CD1-CE3 3.74Å; I704-W716 HydrophobicContact CD1-CG 4.34Å; M712-W716 WeakPolarHBondContact O-CB 3.36Å; M712-W716 PolarHBondContact O-N 3.2Å; K713-W716 PolarHBondContact O-N 3.47Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 3.23Å; W716-A719 PolarHBondContact O-N 2.9Å; W716-A719 VanDerWaalsContact O-N 3.13Å; W716-V720 HydrophobicContact CD2-CG2 4.37Å; W716-V720 HydrophobicContact CZ2-CG2 4.08Å; W716-V720 VanDerWaalsContact O-CG2 3.31Å; W716-V720 WeakPolarHBondContact O-CG2 3.32Å; W716-V720 PolarHBondContact O-N 3.36Å; W716-W745 AromaticContact CH2-CH2 3.84Å; W716-W745 HydrophobicContact CH2-CH2 3.84Å; W716-W745 AromaticContact CH2-CZ3 3.82Å; W716-W745 HydrophobicContact CH2-CZ3 3.82Å; W716-W745 AromaticContact CZ2-CH2 3.8Å; W716-W745 HydrophobicContact CZ2-CH2 3.8Å; W716-W745 HydrophobicContact CZ2-CZ3 4.11Å
717	D	90.9	Very high	88.7	Confident	65 Å²	65	80.7 Å²	80.7	35%	0.348	40%	0.395	S	S	.	.	H	α-helix	trans	-58.7	-44.5	-178.8	-62.7	-12.8	0	0	0	109.9	K713 A719 V720 D721	K713-D717 WeakPolarHBondContact CE-OD2 3.2Å; K713-D717 WeakPolarHBondContact CG-OD2 3.49Å; K713-D717 IonicContact NZ-OD2 3.01Å; K713-D717 VanDerWaalsContact O-CG 3.24Å; K713-D717 PolarHBondContact O-N 2.87Å; D717-A719 PolarHBondContact O-N 3.2Å; D717-V720 PolarHBondContact O-N 3.18Å; D717-D721 PolarHBondContact O-N 2.96Å
718	R	91.3	Very high	88.4	Confident	158 Å²	158	77.8 Å²	77.8	60%	0.596	39%	0.393	S	S	*	.	H	α-helix	trans	-65.5	-35.7	176	-173.6	62.5	167.2	-178.2	-3.2	113.7	M666 K714 W716 F722	M666-R718 HydrophobicContact CG-CG 4.17Å; M666-R718 HydrophobicContact SD-CG 3.75Å; K714-R718 VanDerWaalsContact O-CB 3.25Å; K714-R718 WeakPolarHBondContact O-CB 3.45Å; K714-R718 PolarHBondContact O-N 3.02Å; K714-R718 VanDerWaalsContact O-N 3.13Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 3.23Å; R718-F722 WeakPolarHBondContact O-CB 3.2Å; R718-F722 PolarHBondContact O-N 3.43Å
719	A	92.8	Very high	88.1	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-71.2	-35.8	176.1	0	0	0	0	0	112	M666 M669 V670 I673 V715 W716 D717 F722 L723	M666-A719 HydrophobicContact CG-CB 4.21Å; M669-A719 HydrophobicContact CB-CB 4.34Å; M669-A719 HydrophobicContact CG-CB 4.31Å; M669-A719 HydrophobicContact SD-CB 4.45Å; V670-A719 HydrophobicContact CG2-CB 3.77Å; I673-A719 HydrophobicContact CD1-CB 4.33Å; V715-A719 WeakPolarHBondContact O-CB 3.35Å; V715-A719 PolarHBondContact O-N 3.26Å; W716-A719 PolarHBondContact O-N 2.9Å; W716-A719 VanDerWaalsContact O-N 3.13Å; D717-A719 PolarHBondContact O-N 3.2Å; A719-F722 PolarHBondContact O-N 3.47Å; A719-L723 VanDerWaalsContact O-CB 3.27Å; A719-L723 WeakPolarHBondContact O-CB 3.44Å; A719-L723 PolarHBondContact O-N 2.92Å
720	V	91.5	Very high	88.2	Confident	31 Å²	31	74.6 Å²	74.6	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-46.4	172.4	172.2	0	0	0	0	110.5	W716 D717 L723 A724 W745	W716-V720 HydrophobicContact CD2-CG2 4.37Å; W716-V720 HydrophobicContact CZ2-CG2 4.08Å; W716-V720 VanDerWaalsContact O-CG2 3.31Å; W716-V720 WeakPolarHBondContact O-CG2 3.32Å; W716-V720 PolarHBondContact O-N 3.36Å; D717-V720 PolarHBondContact O-N 3.18Å; V720-L723 PolarHBondContact O-N 3.06Å; V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 2.97Å; V720-W745 HydrophobicContact CB-CZ2 4.43Å; V720-W745 HydrophobicContact CG1-CZ2 4.24Å; V720-W745 HydrophobicContact CG2-CH2 3.92Å; V720-W745 HydrophobicContact CG2-CZ2 3.86Å
721	D	90.6	Very high	88.1	Confident	101 Å²	101	72.2 Å²	72.2	54%	0.54	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176	-66.1	-23.2	0	0	0	111.3	D717 A724 A725	D717-D721 PolarHBondContact O-N 2.96Å; D721-A724 PolarHBondContact O-N 3.19Å; D721-A725 WeakPolarHBondContact O-CB 3.43Å; D721-A725 PolarHBondContact O-N 2.75Å
722	F	90.8	Very high	88.1	Confident	57 Å²	57	68.1 Å²	68.1	25%	0.25	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-44.6	177.2	-176.6	-80.9	0	0	0	112.2	M666 Y667 V670 R718 A719 A725 N726	M666-F722 HydrophobicContact CE-CD2 3.6Å; M666-F722 HydrophobicContact CE-CE2 3.94Å; M666-F722 HydrophobicContact CE-CG 4.08Å; M666-F722 HydrophobicContact SD-CB 4.12Å; M666-F722 HydrophobicContact SD-CD2 4.06Å; M666-F722 HydrophobicContact SD-CG 4.26Å; Y667-F722 HydrophobicContact CD1-CZ 4.36Å; Y667-F722 HydrophobicContact CE1-CE1 4.37Å; Y667-F722 AromaticContact CE1-CE2 3.75Å; Y667-F722 HydrophobicContact CE1-CE2 3.75Å; Y667-F722 AromaticContact CE1-CZ 3.66Å; Y667-F722 HydrophobicContact CE1-CZ 3.66Å; V670-F722 HydrophobicContact CG1-CD1 4.35Å; V670-F722 HydrophobicContact CG1-CE1 4.5Å; V670-F722 HydrophobicContact CG2-CD1 3.98Å; R718-F722 WeakPolarHBondContact O-CB 3.2Å; R718-F722 PolarHBondContact O-N 3.43Å; A719-F722 PolarHBondContact O-N 3.47Å; F722-A725 PolarHBondContact O-N 2.92Å; F722-N726 HydrophobicContact CD1-CB 4.42Å; F722-N726 VanDerWaalsContact CD2-ND2 3.27Å; F722-N726 WeakPolarHBondContact CD2-ND2 3.35Å; F722-N726 HydrophobicContact CE1-CB 4.07Å; F722-N726 WeakPolarHBondContact CE2-ND2 3.41Å; F722-N726 HydrophobicContact CZ-CB 4.21Å; F722-N726 WeakPolarHBondContact CZ-ND2 3.14Å; F722-N726 WeakPolarHBondContact O-CB 3.36Å; F722-N726 PolarHBondContact O-N 3.04Å
723	L	90.3	Very high	87.9	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-44.3	178.4	-166	81.8	0	0	0	110.8	V670 I673 I674 A719 V720 A725 E727 V730 W745	V670-L723 HydrophobicContact CG1-CD1 4.09Å; I673-L723 HydrophobicContact CG2-CD2 3.85Å; I674-L723 HydrophobicContact CD1-CD1 4.26Å; I674-L723 HydrophobicContact CG1-CD1 4.09Å; A719-L723 VanDerWaalsContact O-CB 3.27Å; A719-L723 WeakPolarHBondContact O-CB 3.44Å; A719-L723 PolarHBondContact O-N 2.92Å; V720-L723 PolarHBondContact O-N 3.06Å; L723-A725 VanDerWaalsContact C-N 3.31Å; L723-A725 PolarHBondContact O-N 3.12Å; L723-E727 HydrophobicContact CD1-CB 3.64Å; L723-E727 HydrophobicContact CD1-CG 3.71Å; L723-E727 HydrophobicContact CG-CB 4.02Å; L723-E727 HydrophobicContact CG-CG 4.39Å; L723-E727 WeakPolarHBondContact O-CB 3.48Å; L723-E727 PolarHBondContact O-N 2.59Å; L723-V730 HydrophobicContact CD2-CB 4.33Å; L723-V730 HydrophobicContact CD2-CG1 4.05Å; L723-V730 HydrophobicContact CG-CB 4.48Å; L723-W745 HydrophobicContact CD2-CD2 4.19Å; L723-W745 HydrophobicContact CD2-CH2 4.07Å; L723-W745 HydrophobicContact CD2-CZ2 3.6Å
724	A	86.4	Confident	87.7	Confident	70 Å²	70	67.5 Å²	67.5	58%	0.579	36%	0.355	S	S	*	.	H	α-helix	trans	-67.2	-28.9	179.4	0	0	0	0	0	113.7	V720 D721	V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 2.97Å; D721-A724 PolarHBondContact O-N 3.19Å
725	A	87.3	Confident	87.3	Confident	79 Å²	79	65.3 Å²	65.3	65%	0.653	34%	0.343	S	S	*	.	H	α-helix	trans	-83.9	-41.3	177.2	0	0	0	0	0	113.4	D721 F722 L723	D721-A725 WeakPolarHBondContact O-CB 3.43Å; D721-A725 PolarHBondContact O-N 2.75Å; F722-A725 PolarHBondContact O-N 2.92Å; L723-A725 VanDerWaalsContact C-N 3.31Å; L723-A725 PolarHBondContact O-N 3.12Å
726	N	84.4	Confident	87	Confident	101 Å²	101	72.2 Å²	72.2	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-114.8	-18.6	-163.1	-59.9	-35.4	0	0	0	114.9	F722	F722-N726 HydrophobicContact CD1-CB 4.42Å; F722-N726 VanDerWaalsContact CD2-ND2 3.27Å; F722-N726 WeakPolarHBondContact CD2-ND2 3.35Å; F722-N726 HydrophobicContact CE1-CB 4.07Å; F722-N726 WeakPolarHBondContact CE2-ND2 3.41Å; F722-N726 HydrophobicContact CZ-CB 4.21Å; F722-N726 WeakPolarHBondContact CZ-ND2 3.14Å; F722-N726 WeakPolarHBondContact O-CB 3.36Å; F722-N726 PolarHBondContact O-N 3.04Å
727	E	83.3	Confident	86.4	Confident	30 Å²	30	74.1 Å²	74.1	14%	0.14	38%	0.377	C	S	.	.			trans	-103.5	88.5	-172	-176.4	52	-95.3	0	0	112.5	I674 L723 R729 V730	I674-E727 HydrophobicContact CD1-CG 4.29Å; I674-E727 WeakPolarHBondContact CD1-OE2 3.44Å; L723-E727 HydrophobicContact CD1-CB 3.64Å; L723-E727 HydrophobicContact CD1-CG 3.71Å; L723-E727 HydrophobicContact CG-CB 4.02Å; L723-E727 HydrophobicContact CG-CG 4.39Å; L723-E727 WeakPolarHBondContact O-CB 3.48Å; L723-E727 PolarHBondContact O-N 2.59Å; E727-R729 VanDerWaalsContact CD-NE 3.29Å; E727-R729 HydrophobicContact CG-CB 4.44Å; E727-R729 PolarHBondContact O-N 3.13Å; E727-R729 VanDerWaalsContact O-N 3.08Å; E727-R729 WeakPolarHBondContact OE1-CB 3.43Å; E727-R729 WeakPolarHBondContact OE1-CG 3.41Å; E727-R729 IonicContact OE1-CZ 2.69Å; E727-R729 PolarHBondContact OE1-N 2.87Å; E727-R729 IonicContact OE1-NE 3.35Å; E727-R729 PolarHBondContact OE1-NE 3.32Å; E727-R729 IonicContact OE1-NH2 3.96Å; E727-R729 IonicContact OE2-CZ 3.77Å; E727-R729 IonicContact OE2-NE 2.78Å; E727-R729 PolarHBondContact OE2-NE 3.06Å; E727-R729 IonicContact OE2-NH2 3.68Å; E727-R729 PolarHBondContact OE2-NH2 3.41Å; E727-V730 HydrophobicContact CG-CB 4.39Å; E727-V730 HydrophobicContact CG-CG2 3.96Å; E727-V730 PolarHBondContact O-N 2.96Å; E727-V730 VanDerWaalsContact O-N 3.17Å
728	S	79.8	Confident	85.5	Confident	106 Å²	106	75.3 Å²	75.3	74%	0.741	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.2	-179.6	62.6	0	0	0	0	114.5	V730 I748	S728-V730 VanDerWaalsContact C-N 3.32Å; S728-I748 WeakPolarHBondContact O-CD1 3.25Å
729	R	82.5	Confident	85.1	Confident	78 Å²	78	70.4 Å²	70.4	29%	0.294	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.9	177	-59.9	176.7	-76.4	175.8	-1	113.9	E727 W747 I748 Q749	E727-R729 VanDerWaalsContact CD-NE 3.29Å; E727-R729 HydrophobicContact CG-CB 4.44Å; E727-R729 PolarHBondContact O-N 3.13Å; E727-R729 VanDerWaalsContact O-N 3.08Å; E727-R729 WeakPolarHBondContact OE1-CB 3.43Å; E727-R729 WeakPolarHBondContact OE1-CG 3.41Å; E727-R729 IonicContact OE1-CZ 2.69Å; E727-R729 PolarHBondContact OE1-N 2.87Å; E727-R729 IonicContact OE1-NE 3.35Å; E727-R729 PolarHBondContact OE1-NE 3.32Å; E727-R729 IonicContact OE1-NH2 3.96Å; E727-R729 IonicContact OE2-CZ 3.77Å; E727-R729 IonicContact OE2-NE 2.78Å; E727-R729 PolarHBondContact OE2-NE 3.06Å; E727-R729 IonicContact OE2-NH2 3.68Å; E727-R729 PolarHBondContact OE2-NH2 3.41Å; R729-W747 HydrophobicContact CB-CH2 4Å; R729-W747 HydrophobicContact CB-CZ2 4.23Å; R729-W747 HydrophobicContact CB-CZ3 4.21Å; R729-I748 PolarHBondContact O-N 3.25Å; R729-Q749 HydrophobicContact CB-CB 4.13Å; R729-Q749 HydrophobicContact CG-CB 4.01Å; R729-Q749 HydrophobicContact CG-CG 4.46Å
730	V	86.5	Confident	84.6	Confident	12 Å²	12	72.7 Å²	72.7	7%	0.073	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.3	-176.3	-175.8	0	0	0	0	111.3	L677 L723 E727 S728 W745 W747	L677-V730 HydrophobicContact CD1-CG1 3.86Å; L677-V730 HydrophobicContact CD1-CG2 3.81Å; L723-V730 HydrophobicContact CD2-CB 4.33Å; L723-V730 HydrophobicContact CD2-CG1 4.05Å; L723-V730 HydrophobicContact CG-CB 4.48Å; E727-V730 HydrophobicContact CG-CB 4.39Å; E727-V730 HydrophobicContact CG-CG2 3.96Å; E727-V730 PolarHBondContact O-N 2.96Å; E727-V730 VanDerWaalsContact O-N 3.17Å; S728-V730 VanDerWaalsContact C-N 3.32Å; V730-W745 HydrophobicContact CG1-CB 3.84Å; V730-W745 HydrophobicContact CG1-CD2 4.4Å; V730-W745 HydrophobicContact CG1-CG 3.71Å; V730-W747 HydrophobicContact CG2-CE3 3.77Å; V730-W747 HydrophobicContact CG2-CZ3 3.75Å
731	R	83.9	Confident	84.4	Confident	147 Å²	147	75.7 Å²	75.7	56%	0.555	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.3	169.3	-156.5	173	-178.9	89.8	-0.9	109.7	W745 R746 I748	R731-W745 WeakPolarHBondContact O-CA 3.39Å; R731-R746 HydrophobicContact CB-CB 4.43Å; R731-R746 PolarHBondContact N-O 3.35Å; R731-R746 PolarHBondContact O-N 2.93Å; R731-I748 HydrophobicContact CB-CD1 3.59Å; R731-I748 HydrophobicContact CB-CG1 3.75Å; R731-I748 HydrophobicContact CG-CD1 4.3Å
732	T	87.2	Confident	84.2	Confident	57 Å²	57	74.9 Å²	74.9	35%	0.35	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121	157.8	-57.6	0	0	0	0	108.5	I696 L743 W745	I696-T732 HydrophobicContact CD1-CG2 4.13Å; T732-L743 HydrophobicContact CG2-CD2 3.83Å; T732-W745 VanDerWaalsContact OG1-CD1 3.28Å; T732-W745 PolarHBondContact OG1-NE1 3.21Å; T732-W745 VanDerWaalsContact OG1-NE1 3.11Å
733	E	84.3	Confident	84.1	Confident	44 Å²	44	76.6 Å²	76.6	21%	0.206	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	178.2	-170.2	179.5	136.2	0	0	108.8	R735 V744 R746	E733-R735 IonicContact OE1-NH1 2.72Å; E733-R735 PolarHBondContact OE1-NH1 2.95Å; E733-V744 HydrophobicContact CB-CG2 4.02Å; E733-V744 PolarHBondContact N-O 2.89Å; E733-V744 WeakPolarHBondContact O-CG2 3.26Å; E733-V744 PolarHBondContact O-N 2.9Å; E733-R746 IonicContact OE2-NH1 3.91Å
734	T	86.1	Confident	84	Confident	93 Å²	93	76.5 Å²	76.5	57%	0.571	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.7	168.6	-58.4	0	0	0	0	108.4	D741 F742 L743	T734-D741 HydrophobicContact CG2-CB 4.11Å; T734-F742 CarbonylContact C-O 3.48Å; T734-F742 WeakPolarHBondContact CA-O 3.34Å; T734-L743 WeakPolarHBondContact OG1-CD2 3.23Å
735	R	81.5	Confident	84.2	Confident	116 Å²	116	73.2 Å²	73.2	44%	0.438	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.1	-174.7	-164	75	-165.6	177.6	4.9	110.9	Y693 E733 I737 F742 V744	Y693-R735 HydrophobicContact CE2-CG 4.17Å; E733-R735 IonicContact OE1-NH1 2.72Å; E733-R735 PolarHBondContact OE1-NH1 2.95Å; R735-I737 HydrophobicContact CG-CG1 4.4Å; R735-I737 PolarHBondContact O-N 2.96Å; R735-F742 PolarHBondContact N-O 3.47Å; R735-F742 PolarHBondContact O-N 2.7Å; R735-V744 HydrophobicContact CB-CG1 3.99Å; R735-V744 HydrophobicContact CB-CG2 3.81Å
736	R	84	Confident	84.2	Confident	159 Å²	159	75 Å²	75	60%	0.6	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.4	171.3	-169.3	161.2	-73	-157	-4.8	110.3	A740 D741	R736-A740 CarbonylContact C-O 3.46Å; R736-A740 WeakPolarHBondContact CA-O 3.47Å; R736-D741 VanDerWaalsContact CB-OD1 3.3Å; R736-D741 WeakPolarHBondContact CB-OD1 3.41Å; R736-D741 IonicContact CZ-OD1 2.73Å; R736-D741 IonicContact CZ-OD2 3.04Å; R736-D741 IonicContact NE-OD1 3.61Å; R736-D741 PolarHBondContact NE-OD1 3.15Å; R736-D741 IonicContact NE-OD2 3.12Å; R736-D741 IonicContact NH2-OD1 3.79Å; R736-D741 PolarHBondContact NH2-OD1 2.85Å; R736-D741 IonicContact NH2-OD2 3.61Å; R736-D741 PolarHBondContact NH2-OD2 3.04Å
737	I	78.4	Confident	84.2	Confident	50 Å²	50	71.2 Å²	71.2	26%	0.256	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	176.9	-54.5	175.1	0	0	0	107.4	Y693 P695 R735 G739 A740 F742 V744	Y693-I737 HydrophobicContact CD2-CD1 4.41Å; Y693-I737 HydrophobicContact CE2-CD1 3.92Å; Y693-I737 HydrophobicContact CE2-CG1 4.31Å; P695-I737 HydrophobicContact CG-CD1 4Å; R735-I737 HydrophobicContact CG-CG1 4.4Å; R735-I737 PolarHBondContact O-N 2.96Å; I737-G739 PolarHBondContact O-N 2.83Å; I737-G739 VanDerWaalsContact O-N 3.11Å; I737-A740 PolarHBondContact N-O 2.92Å; I737-A740 PolarHBondContact O-N 2.7Å; I737-A740 VanDerWaalsContact O-N 3.09Å; I737-A740 VanDerWaalsContact O-O 3.08Å; I737-F742 HydrophobicContact CB-CD2 4Å; I737-F742 HydrophobicContact CB-CE2 4.44Å; I737-V744 HydrophobicContact CD1-CG1 3.84Å
738	G	72.9	Confident	83.9	Confident	91 Å²	91	73.7 Å²	73.7	94%	0.938	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.3	-178.9	0	0	0	0	0	114.7
739	G	81.9	Confident	83.2	Confident	54 Å²	54	73 Å²	73	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-13	-176.9	0	0	0	0	0	115.6	I737	I737-G739 PolarHBondContact O-N 2.83Å; I737-G739 VanDerWaalsContact O-N 3.11Å
740	A	83.2	Confident	81.9	Confident	48 Å²	48	74.5 Å²	74.5	40%	0.397	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.7	176.8	0	0	0	0	0	112	R736 I737 F742	R736-A740 CarbonylContact C-O 3.46Å; R736-A740 WeakPolarHBondContact CA-O 3.47Å; I737-A740 PolarHBondContact N-O 2.92Å; I737-A740 PolarHBondContact O-N 2.7Å; I737-A740 VanDerWaalsContact O-N 3.09Å; I737-A740 VanDerWaalsContact O-O 3.08Å; A740-F742 HydrophobicContact CB-CD2 4.38Å; A740-F742 HydrophobicContact CB-CE2 3.76Å; A740-F742 HydrophobicContact CB-CZ 4.3Å; A740-F742 WeakPolarHBondContact O-CD2 3.39Å
741	D	87.1	Confident	80.1	Confident	94 Å²	94	75.5 Å²	75.5	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.4	-178.2	-59.7	-44.3	0	0	0	110.9	T734 R736	T734-D741 HydrophobicContact CG2-CB 4.11Å; R736-D741 VanDerWaalsContact CB-OD1 3.3Å; R736-D741 WeakPolarHBondContact CB-OD1 3.41Å; R736-D741 IonicContact CZ-OD1 2.73Å; R736-D741 IonicContact CZ-OD2 3.04Å; R736-D741 IonicContact NE-OD1 3.61Å; R736-D741 PolarHBondContact NE-OD1 3.15Å; R736-D741 IonicContact NE-OD2 3.12Å; R736-D741 IonicContact NH2-OD1 3.79Å; R736-D741 PolarHBondContact NH2-OD1 2.85Å; R736-D741 IonicContact NH2-OD2 3.61Å; R736-D741 PolarHBondContact NH2-OD2 3.04Å
742	F	86	Confident	78.4	Confident	85 Å²	85	71.9 Å²	71.9	37%	0.373	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.7	-179.8	-70.2	-86	0	0	0	111.5	T734 R735 I737 A740	T734-F742 CarbonylContact C-O 3.48Å; T734-F742 WeakPolarHBondContact CA-O 3.34Å; R735-F742 PolarHBondContact N-O 3.47Å; R735-F742 PolarHBondContact O-N 2.7Å; I737-F742 HydrophobicContact CB-CD2 4Å; I737-F742 HydrophobicContact CB-CE2 4.44Å; A740-F742 HydrophobicContact CB-CD2 4.38Å; A740-F742 HydrophobicContact CB-CE2 3.76Å; A740-F742 HydrophobicContact CB-CZ 4.3Å; A740-F742 WeakPolarHBondContact O-CD2 3.39Å
743	L	88.4	Confident	76.3	Confident	92 Å²	92	71.2 Å²	71.2	48%	0.482	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.6	163	-70.6	162.7	0	0	0	109	I696 T732 T734	I696-L743 HydrophobicContact CD1-CB 3.82Å; I696-L743 HydrophobicContact CG1-CB 4.3Å; I696-L743 PolarHBondContact N-O 3.09Å; T732-L743 HydrophobicContact CG2-CD2 3.83Å; T734-L743 WeakPolarHBondContact OG1-CD2 3.23Å
744	V	89.6	Confident	74.2	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.006	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.7	177	-55.9	0	0	0	0	110	Y693 M694 P695 E733 R735 I737	Y693-V744 HydrophobicContact CD2-CB 4.32Å; Y693-V744 HydrophobicContact CD2-CG1 4.1Å; Y693-V744 HydrophobicContact CD2-CG2 4.31Å; Y693-V744 HydrophobicContact CG-CG2 4.45Å; M694-V744 WeakPolarHBondContact O-CA 3.34Å; P695-V744 HydrophobicContact CB-CG1 4.5Å; P695-V744 HydrophobicContact CG-CG1 4.4Å; E733-V744 HydrophobicContact CB-CG2 4.02Å; E733-V744 PolarHBondContact N-O 2.89Å; E733-V744 WeakPolarHBondContact O-CG2 3.26Å; E733-V744 PolarHBondContact O-N 2.9Å; R735-V744 HydrophobicContact CB-CG1 3.99Å; R735-V744 HydrophobicContact CB-CG2 3.81Å; I737-V744 HydrophobicContact CD1-CG1 3.84Å
745	W	90.6	Very high	71.9	Confident	1 Å²	1	72.8 Å²	72.8	0%	0.004	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.4	164	-76.5	-33.4	0	0	0	110.1	I673 L677 Y693 M694 I696 V699 W716 V720 L723 V730 R731 T732	I673-W745 HydrophobicContact CB-CZ3 4.44Å; I673-W745 HydrophobicContact CD1-CH2 4.04Å; I673-W745 HydrophobicContact CD1-CZ3 4.37Å; I673-W745 HydrophobicContact CG1-CH2 4.4Å; I673-W745 HydrophobicContact CG1-CZ3 4.23Å; I673-W745 HydrophobicContact CG2-CE3 3.91Å; I673-W745 HydrophobicContact CG2-CH2 3.82Å; I673-W745 HydrophobicContact CG2-CZ3 3.39Å; L677-W745 HydrophobicContact CD1-CB 4.19Å; L677-W745 HydrophobicContact CD1-CD2 4.29Å; L677-W745 HydrophobicContact CD1-CE3 3.97Å; L677-W745 HydrophobicContact CD1-CG 4.42Å; L677-W745 HydrophobicContact CD2-CB 3.61Å; L677-W745 HydrophobicContact CD2-CE3 4.47Å; Y693-W745 WeakPolarHBondContact CA-O 3.24Å; M694-W745 PolarHBondContact N-O 2.98Å; M694-W745 PolarHBondContact O-N 3.39Å; I696-W745 HydrophobicContact CD1-CD2 4.17Å; I696-W745 HydrophobicContact CD1-CG 4.32Å; I696-W745 HydrophobicContact CD1-CZ2 4.15Å; I696-W745 HydrophobicContact CG1-CD2 3.79Å; I696-W745 HydrophobicContact CG1-CE3 4.28Å; I696-W745 HydrophobicContact CG1-CG 3.99Å; I696-W745 HydrophobicContact CG1-CZ2 4.35Å; I696-W745 HydrophobicContact CG2-CH2 4.25Å; I696-W745 HydrophobicContact CG2-CZ2 4.31Å; I696-W745 HydrophobicContact CG2-CZ3 4.49Å; V699-W745 HydrophobicContact CB-CE3 4.18Å; V699-W745 HydrophobicContact CB-CZ3 4Å; V699-W745 HydrophobicContact CG1-CE3 4.27Å; V699-W745 HydrophobicContact CG1-CZ3 3.99Å; V699-W745 HydrophobicContact CG2-CE3 3.83Å; V699-W745 HydrophobicContact CG2-CZ3 4.16Å; W716-W745 AromaticContact CH2-CH2 3.84Å; W716-W745 HydrophobicContact CH2-CH2 3.84Å; W716-W745 AromaticContact CH2-CZ3 3.82Å; W716-W745 HydrophobicContact CH2-CZ3 3.82Å; W716-W745 AromaticContact CZ2-CH2 3.8Å; W716-W745 HydrophobicContact CZ2-CH2 3.8Å; W716-W745 HydrophobicContact CZ2-CZ3 4.11Å; V720-W745 HydrophobicContact CB-CZ2 4.43Å; V720-W745 HydrophobicContact CG1-CZ2 4.24Å; V720-W745 HydrophobicContact CG2-CH2 3.92Å; V720-W745 HydrophobicContact CG2-CZ2 3.86Å; L723-W745 HydrophobicContact CD2-CD2 4.19Å; L723-W745 HydrophobicContact CD2-CH2 4.07Å; L723-W745 HydrophobicContact CD2-CZ2 3.6Å; V730-W745 HydrophobicContact CG1-CB 3.84Å; V730-W745 HydrophobicContact CG1-CD2 4.4Å; V730-W745 HydrophobicContact CG1-CG 3.71Å; R731-W745 WeakPolarHBondContact O-CA 3.39Å; T732-W745 VanDerWaalsContact OG1-CD1 3.28Å; T732-W745 PolarHBondContact OG1-NE1 3.21Å; T732-W745 VanDerWaalsContact OG1-NE1 3.11Å
746	R	85.7	Confident	70.2	Confident	115 Å²	115	75.6 Å²	75.6	43%	0.434	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.3	176.6	176.6	178	176.8	-178.9	-0.4	108.6	R731 E733 I748	R731-R746 HydrophobicContact CB-CB 4.43Å; R731-R746 PolarHBondContact N-O 3.35Å; R731-R746 PolarHBondContact O-N 2.93Å; E733-R746 IonicContact OE2-NH1 3.91Å; R746-I748 PolarHBondContact O-N 2.85Å
747	W	85.8	Confident	68.2	Low	23 Å²	23	74.1 Å²	74.1	9%	0.087	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	118.2	171.4	-164.9	-104.6	0	0	0	108.4	I674 L677 R678 N681 R729 V730 Q749	I674-W747 HydrophobicContact CG2-CH2 3.9Å; I674-W747 HydrophobicContact CG2-CZ3 4.1Å; L677-W747 HydrophobicContact CB-CE3 3.88Å; L677-W747 HydrophobicContact CB-CZ3 4.3Å; R678-W747 HydrophobicContact CG-CZ2 4.44Å; N681-W747 HydrophobicContact CB-CB 4.13Å; N681-W747 HydrophobicContact CB-CG 4.1Å; R729-W747 HydrophobicContact CB-CH2 4Å; R729-W747 HydrophobicContact CB-CZ2 4.23Å; R729-W747 HydrophobicContact CB-CZ3 4.21Å; V730-W747 HydrophobicContact CG2-CE3 3.77Å; V730-W747 HydrophobicContact CG2-CZ3 3.75Å; W747-Q749 HydrophobicContact CZ2-CB 4.32Å
748	I	76.1	Confident	66.4	Low	81 Å²	81	75.1 Å²	75.1	42%	0.415	44%	0.443	S	S	.	.			trans	-96	-27.5	-178.1	-26.4	176.3	0	0	0	111.6	S728 R729 R731 R746 P750	S728-I748 WeakPolarHBondContact O-CD1 3.25Å; R729-I748 PolarHBondContact O-N 3.25Å; R731-I748 HydrophobicContact CB-CD1 3.59Å; R731-I748 HydrophobicContact CB-CG1 3.75Å; R731-I748 HydrophobicContact CG-CD1 4.3Å; R746-I748 PolarHBondContact O-N 2.85Å; I748-P750 VanDerWaalsContact O-CD 3.25Å; I748-P750 WeakPolarHBondContact O-CD 3.32Å; I748-P750 VanDerWaalsContact O-N 3.08Å
749	Q	65.4	Low	64.9	Low	92 Å²	92	77.3 Å²	77.3	43%	0.43	44%	0.437	S	S	.	.	S	Bend	trans	-56.8	119.9	-178.2	-172.6	-179	6.7	0	0	108.5	R729 W747 S751	R729-Q749 HydrophobicContact CB-CB 4.13Å; R729-Q749 HydrophobicContact CG-CB 4.01Å; R729-Q749 HydrophobicContact CG-CG 4.46Å; W747-Q749 HydrophobicContact CZ2-CB 4.32Å; Q749-S751 PolarHBondContact O-N 3.19Å; Q749-S751 VanDerWaalsContact O-N 3.12Å
750	P	55.8	Low	63	Low	109 Å²	109	78.8 Å²	78.8	71%	0.708	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.6	170.3	-19.8	32.3	0	0	0	107.4	I748	I748-P750 VanDerWaalsContact O-CD 3.25Å; I748-P750 WeakPolarHBondContact O-CD 3.32Å; I748-P750 VanDerWaalsContact O-N 3.08Å
751	S	48.6	Very low	61.3	Low	34 Å²	34	81.1 Å²	81.1	24%	0.238	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-58.9	155.8	159.5	68.7	0	0	0	0	108.1	Q685 Q749 S753	Q685-S751 VanDerWaalsContact CD-OG 3.24Å; Q685-S751 PolarHBondContact NE2-OG 3.49Å; Q685-S751 VanDerWaalsContact NE2-OG 3.15Å; Q685-S751 PolarHBondContact OE1-OG 3.19Å; Q749-S751 PolarHBondContact O-N 3.19Å; Q749-S751 VanDerWaalsContact O-N 3.12Å; S751-S753 PolarHBondContact O-N 2.69Å; S751-S753 WeakPolarHBondContact OG-CB 3.15Å; S751-S753 PolarHBondContact OG-OG 3Å
752	A	48.2	Very low	60	Low	71 Å²	71	77.8 Å²	77.8	59%	0.587	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-67.1	30.4	177.4	0	0	0	0	0	113.5	C754 D755	A752-C754 VanDerWaalsContact C-N 3.32Å; A752-D755 WeakPolarHBondContact O-CA 3.42Å; A752-D755 WeakPolarHBondContact O-CB 3.41Å; A752-D755 PolarHBondContact O-N 3.37Å
753	S	43.3	Very low	59.3	Low	42 Å²	42	75.4 Å²	75.4	29%	0.294	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-83.8	-5.2	178.4	58.6	0	0	0	0	113.7	Q685 S751 D755	Q685-S753 VanDerWaalsContact NE2-CB 3.26Å; Q685-S753 PolarHBondContact NE2-OG 3.27Å; S751-S753 PolarHBondContact O-N 2.69Å; S751-S753 WeakPolarHBondContact OG-CB 3.15Å; S751-S753 PolarHBondContact OG-OG 3Å; S753-D755 PolarHBondContact O-N 3.44Å
754	C	39.3	Very low	59.1	Low	99 Å²	99	74.6 Å²	74.6	67%	0.669	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-59	-27.5	151.7	51.5	0	0	0	0	111.4	A752 K756	A752-C754 VanDerWaalsContact C-N 3.32Å; C754-K756 PolarHBondContact O-N 2.96Å
755	D	38.5	Very low	58.9	Low	71 Å²	71	76.1 Å²	76.1	38%	0.38	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-87.8	19.6	-177.2	-46.1	-24.2	0	0	0	113.2	A752 S753 I757	A752-D755 WeakPolarHBondContact O-CA 3.42Å; A752-D755 WeakPolarHBondContact O-CB 3.41Å; A752-D755 PolarHBondContact O-N 3.37Å; S753-D755 PolarHBondContact O-N 3.44Å; D755-I757 CarbonylContact C-O 3.6Å; D755-I757 WeakPolarHBondContact CA-O 3.33Å; D755-I757 CarbonylContact O-C 3.55Å; D755-I757 VanDerWaalsContact O-C 3.23Å; D755-I757 PolarHBondContact O-N 3.27Å; D755-I757 VanDerWaalsContact O-N 3.14Å
756	K	44.9	Very low	58.7	Low	175 Å²	175	81.6 Å²	81.6	76%	0.761	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-65.5	-5.3	164.8	-74.8	-169.1	174.8	-176.8	0	112.8	C754	C754-K756 PolarHBondContact O-N 2.96Å
757	I	42.4	Very low	58.7	Low	129 Å²	129	77.9 Å²	77.9	66%	0.662	44%	0.444	S	S	*	.	S	Bend	trans	-120.1	137.2	143.7	-51.1	177.4	0	0	0	105.4	D755	D755-I757 CarbonylContact C-O 3.6Å; D755-I757 WeakPolarHBondContact CA-O 3.33Å; D755-I757 CarbonylContact O-C 3.55Å; D755-I757 VanDerWaalsContact O-C 3.23Å; D755-I757 PolarHBondContact O-N 3.27Å; D755-I757 VanDerWaalsContact O-N 3.14Å
758	L	41.4	Very low	58.8	Low	71 Å²	71	80.7 Å²	80.7	37%	0.372	46%	0.458	S	S	.	.			trans	99	44.2	177.7	-48.3	-176.7	0	0	0	119.5	I760 S762	L758-I760 PolarHBondContact O-N 3.32Å; L758-S762 WeakPolarHBondContact CD1-OG 3.38Å; L758-S762 VanDerWaalsContact CD2-CB 3.49Å; L758-S762 WeakPolarHBondContact CD2-OG 3.33Å
759	V	41.6	Very low	59.2	Low	137 Å²	137	79.1 Å²	79.1	83%	0.83	46%	0.457	S	S	*	.	S	Bend	trans	-64.9	-1.3	162.7	174.1	0	0	0	0	113.8
760	I	41.8	Very low	60.2	Low	85 Å²	85	78.3 Å²	78.3	44%	0.436	45%	0.452	S	S	.	.	S	Bend	trans	-139.9	133.9	165.7	-55	90	0	0	0	106	L758 S762 R899	L758-I760 PolarHBondContact O-N 3.32Å; I760-S762 PolarHBondContact O-N 2.86Å; I760-S762 VanDerWaalsContact O-N 3.14Å; I760-R899 VanDerWaalsContact CG2-NH2 3.32Å; I760-R899 PolarHBondContact O-NH2 2.83Å
761	P	47.8	Very low	61.5	Low	97 Å²	97	79.9 Å²	79.9	63%	0.63	45%	0.45	S	S	*	.			trans	-49.8	124	177.9	19.3	-32.8	0	0	0	111	R899	P761-R899 PolarHBondContact O-NH2 3.03Å; P761-R899 VanDerWaalsContact O-NH2 3.14Å
762	S	58.7	Low	62.9	Low	23 Å²	23	79.8 Å²	79.8	16%	0.161	45%	0.446	C	S	.	.			trans	-75.9	121.2	164.7	50.3	0	0	0	0	107.7	L758 I760 V764	L758-S762 WeakPolarHBondContact CD1-OG 3.38Å; L758-S762 VanDerWaalsContact CD2-CB 3.49Å; L758-S762 WeakPolarHBondContact CD2-OG 3.33Å; I760-S762 PolarHBondContact O-N 2.86Å; I760-S762 VanDerWaalsContact O-N 3.14Å; S762-V764 WeakPolarHBondContact O-CB 3.31Å; S762-V764 WeakPolarHBondContact O-CG1 3.42Å; S762-V764 PolarHBondContact O-N 3.17Å
763	K	71.8	Confident	64.3	Low	36 Å²	36	80 Å²	80	16%	0.157	44%	0.438	C	S	.	.			trans	-63.4	103.8	170.6	-44.9	-175	-173.7	174.7	0	107.3	E797 I806 F856 D857 M895	K763-E797 IonicContact NZ-OE1 2.8Å; K763-E797 PolarHBondContact NZ-OE1 3.25Å; K763-E797 IonicContact NZ-OE2 2.74Å; K763-E797 PolarHBondContact NZ-OE2 3.47Å; K763-I806 HydrophobicContact CD-CD1 3.91Å; K763-F856 HydrophobicContact CB-CE1 3.84Å; K763-F856 HydrophobicContact CB-CE2 3.98Å; K763-F856 HydrophobicContact CB-CZ 3.4Å; K763-F856 HydrophobicContact CD-CE1 4.44Å; K763-F856 HydrophobicContact CD-CZ 4.5Å; K763-F856 WeakPolarHBondContact O-CE2 3.37Å; K763-D857 HydrophobicContact CB-CB 4.04Å; K763-D857 HydrophobicContact CG-CB 4.37Å; K763-M895 HydrophobicContact CB-CE 3.75Å; K763-M895 HydrophobicContact CD-CE 4.27Å; K763-M895 HydrophobicContact CG-CE 4.26Å
764	V	83.3	Confident	65.6	Low	74 Å²	74	88.8 Å²	88.8	45%	0.448	46%	0.464	S	S	.	.			trans	-131.2	151.9	-165.4	69.2	0	0	0	0	110	S762 Q766 F856 D857	S762-V764 WeakPolarHBondContact O-CB 3.31Å; S762-V764 WeakPolarHBondContact O-CG1 3.42Å; S762-V764 PolarHBondContact O-N 3.17Å; V764-Q766 HydrophobicContact CG1-CG 4.24Å; V764-F856 WeakPolarHBondContact O-CA 3.48Å; V764-D857 PolarHBondContact O-N 3.48Å
765	W	85.9	Confident	67.2	Low	34 Å²	34	95.8 Å²	95.8	13%	0.129	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.9	177.4	-64.5	97.7	0	0	0	110.7	M791 A809 K813 L851 W855 F856 V861	W765-M791 HydrophobicContact CH2-CE 3.97Å; W765-M791 HydrophobicContact CH2-SD 3.88Å; W765-M791 HydrophobicContact CZ2-CE 3.93Å; W765-M791 HydrophobicContact CZ2-SD 4.45Å; W765-A809 PolarHBondContact NE1-O 3.14Å; W765-K813 HydrophobicContact CB-CD 4.49Å; W765-K813 HydrophobicContact CD2-CB 4.17Å; W765-K813 HydrophobicContact CD2-CD 3.76Å; W765-K813 HydrophobicContact CD2-CG 3.88Å; W765-K813 HydrophobicContact CE3-CD 4.07Å; W765-K813 HydrophobicContact CE3-CG 4.18Å; W765-K813 HydrophobicContact CG-CD 3.94Å; W765-K813 HydrophobicContact CG-CG 4.44Å; W765-K813 HydrophobicContact CH2-CB 4.49Å; W765-K813 HydrophobicContact CH2-CG 4.12Å; W765-K813 HydrophobicContact CZ2-CB 3.72Å; W765-K813 HydrophobicContact CZ2-CG 3.81Å; W765-K813 HydrophobicContact CZ3-CG 4.29Å; W765-L851 HydrophobicContact CH2-CD2 3.53Å; W765-L851 HydrophobicContact CZ2-CD2 3.92Å; W765-L851 HydrophobicContact CZ3-CD2 4.37Å; W765-W855 CarbonylContact C-O 3.5Å; W765-W855 WeakPolarHBondContact CA-O 3.3Å; W765-F856 HydrophobicContact CD2-CB 4.23Å; W765-F856 AromaticContact CD2-CD2 3.65Å; W765-F856 HydrophobicContact CD2-CD2 3.65Å; W765-F856 HydrophobicContact CD2-CE2 4.49Å; W765-F856 HydrophobicContact CD2-CG 4.34Å; W765-F856 AromaticContact CE2-CD2 3.53Å; W765-F856 HydrophobicContact CE3-CB 3.79Å; W765-F856 HydrophobicContact CE3-CD2 4.11Å; W765-F856 HydrophobicContact CE3-CG 4.36Å; W765-F856 HydrophobicContact CG-CD2 4.02Å; W765-F856 HydrophobicContact CH2-CB 4.14Å; W765-F856 HydrophobicContact CH2-CD2 4.36Å; W765-F856 HydrophobicContact CH2-CG 4.34Å; W765-F856 AromaticContact CZ2-CD2 3.93Å; W765-F856 HydrophobicContact CZ2-CD2 3.93Å; W765-F856 HydrophobicContact CZ2-CE2 4.41Å; W765-F856 HydrophobicContact CZ2-CG 4.32Å; W765-F856 HydrophobicContact CZ3-CB 3.74Å; W765-F856 HydrophobicContact CZ3-CD2 4.44Å; W765-F856 HydrophobicContact CZ3-CG 4.36Å; W765-F856 AromaticContact NE1-CD2 3.78Å; W765-F856 AromaticContact NE1-CE2 3.88Å; W765-V861 HydrophobicContact CH2-CG2 4.26Å; W765-V861 HydrophobicContact CZ3-CB 4.47Å; W765-V861 HydrophobicContact CZ3-CG2 3.95Å
766	Q	87.4	Confident	69	Low	116 Å²	116	94.9 Å²	94.9	54%	0.542	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	21.2	-170.6	-59.4	170.4	-77.5	0	0	113	V764 W855	V764-Q766 HydrophobicContact CG1-CG 4.24Å; Q766-W855 HydrophobicContact CB-CB 3.9Å; Q766-W855 PolarHBondContact N-O 2.94Å
767	G	85.3	Confident	70.6	Confident	37 Å²	37	87.6 Å²	87.6	38%	0.381	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-160.8	-174.7	0	0	0	0	0	113.3	S854 W855	G767-S854 WeakPolarHBondContact O-CA 3.46Å; G767-W855 PolarHBondContact O-N 3.05Å
768	Q	87.1	Confident	72.4	Confident	82 Å²	82	84.1 Å²	84.1	38%	0.383	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.8	-172.7	-162.8	177.3	-54.9	0	0	110.7	F770 G853	Q768-F770 PolarHBondContact NE2-O 3.4Å; Q768-F770 PolarHBondContact O-N 2.8Å; Q768-G853 CarbonylContact C-O 3.57Å; Q768-G853 WeakPolarHBondContact CA-O 3.39Å; Q768-G853 WeakPolarHBondContact CG-O 2.77Å
769	A	85.3	Confident	73.8	Confident	48 Å²	48	85.9 Å²	85.9	40%	0.397	44%	0.444	S	S	.	.	S	Bend	trans	-72.2	-26.7	-171.3	0	0	0	0	0	114.3	G853 L860	A769-G853 WeakPolarHBondContact CB-O 2.87Å; A769-G853 PolarHBondContact N-O 2.83Å; A769-L860 HydrophobicContact CB-CD1 3.71Å
770	F	86.7	Confident	75.5	Confident	75 Å²	75	85 Å²	85	33%	0.329	44%	0.435	S	S	.	.	S	Bend	trans	-157.8	156	-178.3	45.6	-103.5	0	0	0	110.6	Q768 L772 N776	Q768-F770 PolarHBondContact NE2-O 3.4Å; Q768-F770 PolarHBondContact O-N 2.8Å; F770-L772 HydrophobicContact CE2-CD2 4.4Å; F770-N776 HydrophobicContact CD2-CB 4.3Å; F770-N776 VanDerWaalsContact CD2-ND2 3.27Å; F770-N776 WeakPolarHBondContact CD2-ND2 3.43Å; F770-N776 HydrophobicContact CE2-CB 3.93Å; F770-N776 HydrophobicContact CZ-CB 4.49Å
771	H	81.3	Confident	77.5	Confident	142 Å²	142	82.5 Å²	82.5	66%	0.657	43%	0.425	S	S	*	.			trans	-67.6	147.8	169.7	-169.5	-96.7	0	0	0	110.8	D773 N776	H771-D773 IonicContact CE1-OD1 2.75Å; H771-D773 IonicContact CG-OD1 3.67Å; H771-D773 IonicContact ND1-OD1 3.35Å; H771-D773 PolarHBondContact ND1-OD1 2.85Å; H771-D773 PolarHBondContact O-N 3.45Å; H771-N776 PolarHBondContact O-ND2 3.16Å
772	L	79.1	Confident	79	Confident	31 Å²	31	84.1 Å²	84.1	16%	0.162	43%	0.428	C	S	.	.			trans	-87.5	97.2	-175.3	-77.8	162.3	0	0	0	110.8	F770 N776 F848 K849 H852	F770-L772 HydrophobicContact CE2-CD2 4.4Å; L772-N776 WeakPolarHBondContact CA-OD1 3.29Å; L772-F848 HydrophobicContact CD2-CE1 4.43Å; L772-K849 HydrophobicContact CD1-CB 4.09Å; L772-K849 HydrophobicContact CD1-CG 4.23Å; L772-K849 WeakPolarHBondContact CD1-O 3.31Å; L772-H852 HydrophobicContact CD2-CB 4.17Å
773	D	77.6	Confident	80.7	Confident	77 Å²	77	84.2 Å²	84.2	41%	0.412	43%	0.427	S	S	.	.			trans	-114.3	165.5	-174.2	-64.2	-23.4	0	0	0	110.8	H771 R775 N776 S777	H771-D773 IonicContact CE1-OD1 2.75Å; H771-D773 IonicContact CG-OD1 3.67Å; H771-D773 IonicContact ND1-OD1 3.35Å; H771-D773 PolarHBondContact ND1-OD1 2.85Å; H771-D773 PolarHBondContact O-N 3.45Å; D773-R775 PolarHBondContact O-N 2.88Å; D773-N776 PolarHBondContact N-OD1 2.97Å; D773-N776 PolarHBondContact O-N 3.07Å; D773-N776 PolarHBondContact O-OD1 3.25Å; D773-S777 PolarHBondContact O-N 3.4Å; D773-S777 PolarHBondContact O-OG 3.47Å
774	R	70.3	Confident	81.7	Confident	226 Å²	226	83.5 Å²	83.5	85%	0.853	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-15.1	173.9	-172.5	175.4	176.3	-174.6	-0.3	114.2
775	R	73.6	Confident	82.3	Confident	245 Å²	245	80 Å²	80	93%	0.925	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-28.5	174.8	-69.6	-178.9	175	175.5	-1.7	113.9	D773	D773-R775 PolarHBondContact O-N 2.88Å
776	N	76.3	Confident	82.8	Confident	52 Å²	52	78.4 Å²	78.4	28%	0.278	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-11.1	-172.3	59.4	40.9	0	0	0	113.9	F770 H771 L772 D773 H852	F770-N776 HydrophobicContact CD2-CB 4.3Å; F770-N776 VanDerWaalsContact CD2-ND2 3.27Å; F770-N776 WeakPolarHBondContact CD2-ND2 3.43Å; F770-N776 HydrophobicContact CE2-CB 3.93Å; F770-N776 HydrophobicContact CZ-CB 4.49Å; H771-N776 PolarHBondContact O-ND2 3.16Å; L772-N776 WeakPolarHBondContact CA-OD1 3.29Å; D773-N776 PolarHBondContact N-OD1 2.97Å; D773-N776 PolarHBondContact O-N 3.07Å; D773-N776 PolarHBondContact O-OD1 3.25Å; N776-H852 PolarHBondContact O-NE2 3.35Å; N776-H852 VanDerWaalsContact O-NE2 3.15Å
777	S	78.5	Confident	83.2	Confident	23 Å²	23	74.9 Å²	74.9	16%	0.161	38%	0.382	C	S	.	.	S	Bend	trans	-128.1	146.7	-179.6	60.8	0	0	0	0	112.5	D773	D773-S777 PolarHBondContact O-N 3.4Å; D773-S777 PolarHBondContact O-OG 3.47Å
778	P	80	Confident	83.7	Confident	56 Å²	56	73.1 Å²	73.1	36%	0.364	36%	0.364	S	S	.	.			trans	-62	137.7	169	-20.8	33.6	0	0	0	110.4	N780 F848 Y865	P778-N780 VanDerWaalsContact C-N 3.33Å; P778-N780 PolarHBondContact O-N 2.95Å; P778-F848 HydrophobicContact CG-CZ 4.42Å; P778-Y865 HydrophobicContact CB-CE2 4.31Å; P778-Y865 HydrophobicContact CG-CD2 4.13Å; P778-Y865 HydrophobicContact CG-CE2 4.05Å
779	P	71.1	Confident	84.1	Confident	107 Å²	107	73.7 Å²	73.7	70%	0.695	36%	0.363	S	S	*	.	S	Bend	trans	-66.3	-33.1	-171.7	25.2	-34.4	0	0	0	113.5
780	N	77.1	Confident	84.4	Confident	118 Å²	118	74.3 Å²	74.3	63%	0.631	36%	0.359	S	S	*	.	S	Bend	trans	-126.2	150.7	178.2	-70.7	-20	0	0	0	110.5	P778 L782	P778-N780 VanDerWaalsContact C-N 3.33Å; P778-N780 PolarHBondContact O-N 2.95Å; N780-L782 PolarHBondContact O-N 2.56Å
781	S	82.4	Confident	84.6	Confident	33 Å²	33	70.8 Å²	70.8	23%	0.231	34%	0.344	C	S	.	.			trans	-76.2	101	173.9	45.2	0	0	0	0	111.3	P841 Y865	S781-P841 WeakPolarHBondContact CB-O 3.37Å; S781-P841 WeakPolarHBondContact O-CB 3.45Å; S781-P841 PolarHBondContact OG-O 3.29Å; S781-Y865 WeakPolarHBondContact CB-OH 3.39Å
782	L	81.1	Confident	85.1	Confident	131 Å²	131	64.1 Å²	64.1	69%	0.686	31%	0.313	S	S	*	.			trans	-78.4	-21.1	-170.8	-60.1	179.5	0	0	0	114.8	N780	N780-L782 PolarHBondContact O-N 2.56Å
783	T	93.2	Very high	85.5	Confident	25 Å²	25	65.3 Å²	65.3	15%	0.153	32%	0.32	C	S	.	.			trans	-149.7	157.1	-177.2	67.6	0	0	0	0	111.6	C785 A844 Y865 L866	T783-C785 PolarHBondContact O-N 3.24Å; T783-C785 PolarHBondContact OG1-O 2.76Å; T783-A844 WeakPolarHBondContact O-CB 3.42Å; T783-Y865 WeakPolarHBondContact O-CD1 3.47Å; T783-L866 WeakPolarHBondContact CB-O 3.43Å; T783-L866 PolarHBondContact OG1-N 3.11Å; T783-L866 PolarHBondContact OG1-O 3.21Å
784	P	94.1	Very high	85.9	Confident	22 Å²	22	63.2 Å²	63.2	14%	0.143	31%	0.31	C	S	.	.	S	Bend	trans	-78.9	3.6	176.8	33.6	-37.1	0	0	0	114.2	C838 L868	P784-C838 WeakPolarHBondContact O-CB 3.48Å; P784-C838 PolarHBondContact O-N 3.22Å; P784-L868 HydrophobicContact CG-CB 4.49Å; P784-L868 HydrophobicContact CG-CD1 4.28Å; P784-L868 HydrophobicContact CG-CD2 4.37Å
785	C	95.1	Very high	86.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.1	-175	-68.4	0	0	0	0	112.2	T783 V836 L866 L868 Y871	T783-C785 PolarHBondContact O-N 3.24Å; T783-C785 PolarHBondContact OG1-O 2.76Å; C785-V836 CarbonylContact C-O 3.57Å; C785-V836 VanDerWaalsContact CA-O 3.3Å; C785-V836 WeakPolarHBondContact CA-O 3.04Å; C785-L866 HydrophobicContact CB-CB 4.25Å; C785-L866 WeakPolarHBondContact CB-O 3.45Å; C785-L866 PolarHBondContact O-N 2.99Å; C785-L868 VanDerWaalsContact SG-CD1 3.57Å; C785-Y871 HydrophobicContact CB-CD2 3.73Å; C785-Y871 HydrophobicContact CB-CE2 4.47Å; C785-Y871 HydrophobicContact CB-CG 4.26Å
786	L	95.9	Very high	86.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.3	-177.6	-55.3	176.6	0	0	0	111	Y835 V836 A844 A847 F848 V863 Y865	L786-Y835 CarbonylContact O-C 3.6Å; L786-Y835 WeakPolarHBondContact O-CA 3.48Å; L786-V836 HydrophobicContact CB-CB 4.4Å; L786-V836 PolarHBondContact N-O 2.84Å; L786-V836 PolarHBondContact O-N 3.37Å; L786-A844 HydrophobicContact CD2-CB 4.24Å; L786-A844 HydrophobicContact CG-CB 4.29Å; L786-A847 HydrophobicContact CD1-CB 3.84Å; L786-F848 HydrophobicContact CD1-CB 4.5Å; L786-F848 HydrophobicContact CD2-CB 4.35Å; L786-F848 HydrophobicContact CD2-CD2 4.27Å; L786-V863 HydrophobicContact CB-CG1 3.96Å; L786-V863 HydrophobicContact CD1-CG1 4.12Å; L786-V863 HydrophobicContact CD2-CG1 4.01Å; L786-V863 HydrophobicContact CG-CG1 4.26Å; L786-Y865 HydrophobicContact CD2-CD1 3.66Å; L786-Y865 HydrophobicContact CD2-CE1 3.62Å; L786-Y865 HydrophobicContact CD2-CG 4.33Å
787	K	95.6	Very high	87.1	Confident	43 Å²	43	52.8 Å²	52.8	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.8	157.2	178.1	179.2	175.6	174	0	108.1	E831 C833 Y835 V863 K864	K787-E831 IonicContact NZ-OE2 3.16Å; K787-E831 PolarHBondContact NZ-OE2 3.31Å; K787-C833 WeakPolarHBondContact CE-SG 3.3Å; K787-C833 PolarHBondContact NZ-SG 3.07Å; K787-Y835 HydrophobicContact CB-CD1 4.05Å; K787-Y835 HydrophobicContact CB-CE1 3.94Å; K787-Y835 HydrophobicContact CD-CE1 3.79Å; K787-Y835 HydrophobicContact CG-CD1 4.15Å; K787-Y835 HydrophobicContact CG-CE1 3.7Å; K787-V863 CarbonylContact O-C 3.39Å; K787-V863 WeakPolarHBondContact O-CA 3.4Å; K787-K864 PolarHBondContact N-O 3.16Å; K787-K864 PolarHBondContact O-N 2.89Å
788	I	96.5	Very high	87.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.5	169.5	-47.7	164.4	0	0	0	107.7	M791 I810 C833 V834 V836 L851 V861 T862 V863	I788-M791 HydrophobicContact CB-CG 4.35Å; I788-M791 HydrophobicContact CG2-CG 3.51Å; I788-M791 HydrophobicContact CG2-SD 3.89Å; I788-I810 HydrophobicContact CD1-CD1 3.73Å; I788-I810 HydrophobicContact CD1-CG1 4.27Å; I788-I810 HydrophobicContact CD1-CG2 4.41Å; I788-C833 WeakPolarHBondContact O-CA 3.35Å; I788-V834 HydrophobicContact CB-CB 4.33Å; I788-V834 HydrophobicContact CD1-CB 4.37Å; I788-V834 PolarHBondContact N-O 2.8Å; I788-V834 PolarHBondContact O-N 3.04Å; I788-V836 HydrophobicContact CD1-CG2 3.62Å; I788-V836 HydrophobicContact CG1-CG2 4.49Å; I788-L851 HydrophobicContact CD1-CD1 3.75Å; I788-L851 HydrophobicContact CG1-CD1 4.38Å; I788-V861 HydrophobicContact CG2-CG1 3.39Å; I788-T862 CarbonylContact C-O 3.58Å; I788-T862 WeakPolarHBondContact CA-O 3.49Å; I788-V863 HydrophobicContact CG1-CG1 4.43Å; I788-V863 HydrophobicContact CG1-CG2 4.35Å; I788-V863 HydrophobicContact CG2-CG2 4.31Å
789	R	95.2	Very high	86.9	Confident	93 Å²	93	59.1 Å²	59.1	35%	0.351	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.5	176.3	-63.1	166.9	64.1	96	5.5	110.3	M791 E831 G832 T862	R789-M791 VanDerWaalsContact C-N 3.31Å; R789-M791 PolarHBondContact O-N 2.85Å; R789-E831 VanDerWaalsContact CZ-CD 3.47Å; R789-E831 IonicContact CZ-OE1 3.7Å; R789-E831 IonicContact CZ-OE2 3.36Å; R789-E831 IonicContact NH1-OE1 2.8Å; R789-E831 PolarHBondContact NH1-OE1 2.76Å; R789-E831 IonicContact NH1-OE2 3.27Å; R789-E831 PolarHBondContact NH1-OE2 2.94Å; R789-E831 VanDerWaalsContact NH2-CD 3.33Å; R789-E831 IonicContact NH2-OE1 3.75Å; R789-E831 PolarHBondContact NH2-OE1 2.69Å; R789-E831 IonicContact NH2-OE2 2.67Å; R789-G832 CarbonylContact C-O 3.15Å; R789-T862 PolarHBondContact N-O 3.48Å; R789-T862 PolarHBondContact O-N 2.81Å
790	N	92.7	Very high	87.2	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	33%	0.327	S	S	.	.	S	Bend	trans	66	26.1	172.7	-151.3	25.2	0	0	0	114.6	E831 G832 K859 L860	N790-E831 PolarHBondContact N-O 3.04Å; N790-G832 PolarHBondContact N-O 3.33Å; N790-G832 VanDerWaalsContact N-O 3.16Å; N790-K859 WeakPolarHBondContact O-CB 3.44Å; N790-L860 WeakPolarHBondContact CB-O 3.48Å; N790-L860 PolarHBondContact ND2-O 2.99Å
791	M	90.9	Very high	87.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-79.7	-19.7	179	-75.6	-64	-52.1	0	0	114.1	W765 I788 R789 I806 I810 G832 V834 F856 V861	W765-M791 HydrophobicContact CH2-CE 3.97Å; W765-M791 HydrophobicContact CH2-SD 3.88Å; W765-M791 HydrophobicContact CZ2-CE 3.93Å; W765-M791 HydrophobicContact CZ2-SD 4.45Å; I788-M791 HydrophobicContact CB-CG 4.35Å; I788-M791 HydrophobicContact CG2-CG 3.51Å; I788-M791 HydrophobicContact CG2-SD 3.89Å; R789-M791 VanDerWaalsContact C-N 3.31Å; R789-M791 PolarHBondContact O-N 2.85Å; M791-I806 HydrophobicContact CB-CG2 4.13Å; M791-I806 HydrophobicContact CE-CG2 4.3Å; M791-I810 HydrophobicContact CE-CD1 4.18Å; M791-I810 HydrophobicContact CE-CG1 3.87Å; M791-G832 PolarHBondContact N-O 3.47Å; M791-G832 VanDerWaalsContact N-O 3.08Å; M791-V834 HydrophobicContact CB-CG2 3.93Å; M791-V834 HydrophobicContact CG-CG2 3.96Å; M791-F856 HydrophobicContact CE-CD1 3.64Å; M791-F856 HydrophobicContact CE-CE1 3.69Å; M791-F856 HydrophobicContact CE-CG 4.09Å; M791-F856 HydrophobicContact CE-CZ 4.18Å; M791-F856 WeakPolarHBondContact O-CD1 3.34Å; M791-F856 VanDerWaalsContact O-CE1 3.3Å; M791-F856 WeakPolarHBondContact O-CE1 3.37Å; M791-F856 HydrophobicContact SD-CD1 4.38Å; M791-V861 HydrophobicContact CG-CG1 4.48Å; M791-V861 HydrophobicContact SD-CB 4.4Å; M791-V861 HydrophobicContact SD-CG1 3.72Å; M791-V861 HydrophobicContact SD-CG2 3.69Å
792	F	90.7	Very high	87.5	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.013	32%	0.318	C	S	.	.			trans	-161.1	174.7	-177.1	60.1	-85.3	0	0	0	109.2	P794 E797 W802 I806 V825 D826 G832 C833 V834	F792-P794 HydrophobicContact CD2-CB 4.49Å; F792-P794 HydrophobicContact CE2-CB 4.24Å; F792-E797 WeakPolarHBondContact CB-OE1 3.17Å; F792-E797 HydrophobicContact CD2-CG 4.46Å; F792-W802 HydrophobicContact CB-CZ3 4.46Å; F792-W802 HydrophobicContact CD1-CZ3 4.22Å; F792-W802 AromaticContact CD2-CH2 3.69Å; F792-W802 HydrophobicContact CD2-CH2 3.69Å; F792-W802 AromaticContact CD2-CZ3 3.66Å; F792-W802 HydrophobicContact CD2-CZ3 3.66Å; F792-W802 HydrophobicContact CE1-CZ3 4.4Å; F792-W802 AromaticContact CE2-CH2 3.53Å; F792-W802 HydrophobicContact CE2-CH2 3.53Å; F792-W802 AromaticContact CE2-CZ3 3.87Å; F792-W802 HydrophobicContact CE2-CZ3 3.87Å; F792-W802 HydrophobicContact CG-CH2 4.35Å; F792-W802 AromaticContact CG-CZ3 3.86Å; F792-W802 HydrophobicContact CG-CZ3 3.86Å; F792-W802 HydrophobicContact CZ-CH2 4.07Å; F792-W802 HydrophobicContact CZ-CZ3 4.24Å; F792-I806 HydrophobicContact CB-CD1 4.12Å; F792-I806 HydrophobicContact CB-CG1 4.37Å; F792-I806 HydrophobicContact CD1-CG1 4.42Å; F792-I806 HydrophobicContact CD1-CG2 4.14Å; F792-V825 HydrophobicContact CD1-CG1 4.35Å; F792-V825 HydrophobicContact CE1-CG1 3.63Å; F792-V825 HydrophobicContact CZ-CG1 3.82Å; F792-D826 WeakPolarHBondContact CZ-O 3.37Å; F792-G832 VanDerWaalsContact O-CA 3.22Å; F792-G832 WeakPolarHBondContact O-CA 3.47Å; F792-C833 WeakPolarHBondContact CE1-O 3.44Å; F792-V834 HydrophobicContact CD1-CG2 4.32Å; F792-V834 HydrophobicContact CE1-CG2 3.87Å
793	D	88	Confident	87.7	Confident	56 Å²	56	55.7 Å²	55.7	30%	0.299	30%	0.296	S	S	.	.			trans	-128	113.8	167.2	176.3	-8.7	0	0	0	108.5	V795 M796 E797	D793-V795 PolarHBondContact O-N 3.32Å; D793-V795 WeakPolarHBondContact OD1-CB 3.49Å; D793-V795 PolarHBondContact OD1-N 2.66Å; D793-M796 HydrophobicContact CB-CB 4.27Å; D793-M796 HydrophobicContact CB-CG 4.08Å; D793-M796 PolarHBondContact O-N 3.19Å; D793-E797 WeakPolarHBondContact O-CG 3.45Å; D793-E797 PolarHBondContact O-N 3.44Å
794	P	86.6	Confident	87.5	Confident	33 Å²	33	58.1 Å²	58.1	21%	0.214	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.8	-174.2	30.1	-38	0	0	0	114.4	F792 K827 S829	F792-P794 HydrophobicContact CD2-CB 4.49Å; F792-P794 HydrophobicContact CE2-CB 4.24Å; P794-K827 VanDerWaalsContact CB-O 3.31Å; P794-K827 WeakPolarHBondContact CB-O 3.46Å; P794-S829 WeakPolarHBondContact CG-O 3.45Å
795	V	84.3	Confident	87.1	Confident	126 Å²	126	57.7 Å²	57.7	76%	0.764	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-23.6	173.3	-172.8	0	0	0	0	111.5	D793	D793-V795 PolarHBondContact O-N 3.32Å; D793-V795 WeakPolarHBondContact OD1-CB 3.49Å; D793-V795 PolarHBondContact OD1-N 2.66Å
796	M	79.8	Confident	86.8	Confident	143 Å²	143	57.7 Å²	57.7	70%	0.704	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.2	-179	-65.5	-78.2	-73	0	0	113.3	D793	D793-M796 HydrophobicContact CB-CB 4.27Å; D793-M796 HydrophobicContact CB-CG 4.08Å; D793-M796 PolarHBondContact O-N 3.19Å
797	E	81.1	Confident	86.6	Confident	35 Å²	35	59.9 Å²	59.9	16%	0.164	32%	0.316	C	S	.	.			trans	-86.5	133.9	-178.3	-58	-62.1	164.8	0	0	112	K763 F792 D793 W802	K763-E797 IonicContact NZ-OE1 2.8Å; K763-E797 PolarHBondContact NZ-OE1 3.25Å; K763-E797 IonicContact NZ-OE2 2.74Å; K763-E797 PolarHBondContact NZ-OE2 3.47Å; F792-E797 WeakPolarHBondContact CB-OE1 3.17Å; F792-E797 HydrophobicContact CD2-CG 4.46Å; D793-E797 WeakPolarHBondContact O-CG 3.45Å; D793-E797 PolarHBondContact O-N 3.44Å; E797-W802 HydrophobicContact CB-CD2 3.66Å; E797-W802 HydrophobicContact CB-CE3 4.3Å; E797-W802 HydrophobicContact CB-CG 3.79Å; E797-W802 HydrophobicContact CB-CZ2 4.11Å; E797-W802 HydrophobicContact CG-CD2 3.66Å; E797-W802 HydrophobicContact CG-CE3 3.75Å; E797-W802 HydrophobicContact CG-CG 4.14Å; E797-W802 HydrophobicContact CG-CH2 4.25Å; E797-W802 HydrophobicContact CG-CZ2 4.15Å; E797-W802 HydrophobicContact CG-CZ3 4.07Å
798	I	77.1	Confident	86.2	Confident	159 Å²	159	59.2 Å²	59.2	82%	0.815	31%	0.314	S	S	*	.			trans	-121	137.1	-176.7	-59.3	173.3	0	0	0	110.2
799	G	76	Confident	85.9	Confident	53 Å²	53	59.2 Å²	59.2	55%	0.546	31%	0.314	S	S	.	.	S	Bend	trans	78.5	-175.1	-177.1	0	0	0	0	0	113.5	W802	G799-W802 PolarHBondContact O-NE1 3.44Å; G799-W802 VanDerWaalsContact O-NE1 3.16Å
800	D	77.7	Confident	85.7	Confident	119 Å²	119	54.8 Å²	54.8	64%	0.636	30%	0.297	S	S	*	.	S	Bend	trans	-97.1	-21.5	-171.4	-97.3	-58.2	0	0	0	115.7	H803 K827	D800-H803 PolarHBondContact O-CE1 3.48Å; D800-H803 VanDerWaalsContact O-CE1 3.24Å; D800-H803 PolarHBondContact O-ND1 3.39Å; D800-K827 PolarHBondContact O-NZ 2.85Å; D800-K827 IonicContact OD1-NZ 3.58Å; D800-K827 PolarHBondContact OD1-NZ 2.81Å
801	Q	81.4	Confident	85.6	Confident	116 Å²	116	52.5 Å²	52.5	54%	0.542	28%	0.284	S	S	.	.	S	Bend	trans	-93.2	-9.9	-166.5	-65.9	-179.9	-5.6	0	0	114.8	H803 L804	Q801-H803 PolarHBondContact O-N 3.01Å; Q801-L804 WeakPolarHBondContact O-CB 3.4Å; Q801-L804 PolarHBondContact O-N 3.23Å
802	W	84.6	Confident	85.5	Confident	34 Å²	34	53 Å²	53	13%	0.129	29%	0.287	C	S	.	.	H	α-helix	trans	-56	-26.7	-177.9	60.9	-100.4	0	0	0	114	F792 E797 G799 L804 A805 I806 V825 K827	F792-W802 HydrophobicContact CB-CZ3 4.46Å; F792-W802 HydrophobicContact CD1-CZ3 4.22Å; F792-W802 AromaticContact CD2-CH2 3.69Å; F792-W802 HydrophobicContact CD2-CH2 3.69Å; F792-W802 AromaticContact CD2-CZ3 3.66Å; F792-W802 HydrophobicContact CD2-CZ3 3.66Å; F792-W802 HydrophobicContact CE1-CZ3 4.4Å; F792-W802 AromaticContact CE2-CH2 3.53Å; F792-W802 HydrophobicContact CE2-CH2 3.53Å; F792-W802 AromaticContact CE2-CZ3 3.87Å; F792-W802 HydrophobicContact CE2-CZ3 3.87Å; F792-W802 HydrophobicContact CG-CH2 4.35Å; F792-W802 AromaticContact CG-CZ3 3.86Å; F792-W802 HydrophobicContact CG-CZ3 3.86Å; F792-W802 HydrophobicContact CZ-CH2 4.07Å; F792-W802 HydrophobicContact CZ-CZ3 4.24Å; E797-W802 HydrophobicContact CB-CD2 3.66Å; E797-W802 HydrophobicContact CB-CE3 4.3Å; E797-W802 HydrophobicContact CB-CG 3.79Å; E797-W802 HydrophobicContact CB-CZ2 4.11Å; E797-W802 HydrophobicContact CG-CD2 3.66Å; E797-W802 HydrophobicContact CG-CE3 3.75Å; E797-W802 HydrophobicContact CG-CG 4.14Å; E797-W802 HydrophobicContact CG-CH2 4.25Å; E797-W802 HydrophobicContact CG-CZ2 4.15Å; E797-W802 HydrophobicContact CG-CZ3 4.07Å; G799-W802 PolarHBondContact O-NE1 3.44Å; G799-W802 VanDerWaalsContact O-NE1 3.16Å; W802-L804 PolarHBondContact O-N 3.48Å; W802-A805 VanDerWaalsContact O-CB 3.23Å; W802-A805 WeakPolarHBondContact O-CB 3.39Å; W802-A805 PolarHBondContact O-N 3.24Å; W802-I806 HydrophobicContact CE3-CG1 3.99Å; W802-I806 HydrophobicContact CZ3-CG1 4.19Å; W802-I806 PolarHBondContact O-N 3.45Å; W802-V825 HydrophobicContact CH2-CG1 4Å; W802-V825 HydrophobicContact CZ3-CG1 3.72Å; W802-K827 HydrophobicContact CH2-CB 4.44Å; W802-K827 HydrophobicContact CH2-CG 4.05Å; W802-K827 HydrophobicContact CZ2-CB 4.18Å; W802-K827 HydrophobicContact CZ2-CD 4.4Å; W802-K827 HydrophobicContact CZ2-CG 3.75Å
803	H	86.4	Confident	85.4	Confident	48 Å²	48	55.1 Å²	55.1	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-29.8	179.4	71.3	-82.4	0	0	0	112.6	D800 Q801 A805 I806 Q807 V825	D800-H803 PolarHBondContact O-CE1 3.48Å; D800-H803 VanDerWaalsContact O-CE1 3.24Å; D800-H803 PolarHBondContact O-ND1 3.39Å; Q801-H803 PolarHBondContact O-N 3.01Å; H803-A805 VanDerWaalsContact C-N 3.33Å; H803-I806 PolarHBondContact O-N 3.18Å; H803-Q807 WeakPolarHBondContact O-CG 3.4Å; H803-Q807 PolarHBondContact O-N 2.98Å; H803-V825 HydrophobicContact CB-CB 4.05Å; H803-V825 HydrophobicContact CB-CG1 4.01Å; H803-V825 HydrophobicContact CB-CG2 4.38Å
804	L	88	Confident	85.5	Confident	75 Å²	75	52.5 Å²	52.5	39%	0.393	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-40.2	173.5	-59.2	177.2	0	0	0	110.8	Q801 W802 I806 Q807 E808	Q801-L804 WeakPolarHBondContact O-CB 3.4Å; Q801-L804 PolarHBondContact O-N 3.23Å; W802-L804 PolarHBondContact O-N 3.48Å; L804-I806 VanDerWaalsContact C-N 3.27Å; L804-I806 PolarHBondContact O-N 3.02Å; L804-Q807 WeakPolarHBondContact O-CB 3.45Å; L804-Q807 PolarHBondContact O-N 2.99Å; L804-E808 WeakPolarHBondContact O-CB 3.42Å; L804-E808 PolarHBondContact O-N 2.89Å
805	A	85.4	Confident	85.4	Confident	13 Å²	13	54.1 Å²	54.1	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-37	175.9	0	0	0	0	0	112	W802 H803 E808 A809 M895 L898	W802-A805 VanDerWaalsContact O-CB 3.23Å; W802-A805 WeakPolarHBondContact O-CB 3.39Å; W802-A805 PolarHBondContact O-N 3.24Å; H803-A805 VanDerWaalsContact C-N 3.33Å; A805-E808 PolarHBondContact O-N 3.37Å; A805-A809 WeakPolarHBondContact O-CB 3.33Å; A805-A809 PolarHBondContact O-N 3.24Å; A805-M895 HydrophobicContact CB-CE 3.76Å; A805-M895 HydrophobicContact CB-SD 3.81Å; A805-M895 WeakPolarHBondContact O-CE 3.4Å; A805-L898 HydrophobicContact CB-CD1 3.65Å
806	I	89.6	Confident	85.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-72.5	-36.2	177.1	-58	-58.1	0	0	0	111.8	K763 M791 F792 W802 H803 L804 I810 V825 V834 F856	K763-I806 HydrophobicContact CD-CD1 3.91Å; M791-I806 HydrophobicContact CB-CG2 4.13Å; M791-I806 HydrophobicContact CE-CG2 4.3Å; F792-I806 HydrophobicContact CB-CD1 4.12Å; F792-I806 HydrophobicContact CB-CG1 4.37Å; F792-I806 HydrophobicContact CD1-CG1 4.42Å; F792-I806 HydrophobicContact CD1-CG2 4.14Å; W802-I806 HydrophobicContact CE3-CG1 3.99Å; W802-I806 HydrophobicContact CZ3-CG1 4.19Å; W802-I806 PolarHBondContact O-N 3.45Å; H803-I806 PolarHBondContact O-N 3.18Å; L804-I806 VanDerWaalsContact C-N 3.27Å; L804-I806 PolarHBondContact O-N 3.02Å; I806-I810 HydrophobicContact CG2-CD1 4.48Å; I806-I810 WeakPolarHBondContact O-CD1 3Å; I806-I810 WeakPolarHBondContact O-CG1 3.2Å; I806-I810 PolarHBondContact O-N 2.96Å; I806-V825 HydrophobicContact CB-CG2 4.32Å; I806-V825 HydrophobicContact CG2-CG2 4.18Å; I806-V834 HydrophobicContact CG2-CG2 3.68Å; I806-F856 HydrophobicContact CD1-CE1 4.03Å; I806-F856 HydrophobicContact CD1-CZ 4.38Å
807	Q	90.6	Very high	85.8	Confident	46 Å²	46	45.6 Å²	45.6	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-46.7	170.8	-68.9	170.9	-15.3	0	0	110.8	H803 L804 A809 I810 L811 I823 V825	H803-Q807 WeakPolarHBondContact O-CG 3.4Å; H803-Q807 PolarHBondContact O-N 2.98Å; L804-Q807 WeakPolarHBondContact O-CB 3.45Å; L804-Q807 PolarHBondContact O-N 2.99Å; Q807-A809 PolarHBondContact O-N 3.45Å; Q807-I810 PolarHBondContact O-N 2.97Å; Q807-L811 PolarHBondContact O-N 3.33Å; Q807-L811 VanDerWaalsContact O-N 3.08Å; Q807-I823 HydrophobicContact CB-CG2 4.44Å; Q807-I823 HydrophobicContact CG-CB 4.18Å; Q807-I823 HydrophobicContact CG-CG2 3.83Å; Q807-I823 PolarHBondContact NE2-O 2.78Å; Q807-V825 HydrophobicContact CG-CG2 3.77Å
808	E	87.8	Confident	86.1	Confident	30 Å²	30	48.5 Å²	48.5	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44.8	-178.1	-149.3	69.7	173.8	0	0	112.1	L804 A805 I810 L811 E812 S888	L804-E808 WeakPolarHBondContact O-CB 3.42Å; L804-E808 PolarHBondContact O-N 2.89Å; A805-E808 PolarHBondContact O-N 3.37Å; E808-I810 PolarHBondContact O-N 3.04Å; E808-L811 CarbonylContact O-C 3.6Å; E808-L811 PolarHBondContact O-N 2.62Å; E808-E812 PolarHBondContact O-N 3.3Å; E808-S888 WeakPolarHBondContact OE1-CB 3.29Å; E808-S888 PolarHBondContact OE1-N 3.14Å; E808-S888 PolarHBondContact OE1-OG 2.95Å
809	A	89.3	Confident	86.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-30.6	176.7	0	0	0	0	0	113.4	W765 A805 Q807 K813 F856 M895	W765-A809 PolarHBondContact NE1-O 3.14Å; A805-A809 WeakPolarHBondContact O-CB 3.33Å; A805-A809 PolarHBondContact O-N 3.24Å; Q807-A809 PolarHBondContact O-N 3.45Å; A809-K813 VanDerWaalsContact O-CB 3.31Å; A809-K813 WeakPolarHBondContact O-CB 3.42Å; A809-K813 PolarHBondContact O-N 2.91Å; A809-F856 HydrophobicContact CB-CE2 3.59Å; A809-F856 HydrophobicContact CB-CZ 3.59Å; A809-M895 HydrophobicContact CB-CE 4.22Å; A809-M895 HydrophobicContact CB-SD 4.31Å
810	I	91.7	Very high	87.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.2	-40.4	174.5	-69	163.1	0	0	0	110.6	I788 M791 I806 Q807 E808 K813 C814 I823 V834 V836 L851	I788-I810 HydrophobicContact CD1-CD1 3.73Å; I788-I810 HydrophobicContact CD1-CG1 4.27Å; I788-I810 HydrophobicContact CD1-CG2 4.41Å; M791-I810 HydrophobicContact CE-CD1 4.18Å; M791-I810 HydrophobicContact CE-CG1 3.87Å; I806-I810 HydrophobicContact CG2-CD1 4.48Å; I806-I810 WeakPolarHBondContact O-CD1 3Å; I806-I810 WeakPolarHBondContact O-CG1 3.2Å; I806-I810 PolarHBondContact O-N 2.96Å; Q807-I810 PolarHBondContact O-N 2.97Å; E808-I810 PolarHBondContact O-N 3.04Å; I810-K813 PolarHBondContact O-N 3.23Å; I810-C814 WeakPolarHBondContact O-CB 3.32Å; I810-C814 PolarHBondContact O-N 2.97Å; I810-C814 PolarHBondContact O-SG 3.34Å; I810-I823 HydrophobicContact CB-CD1 4.39Å; I810-I823 HydrophobicContact CG2-CD1 4.04Å; I810-V834 HydrophobicContact CD1-CB 4.01Å; I810-V834 HydrophobicContact CD1-CG1 3.61Å; I810-V834 HydrophobicContact CD1-CG2 4.13Å; I810-V836 HydrophobicContact CG2-CG2 4.36Å; I810-L851 HydrophobicContact CG1-CD2 4.47Å; I810-L851 HydrophobicContact CG2-CD1 4.22Å; I810-L851 HydrophobicContact CG2-CD2 4.45Å
811	L	90.9	Very high	88.5	Confident	13 Å²	13	33 Å²	33	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-69.2	-34.8	176.9	-67.8	173.7	0	0	0	112.8	Q807 E808 C814 S815 I820 I823 L885 P887	Q807-L811 PolarHBondContact O-N 3.33Å; Q807-L811 VanDerWaalsContact O-N 3.08Å; E808-L811 CarbonylContact O-C 3.6Å; E808-L811 PolarHBondContact O-N 2.62Å; L811-C814 CarbonylContact O-C 3.59Å; L811-S815 VanDerWaalsContact O-CA 3.25Å; L811-S815 WeakPolarHBondContact O-CA 3.45Å; L811-S815 PolarHBondContact O-N 3.27Å; L811-I820 HydrophobicContact CD2-CG2 4.11Å; L811-I823 HydrophobicContact CD1-CD1 4.38Å; L811-I823 HydrophobicContact CD2-CD1 3.77Å; L811-I823 HydrophobicContact CG-CD1 3.79Å; L811-L885 HydrophobicContact CD1-CB 4.25Å; L811-L885 HydrophobicContact CD2-CB 3.84Å; L811-P887 HydrophobicContact CB-CB 3.94Å; L811-P887 HydrophobicContact CB-CG 4.42Å
812	E	88.3	Confident	89.1	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-45.1	171	-73.6	-175.4	153.6	0	0	111.1	E808 C814 S815 P887 M892 N893 S894	E808-E812 PolarHBondContact O-N 3.3Å; E812-C814 VanDerWaalsContact C-N 3.33Å; E812-C814 PolarHBondContact O-N 3.02Å; E812-S815 WeakPolarHBondContact O-CB 3.12Å; E812-S815 PolarHBondContact O-N 3.03Å; E812-S815 PolarHBondContact O-OG 3.46Å; E812-P887 HydrophobicContact CG-CB 4.05Å; E812-M892 HydrophobicContact CB-CE 4.16Å; E812-N893 PolarHBondContact OE1-N 3.06Å; E812-S894 WeakPolarHBondContact OE1-CB 3.2Å; E812-S894 PolarHBondContact OE1-N 3.24Å; E812-S894 PolarHBondContact OE1-OG 2.97Å
813	K	88.9	Confident	89.6	Confident	48 Å²	48	27 Å²	27	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-69.9	-27.8	180	-175	61.6	176.1	-171.6	0	113.7	W765 A809 I810 A850 L851 S854	W765-K813 HydrophobicContact CB-CD 4.49Å; W765-K813 HydrophobicContact CD2-CB 4.17Å; W765-K813 HydrophobicContact CD2-CD 3.76Å; W765-K813 HydrophobicContact CD2-CG 3.88Å; W765-K813 HydrophobicContact CE3-CD 4.07Å; W765-K813 HydrophobicContact CE3-CG 4.18Å; W765-K813 HydrophobicContact CG-CD 3.94Å; W765-K813 HydrophobicContact CG-CG 4.44Å; W765-K813 HydrophobicContact CH2-CB 4.49Å; W765-K813 HydrophobicContact CH2-CG 4.12Å; W765-K813 HydrophobicContact CZ2-CB 3.72Å; W765-K813 HydrophobicContact CZ2-CG 3.81Å; W765-K813 HydrophobicContact CZ3-CG 4.29Å; A809-K813 VanDerWaalsContact O-CB 3.31Å; A809-K813 WeakPolarHBondContact O-CB 3.42Å; A809-K813 PolarHBondContact O-N 2.91Å; I810-K813 PolarHBondContact O-N 3.23Å; K813-A850 WeakPolarHBondContact CE-O 3.28Å; K813-A850 HydrophobicContact CG-CB 4.47Å; K813-L851 HydrophobicContact CB-CD2 4.25Å; K813-L851 HydrophobicContact CG-CD2 3.86Å; K813-S854 VanDerWaalsContact CE-OG 3.29Å; K813-S854 WeakPolarHBondContact CE-OG 3.4Å; K813-S854 PolarHBondContact NZ-OG 2.74Å; K813-S854 VanDerWaalsContact NZ-OG 3.09Å
814	C	90.3	Very high	90	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	30.6	174.2	-51.2	0	0	0	0	111.3	I810 L811 E812 D816 N817 I820	I810-C814 WeakPolarHBondContact O-CB 3.32Å; I810-C814 PolarHBondContact O-N 2.97Å; I810-C814 PolarHBondContact O-SG 3.34Å; L811-C814 CarbonylContact O-C 3.59Å; E812-C814 VanDerWaalsContact C-N 3.33Å; E812-C814 PolarHBondContact O-N 3.02Å; C814-D816 PolarHBondContact O-N 2.81Å; C814-N817 HydrophobicContact CB-CB 4.08Å; C814-N817 WeakPolarHBondContact O-CA 3.09Å; C814-N817 WeakPolarHBondContact O-CB 3.33Å; C814-N817 PolarHBondContact O-N 2.65Å; C814-I820 HydrophobicContact CB-CD1 3.53Å
815	S	85.3	Confident	90.2	Very high	66 Å²	66	22.6 Å²	22.6	46%	0.462	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.5	-176.1	44.1	0	0	0	0	112.9	L811 E812 N817 K886	L811-S815 VanDerWaalsContact O-CA 3.25Å; L811-S815 WeakPolarHBondContact O-CA 3.45Å; L811-S815 PolarHBondContact O-N 3.27Å; E812-S815 WeakPolarHBondContact O-CB 3.12Å; E812-S815 PolarHBondContact O-N 3.03Å; E812-S815 PolarHBondContact O-OG 3.46Å; S815-N817 PolarHBondContact O-N 3.41Å; S815-K886 PolarHBondContact O-NZ 3.2Å
816	D	84.9	Confident	90.6	Very high	89 Å²	89	23.4 Å²	23.4	48%	0.476	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-2	172.6	78.4	-29.4	0	0	0	114.2	C814 K846	C814-D816 PolarHBondContact O-N 2.81Å; D816-K846 WeakPolarHBondContact O-CE 3.41Å; D816-K846 PolarHBondContact O-NZ 3.24Å; D816-K846 WeakPolarHBondContact OD2-CE 3.2Å; D816-K846 IonicContact OD2-NZ 2.77Å; D816-K846 PolarHBondContact OD2-NZ 2.91Å
817	N	86.5	Confident	90.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	14%	0.141	C	C	.	.			trans	-108.8	121.2	-176.9	-164.6	-18.7	0	0	0	110.6	C814 S815 G819 Y843 A847 K886	C814-N817 HydrophobicContact CB-CB 4.08Å; C814-N817 WeakPolarHBondContact O-CA 3.09Å; C814-N817 WeakPolarHBondContact O-CB 3.33Å; C814-N817 PolarHBondContact O-N 2.65Å; S815-N817 PolarHBondContact O-N 3.41Å; N817-G819 PolarHBondContact OD1-N 2.9Å; N817-Y843 PolarHBondContact ND2-O 2.93Å; N817-Y843 VanDerWaalsContact OD1-CD1 3.28Å; N817-Y843 WeakPolarHBondContact OD1-CD1 3.41Å; N817-A847 PolarHBondContact ND2-N 3.14Å; N817-K886 PolarHBondContact O-NZ 3.45Å
818	D	87.8	Confident	90.5	Very high	95 Å²	95	31.4 Å²	31.4	51%	0.508	17%	0.168	S	C	.	.	S	Bend	trans	-95.5	0.2	-179.7	-65.3	-2.6	0	0	0	112.2	P884 K886	D818-P884 VanDerWaalsContact O-CB 3.3Å; D818-P884 WeakPolarHBondContact O-CB 3.45Å; D818-P884 WeakPolarHBondContact O-CG 3.41Å; D818-K886 VanDerWaalsContact OD1-CE 3.27Å; D818-K886 WeakPolarHBondContact OD1-CE 3.34Å; D818-K886 IonicContact OD1-NZ 2.62Å; D818-K886 PolarHBondContact OD1-NZ 2.81Å
819	G	90.8	Very high	90.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.			trans	-100.3	-3.4	-171.3	0	0	0	0	0	116.5	N817 C838 L839	N817-G819 PolarHBondContact OD1-N 2.9Å; G819-C838 CarbonylContact O-C 3.54Å; G819-C838 WeakPolarHBondContact O-CA 3.4Å; G819-C838 WeakPolarHBondContact O-CB 3.39Å; G819-L839 PolarHBondContact O-N 3.29Å
820	I	95.1	Very high	90.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.3	-179.6	-64.6	171.9	0	0	0	109.6	L811 C814 I823 V836 A847 P884 L885	L811-I820 HydrophobicContact CD2-CG2 4.11Å; C814-I820 HydrophobicContact CB-CD1 3.53Å; I820-I823 HydrophobicContact CG2-CD1 4.06Å; I820-I823 HydrophobicContact CG2-CG1 3.91Å; I820-V836 HydrophobicContact CG1-CG1 4.22Å; I820-V836 HydrophobicContact CG2-CG1 3.78Å; I820-A847 HydrophobicContact CD1-CB 4.4Å; I820-P884 CarbonylContact O-C 3.56Å; I820-P884 WeakPolarHBondContact O-CA 3.23Å; I820-L885 PolarHBondContact O-N 2.82Å
821	V	94.4	Very high	90.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-19.5	-175.3	-62.3	0	0	0	0	114.9	K837 L839 S881 T883	V821-K837 HydrophobicContact CG2-CB 4.24Å; V821-K837 HydrophobicContact CG2-CD 3.76Å; V821-K837 HydrophobicContact CG2-CG 3.79Å; V821-K837 WeakPolarHBondContact CG2-O 3.25Å; V821-K837 PolarHBondContact N-O 2.92Å; V821-L839 HydrophobicContact CG1-CD1 4.49Å; V821-L839 HydrophobicContact CG1-CD2 3.67Å; V821-L839 HydrophobicContact CG1-CG 3.64Å; V821-S881 WeakPolarHBondContact CG2-O 3.42Å; V821-T883 WeakPolarHBondContact CA-O 3.21Å
822	H	95.4	Very high	90.5	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.069	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	136.1	178.5	179.2	-88.4	0	0	0	111.3	V836 K837 Y871 Q877 A878 S881	H822-V836 WeakPolarHBondContact O-CA 3.3Å; H822-K837 HydrophobicContact CB-CB 4.2Å; H822-K837 PolarHBondContact N-O 3.08Å; H822-K837 PolarHBondContact O-N 3.17Å; H822-Y871 AromaticContact ND1-CE1 3.63Å; H822-Y871 AromaticContact ND1-CZ 3.7Å; H822-Y871 PolarHBondContact ND1-OH 3.37Å; H822-Y871 PolarHBondContact O-OH 3.44Å; H822-Q877 PolarHBondContact NE2-NE2 3.01Å; H822-A878 HydrophobicContact CB-CB 4.23Å; H822-S881 PolarHBondContact CD2-OG 3.07Å
823	I	94.8	Very high	90.8	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.6	176.7	-52.7	-179.6	0	0	0	109.3	Q807 I810 L811 I820 V834 Y835 V836 L885	Q807-I823 HydrophobicContact CB-CG2 4.44Å; Q807-I823 HydrophobicContact CG-CB 4.18Å; Q807-I823 HydrophobicContact CG-CG2 3.83Å; Q807-I823 PolarHBondContact NE2-O 2.78Å; I810-I823 HydrophobicContact CB-CD1 4.39Å; I810-I823 HydrophobicContact CG2-CD1 4.04Å; L811-I823 HydrophobicContact CD1-CD1 4.38Å; L811-I823 HydrophobicContact CD2-CD1 3.77Å; L811-I823 HydrophobicContact CG-CD1 3.79Å; I820-I823 HydrophobicContact CG2-CD1 4.06Å; I820-I823 HydrophobicContact CG2-CG1 3.91Å; I823-V834 HydrophobicContact CG2-CG1 3.45Å; I823-V834 VanDerWaalsContact CG2-CG1 3.45Å; I823-Y835 WeakPolarHBondContact CA-O 3.27Å; I823-V836 HydrophobicContact CG1-CG1 4.36Å; I823-V836 HydrophobicContact CG1-CG2 4.25Å; I823-V836 HydrophobicContact CG2-CG2 4.24Å; I823-L885 HydrophobicContact CG1-CD1 4.25Å
824	A	93.9	Very high	91.1	Very high	9 Å²	9	42.1 Å²	42.1	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	172.1	0	0	0	0	0	111.2	V834 Y835 F875	A824-V834 WeakPolarHBondContact O-CG1 3.28Å; A824-Y835 PolarHBondContact N-O 3.01Å; A824-Y835 PolarHBondContact O-N 2.99Å; A824-F875 HydrophobicContact CB-CD1 3.68Å; A824-F875 HydrophobicContact CB-CD2 4.29Å; A824-F875 HydrophobicContact CB-CE1 3.42Å; A824-F875 VanDerWaalsContact CB-CE1 3.42Å; A824-F875 HydrophobicContact CB-CE2 4.07Å; A824-F875 HydrophobicContact CB-CG 4.11Å; A824-F875 HydrophobicContact CB-CZ 3.62Å
825	V	93.4	Very high	91.4	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.121	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.1	177.8	177.5	0	0	0	0	108.4	F792 W802 H803 I806 Q807 K827 V834	F792-V825 HydrophobicContact CD1-CG1 4.35Å; F792-V825 HydrophobicContact CE1-CG1 3.63Å; F792-V825 HydrophobicContact CZ-CG1 3.82Å; W802-V825 HydrophobicContact CH2-CG1 4Å; W802-V825 HydrophobicContact CZ3-CG1 3.72Å; H803-V825 HydrophobicContact CB-CB 4.05Å; H803-V825 HydrophobicContact CB-CG1 4.01Å; H803-V825 HydrophobicContact CB-CG2 4.38Å; I806-V825 HydrophobicContact CB-CG2 4.32Å; I806-V825 HydrophobicContact CG2-CG2 4.18Å; Q807-V825 HydrophobicContact CG-CG2 3.77Å; V825-K827 PolarHBondContact O-N 3.08Å; V825-K827 VanDerWaalsContact O-N 3.15Å; V825-V834 HydrophobicContact CG1-CG2 4.45Å; V825-V834 HydrophobicContact CG2-CG1 3.95Å; V825-V834 HydrophobicContact CG2-CG2 4.16Å
826	D	92.9	Very high	91.9	Very high	31 Å²	31	39.6 Å²	39.6	17%	0.166	19%	0.19	C	C	.	.			trans	-87.9	83.5	-174.5	-170.4	-24	0	0	0	109.5	F792 N828 S829 C833 Y835 R874	F792-D826 WeakPolarHBondContact CZ-O 3.37Å; D826-N828 PolarHBondContact O-N 2.96Å; D826-S829 VanDerWaalsContact O-CB 3.31Å; D826-S829 WeakPolarHBondContact O-CB 3.19Å; D826-S829 PolarHBondContact O-N 2.85Å; D826-S829 PolarHBondContact OD1-N 2.91Å; D826-C833 HydrophobicContact CB-CB 4.18Å; D826-C833 WeakPolarHBondContact CB-O 3.45Å; D826-C833 PolarHBondContact N-O 2.98Å; D826-Y835 HydrophobicContact CB-CD2 4.22Å; D826-Y835 HydrophobicContact CB-CE2 3.74Å; D826-Y835 WeakPolarHBondContact OD2-CE2 3.33Å; D826-R874 IonicContact OD2-NH1 2.67Å; D826-R874 PolarHBondContact OD2-NH1 2.97Å; D826-R874 VanDerWaalsContact OD2-NH1 3.16Å
827	K	90.3	Very high	92.4	Very high	68 Å²	68	36.4 Å²	36.4	30%	0.296	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-28.8	-175.4	-73.1	-171	166.7	-179.1	0	113.9	P794 D800 W802 V825	P794-K827 VanDerWaalsContact CB-O 3.31Å; P794-K827 WeakPolarHBondContact CB-O 3.46Å; D800-K827 PolarHBondContact O-NZ 2.85Å; D800-K827 IonicContact OD1-NZ 3.58Å; D800-K827 PolarHBondContact OD1-NZ 2.81Å; W802-K827 HydrophobicContact CH2-CB 4.44Å; W802-K827 HydrophobicContact CH2-CG 4.05Å; W802-K827 HydrophobicContact CZ2-CB 4.18Å; W802-K827 HydrophobicContact CZ2-CD 4.4Å; W802-K827 HydrophobicContact CZ2-CG 3.75Å; V825-K827 PolarHBondContact O-N 3.08Å; V825-K827 VanDerWaalsContact O-N 3.15Å
828	N	88.2	Confident	92.8	Very high	146 Å²	146	36.4 Å²	36.4	78%	0.781	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.3	-177.4	-60.2	86.3	0	0	0	113.3	D826 R830	D826-N828 PolarHBondContact O-N 2.96Å; N828-R830 PolarHBondContact O-N 3.49Å
829	S	90.7	Very high	93.1	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.112	17%	0.172	C	C	.	.			trans	-80.5	106.5	-176.6	-170	0	0	0	0	112.4	P794 D826 E831 G832 C833	P794-S829 WeakPolarHBondContact CG-O 3.45Å; D826-S829 VanDerWaalsContact O-CB 3.31Å; D826-S829 WeakPolarHBondContact O-CB 3.19Å; D826-S829 PolarHBondContact O-N 2.85Å; D826-S829 PolarHBondContact OD1-N 2.91Å; S829-E831 PolarHBondContact O-N 3.11Å; S829-E831 PolarHBondContact OG-N 2.79Å; S829-G832 PolarHBondContact O-N 2.77Å; S829-C833 WeakPolarHBondContact OG-CB 3.43Å; S829-C833 PolarHBondContact OG-SG 2.95Å
830	R	86.6	Confident	93.2	Very high	231 Å²	231	38.3 Å²	38.3	87%	0.872	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.2	169	-63	-174	-178.8	-171.4	-0.1	114.3	N828	N828-R830 PolarHBondContact O-N 3.49Å
831	E	88.8	Confident	93.1	Very high	79 Å²	79	39.9 Å²	39.9	37%	0.369	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.8	176.6	-42.9	-177.1	119.9	0	0	113.2	K787 R789 N790 S829 C833	K787-E831 IonicContact NZ-OE2 3.16Å; K787-E831 PolarHBondContact NZ-OE2 3.31Å; R789-E831 VanDerWaalsContact CZ-CD 3.47Å; R789-E831 IonicContact CZ-OE1 3.7Å; R789-E831 IonicContact CZ-OE2 3.36Å; R789-E831 IonicContact NH1-OE1 2.8Å; R789-E831 PolarHBondContact NH1-OE1 2.76Å; R789-E831 IonicContact NH1-OE2 3.27Å; R789-E831 PolarHBondContact NH1-OE2 2.94Å; R789-E831 VanDerWaalsContact NH2-CD 3.33Å; R789-E831 IonicContact NH2-OE1 3.75Å; R789-E831 PolarHBondContact NH2-OE1 2.69Å; R789-E831 IonicContact NH2-OE2 2.67Å; N790-E831 PolarHBondContact N-O 3.04Å; S829-E831 PolarHBondContact O-N 3.11Å; S829-E831 PolarHBondContact OG-N 2.79Å; E831-C833 PolarHBondContact OE2-SG 3.32Å
832	G	92.7	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.			trans	63.4	48.2	-178.7	0	0	0	0	0	113.3	R789 N790 M791 F792 S829	R789-G832 CarbonylContact C-O 3.15Å; N790-G832 PolarHBondContact N-O 3.33Å; N790-G832 VanDerWaalsContact N-O 3.16Å; M791-G832 PolarHBondContact N-O 3.47Å; M791-G832 VanDerWaalsContact N-O 3.08Å; F792-G832 VanDerWaalsContact O-CA 3.22Å; F792-G832 WeakPolarHBondContact O-CA 3.47Å; S829-G832 PolarHBondContact O-N 2.77Å
833	C	95.1	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.			trans	-86.7	137.6	-169.2	-67.7	0	0	0	0	114.9	K787 I788 F792 D826 S829 E831 Y835	K787-C833 WeakPolarHBondContact CE-SG 3.3Å; K787-C833 PolarHBondContact NZ-SG 3.07Å; I788-C833 WeakPolarHBondContact O-CA 3.35Å; F792-C833 WeakPolarHBondContact CE1-O 3.44Å; D826-C833 HydrophobicContact CB-CB 4.18Å; D826-C833 WeakPolarHBondContact CB-O 3.45Å; D826-C833 PolarHBondContact N-O 2.98Å; S829-C833 WeakPolarHBondContact OG-CB 3.43Å; S829-C833 PolarHBondContact OG-SG 2.95Å; E831-C833 PolarHBondContact OE2-SG 3.32Å; C833-Y835 HydrophobicContact CB-CE2 4.02Å
834	V	96	Very high	92.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.8	170.2	-169.9	0	0	0	0	109.4	I788 M791 F792 I806 I810 I823 A824 V825	I788-V834 HydrophobicContact CB-CB 4.33Å; I788-V834 HydrophobicContact CD1-CB 4.37Å; I788-V834 PolarHBondContact N-O 2.8Å; I788-V834 PolarHBondContact O-N 3.04Å; M791-V834 HydrophobicContact CB-CG2 3.93Å; M791-V834 HydrophobicContact CG-CG2 3.96Å; F792-V834 HydrophobicContact CD1-CG2 4.32Å; F792-V834 HydrophobicContact CE1-CG2 3.87Å; I806-V834 HydrophobicContact CG2-CG2 3.68Å; I810-V834 HydrophobicContact CD1-CB 4.01Å; I810-V834 HydrophobicContact CD1-CG1 3.61Å; I810-V834 HydrophobicContact CD1-CG2 4.13Å; I823-V834 HydrophobicContact CG2-CG1 3.45Å; I823-V834 VanDerWaalsContact CG2-CG1 3.45Å; A824-V834 WeakPolarHBondContact O-CG1 3.28Å; V825-V834 HydrophobicContact CG1-CG2 4.45Å; V825-V834 HydrophobicContact CG2-CG1 3.95Å; V825-V834 HydrophobicContact CG2-CG2 4.16Å
835	Y	96.1	Very high	92.7	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.8	-176.5	-63.7	-90	0	0	0	109.9	L786 K787 I823 A824 D826 C833 L866 Y871 F875	L786-Y835 CarbonylContact O-C 3.6Å; L786-Y835 WeakPolarHBondContact O-CA 3.48Å; K787-Y835 HydrophobicContact CB-CD1 4.05Å; K787-Y835 HydrophobicContact CB-CE1 3.94Å; K787-Y835 HydrophobicContact CD-CE1 3.79Å; K787-Y835 HydrophobicContact CG-CD1 4.15Å; K787-Y835 HydrophobicContact CG-CE1 3.7Å; I823-Y835 WeakPolarHBondContact CA-O 3.27Å; A824-Y835 PolarHBondContact N-O 3.01Å; A824-Y835 PolarHBondContact O-N 2.99Å; D826-Y835 HydrophobicContact CB-CD2 4.22Å; D826-Y835 HydrophobicContact CB-CE2 3.74Å; D826-Y835 WeakPolarHBondContact OD2-CE2 3.33Å; C833-Y835 HydrophobicContact CB-CE2 4.02Å; Y835-L866 HydrophobicContact CD1-CD2 3.74Å; Y835-L866 HydrophobicContact CE1-CD2 4.03Å; Y835-Y871 PolarHBondContact O-OH 3.44Å; Y835-F875 HydrophobicContact CD1-CE2 4.24Å; Y835-F875 AromaticContact CD2-CE2 3.79Å; Y835-F875 HydrophobicContact CD2-CE2 3.79Å; Y835-F875 AromaticContact CD2-CZ 3.67Å; Y835-F875 HydrophobicContact CD2-CZ 3.67Å; Y835-F875 HydrophobicContact CE2-CZ 4.29Å; Y835-F875 AromaticContact CG-CE2 3.6Å; Y835-F875 HydrophobicContact CG-CE2 3.6Å; Y835-F875 AromaticContact CG-CZ 4Å; Y835-F875 HydrophobicContact CG-CZ 4Å
836	V	95.8	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	-178.2	-176.4	0	0	0	0	110.6	C785 L786 I788 I810 I820 H822 I823 Y871	C785-V836 CarbonylContact C-O 3.57Å; C785-V836 VanDerWaalsContact CA-O 3.3Å; C785-V836 WeakPolarHBondContact CA-O 3.04Å; L786-V836 HydrophobicContact CB-CB 4.4Å; L786-V836 PolarHBondContact N-O 2.84Å; L786-V836 PolarHBondContact O-N 3.37Å; I788-V836 HydrophobicContact CD1-CG2 3.62Å; I788-V836 HydrophobicContact CG1-CG2 4.49Å; I810-V836 HydrophobicContact CG2-CG2 4.36Å; I820-V836 HydrophobicContact CG1-CG1 4.22Å; I820-V836 HydrophobicContact CG2-CG1 3.78Å; H822-V836 WeakPolarHBondContact O-CA 3.3Å; I823-V836 HydrophobicContact CG1-CG1 4.36Å; I823-V836 HydrophobicContact CG1-CG2 4.25Å; I823-V836 HydrophobicContact CG2-CG2 4.24Å; V836-Y871 VanDerWaalsContact C-CE2 3.45Å; V836-Y871 WeakPolarHBondContact O-CE2 3.22Å
837	K	95.7	Very high	92.6	Very high	21 Å²	21	50.3 Å²	50.3	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.8	167.6	177.2	-167	173.3	-159.8	0	108.8	V821 H822 Y871 A878 S881	V821-K837 HydrophobicContact CG2-CB 4.24Å; V821-K837 HydrophobicContact CG2-CD 3.76Å; V821-K837 HydrophobicContact CG2-CG 3.79Å; V821-K837 WeakPolarHBondContact CG2-O 3.25Å; V821-K837 PolarHBondContact N-O 2.92Å; H822-K837 HydrophobicContact CB-CB 4.2Å; H822-K837 PolarHBondContact N-O 3.08Å; H822-K837 PolarHBondContact O-N 3.17Å; K837-Y871 HydrophobicContact CB-CD1 4.35Å; K837-Y871 HydrophobicContact CB-CE1 3.87Å; K837-Y871 HydrophobicContact CB-CE2 4.22Å; K837-A878 HydrophobicContact CD-CB 4.22Å; K837-A878 PolarHBondContact NZ-O 3.06Å; K837-S881 PolarHBondContact NZ-O 3.16Å
838	C	94.8	Very high	92.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	168.3	170.6	-53.9	0	0	0	0	111.3	P784 G819 A844	P784-C838 WeakPolarHBondContact O-CB 3.48Å; P784-C838 PolarHBondContact O-N 3.22Å; G819-C838 CarbonylContact O-C 3.54Å; G819-C838 WeakPolarHBondContact O-CA 3.4Å; G819-C838 WeakPolarHBondContact O-CB 3.39Å; C838-A844 HydrophobicContact CB-CB 4.17Å
839	L	93.8	Very high	92.8	Very high	95 Å²	95	47.3 Å²	47.3	50%	0.497	22%	0.218	S	C	.	.	S	Bend	trans	-64.1	-42.3	171.9	-74.1	175	0	0	0	112.7	G819 V821 Y843 P884	G819-L839 PolarHBondContact O-N 3.29Å; V821-L839 HydrophobicContact CG1-CD1 4.49Å; V821-L839 HydrophobicContact CG1-CD2 3.67Å; V821-L839 HydrophobicContact CG1-CG 3.64Å; L839-Y843 HydrophobicContact CB-CD2 4.34Å; L839-P884 HydrophobicContact CD1-CG 4.43Å
840	S	92.5	Very high	92.9	Very high	41 Å²	41	47.5 Å²	47.5	29%	0.287	22%	0.22	S	C	.	.	S	Bend	trans	-143	154.2	-170.7	-151.9	0	0	0	0	111.1	E842 Y843 A844	S840-E842 WeakPolarHBondContact CB-OE2 3.3Å; S840-E842 PolarHBondContact O-N 3.04Å; S840-E842 PolarHBondContact OG-OE2 2.81Å; S840-Y843 PolarHBondContact O-N 3.03Å; S840-A844 PolarHBondContact O-N 2.67Å
841	P	93.2	Very high	93.2	Very high	35 Å²	35	36.5 Å²	36.5	23%	0.227	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-33.3	179.6	-24.2	34.7	0	0	0	113.5	S781 Y843 A844 G845	S781-P841 WeakPolarHBondContact CB-O 3.37Å; S781-P841 WeakPolarHBondContact O-CB 3.45Å; S781-P841 PolarHBondContact OG-O 3.29Å; P841-Y843 PolarHBondContact O-N 3.18Å; P841-A844 CarbonylContact O-C 3.23Å; P841-A844 WeakPolarHBondContact O-CA 3.38Å; P841-A844 WeakPolarHBondContact O-CB 3.33Å; P841-A844 PolarHBondContact O-N 3.41Å; P841-A844 VanDerWaalsContact O-N 3.11Å; P841-G845 PolarHBondContact O-N 3.14Å
842	E	91	Very high	93.4	Very high	116 Å²	116	33.6 Å²	33.6	54%	0.542	17%	0.165	S	C	.	.	H	α-helix	trans	-65.7	-41.2	-177.9	-56.8	64.7	-132.9	0	0	110.8	S840 A844 G845 K846	S840-E842 WeakPolarHBondContact CB-OE2 3.3Å; S840-E842 PolarHBondContact O-N 3.04Å; S840-E842 PolarHBondContact OG-OE2 2.81Å; E842-A844 VanDerWaalsContact C-N 3.35Å; E842-G845 CarbonylContact O-C 3.52Å; E842-G845 WeakPolarHBondContact O-CA 3.45Å; E842-G845 PolarHBondContact O-N 3.31Å; E842-G845 VanDerWaalsContact O-N 3.17Å; E842-K846 PolarHBondContact O-N 3.02Å
843	Y	93.5	Very high	93.3	Very high	97 Å²	97	33.6 Å²	33.6	38%	0.38	17%	0.165	S	C	.	.	H	α-helix	trans	-66.9	-35.5	172.5	-67.4	-64.5	0	0	0	112	N817 L839 S840 P841 G845 K846 A847	N817-Y843 PolarHBondContact ND2-O 2.93Å; N817-Y843 VanDerWaalsContact OD1-CD1 3.28Å; N817-Y843 WeakPolarHBondContact OD1-CD1 3.41Å; L839-Y843 HydrophobicContact CB-CD2 4.34Å; S840-Y843 PolarHBondContact O-N 3.03Å; P841-Y843 PolarHBondContact O-N 3.18Å; Y843-G845 VanDerWaalsContact C-N 3.33Å; Y843-K846 PolarHBondContact O-N 3.4Å; Y843-A847 PolarHBondContact O-N 3.49Å
844	A	93.3	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-34.4	170.5	0	0	0	0	0	111.8	T783 L786 C838 S840 P841 E842 F848 Y865	T783-A844 WeakPolarHBondContact O-CB 3.42Å; L786-A844 HydrophobicContact CD2-CB 4.24Å; L786-A844 HydrophobicContact CG-CB 4.29Å; C838-A844 HydrophobicContact CB-CB 4.17Å; S840-A844 PolarHBondContact O-N 2.67Å; P841-A844 CarbonylContact O-C 3.23Å; P841-A844 WeakPolarHBondContact O-CA 3.38Å; P841-A844 WeakPolarHBondContact O-CB 3.33Å; P841-A844 PolarHBondContact O-N 3.41Å; P841-A844 VanDerWaalsContact O-N 3.11Å; E842-A844 VanDerWaalsContact C-N 3.35Å; A844-F848 WeakPolarHBondContact O-CB 3.3Å; A844-F848 PolarHBondContact O-N 2.99Å; A844-Y865 HydrophobicContact CB-CE1 4.36Å
845	G	91.4	Very high	93	Very high	9 Å²	9	38.4 Å²	38.4	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-38.8	170.9	0	0	0	0	0	113	P841 E842 Y843 F848 K849 Y865	P841-G845 PolarHBondContact O-N 3.14Å; E842-G845 CarbonylContact O-C 3.52Å; E842-G845 WeakPolarHBondContact O-CA 3.45Å; E842-G845 PolarHBondContact O-N 3.31Å; E842-G845 VanDerWaalsContact O-N 3.17Å; Y843-G845 VanDerWaalsContact C-N 3.33Å; G845-F848 PolarHBondContact O-N 2.74Å; G845-K849 WeakPolarHBondContact O-CG 3.07Å; G845-K849 PolarHBondContact O-N 2.6Å; G845-Y865 WeakPolarHBondContact CA-OH 3.31Å
846	K	91.6	Very high	92.7	Very high	84 Å²	84	37.7 Å²	37.7	37%	0.365	18%	0.181	S	C	.	.	H	α-helix	trans	-65.8	-48.4	174.1	-169.4	170.9	-178	-177.7	0	111.8	D816 E842 Y843 F848 K849 A850	D816-K846 WeakPolarHBondContact O-CE 3.41Å; D816-K846 PolarHBondContact O-NZ 3.24Å; D816-K846 WeakPolarHBondContact OD2-CE 3.2Å; D816-K846 IonicContact OD2-NZ 2.77Å; D816-K846 PolarHBondContact OD2-NZ 2.91Å; E842-K846 PolarHBondContact O-N 3.02Å; Y843-K846 PolarHBondContact O-N 3.4Å; K846-F848 PolarHBondContact O-N 3.21Å; K846-K849 PolarHBondContact O-N 3.48Å; K846-A850 PolarHBondContact O-N 2.62Å; K846-A850 VanDerWaalsContact O-N 3.14Å
847	A	92.8	Very high	92.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-40.9	173.8	0	0	0	0	0	112.5	L786 N817 I820 Y843 K849 A850 L851	L786-A847 HydrophobicContact CD1-CB 3.84Å; N817-A847 PolarHBondContact ND2-N 3.14Å; I820-A847 HydrophobicContact CD1-CB 4.4Å; Y843-A847 PolarHBondContact O-N 3.49Å; A847-K849 VanDerWaalsContact C-N 3.29Å; A847-K849 PolarHBondContact O-N 2.66Å; A847-A850 PolarHBondContact O-N 3.48Å; A847-L851 HydrophobicContact CB-CD1 4.4Å; A847-L851 WeakPolarHBondContact O-CB 3.43Å; A847-L851 WeakPolarHBondContact O-CD1 3.41Å; A847-L851 VanDerWaalsContact O-CG 3.3Å; A847-L851 WeakPolarHBondContact O-CG 3.34Å; A847-L851 PolarHBondContact O-N 2.8Å
848	F	93.5	Very high	91.6	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-44	174.6	-177.9	-78.1	0	0	0	111	L772 P778 L786 A844 G845 K846 L851 H852 V863 Y865	L772-F848 HydrophobicContact CD2-CE1 4.43Å; P778-F848 HydrophobicContact CG-CZ 4.42Å; L786-F848 HydrophobicContact CD1-CB 4.5Å; L786-F848 HydrophobicContact CD2-CB 4.35Å; L786-F848 HydrophobicContact CD2-CD2 4.27Å; A844-F848 WeakPolarHBondContact O-CB 3.3Å; A844-F848 PolarHBondContact O-N 2.99Å; G845-F848 PolarHBondContact O-N 2.74Å; K846-F848 PolarHBondContact O-N 3.21Å; F848-L851 PolarHBondContact O-N 2.89Å; F848-H852 HydrophobicContact CD1-CB 4.08Å; F848-H852 HydrophobicContact CE1-CB 3.78Å; F848-H852 AromaticContact CE1-CD2 3.49Å; F848-H852 VanDerWaalsContact CE1-CD2 3.49Å; F848-H852 WeakPolarHBondContact CE1-CD2 3.47Å; F848-H852 AromaticContact CE1-CG 3.89Å; F848-H852 HydrophobicContact CE2-CB 4.41Å; F848-H852 HydrophobicContact CG-CB 4.49Å; F848-H852 HydrophobicContact CZ-CB 3.95Å; F848-H852 AromaticContact CZ-CD2 3.32Å; F848-H852 WeakPolarHBondContact CZ-CD2 3.1Å; F848-H852 AromaticContact CZ-CG 3.7Å; F848-H852 WeakPolarHBondContact O-CB 3.43Å; F848-H852 PolarHBondContact O-N 3.05Å; F848-V863 HydrophobicContact CD2-CB 3.84Å; F848-V863 HydrophobicContact CD2-CG1 3.6Å; F848-V863 HydrophobicContact CE2-CB 3.9Å; F848-V863 HydrophobicContact CE2-CG1 4.08Å; F848-V863 WeakPolarHBondContact CE2-O 3.47Å; F848-V863 HydrophobicContact CG-CG1 4.44Å; F848-Y865 HydrophobicContact CD2-CD2 4.27Å; F848-Y865 AromaticContact CD2-CE2 3.6Å; F848-Y865 HydrophobicContact CD2-CE2 3.6Å; F848-Y865 AromaticContact CD2-CZ 3.81Å; F848-Y865 HydrophobicContact CE2-CD2 4.3Å; F848-Y865 AromaticContact CE2-CE2 3.83Å; F848-Y865 HydrophobicContact CE2-CE2 3.83Å; F848-Y865 HydrophobicContact CG-CE2 4.12Å
849	K	90.9	Very high	91.4	Very high	145 Å²	145	43.3 Å²	43.3	63%	0.63	22%	0.222	S	C	*	.	H	α-helix	trans	-67.4	-33.3	178.7	-73.6	175.7	179.9	-176.4	0	113.8	L772 G845 K846 A847	L772-K849 HydrophobicContact CD1-CB 4.09Å; L772-K849 HydrophobicContact CD1-CG 4.23Å; L772-K849 WeakPolarHBondContact CD1-O 3.31Å; G845-K849 WeakPolarHBondContact O-CG 3.07Å; G845-K849 PolarHBondContact O-N 2.6Å; K846-K849 PolarHBondContact O-N 3.48Å; A847-K849 VanDerWaalsContact C-N 3.29Å; A847-K849 PolarHBondContact O-N 2.66Å
850	A	91.1	Very high	91.4	Very high	20 Å²	20	41.2 Å²	41.2	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-71.8	-38.1	174.2	0	0	0	0	0	112.4	K813 K846 A847 S854	K813-A850 WeakPolarHBondContact CE-O 3.28Å; K813-A850 HydrophobicContact CG-CB 4.47Å; K846-A850 PolarHBondContact O-N 2.62Å; K846-A850 VanDerWaalsContact O-N 3.14Å; A847-A850 PolarHBondContact O-N 3.48Å; A850-S854 PolarHBondContact O-OG 2.94Å
851	L	93.2	Very high	91.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-96.7	-33.1	-167.3	-64.8	165.7	0	0	0	114.4	W765 I788 I810 K813 A847 F848 G853 S854 V863	W765-L851 HydrophobicContact CH2-CD2 3.53Å; W765-L851 HydrophobicContact CZ2-CD2 3.92Å; W765-L851 HydrophobicContact CZ3-CD2 4.37Å; I788-L851 HydrophobicContact CD1-CD1 3.75Å; I788-L851 HydrophobicContact CG1-CD1 4.38Å; I810-L851 HydrophobicContact CG1-CD2 4.47Å; I810-L851 HydrophobicContact CG2-CD1 4.22Å; I810-L851 HydrophobicContact CG2-CD2 4.45Å; K813-L851 HydrophobicContact CB-CD2 4.25Å; K813-L851 HydrophobicContact CG-CD2 3.86Å; A847-L851 HydrophobicContact CB-CD1 4.4Å; A847-L851 WeakPolarHBondContact O-CB 3.43Å; A847-L851 WeakPolarHBondContact O-CD1 3.41Å; A847-L851 VanDerWaalsContact O-CG 3.3Å; A847-L851 WeakPolarHBondContact O-CG 3.34Å; A847-L851 PolarHBondContact O-N 2.8Å; F848-L851 PolarHBondContact O-N 2.89Å; L851-G853 PolarHBondContact O-N 3.2Å; L851-S854 PolarHBondContact O-N 3.39Å; L851-V863 HydrophobicContact CB-CG2 3.75Å
852	H	93.6	Very high	91.6	Very high	19 Å²	19	40 Å²	40	9%	0.088	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	125.2	-172.9	-172.5	35.8	0	0	0	112.3	L772 N776 F848 S854 V863	L772-H852 HydrophobicContact CD2-CB 4.17Å; N776-H852 PolarHBondContact O-NE2 3.35Å; N776-H852 VanDerWaalsContact O-NE2 3.15Å; F848-H852 HydrophobicContact CD1-CB 4.08Å; F848-H852 HydrophobicContact CE1-CB 3.78Å; F848-H852 AromaticContact CE1-CD2 3.49Å; F848-H852 VanDerWaalsContact CE1-CD2 3.49Å; F848-H852 WeakPolarHBondContact CE1-CD2 3.47Å; F848-H852 AromaticContact CE1-CG 3.89Å; F848-H852 HydrophobicContact CE2-CB 4.41Å; F848-H852 HydrophobicContact CG-CB 4.49Å; F848-H852 HydrophobicContact CZ-CB 3.95Å; F848-H852 AromaticContact CZ-CD2 3.32Å; F848-H852 WeakPolarHBondContact CZ-CD2 3.1Å; F848-H852 AromaticContact CZ-CG 3.7Å; F848-H852 WeakPolarHBondContact O-CB 3.43Å; F848-H852 PolarHBondContact O-N 3.05Å; H852-S854 PolarHBondContact O-N 3.04Å; H852-V863 HydrophobicContact CB-CB 4.08Å; H852-V863 HydrophobicContact CB-CG2 3.94Å; H852-V863 PolarHBondContact ND1-N 3.25Å
853	G	91.1	Very high	91.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.6	-177.5	0	0	0	0	0	113.3	Q768 A769 L851 L860 V861	Q768-G853 CarbonylContact C-O 3.57Å; Q768-G853 WeakPolarHBondContact CA-O 3.39Å; Q768-G853 WeakPolarHBondContact CG-O 2.77Å; A769-G853 WeakPolarHBondContact CB-O 2.87Å; A769-G853 PolarHBondContact N-O 2.83Å; L851-G853 PolarHBondContact O-N 3.2Å; G853-L860 WeakPolarHBondContact O-CD1 3.47Å; G853-V861 PolarHBondContact N-O 3.35Å
854	S	92.7	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	146.7	170.8	-81.7	0	0	0	0	111.4	G767 K813 A850 L851 H852 V861	G767-S854 WeakPolarHBondContact O-CA 3.46Å; K813-S854 VanDerWaalsContact CE-OG 3.29Å; K813-S854 WeakPolarHBondContact CE-OG 3.4Å; K813-S854 PolarHBondContact NZ-OG 2.74Å; K813-S854 VanDerWaalsContact NZ-OG 3.09Å; A850-S854 PolarHBondContact O-OG 2.94Å; L851-S854 PolarHBondContact O-N 3.39Å; H852-S854 PolarHBondContact O-N 3.04Å; S854-V861 VanDerWaalsContact O-CB 3.3Å; S854-V861 WeakPolarHBondContact O-CB 3.42Å; S854-V861 PolarHBondContact O-N 2.73Å
855	W	90.9	Very high	91.8	Very high	100 Å²	100	39.8 Å²	39.8	38%	0.379	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.3	169.3	-73	98.3	0	0	0	110.4	W765 Q766 G767 G858 K859 L860	W765-W855 CarbonylContact C-O 3.5Å; W765-W855 WeakPolarHBondContact CA-O 3.3Å; Q766-W855 HydrophobicContact CB-CB 3.9Å; Q766-W855 PolarHBondContact N-O 2.94Å; G767-W855 PolarHBondContact O-N 3.05Å; W855-G858 WeakPolarHBondContact CZ3-O 3.45Å; W855-K859 WeakPolarHBondContact CA-O 3.45Å; W855-L860 HydrophobicContact CD2-CB 4.35Å; W855-L860 HydrophobicContact CD2-CD1 4.29Å; W855-L860 HydrophobicContact CE3-CB 4.12Å; W855-L860 HydrophobicContact CH2-CB 4.02Å; W855-L860 HydrophobicContact CZ2-CB 4.24Å; W855-L860 HydrophobicContact CZ2-CD1 4.44Å; W855-L860 HydrophobicContact CZ3-CB 3.96Å
856	F	90.2	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.7	175.9	-179.3	-105.5	0	0	0	109.3	K763 V764 W765 M791 I806 A809 G858 K859 V861 M895	K763-F856 HydrophobicContact CB-CE1 3.84Å; K763-F856 HydrophobicContact CB-CE2 3.98Å; K763-F856 HydrophobicContact CB-CZ 3.4Å; K763-F856 HydrophobicContact CD-CE1 4.44Å; K763-F856 HydrophobicContact CD-CZ 4.5Å; K763-F856 WeakPolarHBondContact O-CE2 3.37Å; V764-F856 WeakPolarHBondContact O-CA 3.48Å; W765-F856 HydrophobicContact CD2-CB 4.23Å; W765-F856 AromaticContact CD2-CD2 3.65Å; W765-F856 HydrophobicContact CD2-CD2 3.65Å; W765-F856 HydrophobicContact CD2-CE2 4.49Å; W765-F856 HydrophobicContact CD2-CG 4.34Å; W765-F856 AromaticContact CE2-CD2 3.53Å; W765-F856 HydrophobicContact CE3-CB 3.79Å; W765-F856 HydrophobicContact CE3-CD2 4.11Å; W765-F856 HydrophobicContact CE3-CG 4.36Å; W765-F856 HydrophobicContact CG-CD2 4.02Å; W765-F856 HydrophobicContact CH2-CB 4.14Å; W765-F856 HydrophobicContact CH2-CD2 4.36Å; W765-F856 HydrophobicContact CH2-CG 4.34Å; W765-F856 AromaticContact CZ2-CD2 3.93Å; W765-F856 HydrophobicContact CZ2-CD2 3.93Å; W765-F856 HydrophobicContact CZ2-CE2 4.41Å; W765-F856 HydrophobicContact CZ2-CG 4.32Å; W765-F856 HydrophobicContact CZ3-CB 3.74Å; W765-F856 HydrophobicContact CZ3-CD2 4.44Å; W765-F856 HydrophobicContact CZ3-CG 4.36Å; W765-F856 AromaticContact NE1-CD2 3.78Å; W765-F856 AromaticContact NE1-CE2 3.88Å; M791-F856 HydrophobicContact CE-CD1 3.64Å; M791-F856 HydrophobicContact CE-CE1 3.69Å; M791-F856 HydrophobicContact CE-CG 4.09Å; M791-F856 HydrophobicContact CE-CZ 4.18Å; M791-F856 WeakPolarHBondContact O-CD1 3.34Å; M791-F856 VanDerWaalsContact O-CE1 3.3Å; M791-F856 WeakPolarHBondContact O-CE1 3.37Å; M791-F856 HydrophobicContact SD-CD1 4.38Å; I806-F856 HydrophobicContact CD1-CE1 4.03Å; I806-F856 HydrophobicContact CD1-CZ 4.38Å; A809-F856 HydrophobicContact CB-CE2 3.59Å; A809-F856 HydrophobicContact CB-CZ 3.59Å; F856-G858 PolarHBondContact O-N 3.39Å; F856-K859 PolarHBondContact N-O 2.88Å; F856-K859 WeakPolarHBondContact O-CA 3.45Å; F856-K859 WeakPolarHBondContact O-CB 3.47Å; F856-K859 PolarHBondContact O-N 3.35Å; F856-K859 VanDerWaalsContact O-O 3.13Å; F856-V861 HydrophobicContact CB-CG2 3.69Å; F856-M895 HydrophobicContact CZ-CE 4.32Å
857	D	86.1	Confident	92	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.23	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.1	176.1	-162.3	48.9	0	0	0	113.5	K763 V764 K859	K763-D857 HydrophobicContact CB-CB 4.04Å; K763-D857 HydrophobicContact CG-CB 4.37Å; V764-D857 PolarHBondContact O-N 3.48Å; D857-K859 PolarHBondContact O-N 2.92Å; D857-K859 IonicContact OD2-NZ 2.66Å
858	G	83.7	Confident	92	Very high	51 Å²	51	47.5 Å²	47.5	53%	0.526	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	7.1	-175.6	0	0	0	0	0	115.4	W855 F856	W855-G858 WeakPolarHBondContact CZ3-O 3.45Å; F856-G858 PolarHBondContact O-N 3.39Å
859	K	89.1	Confident	92	Very high	48 Å²	48	52.2 Å²	52.2	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.9	-175	-69.8	162.2	-173.5	157.5	0	111.6	N790 W855 F856 D857 V861	N790-K859 WeakPolarHBondContact O-CB 3.44Å; W855-K859 WeakPolarHBondContact CA-O 3.45Å; F856-K859 PolarHBondContact N-O 2.88Å; F856-K859 WeakPolarHBondContact O-CA 3.45Å; F856-K859 WeakPolarHBondContact O-CB 3.47Å; F856-K859 PolarHBondContact O-N 3.35Å; F856-K859 VanDerWaalsContact O-O 3.13Å; D857-K859 PolarHBondContact O-N 2.92Å; D857-K859 IonicContact OD2-NZ 2.66Å; K859-V861 PolarHBondContact O-N 2.86Å
860	L	93.5	Very high	92.1	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.267	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.1	176.4	-177.5	61.9	0	0	0	110.4	A769 N790 G853 W855	A769-L860 HydrophobicContact CB-CD1 3.71Å; N790-L860 WeakPolarHBondContact CB-O 3.48Å; N790-L860 PolarHBondContact ND2-O 2.99Å; G853-L860 WeakPolarHBondContact O-CD1 3.47Å; W855-L860 HydrophobicContact CD2-CB 4.35Å; W855-L860 HydrophobicContact CD2-CD1 4.29Å; W855-L860 HydrophobicContact CE3-CB 4.12Å; W855-L860 HydrophobicContact CH2-CB 4.02Å; W855-L860 HydrophobicContact CZ2-CB 4.24Å; W855-L860 HydrophobicContact CZ2-CD1 4.44Å; W855-L860 HydrophobicContact CZ3-CB 3.96Å
861	V	95.4	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.248	C	C	.	.			trans	-81.7	130.1	-178.2	-178.7	0	0	0	0	110.6	W765 I788 M791 G853 S854 F856 K859	W765-V861 HydrophobicContact CH2-CG2 4.26Å; W765-V861 HydrophobicContact CZ3-CB 4.47Å; W765-V861 HydrophobicContact CZ3-CG2 3.95Å; I788-V861 HydrophobicContact CG2-CG1 3.39Å; M791-V861 HydrophobicContact CG-CG1 4.48Å; M791-V861 HydrophobicContact SD-CB 4.4Å; M791-V861 HydrophobicContact SD-CG1 3.72Å; M791-V861 HydrophobicContact SD-CG2 3.69Å; G853-V861 PolarHBondContact N-O 3.35Å; S854-V861 VanDerWaalsContact O-CB 3.3Å; S854-V861 WeakPolarHBondContact O-CB 3.42Å; S854-V861 PolarHBondContact O-N 2.73Å; F856-V861 HydrophobicContact CB-CG2 3.69Å; K859-V861 PolarHBondContact O-N 2.86Å
862	T	94.3	Very high	92.4	Very high	51 Å²	51	55.2 Å²	55.2	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	177.7	51.6	0	0	0	0	111.3	I788 R789	I788-T862 CarbonylContact C-O 3.58Å; I788-T862 WeakPolarHBondContact CA-O 3.49Å; R789-T862 PolarHBondContact N-O 3.48Å; R789-T862 PolarHBondContact O-N 2.81Å
863	V	95	Very high	92.5	Very high	12 Å²	12	62.5 Å²	62.5	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.7	-172.7	-170.5	0	0	0	0	109.6	L786 K787 I788 F848 L851 H852	L786-V863 HydrophobicContact CB-CG1 3.96Å; L786-V863 HydrophobicContact CD1-CG1 4.12Å; L786-V863 HydrophobicContact CD2-CG1 4.01Å; L786-V863 HydrophobicContact CG-CG1 4.26Å; K787-V863 CarbonylContact O-C 3.39Å; K787-V863 WeakPolarHBondContact O-CA 3.4Å; I788-V863 HydrophobicContact CG1-CG1 4.43Å; I788-V863 HydrophobicContact CG1-CG2 4.35Å; I788-V863 HydrophobicContact CG2-CG2 4.31Å; F848-V863 HydrophobicContact CD2-CB 3.84Å; F848-V863 HydrophobicContact CD2-CG1 3.6Å; F848-V863 HydrophobicContact CE2-CB 3.9Å; F848-V863 HydrophobicContact CE2-CG1 4.08Å; F848-V863 WeakPolarHBondContact CE2-O 3.47Å; F848-V863 HydrophobicContact CG-CG1 4.44Å; L851-V863 HydrophobicContact CB-CG2 3.75Å; H852-V863 HydrophobicContact CB-CB 4.08Å; H852-V863 HydrophobicContact CB-CG2 3.94Å; H852-V863 PolarHBondContact ND1-N 3.25Å
864	K	93.8	Very high	92.6	Very high	157 Å²	157	69 Å²	69	68%	0.683	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	136.9	175.2	-172.6	167.2	-176.9	168.2	0	110.7	K787	K787-K864 PolarHBondContact N-O 3.16Å; K787-K864 PolarHBondContact O-N 2.89Å
865	Y	94.1	Very high	92.6	Very high	39 Å²	39	70.4 Å²	70.4	15%	0.153	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	142.6	174.5	-69.6	-81.3	0	0	0	112	P778 S781 T783 L786 A844 G845 F848	P778-Y865 HydrophobicContact CB-CE2 4.31Å; P778-Y865 HydrophobicContact CG-CD2 4.13Å; P778-Y865 HydrophobicContact CG-CE2 4.05Å; S781-Y865 WeakPolarHBondContact CB-OH 3.39Å; T783-Y865 WeakPolarHBondContact O-CD1 3.47Å; L786-Y865 HydrophobicContact CD2-CD1 3.66Å; L786-Y865 HydrophobicContact CD2-CE1 3.62Å; L786-Y865 HydrophobicContact CD2-CG 4.33Å; A844-Y865 HydrophobicContact CB-CE1 4.36Å; G845-Y865 WeakPolarHBondContact CA-OH 3.31Å; F848-Y865 HydrophobicContact CD2-CD2 4.27Å; F848-Y865 AromaticContact CD2-CE2 3.6Å; F848-Y865 HydrophobicContact CD2-CE2 3.6Å; F848-Y865 AromaticContact CD2-CZ 3.81Å; F848-Y865 HydrophobicContact CE2-CD2 4.3Å; F848-Y865 AromaticContact CE2-CE2 3.83Å; F848-Y865 HydrophobicContact CE2-CE2 3.83Å; F848-Y865 HydrophobicContact CG-CE2 4.12Å
866	L	93.9	Very high	92.8	Very high	29 Å²	29	69.7 Å²	69.7	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.2	-180	-173.2	60.7	0	0	0	109.5	T783 C785 Y835 R870 Y871	T783-L866 WeakPolarHBondContact CB-O 3.43Å; T783-L866 PolarHBondContact OG1-N 3.11Å; T783-L866 PolarHBondContact OG1-O 3.21Å; C785-L866 HydrophobicContact CB-CB 4.25Å; C785-L866 WeakPolarHBondContact CB-O 3.45Å; C785-L866 PolarHBondContact O-N 2.99Å; Y835-L866 HydrophobicContact CD1-CD2 3.74Å; Y835-L866 HydrophobicContact CE1-CD2 4.03Å; L866-R870 HydrophobicContact CD1-CB 4.5Å; L866-R870 HydrophobicContact CD1-CG 4.21Å; L866-Y871 HydrophobicContact CD2-CD2 4.16Å
867	R	93.7	Very high	92.7	Very high	176 Å²	176	75.5 Å²	75.5	66%	0.664	36%	0.36	S	S	*	.			trans	-68.7	143.5	175.8	-58.9	-172.2	-166.1	168.7	2.5	111	R870 Y871	R867-R870 HydrophobicContact CB-CB 4.44Å; R867-R870 PolarHBondContact O-N 3.28Å; R867-Y871 PolarHBondContact O-N 2.83Å
868	L	93.4	Very high	93.1	Very high	51 Å²	51	73.5 Å²	73.5	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-46.3	-176.3	-178.1	60	0	0	0	112	P784 C785 R870 Y871 H872	P784-L868 HydrophobicContact CG-CB 4.49Å; P784-L868 HydrophobicContact CG-CD1 4.28Å; P784-L868 HydrophobicContact CG-CD2 4.37Å; C785-L868 VanDerWaalsContact SG-CD1 3.57Å; L868-R870 PolarHBondContact O-N 2.87Å; L868-Y871 CarbonylContact O-C 3.58Å; L868-Y871 WeakPolarHBondContact O-CA 3.4Å; L868-Y871 VanDerWaalsContact O-CB 3.25Å; L868-Y871 WeakPolarHBondContact O-CB 3.31Å; L868-Y871 PolarHBondContact O-N 3.12Å; L868-H872 VanDerWaalsContact CD1-NE2 3.27Å; L868-H872 WeakPolarHBondContact CD1-NE2 3.27Å; L868-H872 WeakPolarHBondContact CD2-NE2 3.27Å; L868-H872 VanDerWaalsContact CG-NE2 3.27Å; L868-H872 WeakPolarHBondContact CG-NE2 3.39Å; L868-H872 PolarHBondContact O-N 3.23Å
869	D	92.4	Very high	93.4	Very high	104 Å²	104	76 Å²	76	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-55.3	-45.8	174.8	10.4	-70.8	0	0	0	112.2	Y871 H872 H873	D869-Y871 VanDerWaalsContact C-N 3.29Å; D869-Y871 PolarHBondContact O-N 3.45Å; D869-H872 PolarHBondContact O-N 3.02Å; D869-H873 WeakPolarHBondContact O-CB 3.44Å; D869-H873 PolarHBondContact O-N 3.4Å
870	R	94	Very high	93.5	Very high	173 Å²	173	79.3 Å²	79.3	65%	0.653	38%	0.375	S	S	*	.	H	α-helix	trans	-67.2	-28.8	174.3	-175.6	176.6	-76	-170.3	-2.1	112.7	L866 R867 L868 R874	L866-R870 HydrophobicContact CD1-CB 4.5Å; L866-R870 HydrophobicContact CD1-CG 4.21Å; R867-R870 HydrophobicContact CB-CB 4.44Å; R867-R870 PolarHBondContact O-N 3.28Å; L868-R870 PolarHBondContact O-N 2.87Å; R870-R874 PolarHBondContact O-N 3.41Å
871	Y	95	Very high	93.3	Very high	0 Å²	0	78 Å²	78	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.9	-52	172.9	-165.6	-72.2	0	0	0	110.6	C785 H822 Y835 V836 K837 L866 R867 L868 D869 H873 R874 F875 A878	C785-Y871 HydrophobicContact CB-CD2 3.73Å; C785-Y871 HydrophobicContact CB-CE2 4.47Å; C785-Y871 HydrophobicContact CB-CG 4.26Å; H822-Y871 AromaticContact ND1-CE1 3.63Å; H822-Y871 AromaticContact ND1-CZ 3.7Å; H822-Y871 PolarHBondContact ND1-OH 3.37Å; H822-Y871 PolarHBondContact O-OH 3.44Å; Y835-Y871 PolarHBondContact O-OH 3.44Å; V836-Y871 VanDerWaalsContact C-CE2 3.45Å; V836-Y871 WeakPolarHBondContact O-CE2 3.22Å; K837-Y871 HydrophobicContact CB-CD1 4.35Å; K837-Y871 HydrophobicContact CB-CE1 3.87Å; K837-Y871 HydrophobicContact CB-CE2 4.22Å; L866-Y871 HydrophobicContact CD2-CD2 4.16Å; R867-Y871 PolarHBondContact O-N 2.83Å; L868-Y871 CarbonylContact O-C 3.58Å; L868-Y871 WeakPolarHBondContact O-CA 3.4Å; L868-Y871 VanDerWaalsContact O-CB 3.25Å; L868-Y871 WeakPolarHBondContact O-CB 3.31Å; L868-Y871 PolarHBondContact O-N 3.12Å; D869-Y871 VanDerWaalsContact C-N 3.29Å; D869-Y871 PolarHBondContact O-N 3.45Å; Y871-H873 PolarHBondContact O-N 2.93Å; Y871-R874 PolarHBondContact O-N 3.42Å; Y871-R874 VanDerWaalsContact O-N 3.12Å; Y871-F875 HydrophobicContact CD1-CB 4.31Å; Y871-F875 HydrophobicContact CD1-CD2 4.05Å; Y871-F875 HydrophobicContact CE1-CB 4.04Å; Y871-F875 AromaticContact CE1-CD2 3.8Å; Y871-F875 HydrophobicContact CE1-CD2 3.8Å; Y871-F875 HydrophobicContact CE1-CG 4.3Å; Y871-F875 HydrophobicContact CE2-CD2 4.41Å; Y871-F875 HydrophobicContact CG-CD2 4.42Å; Y871-F875 AromaticContact CZ-CD2 3.99Å; Y871-F875 PolarHBondContact O-N 2.98Å; Y871-A878 HydrophobicContact CD1-CB 3.98Å; Y871-A878 HydrophobicContact CE1-CB 3.56Å
872	H	95.1	Very high	93	Very high	56 Å²	56	83.3 Å²	83.3	26%	0.259	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-38.4	179.6	-66.5	150.2	0	0	0	112.8	L868 D869 R874 F875 P876 L879	L868-H872 VanDerWaalsContact CD1-NE2 3.27Å; L868-H872 WeakPolarHBondContact CD1-NE2 3.27Å; L868-H872 WeakPolarHBondContact CD2-NE2 3.27Å; L868-H872 VanDerWaalsContact CG-NE2 3.27Å; L868-H872 WeakPolarHBondContact CG-NE2 3.39Å; L868-H872 PolarHBondContact O-N 3.23Å; D869-H872 PolarHBondContact O-N 3.02Å; H872-R874 VanDerWaalsContact C-N 3.27Å; H872-R874 PolarHBondContact O-N 2.97Å; H872-F875 CarbonylContact O-C 3.19Å; H872-F875 PolarHBondContact O-N 3.15Å; H872-P876 WeakPolarHBondContact O-CA 3.25Å; H872-P876 VanDerWaalsContact O-N 3.1Å; H872-L879 HydrophobicContact CB-CD2 3.92Å; H872-L879 HydrophobicContact CB-CG 4.18Å; H872-L879 VanDerWaalsContact CG-CD2 3.5Å
873	H	95.1	Very high	92.9	Very high	171 Å²	171	85.2 Å²	85.2	79%	0.792	41%	0.41	S	S	*	.	H	α-helix	trans	-63.3	-31.4	174.3	-171.1	-40.1	0	0	0	112.5	D869 Y871	D869-H873 WeakPolarHBondContact O-CB 3.44Å; D869-H873 PolarHBondContact O-N 3.4Å; Y871-H873 PolarHBondContact O-N 2.93Å
874	R	92.9	Very high	92.7	Very high	138 Å²	138	88 Å²	88	52%	0.521	43%	0.428	S	S	.	.	H	α-helix	trans	-83.9	-32.6	175.2	-177.8	172.6	-79.9	-120.7	-9.2	112.7	D826 R870 Y871 H872	D826-R874 IonicContact OD2-NH1 2.67Å; D826-R874 PolarHBondContact OD2-NH1 2.97Å; D826-R874 VanDerWaalsContact OD2-NH1 3.16Å; R870-R874 PolarHBondContact O-N 3.41Å; Y871-R874 PolarHBondContact O-N 3.42Å; Y871-R874 VanDerWaalsContact O-N 3.12Å; H872-R874 VanDerWaalsContact C-N 3.27Å; H872-R874 PolarHBondContact O-N 2.97Å
875	F	93.9	Very high	92.5	Very high	29 Å²	29	83.5 Å²	83.5	13%	0.127	41%	0.411	C	S	.	.			trans	-133.6	77.6	-175	-55.2	-66.7	0	0	0	109.9	A824 Y835 Y871 H872 Q877 A878	A824-F875 HydrophobicContact CB-CD1 3.68Å; A824-F875 HydrophobicContact CB-CD2 4.29Å; A824-F875 HydrophobicContact CB-CE1 3.42Å; A824-F875 VanDerWaalsContact CB-CE1 3.42Å; A824-F875 HydrophobicContact CB-CE2 4.07Å; A824-F875 HydrophobicContact CB-CG 4.11Å; A824-F875 HydrophobicContact CB-CZ 3.62Å; Y835-F875 HydrophobicContact CD1-CE2 4.24Å; Y835-F875 AromaticContact CD2-CE2 3.79Å; Y835-F875 HydrophobicContact CD2-CE2 3.79Å; Y835-F875 AromaticContact CD2-CZ 3.67Å; Y835-F875 HydrophobicContact CD2-CZ 3.67Å; Y835-F875 HydrophobicContact CE2-CZ 4.29Å; Y835-F875 AromaticContact CG-CE2 3.6Å; Y835-F875 HydrophobicContact CG-CE2 3.6Å; Y835-F875 AromaticContact CG-CZ 4Å; Y835-F875 HydrophobicContact CG-CZ 4Å; Y871-F875 HydrophobicContact CD1-CB 4.31Å; Y871-F875 HydrophobicContact CD1-CD2 4.05Å; Y871-F875 HydrophobicContact CE1-CB 4.04Å; Y871-F875 AromaticContact CE1-CD2 3.8Å; Y871-F875 HydrophobicContact CE1-CD2 3.8Å; Y871-F875 HydrophobicContact CE1-CG 4.3Å; Y871-F875 HydrophobicContact CE2-CD2 4.41Å; Y871-F875 HydrophobicContact CG-CD2 4.42Å; Y871-F875 AromaticContact CZ-CD2 3.99Å; Y871-F875 PolarHBondContact O-N 2.98Å; H872-F875 CarbonylContact O-C 3.19Å; H872-F875 PolarHBondContact O-N 3.15Å; F875-Q877 HydrophobicContact CB-CG 4.38Å; F875-Q877 PolarHBondContact O-N 3.35Å; F875-A878 HydrophobicContact CB-CB 4.23Å; F875-A878 VanDerWaalsContact O-CB 3.23Å; F875-A878 WeakPolarHBondContact O-CB 3.38Å; F875-A878 PolarHBondContact O-N 3.36Å
876	P	93.3	Very high	92.1	Very high	85 Å²	85	86.1 Å²	86.1	55%	0.552	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-62.8	-31.1	-176.6	23.5	-33.6	0	0	0	112.4	H872 A878 L879	H872-P876 WeakPolarHBondContact O-CA 3.25Å; H872-P876 VanDerWaalsContact O-N 3.1Å; P876-A878 PolarHBondContact O-N 2.74Å; P876-L879 VanDerWaalsContact O-CB 3.29Å; P876-L879 WeakPolarHBondContact O-CB 3.19Å; P876-L879 WeakPolarHBondContact O-CG 3.39Å; P876-L879 PolarHBondContact O-N 3.31Å
877	Q	89.7	Confident	91.5	Very high	122 Å²	122	85.9 Å²	85.9	57%	0.57	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-51.5	-24.9	169	61.2	-176.5	62.8	0	0	114.4	H822 F875 L879 T880 S881	H822-Q877 PolarHBondContact NE2-NE2 3.01Å; F875-Q877 HydrophobicContact CB-CG 4.38Å; F875-Q877 PolarHBondContact O-N 3.35Å; Q877-L879 VanDerWaalsContact C-N 3.28Å; Q877-L879 PolarHBondContact O-N 2.57Å; Q877-T880 PolarHBondContact O-OG1 3.04Å; Q877-S881 PolarHBondContact O-OG 3.15Å; Q877-S881 VanDerWaalsContact O-OG 3.14Å
878	A	92.9	Very high	90.5	Very high	0 Å²	0	82.7 Å²	82.7	0%	0	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-78.5	-8.4	178.8	0	0	0	0	0	113.6	H822 K837 Y871 F875 P876 S881	H822-A878 HydrophobicContact CB-CB 4.23Å; K837-A878 HydrophobicContact CD-CB 4.22Å; K837-A878 PolarHBondContact NZ-O 3.06Å; Y871-A878 HydrophobicContact CD1-CB 3.98Å; Y871-A878 HydrophobicContact CE1-CB 3.56Å; F875-A878 HydrophobicContact CB-CB 4.23Å; F875-A878 VanDerWaalsContact O-CB 3.23Å; F875-A878 WeakPolarHBondContact O-CB 3.38Å; F875-A878 PolarHBondContact O-N 3.36Å; P876-A878 PolarHBondContact O-N 2.74Å; A878-S881 PolarHBondContact O-N 3.03Å
879	L	90.9	Very high	89.1	Confident	104 Å²	104	82.9 Å²	82.9	55%	0.545	43%	0.429	S	S	.	.	S	Bend	trans	-64.3	-46.2	174.4	-73.2	163.7	0	0	0	111.1	H872 P876 Q877 S881	H872-L879 HydrophobicContact CB-CD2 3.92Å; H872-L879 HydrophobicContact CB-CG 4.18Å; H872-L879 VanDerWaalsContact CG-CD2 3.5Å; P876-L879 VanDerWaalsContact O-CB 3.29Å; P876-L879 WeakPolarHBondContact O-CB 3.19Å; P876-L879 WeakPolarHBondContact O-CG 3.39Å; P876-L879 PolarHBondContact O-N 3.31Å; Q877-L879 VanDerWaalsContact C-N 3.28Å; Q877-L879 PolarHBondContact O-N 2.57Å; L879-S881 VanDerWaalsContact C-N 3.32Å
880	T	91.7	Very high	87.4	Confident	118 Å²	118	87.6 Å²	87.6	72%	0.724	45%	0.445	S	S	*	.	S	Bend	trans	-79.6	-12.6	178.4	52.5	0	0	0	0	113.4	Q877 N882	Q877-T880 PolarHBondContact O-OG1 3.04Å; T880-N882 PolarHBondContact O-N 3.14Å; T880-N882 VanDerWaalsContact O-N 3.14Å
881	S	89.6	Confident	85.3	Confident	24 Å²	24	85.7 Å²	85.7	17%	0.168	44%	0.443	C	S	.	.			trans	-76.5	99.1	177.1	-49.6	0	0	0	0	111.6	V821 H822 K837 Q877 A878 L879	V821-S881 WeakPolarHBondContact CG2-O 3.42Å; H822-S881 PolarHBondContact CD2-OG 3.07Å; K837-S881 PolarHBondContact NZ-O 3.16Å; Q877-S881 PolarHBondContact O-OG 3.15Å; Q877-S881 VanDerWaalsContact O-OG 3.14Å; A878-S881 PolarHBondContact O-N 3.03Å; L879-S881 VanDerWaalsContact C-N 3.32Å
882	N	88.9	Confident	83.4	Confident	110 Å²	110	91.1 Å²	91.1	59%	0.588	47%	0.47	S	S	*	.			trans	-123.7	-9.8	175.2	64.4	-6.4	0	0	0	113.7	T880	T880-N882 PolarHBondContact O-N 3.14Å; T880-N882 VanDerWaalsContact O-N 3.14Å
883	T	91.4	Very high	81.3	Confident	92 Å²	92	92.6 Å²	92.6	56%	0.564	48%	0.48	S	S	*	.	S	Bend	trans	-80.6	132.9	176	41.8	0	0	0	0	111.3	V821 L885	V821-T883 WeakPolarHBondContact CA-O 3.21Å; T883-L885 PolarHBondContact O-N 3.47Å
884	P	91.1	Very high	79.2	Confident	71 Å²	71	84.8 Å²	84.8	46%	0.461	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-60	133.5	172.4	-29.8	38.4	0	0	0	113.5	D818 I820 L839	D818-P884 VanDerWaalsContact O-CB 3.3Å; D818-P884 WeakPolarHBondContact O-CB 3.45Å; D818-P884 WeakPolarHBondContact O-CG 3.41Å; I820-P884 CarbonylContact O-C 3.56Å; I820-P884 WeakPolarHBondContact O-CA 3.23Å; L839-P884 HydrophobicContact CD1-CG 4.43Å
885	L	89.1	Confident	77.3	Confident	62 Å²	62	79.3 Å²	79.3	33%	0.325	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-87.7	142.9	170.2	-59.8	178.8	0	0	0	109.8	L811 I820 I823 T883	L811-L885 HydrophobicContact CD1-CB 4.25Å; L811-L885 HydrophobicContact CD2-CB 3.84Å; I820-L885 PolarHBondContact O-N 2.82Å; I823-L885 HydrophobicContact CG1-CD1 4.25Å; T883-L885 PolarHBondContact O-N 3.47Å
886	K	85.3	Confident	74.9	Confident	94 Å²	94	80.3 Å²	80.3	41%	0.409	44%	0.436	S	S	.	.			trans	-135.2	149.4	175.8	-76.7	-59.7	-171	-175.6	0	110.8	S815 N817 D818	S815-K886 PolarHBondContact O-NZ 3.2Å; N817-K886 PolarHBondContact O-NZ 3.45Å; D818-K886 VanDerWaalsContact OD1-CE 3.27Å; D818-K886 WeakPolarHBondContact OD1-CE 3.34Å; D818-K886 IonicContact OD1-NZ 2.62Å; D818-K886 PolarHBondContact OD1-NZ 2.81Å
887	P	82.9	Confident	72.4	Confident	23 Å²	23	81.8 Å²	81.8	15%	0.149	44%	0.435	C	S	.	.			trans	-65.6	143.9	176.5	29.6	-34.2	0	0	0	110.2	L811 E812 N889	L811-P887 HydrophobicContact CB-CB 3.94Å; L811-P887 HydrophobicContact CB-CG 4.42Å; E812-P887 HydrophobicContact CG-CB 4.05Å; P887-N889 PolarHBondContact O-N 2.71Å
888	S	71.9	Confident	70.1	Confident	109 Å²	109	79.2 Å²	79.2	76%	0.762	43%	0.425	S	S	*	.	S	Bend	trans	-70.4	-16.6	-179.5	63	0	0	0	0	113.7	E808	E808-S888 WeakPolarHBondContact OE1-CB 3.29Å; E808-S888 PolarHBondContact OE1-N 3.14Å; E808-S888 PolarHBondContact OE1-OG 2.95Å
889	N	64.6	Low	67.7	Low	55 Å²	55	84.2 Å²	84.2	29%	0.294	44%	0.444	S	S	.	.			trans	-124.7	148.5	169.9	-157.7	-23.9	0	0	0	111.1	P887 H891 S894	P887-N889 PolarHBondContact O-N 2.71Å; N889-H891 PolarHBondContact OD1-N 2.98Å; N889-S894 WeakPolarHBondContact CB-OG 3.23Å
890	K	56.6	Low	65.1	Low	203 Å²	203	85.5 Å²	85.5	88%	0.883	45%	0.451	S	S	*	.	S	Bend	trans	-96.2	-20.7	175.8	-64.9	-176.9	-179.9	180	0	113
891	H	50.3	Low	62.4	Low	134 Å²	134	90.8 Å²	90.8	62%	0.62	46%	0.457	S	S	*	.	S	Bend	trans	-84.6	142.9	162.1	-64.1	-89.6	0	0	0	108.3	N889 N893	N889-H891 PolarHBondContact OD1-N 2.98Å; H891-N893 HydrophobicContact CB-CB 4.41Å; H891-N893 PolarHBondContact O-N 2.93Å
892	M	54.2	Low	59.8	Low	114 Å²	114	94.8 Å²	94.8	56%	0.562	48%	0.48	S	S	*	.	S	Bend	trans	-74.1	52.1	-176.9	-58.5	-168.4	78.4	0	0	112.7	E812	E812-M892 HydrophobicContact CB-CE 4.16Å
893	N	51.3	Low	57.1	Low	86 Å²	86	92.5 Å²	92.5	46%	0.46	48%	0.483	S	S	.	.			trans	-121.1	-2	-166.6	-68.7	9.3	0	0	0	111.9	E812 H891 M895 S896	E812-N893 PolarHBondContact OE1-N 3.06Å; H891-N893 HydrophobicContact CB-CB 4.41Å; H891-N893 PolarHBondContact O-N 2.93Å; N893-M895 PolarHBondContact O-N 3.26Å; N893-S896 WeakPolarHBondContact O-CB 3.32Å; N893-S896 PolarHBondContact O-N 3.31Å; N893-S896 PolarHBondContact O-OG 3.36Å
894	S	50.7	Low	54.3	Low	7 Å²	7	95.5 Å²	95.5	5%	0.049	50%	0.495	C	S	.	.	H	α-helix	trans	-59.5	-35.1	-174.8	-45.7	0	0	0	0	111.5	E812 N889 S896 H897 L898	E812-S894 WeakPolarHBondContact OE1-CB 3.2Å; E812-S894 PolarHBondContact OE1-N 3.24Å; E812-S894 PolarHBondContact OE1-OG 2.97Å; N889-S894 WeakPolarHBondContact CB-OG 3.23Å; S894-S896 PolarHBondContact O-N 2.67Å; S894-H897 PolarHBondContact O-N 3.2Å; S894-H897 VanDerWaalsContact O-N 3.15Å; S894-L898 PolarHBondContact O-N 2.74Å
895	M	52.7	Low	51.5	Low	23 Å²	23	99 Å²	99	11%	0.113	52%	0.515	C	S	.	.	H	α-helix	trans	-68.7	-11.6	176.8	-58.8	-57.6	-84.8	0	0	114.7	K763 A805 A809 F856 N893	K763-M895 HydrophobicContact CB-CE 3.75Å; K763-M895 HydrophobicContact CD-CE 4.27Å; K763-M895 HydrophobicContact CG-CE 4.26Å; A805-M895 HydrophobicContact CB-CE 3.76Å; A805-M895 HydrophobicContact CB-SD 3.81Å; A805-M895 WeakPolarHBondContact O-CE 3.4Å; A809-M895 HydrophobicContact CB-CE 4.22Å; A809-M895 HydrophobicContact CB-SD 4.31Å; F856-M895 HydrophobicContact CZ-CE 4.32Å; N893-M895 PolarHBondContact O-N 3.26Å
896	S	43.4	Very low	48.7	Very low	50 Å²	50	103.1 Å²	103.1	35%	0.35	54%	0.538	S	S	.	.	H	α-helix	trans	-86.5	-34.1	169.5	72.4	0	0	0	0	112.6	N893 S894	N893-S896 WeakPolarHBondContact O-CB 3.32Å; N893-S896 PolarHBondContact O-N 3.31Å; N893-S896 PolarHBondContact O-OG 3.36Å; S894-S896 PolarHBondContact O-N 2.67Å
897	H	40.8	Very low	46.3	Very low	116 Å²	116	103.9 Å²	103.9	54%	0.537	56%	0.555	S	S	.	*	H	α-helix	trans	-88.2	-20.8	-169.6	-105.7	-89.3	0	0	0	115	S894 R899 L900	S894-H897 PolarHBondContact O-N 3.2Å; S894-H897 VanDerWaalsContact O-N 3.15Å; H897-R899 PolarHBondContact O-N 3.43Å; H897-L900 PolarHBondContact O-N 3.41Å
898	L	42.1	Very low	43.8	Very low	69 Å²	69	112.2 Å²	112.2	36%	0.361	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	-11.8	-175.8	-94.7	162.3	0	0	0	115.1	A805 S894	A805-L898 HydrophobicContact CB-CD1 3.65Å; S894-L898 PolarHBondContact O-N 2.74Å
899	R	43.2	Very low	41.8	Very low	105 Å²	105	110.8 Å²	110.8	40%	0.396	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-12.5	174.7	-58.9	-175.2	-171	116.3	3.7	114.4	I760 P761 H897	I760-R899 VanDerWaalsContact CG2-NH2 3.32Å; I760-R899 PolarHBondContact O-NH2 2.83Å; P761-R899 PolarHBondContact O-NH2 3.03Å; P761-R899 VanDerWaalsContact O-NH2 3.14Å; H897-R899 PolarHBondContact O-N 3.43Å
900	L	35.4	Very low	40.2	Very low	131 Å²	131	113.4 Å²	113.4	69%	0.686	62%	0.616	S	S	*	*	S	Bend	trans	-90.7	-10	-178.5	-75.7	166.5	0	0	0	113.9	H897	H897-L900 PolarHBondContact O-N 3.41Å
901	R	35.5	Very low	39	Very low	229 Å²	229	113.6 Å²	113.6	86%	0.864	64%	0.644	S	S	*	*	S	Bend	trans	-97.5	-4.4	-173.8	-140.8	173.1	-170.5	164.4	3	114.9
902	T	34.8	Very low	38.5	Very low	107 Å²	107	112.6 Å²	112.6	66%	0.656	65%	0.645	S	S	*	*	S	Bend	trans	-92.9	6.5	176.7	47.6	0	0	0	0	113.6
903	G	32.5	Very low	37.6	Very low	62 Å²	62	112.5 Å²	112.5	64%	0.639	65%	0.649	S	S	*	*	S	Bend	trans	-135.9	34.8	-167.3	0	0	0	0	0	115.7
904	L	32.7	Very low	36.9	Very low	155 Å²	155	114 Å²	114	81%	0.812	66%	0.66	S	S	*	*			trans	-159.6	77.6	168.1	-113.3	163.7	0	0	0	112.5
905	T	31.2	Very low	36.1	Very low	145 Å²	145	120.3 Å²	120.3	89%	0.89	70%	0.695	S	S	*	*			trans	-119.7	75.6	159.2	55.7	0	0	0	0	109
906	N	30.5	Very low	35	Very low	149 Å²	149	126.4 Å²	126.4	80%	0.797	73%	0.732	S	S	*	*			trans	-145.4	152.3	162.5	-116	-14.6	0	0	0	109.3
907	S	34.3	Very low	34.5	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	76%	0.757	S	S	*	*			trans	-78.1	136.1	-160.5	43.7	0	0	0	0	114.7
908	Q	30.1	Very low	34	Very low	198 Å²	198	132.6 Å²	132.6	93%	0.925	77%	0.773	S	S	*	*			trans	-131.5	120.1	134.1	-77	-165.4	-24.5	0	0	108.7
909	G	30.2	Very low	33.4	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	81%	0.805	S	S	*	*			trans	-117.4	140.8	158.9	0	0	0	0	0	107.6
910	S	32.5	Very low	32.6	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	84%	0.839	S	S	*	*			trans	-154.5	116.9	177.6	57.3	0	0	0	0	109.1
911	S	31.4	Very low	32.3	Very low	208 Å²	208	141 Å²	141	100%	1.455	85%	0.853	S	S	*	*			trans	68.7	0	-165.3	-61.6	0	0	0	0	114.3

Retrieved 911 of 911 residues in 355.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).