A0A087YMI9_POEFO Loading...

DNA helicase

DNA helicase that possesses intrinsic ATP-dependent nucleosome-remodeling activity and is both required for DNA repair and heterochromatin organization. Promotes DNA end resection of double-strand breaks (DSBs) following DNA damage: probably acts by weakening histone DNA interactions in nucleosomes flanking DSBs. Required for the restoration of heterochromatin organization after replication.

AlphaFold DB , UniProt , Accession A0A087YMI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,090 aa.

						>A0A087YMI9_POEFO|A0A087YMI9
MSMFNLDRFRFEKKGANKDPGCVSKSPDSEKENEPAQMKSFKAKAKSLARGVVFEEVITIDLEEDDIMAEPNTKIQITSKSKSSVQKLPKGVAPLHTEDEEMDEKINKLLELFPQLSRTEAVEVSGSTSTLEGAIAVCLLRFGDKEAPNDGKKRKQDGSSCSQDSGDIQPSKKRKPSLVSDEEGEGEEPSWEKQEAMVKKLQKRFPDQDKEELRMVLQEHNWDVEEALQVLQMFSESDNSSTSLVIPEEQKSKGKAESTRNYSEDNSETDRMSTDTENSSADSDNSEKPKPKRKQRSTRDYKDSNVQKSTERKIEAHHEDPKDHRDVDKADGNSTDNTKDSEDESEPEDTKVSKLNTSIHTMHSQIAFLSCSRMRTSTSSTSKPSPSSSASQVLPKFSSDTGLAKKQAAERKKKARAAEEQVSSDDDDDEEDVVTSEFEDSDDELESINVKKDVKDEILAFFQDASIDELSLISGCSVKKAQRIVELRPFDSWESLWDVFHKGNGLSDDLMHGCKVVLKERKVILGLMSKCQTISTKMVKRVTEVMESGTGSTKQPSLLNSQLQLKPYQLIGLKWLMLLNEHKLSGILADEMGLGKTIQAIAFLAQLYENGIEGPHLITVPSSTLDNWVRELRLWCPALEVLIYYGSVEERRYLKHDILNGEVHFNVIVTTYNLAIGNDSDRSLFRKLPIKYAIFDEGHMLKNMNTLRYRHLMAINAEHRLLLTGTPLQNNLLELMSLLNFIMPTMFSSSTMQLSKMFSMKSHEEQSRFERDRINQAKLIMKPFILRRVKNEVLKQLPAKEEKIEFCSMSEKQQVLYEALLKKLKSTTNGEKRELCNVMMQLRKMANHPLLHRQYYTTEKLQAMSQLMLKEPTHHDASAALIQEDMEVMSDFELHRLCQQYSSIGSFQLDTSLLLDSGKFLHLKELLASLRSQGDRVVLFSQFTMMLDIVEVLLKHLQHRYVRLDGSTPIADRIVLIDEYNTDPDIFVFLLSTRAGGLGINLTSANVVILHDIDYNPYNDKQAEDRCHRVGQTRTVQVIKLISKDSIEDCILQLGQKKLKLEQDMTAADQDDEGSIPEDMASLLKASLGL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	39.5	Very low	208 Å²	208	100.4 Å²	100.4	100%	1.025	48%	0.478	S	S	*	.				0	84	0	-174.5	-169.9	-65.7	0	0	109.8
2	S	25.4	Very low	39.2	Very low	72 Å²	72	105.2 Å²	105.2	50%	0.503	50%	0.5	S	S	.	.			trans	-130.4	135.4	160.2	-176.7	0	0	0	0	106.6	F4	S2-F4 PolarHBondContact OG-N 3.17Å; S2-F4 PolarHBondContact OG-O 3.45Å
3	M	40.1	Very low	39.1	Very low	76 Å²	76	112 Å²	112	37%	0.374	53%	0.526	S	S	.	.	S	Bend	trans	-94.9	-8.8	172.8	-78	179.1	159.5	0	0	112.6	M889 L897	M3-M889 HydrophobicContact SD-CE 4.31Å; M3-L897 HydrophobicContact CB-CD1 4.46Å
4	F	43.1	Very low	38.8	Very low	9 Å²	9	119.4 Å²	119.4	4%	0.039	56%	0.556	C	S	.	*	S	Bend	trans	-109	138.6	176.2	-74.8	-65.8	0	0	0	110.5	S2 L6 F9 M868 H874 I882 D885 M886 L897 Y901	S2-F4 PolarHBondContact OG-N 3.17Å; S2-F4 PolarHBondContact OG-O 3.45Å; F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.31Å; F4-F9 HydrophobicContact CB-CE2 4.18Å; F4-F9 HydrophobicContact CD1-CE2 4.21Å; F4-F9 HydrophobicContact CD1-CZ 4.21Å; F4-M868 HydrophobicContact CE2-SD 4.15Å; F4-M868 HydrophobicContact CZ-SD 4.16Å; F4-H874 AromaticContact CD2-CE1 3.43Å; F4-H874 VanDerWaalsContact CD2-CE1 3.43Å; F4-H874 WeakPolarHBondContact CD2-CE1 3.25Å; F4-H874 AromaticContact CD2-NE2 3.15Å; F4-H874 WeakPolarHBondContact CD2-NE2 3.32Å; F4-H874 AromaticContact CE2-CE1 3.85Å; F4-H874 AromaticContact CE2-NE2 3.8Å; F4-H874 AromaticContact CG-NE2 3.43Å; F4-H874 WeakPolarHBondContact CG-NE2 3.32Å; F4-I882 HydrophobicContact CE1-CG2 4.17Å; F4-I882 HydrophobicContact CZ-CG2 4.17Å; F4-D885 HydrophobicContact CD1-CB 4.23Å; F4-D885 HydrophobicContact CE1-CB 4.15Å; F4-M886 HydrophobicContact CZ-CE 4.24Å; F4-L897 HydrophobicContact CD2-CD1 4.47Å; F4-L897 HydrophobicContact CE2-CD1 3.8Å; F4-L897 HydrophobicContact CE2-CD2 4.12Å; F4-L897 HydrophobicContact CE2-CG 4.39Å; F4-L897 HydrophobicContact CZ-CD1 4.3Å; F4-L897 HydrophobicContact CZ-CD2 3.84Å; F4-Y901 HydrophobicContact CD2-CE2 4.46Å; F4-Y901 HydrophobicContact CE2-CE2 4.12Å
5	N	41.8	Very low	38.2	Very low	109 Å²	109	116.1 Å²	116.1	58%	0.583	57%	0.567	S	S	*	*			trans	-80.5	80.5	174.1	-166.9	-8.1	0	0	0	109.1	D7 R8 F9	N5-D7 PolarHBondContact O-N 3.26Å; N5-R8 HydrophobicContact CB-CB 4.48Å; N5-R8 VanDerWaalsContact O-CB 3.25Å; N5-R8 WeakPolarHBondContact O-CB 3.38Å; N5-R8 PolarHBondContact O-N 3.44Å; N5-F9 WeakPolarHBondContact O-CD2 3.34Å
6	L	39.7	Very low	37.7	Very low	64 Å²	64	115.1 Å²	115.1	34%	0.335	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-56.8	-26.1	-165.3	-80	165.5	0	0	0	114.6	F4 F9	F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.31Å; L6-F9 PolarHBondContact O-N 3.11Å
7	D	40.5	Very low	37.3	Very low	94 Å²	94	117.6 Å²	117.6	50%	0.503	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-80.5	-21	-180	-62.1	-57.1	0	0	0	113.4	N5 F9 R10	N5-D7 PolarHBondContact O-N 3.26Å; D7-F9 PolarHBondContact O-N 3.41Å; D7-R10 PolarHBondContact O-N 3.12Å; D7-R10 IonicContact OD1-CZ 2.77Å; D7-R10 IonicContact OD1-NH1 2.74Å; D7-R10 PolarHBondContact OD1-NH1 3.32Å
8	R	45.9	Very low	37	Very low	104 Å²	104	121.7 Å²	121.7	39%	0.392	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-57.1	-30.2	168.6	-166.9	-178.4	-171.4	-142	-7.9	111.7	N5 E884 D885	N5-R8 HydrophobicContact CB-CB 4.48Å; N5-R8 VanDerWaalsContact O-CB 3.25Å; N5-R8 WeakPolarHBondContact O-CB 3.38Å; N5-R8 PolarHBondContact O-N 3.44Å; R8-E884 IonicContact CZ-OE2 2.71Å; R8-E884 IonicContact NH1-OE2 2.7Å; R8-E884 PolarHBondContact NH1-OE2 3.42Å; R8-E884 VanDerWaalsContact NH1-OE2 3.11Å; R8-E884 IonicContact NH2-OE2 2.7Å; R8-E884 PolarHBondContact NH2-OE2 2.92Å; R8-D885 IonicContact CZ-OD1 3.45Å; R8-D885 IonicContact NH1-OD1 3.86Å; R8-D885 PolarHBondContact NH1-OD1 2.88Å
9	F	43.8	Very low	36.7	Very low	16 Å²	16	123.9 Å²	123.9	7%	0.07	63%	0.625	C	S	.	*	G	3₁₀ helix	trans	-87.9	-6.4	-173.1	-62.8	-70.3	0	0	0	115.3	F4 N5 L6 D7 A877 L881 I882 D885	F4-F9 HydrophobicContact CB-CE2 4.18Å; F4-F9 HydrophobicContact CD1-CE2 4.21Å; F4-F9 HydrophobicContact CD1-CZ 4.21Å; N5-F9 WeakPolarHBondContact O-CD2 3.34Å; L6-F9 PolarHBondContact O-N 3.11Å; D7-F9 PolarHBondContact O-N 3.41Å; F9-A877 HydrophobicContact CB-CB 3.83Å; F9-A877 HydrophobicContact CD1-CB 3.37Å; F9-A877 HydrophobicContact CE1-CB 4.1Å; F9-A877 HydrophobicContact CG-CB 3.74Å; F9-L881 HydrophobicContact CD1-CB 4.07Å; F9-L881 HydrophobicContact CD1-CD1 4.36Å; F9-L881 HydrophobicContact CE1-CB 3.57Å; F9-I882 HydrophobicContact CD1-CG1 4.32Å; F9-I882 HydrophobicContact CE1-CB 4.45Å; F9-I882 HydrophobicContact CE1-CG1 3.52Å; F9-I882 HydrophobicContact CZ-CG1 3.92Å; F9-D885 WeakPolarHBondContact CZ-OD2 3.32Å
10	R	41.4	Very low	36.9	Very low	174 Å²	174	123.9 Å²	123.9	66%	0.657	63%	0.634	S	S	*	*	S	Bend	trans	-93.9	-9.7	-170.4	-76.2	176.2	165.3	162.4	-7.1	115.9	D7	D7-R10 PolarHBondContact O-N 3.12Å; D7-R10 IonicContact OD1-CZ 2.77Å; D7-R10 IonicContact OD1-NH1 2.74Å; D7-R10 PolarHBondContact OD1-NH1 3.32Å
11	F	40.3	Very low	36.4	Very low	178 Å²	178	121.5 Å²	121.5	78%	0.781	64%	0.64	S	S	*	*			trans	-111.3	4.8	-160.2	-85.6	-80.5	0	0	0	118
12	E	36.3	Very low	36	Very low	158 Å²	158	117.4 Å²	117.4	74%	0.738	63%	0.631	S	S	*	*			trans	-106	62.6	178.7	-69.7	-150.7	116.9	0	0	115.1
13	K	36.9	Very low	36.1	Very low	194 Å²	194	119.9 Å²	119.9	84%	0.843	64%	0.642	S	S	*	*			trans	-152.5	40.6	169.9	-129.8	162.1	-166.6	162.3	0	118.1
14	K	35.4	Very low	35.5	Very low	216 Å²	216	121 Å²	121	94%	0.939	66%	0.657	S	S	*	*			trans	-135.9	75.7	169.8	-74.5	-177.5	-179.4	166.8	0	113.1
15	G	30.2	Very low	34.8	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	70%	0.697	S	S	*	*			trans	-164.5	119.7	172	0	0	0	0	0	113.4
16	A	30.2	Very low	34.1	Very low	99 Å²	99	129.8 Å²	129.8	82%	0.818	70%	0.703	S	S	*	*			trans	60.5	150.7	175.3	0	0	0	0	0	116.7
17	N	29.8	Very low	34.1	Very low	159 Å²	159	132.8 Å²	132.8	85%	0.85	73%	0.726	S	S	*	*			cis	-142.4	155.6	-11.9	-139.8	-5.4	0	0	0	110.9
18	K	32.3	Very low	33.5	Very low	191 Å²	191	135.4 Å²	135.4	83%	0.83	74%	0.74	S	S	*	*			trans	-100.6	140.8	167.7	-76.2	179.3	176.8	174.4	0	109.4
19	D	31.2	Very low	32.7	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	76%	0.759	S	S	*	*			trans	-160.4	161.5	133.5	-111.4	-12.6	0	0	0	111.5
20	P	41.8	Very low	32	Very low	123 Å²	123	142.6 Å²	142.6	80%	0.799	79%	0.791	S	S	*	*			trans	-102.7	151	-159.5	37.8	-36.2	0	0	0	115.5
21	G	25.9	Very low	31.4	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	79%	0.787	S	S	*	*			trans	-172.3	103.2	171.2	0	0	0	0	0	117.3
22	C	24.1	Very low	30.9	Very low	122 Å²	122	139.2 Å²	139.2	82%	0.824	78%	0.783	S	S	*	*			trans	56.9	109	148.8	-119.1	0	0	0	0	122.5
23	V	27.1	Very low	30.6	Very low	124 Å²	124	139.3 Å²	139.3	75%	0.752	79%	0.789	S	S	*	*				47.9	107.3	120.3	179.6	0	0	0	0	116.9
24	S	27	Very low	30.3	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	79%	0.789	S	S	*	*				173.4	155.7	70.8	35.5	0	0	0	0	115
25	K	28.5	Very low	30.4	Very low	201 Å²	201	133.3 Å²	133.3	87%	0.874	78%	0.776	S	S	*	*			trans	56.3	120	145.7	-70.2	175.3	179.4	-179.3	0	121.3
26	S	27	Very low	30.2	Very low	102 Å²	102	135 Å²	135	71%	0.713	78%	0.784	S	S	*	*			trans	-58.4	168.2	149.5	-35.6	0	0	0	0	112.3
27	P	40.5	Very low	30.1	Very low	127 Å²	127	138.8 Å²	138.8	83%	0.825	78%	0.784	S	S	*	*				-135.1	166.2	97.2	39.7	-31.6	0	0	0	115
28	D	27.7	Very low	29.9	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	78%	0.783	S	S	*	*			trans	-85.9	148.9	-177.3	-42.5	-100.2	0	0	0	113.8
29	S	29.2	Very low	29.5	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	78%	0.778	S	S	*	*			trans	-171.3	106.5	143.6	56.1	0	0	0	0	108.5
30	E	29.3	Very low	29.1	Very low	158 Å²	158	135.1 Å²	135.1	74%	0.738	77%	0.77	S	S	*	*				80.7	127.4	69.9	-84.8	-135.7	118.3	0	0	115.8
31	K	29.6	Very low	28.3	Very low	133 Å²	133	139 Å²	139	58%	0.578	78%	0.775	S	S	*	*			trans	88.9	110.8	149.4	-70.7	-179	169	66.3	0	122.5
32	E	28.4	Very low	28.3	Very low	148 Å²	148	143.7 Å²	143.7	69%	0.692	77%	0.774	S	S	*	*				62.8	109.7	120.2	-62.1	161.2	-165.2	0	0	119.8
33	N	29.9	Very low	28.4	Very low	161 Å²	161	142.9 Å²	142.9	86%	0.861	78%	0.776	S	S	*	*				-164.3	163.4	88	-104.8	-77.6	0	0	0	113.7
34	E	31.3	Very low	28.2	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	78%	0.777	S	S	*	*			trans	-111.5	-166.4	-176.6	-139.3	-161.9	-141.1	0	0	111.2
35	P	38	Very low	28.1	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	79%	0.786	S	S	*	*				-112	165.6	-124.7	38.5	-22.6	0	0	0	115.5
36	A	25.5	Very low	28	Very low	106 Å²	106	144.3 Å²	144.3	88%	0.876	78%	0.78	S	S	*	*			trans	-111.4	120	172	0	0	0	0	0	112
37	Q	27	Very low	28	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	79%	0.787	S	S	*	*			trans	-93.6	139.9	171.2	-59.4	177	-2.5	0	0	110.9
38	M	25.9	Very low	27.2	Very low	169 Å²	169	146.3 Å²	146.3	83%	0.833	78%	0.784	S	S	*	*			trans	174.8	154.3	142.7	-96.4	-155.4	-160.2	0	0	110.3
39	K	25.4	Very low	27.1	Very low	167 Å²	167	144 Å²	144	73%	0.726	79%	0.786	S	S	*	*			cis	-161.5	140	-36.2	-125.7	178.6	-167	172.7	0	106.7
40	S	22.8	Very low	26.9	Very low	101 Å²	101	150.5 Å²	150.5	71%	0.706	79%	0.793	S	S	*	*			trans	-81.8	148	178.3	54.4	0	0	0	0	112.4
41	F	24.5	Very low	26.7	Very low	204 Å²	204	146.6 Å²	146.6	90%	0.895	80%	0.795	S	S	*	*			trans	-125	148.4	158.9	-102.9	-86	0	0	0	110.3
42	K	26.3	Very low	26.5	Very low	173 Å²	173	146.3 Å²	146.3	75%	0.752	81%	0.805	S	S	*	*			trans	-122.4	140	-176	-71.4	167.8	176.3	161.3	0	109.7
43	A	24.6	Very low	26.3	Very low	105 Å²	105	145.7 Å²	145.7	87%	0.868	81%	0.811	S	S	*	*			trans	-121.7	151.3	145.8	0	0	0	0	0	107.8
44	K	24.7	Very low	26.1	Very low	175 Å²	175	145.7 Å²	145.7	76%	0.761	80%	0.803	S	S	*	*			trans	-130	141.3	179.8	-74.7	178.3	176	172.9	0	109.9
45	A	25.1	Very low	25.8	Very low	105 Å²	105	146 Å²	146	87%	0.868	81%	0.805	S	S	*	*			trans	-120.7	157.7	139.6	0	0	0	0	0	108.2
46	K	25.6	Very low	25.1	Very low	173 Å²	173	149.9 Å²	149.9	75%	0.752	81%	0.814	S	S	*	*			trans	-133.8	139.1	177.9	-90.7	-170.6	170	-167.7	0	109.4	L48	K46-L48 HydrophobicContact CD-CD1 4.29Å
47	S	26.2	Very low	25.2	Very low	124 Å²	124	151.3 Å²	151.3	87%	0.867	81%	0.811	S	S	*	*			trans	-142.2	157.4	138.2	52.2	0	0	0	0	107.9
48	L	24.6	Very low	25	Very low	147 Å²	147	150 Å²	150	77%	0.77	81%	0.809	S	S	*	*			trans	-116.8	135.3	-176.7	-83.7	74.8	0	0	0	110.3	K46	K46-L48 HydrophobicContact CD-CD1 4.29Å
49	A	26.3	Very low	24.9	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	81%	0.805	S	S	*	*			trans	-139.5	147.8	142.3	0	0	0	0	0	107.4
50	R	24.9	Very low	24.8	Very low	249 Å²	249	146.8 Å²	146.8	94%	0.94	81%	0.806	S	S	*	*			trans	-93.1	117.3	178.4	-83.5	175	161.9	159.5	-10	109.5
51	G	23.3	Very low	24.9	Very low	76 Å²	76	149.3 Å²	149.3	78%	0.784	81%	0.812	S	S	*	*			trans	-81.5	152.7	156.1	0	0	0	0	0	110.6
52	V	25.6	Very low	25	Very low	127 Å²	127	146.7 Å²	146.7	77%	0.77	81%	0.806	S	S	*	*			trans	-104.9	139.3	162.6	175.8	0	0	0	0	106.8
53	V	24	Very low	25	Very low	135 Å²	135	145.8 Å²	145.8	82%	0.818	81%	0.805	S	S	*	*			trans	-80.3	136	178.2	-179.8	0	0	0	0	108.7
54	F	25.8	Very low	25.2	Very low	161 Å²	161	149.1 Å²	149.1	71%	0.706	80%	0.802	S	S	*	*			trans	-112.2	144.6	164.6	-85.2	-84.3	0	0	0	109.2
55	E	26.3	Very low	25.4	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	81%	0.805	S	S	*	*			trans	-100.1	153.9	-169.1	-156.3	149.9	-139.3	0	0	111	V57	E55-V57 PolarHBondContact O-N 3.23Å
56	E	23.7	Very low	25.5	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	79%	0.785	S	S	*	*			trans	-74.5	124.8	-168.6	-62.7	-177.8	135.6	0	0	111.8
57	V	25.7	Very low	25.5	Very low	135 Å²	135	146.4 Å²	146.4	82%	0.818	79%	0.788	S	S	*	*			trans	-107.8	117.6	169.9	178.5	0	0	0	0	109.3	E55 T59	E55-V57 PolarHBondContact O-N 3.23Å; V57-T59 PolarHBondContact O-N 3.42Å
58	I	23.4	Very low	25.6	Very low	150 Å²	150	147.3 Å²	147.3	77%	0.769	78%	0.78	S	S	*	*			trans	-71	117	-177.9	-56.2	175.4	0	0	0	109.8	I60	I58-I60 HydrophobicContact CG2-CG1 4.28Å
59	T	23.3	Very low	25.6	Very low	125 Å²	125	144.6 Å²	144.6	77%	0.767	78%	0.779	S	S	*	*			trans	-85.5	109.1	166.9	49.9	0	0	0	0	109.7	V57	V57-T59 PolarHBondContact O-N 3.42Å
60	I	24.5	Very low	25.6	Very low	144 Å²	144	147.5 Å²	147.5	74%	0.738	78%	0.776	S	S	*	*			trans	-78.9	125.8	172.6	-64.8	171.4	0	0	0	109.1	I58 L62	I58-I60 HydrophobicContact CG2-CG1 4.28Å; I60-L62 PolarHBondContact O-N 3.39Å
61	D	23.5	Very low	25.8	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	76%	0.762	S	S	*	*			trans	-81.2	108.7	177.2	-78.5	-51.2	0	0	0	111.3
62	L	26.6	Very low	25.9	Very low	149 Å²	149	143.8 Å²	143.8	78%	0.78	76%	0.762	S	S	*	*			trans	-141.7	101	162.9	-74.8	180	0	0	0	111.5	I60	I60-L62 PolarHBondContact O-N 3.39Å
63	E	26.8	Very low	25.8	Very low	154 Å²	154	143.7 Å²	143.7	72%	0.72	76%	0.762	S	S	*	*			trans	-126.7	86.8	154.2	-76.2	-165.2	134.1	0	0	108	R708	E63-R708 IonicContact OE1-CZ 3.14Å; E63-R708 VanDerWaalsContact OE1-CZ 3.23Å; E63-R708 IonicContact OE1-NH1 3.05Å; E63-R708 PolarHBondContact OE1-NH1 3.05Å; E63-R708 IonicContact OE1-NH2 2.87Å; E63-R708 PolarHBondContact OE1-NH2 3.35Å
64	E	28.3	Very low	25.9	Very low	174 Å²	174	147 Å²	147	81%	0.813	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-88.9	138.5	159.2	-71	-150.1	131.2	0	0	109.5
65	D	29.2	Very low	25.9	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-86.5	151.6	-172.8	-104.8	-41.3	0	0	0	113.8	I67	D65-I67 PolarHBondContact O-N 2.76Å
66	D	27.6	Very low	25.7	Very low	83 Å²	83	146.2 Å²	146.2	44%	0.444	77%	0.767	S	S	.	*	P	Polyproline II helix	trans	-47.7	122.6	-177.5	-77.5	-35	0	0	0	114.8	N703	D66-N703 PolarHBondContact OD2-ND2 3.02Å
67	I	26.8	Very low	25.7	Very low	158 Å²	158	144.5 Å²	144.5	81%	0.81	76%	0.762	S	S	*	*			trans	-125.9	84.7	151.2	-54.3	-177.1	0	0	0	109.1	D65	D65-I67 PolarHBondContact O-N 2.76Å
68	M	26.6	Very low	25.5	Very low	143 Å²	143	144.5 Å²	144.5	70%	0.704	76%	0.763	S	S	*	*			trans	-73.3	136.3	171.6	-78.4	-74	-67.2	0	0	111.6
69	A	25.3	Very low	25.5	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	76%	0.763	S	S	*	*			trans	-105.6	144.4	163	0	0	0	0	0	110.4
70	E	26.8	Very low	25.5	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	77%	0.769	S	S	*	*			trans	-129.3	-175	159.2	-44.3	-163.8	140	0	0	109.2
71	P	29.2	Very low	25.4	Very low	101 Å²	101	144.2 Å²	144.2	66%	0.656	77%	0.766	S	S	*	*				-114.8	161.2	-123.4	13.7	12	0	0	0	113
72	N	23.9	Very low	25.4	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	77%	0.767	S	S	*	*				176.8	129.9	109.9	-99	-79.2	0	0	0	111.6
73	T	25.1	Very low	25.2	Very low	125 Å²	125	144.3 Å²	144.3	77%	0.767	77%	0.767	S	S	*	*			trans	-64	130.1	154.3	35.2	0	0	0	0	110.1
74	K	25	Very low	25.1	Very low	203 Å²	203	142.1 Å²	142.1	88%	0.883	77%	0.768	S	S	*	*			trans	-149.6	99.3	145.5	-123.3	161.7	-169.1	166.5	0	113	Q76	K74-Q76 PolarHBondContact O-N 3.02Å
75	I	26	Very low	25	Very low	145 Å²	145	140.1 Å²	140.1	74%	0.744	77%	0.768	S	S	*	*			trans	-58.1	129	171.9	-61.8	160.6	0	0	0	109.3	I77	I75-I77 HydrophobicContact CG2-CG1 4.12Å
76	Q	21.8	Very low	24.8	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	76%	0.764	S	S	*	*			trans	-90.8	114.2	158.1	-79.5	-161.9	-2.6	0	0	109.7	K74 T78	K74-Q76 PolarHBondContact O-N 3.02Å; Q76-T78 PolarHBondContact O-N 3.01Å
77	I	23.5	Very low	24.8	Very low	150 Å²	150	145.2 Å²	145.2	77%	0.769	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-76.7	118.1	170.9	-62.6	174.1	0	0	0	108.2	I75	I75-I77 HydrophobicContact CG2-CG1 4.12Å
78	T	23.1	Very low	24.5	Very low	136 Å²	136	145.5 Å²	145.5	83%	0.834	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.1	132.8	165	50.2	0	0	0	0	109.6	Q76	Q76-T78 PolarHBondContact O-N 3.01Å
79	S	22	Very low	24.9	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-85.6	147.8	-163.2	59.6	0	0	0	0	114
80	K	23.5	Very low	24.9	Very low	204 Å²	204	149.4 Å²	149.4	89%	0.887	79%	0.79	S	S	*	*			trans	-144.3	108.4	156.7	-109.2	170.6	-171.6	172.4	0	113.8
81	S	23.2	Very low	24.7	Very low	97 Å²	97	145 Å²	145	68%	0.678	79%	0.789	S	S	*	*			trans	63.3	103.7	144.9	54.6	0	0	0	0	123.1
82	K	23.7	Very low	24.6	Very low	194 Å²	194	147.8 Å²	147.8	84%	0.843	80%	0.804	S	S	*	*				89.8	132.7	118.2	-69.3	-178.7	177.4	-178.5	0	122.1
83	S	22.8	Very low	25.2	Very low	111 Å²	111	145 Å²	145	78%	0.776	80%	0.801	S	S	*	*			trans	66.4	142.8	149.7	41.3	0	0	0	0	120.1
84	S	24.2	Very low	25.6	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	79%	0.794	S	S	*	*			cis	-168.9	130.6	-15.2	47.4	0	0	0	0	113.6
85	V	24.9	Very low	26.4	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	79%	0.792	S	S	*	*			trans	25.1	116.1	147.3	-169.5	0	0	0	0	119.7
86	Q	26.6	Very low	26.7	Very low	163 Å²	163	141 Å²	141	76%	0.762	79%	0.785	S	S	*	*				-171.6	129.1	122.1	-106.9	175.3	97.2	0	0	117
87	K	26.2	Very low	28	Very low	183 Å²	183	137.5 Å²	137.5	80%	0.796	78%	0.777	S	S	*	*			trans	50.3	126.9	141.2	-69.9	176.3	178.4	173.3	0	124.1
88	L	21.4	Very low	29.3	Very low	163 Å²	163	137.7 Å²	137.7	85%	0.853	78%	0.775	S	S	*	*			trans	-56.3	169.9	149.6	-74.3	129.9	0	0	0	113.3
89	P	35.6	Very low	30.9	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	76%	0.759	S	S	*	*			cis	-146.7	167.1	25.5	42.8	-23.3	0	0	0	120.4
90	K	24.7	Very low	32.9	Very low	209 Å²	209	138 Å²	138	91%	0.909	76%	0.757	S	S	*	*			trans	51.4	118.7	145.9	-71.8	178.7	177.1	-174.4	0	121
91	G	23.3	Very low	35	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	74%	0.74	S	S	*	*				134.2	147.2	126	0	0	0	0	0	117.5
92	V	26	Very low	37.4	Very low	159 Å²	159	132 Å²	132	96%	0.964	72%	0.723	S	S	*	*			trans	72.6	150.7	176	-167.4	0	0	0	0	114.4
93	A	37.7	Very low	40	Very low	87 Å²	87	126.4 Å²	126.4	72%	0.719	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-97.3	161.2	-167.8	0	0	0	0	0	113.2
94	P	31.9	Very low	42.8	Very low	95 Å²	95	126.2 Å²	126.2	62%	0.617	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-98.6	131.6	169.1	17	1.6	0	0	0	112.9	H96	P94-H96 WeakPolarHBondContact CB-CD2 3.35Å
95	L	42.9	Very low	45.4	Very low	162 Å²	162	122.8 Å²	122.8	85%	0.848	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-80.3	133.7	135.5	-78.6	68.9	0	0	0	106
96	H	32.8	Very low	48.2	Very low	131 Å²	131	117 Å²	117	61%	0.606	63%	0.625	S	S	*	*			trans	-143.6	93.2	163.1	-76.5	-61.2	0	0	0	108.9	P94 D99	P94-H96 WeakPolarHBondContact CB-CD2 3.35Å; H96-D99 IonicContact CE1-OD2 2.78Å; H96-D99 PolarHBondContact CE1-OD2 2.93Å; H96-D99 IonicContact CG-OD2 3.11Å; H96-D99 IonicContact ND1-OD2 3.88Å; H96-D99 PolarHBondContact ND1-OD2 3.27Å
97	T	48	Very low	50.8	Low	114 Å²	114	112.7 Å²	112.7	70%	0.699	61%	0.607	S	S	*	*	S	Bend	trans	-128	-5.1	166	50.9	0	0	0	0	112.1
98	E	51.6	Low	53.4	Low	154 Å²	154	108 Å²	108	72%	0.72	59%	0.587	S	S	*	*	S	Bend	trans	-96.5	-30.9	-176.4	-60.1	-174.3	158.6	0	0	112.2	M102	E98-M102 WeakPolarHBondContact O-CG 2.97Å; E98-M102 PolarHBondContact O-N 3.12Å; E98-M102 VanDerWaalsContact O-N 3.1Å
99	D	56.2	Low	56.2	Low	95 Å²	95	100.2 Å²	100.2	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-69.7	-38.5	-179.5	-62	-77.4	0	0	0	113.1	H96 M102 D103	H96-D99 IonicContact CE1-OD2 2.78Å; H96-D99 PolarHBondContact CE1-OD2 2.93Å; H96-D99 IonicContact CG-OD2 3.11Å; H96-D99 IonicContact ND1-OD2 3.88Å; H96-D99 PolarHBondContact ND1-OD2 3.27Å; D99-M102 PolarHBondContact O-N 3.4Å; D99-D103 PolarHBondContact O-N 3.09Å
100	E	63.3	Low	58.4	Low	158 Å²	158	96.9 Å²	96.9	74%	0.738	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-39.5	177.2	-66.4	-170.1	150	0	0	111.7	M102 D103 E104	E100-M102 VanDerWaalsContact C-N 3.31Å; E100-M102 PolarHBondContact O-N 3.24Å; E100-D103 PolarHBondContact O-N 2.9Å; E100-E104 PolarHBondContact O-N 3.35Å
101	E	68.8	Low	61	Low	112 Å²	112	94.2 Å²	94.2	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-67.9	-32.8	175.2	-155.2	-161.7	136.4	0	0	111.6	K105	E101-K105 WeakPolarHBondContact O-CD 3.35Å; E101-K105 VanDerWaalsContact O-CG 3.24Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact O-N 3.08Å; E101-K105 WeakPolarHBondContact OE1-CE 3.29Å; E101-K105 IonicContact OE1-NZ 3.57Å; E101-K105 PolarHBondContact OE1-NZ 3.41Å
102	M	72.2	Confident	63.6	Low	63 Å²	63	95.7 Å²	95.7	31%	0.31	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-46.4	173.2	-82.8	-70.4	-75.3	0	0	112.4	E98 D99 E100 E104 K105 I106 S125	E98-M102 WeakPolarHBondContact O-CG 2.97Å; E98-M102 PolarHBondContact O-N 3.12Å; E98-M102 VanDerWaalsContact O-N 3.1Å; D99-M102 PolarHBondContact O-N 3.4Å; E100-M102 VanDerWaalsContact C-N 3.31Å; E100-M102 PolarHBondContact O-N 3.24Å; M102-E104 VanDerWaalsContact C-N 3.34Å; M102-E104 PolarHBondContact O-N 2.87Å; M102-K105 PolarHBondContact O-N 3.21Å; M102-I106 WeakPolarHBondContact O-CD1 3.46Å; M102-I106 VanDerWaalsContact O-CG1 3.27Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 2.88Å; M102-S125 WeakPolarHBondContact CE-OG 3.34Å
103	D	79.8	Confident	66.3	Low	77 Å²	77	89.3 Å²	89.3	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-34.9	177.7	-116	-28.8	0	0	0	111.5	D99 E100 I106 N107 R118	D99-D103 PolarHBondContact O-N 3.09Å; E100-D103 PolarHBondContact O-N 2.9Å; D103-I106 PolarHBondContact O-N 3.16Å; D103-N107 WeakPolarHBondContact O-CB 3.1Å; D103-N107 PolarHBondContact O-N 2.89Å; D103-N107 PolarHBondContact O-ND2 3.31Å; D103-R118 IonicContact OD1-CZ 2.66Å; D103-R118 IonicContact OD1-NH2 3.37Å; D103-R118 PolarHBondContact OD1-NH2 2.64Å
104	E	80.6	Confident	68.2	Low	108 Å²	108	90.1 Å²	90.1	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-47.1	168.5	-96.5	-145.7	-173.7	0	0	112.5	E100 M102 I106 N107 K108	E100-E104 PolarHBondContact O-N 3.35Å; M102-E104 VanDerWaalsContact C-N 3.34Å; M102-E104 PolarHBondContact O-N 2.87Å; E104-I106 PolarHBondContact O-N 3.44Å; E104-N107 PolarHBondContact O-N 3.19Å; E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.89Å; E104-K108 IonicContact OE2-NZ 3.36Å; E104-K108 PolarHBondContact OE2-NZ 2.86Å
105	K	79.9	Confident	70.2	Confident	36 Å²	36	92.3 Å²	92.3	16%	0.157	46%	0.463	C	S	.	.	H	α-helix	trans	-61.4	-43.3	176.8	-73.4	166.5	-172.5	170.5	0	111.3	E101 M102 K108 L109 S129 L131	E101-K105 WeakPolarHBondContact O-CD 3.35Å; E101-K105 VanDerWaalsContact O-CG 3.24Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact O-N 3.08Å; E101-K105 WeakPolarHBondContact OE1-CE 3.29Å; E101-K105 IonicContact OE1-NZ 3.57Å; E101-K105 PolarHBondContact OE1-NZ 3.41Å; M102-K105 PolarHBondContact O-N 3.21Å; K105-K108 PolarHBondContact O-N 2.95Å; K105-L109 WeakPolarHBondContact O-CB 3.26Å; K105-L109 WeakPolarHBondContact O-CD1 3.48Å; K105-L109 VanDerWaalsContact O-CG 3.24Å; K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 3.47Å; K105-S129 PolarHBondContact NZ-O 3.5Å; K105-L131 HydrophobicContact CB-CD1 4.26Å; K105-L131 HydrophobicContact CG-CB 4.4Å; K105-L131 HydrophobicContact CG-CD1 4.31Å
106	I	81.9	Confident	72	Confident	9 Å²	9	85.1 Å²	85.1	5%	0.046	43%	0.425	C	S	.	.	H	α-helix	trans	-62.5	-47.1	177.5	-70.5	156.5	0	0	0	111	M102 D103 E104 L109 L110 R118 A121 V122 S125	M102-I106 WeakPolarHBondContact O-CD1 3.46Å; M102-I106 VanDerWaalsContact O-CG1 3.27Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 2.88Å; D103-I106 PolarHBondContact O-N 3.16Å; E104-I106 PolarHBondContact O-N 3.44Å; I106-L109 PolarHBondContact O-N 3.46Å; I106-L110 HydrophobicContact CG2-CD1 4.11Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 2.91Å; I106-R118 HydrophobicContact CG2-CG 4.12Å; I106-A121 HydrophobicContact CG2-CB 4.03Å; I106-V122 HydrophobicContact CD1-CB 4.41Å; I106-V122 HydrophobicContact CD1-CG2 3.59Å; I106-V122 HydrophobicContact CG1-CG2 4.15Å; I106-V122 HydrophobicContact CG2-CG2 4.4Å; I106-S125 WeakPolarHBondContact CG1-OG 3.41Å
107	N	81.8	Confident	74.2	Confident	73 Å²	73	81 Å²	81	39%	0.39	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-43.6	178.9	-69.6	-36.3	0	0	0	111.4	D103 E104 L109 L110 E111 R118	D103-N107 WeakPolarHBondContact O-CB 3.1Å; D103-N107 PolarHBondContact O-N 2.89Å; D103-N107 PolarHBondContact O-ND2 3.31Å; E104-N107 PolarHBondContact O-N 3.19Å; N107-L109 PolarHBondContact O-N 3.28Å; N107-L110 PolarHBondContact O-N 3.24Å; N107-E111 PolarHBondContact O-N 3.46Å; N107-R118 VanDerWaalsContact OD1-CZ 3.3Å; N107-R118 PolarHBondContact OD1-NH1 2.71Å; N107-R118 PolarHBondContact OD1-NH2 2.92Å
108	K	81.1	Confident	75.8	Confident	85 Å²	85	81 Å²	81	37%	0.37	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-34.4	176.5	-74.2	166.4	178.6	167.5	0	113.1	E104 K105 E111 L112 L131	E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.89Å; E104-K108 IonicContact OE2-NZ 3.36Å; E104-K108 PolarHBondContact OE2-NZ 2.86Å; K105-K108 PolarHBondContact O-N 2.95Å; K108-E111 PolarHBondContact O-N 3.06Å; K108-L112 WeakPolarHBondContact O-CB 3.35Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 3.47Å; K108-L112 VanDerWaalsContact O-N 3.07Å; K108-L131 HydrophobicContact CB-CD2 4.39Å; K108-L131 HydrophobicContact CD-CD2 4.17Å
109	L	79.8	Confident	77.1	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-67.8	-38.7	173.4	-73	163.4	0	0	0	112.4	K105 I106 N107 F113 L131 A134 I135	K105-L109 WeakPolarHBondContact O-CB 3.26Å; K105-L109 WeakPolarHBondContact O-CD1 3.48Å; K105-L109 VanDerWaalsContact O-CG 3.24Å; K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 3.47Å; I106-L109 PolarHBondContact O-N 3.46Å; N107-L109 PolarHBondContact O-N 3.28Å; L109-F113 PolarHBondContact O-N 3.31Å; L109-L131 HydrophobicContact CD1-CD1 4.45Å; L109-L131 HydrophobicContact CD2-CD1 4.17Å; L109-L131 HydrophobicContact CG-CD1 3.95Å; L109-A134 HydrophobicContact CD1-CB 3.73Å; L109-A134 HydrophobicContact CD2-CB 3.84Å; L109-A134 HydrophobicContact CG-CB 4.36Å; L109-I135 HydrophobicContact CD2-CG1 3.79Å
110	L	81.5	Confident	78.1	Confident	36 Å²	36	78 Å²	78	19%	0.188	39%	0.389	C	S	.	.	H	α-helix	trans	-69.6	-33.7	175.5	-68.1	169.3	0	0	0	112.6	I106 N107 F113 P114 L116 R118 A121	I106-L110 HydrophobicContact CG2-CD1 4.11Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 2.91Å; N107-L110 PolarHBondContact O-N 3.24Å; L110-F113 CarbonylContact O-C 3.55Å; L110-P114 WeakPolarHBondContact O-CA 3.24Å; L110-L116 HydrophobicContact CD2-CB 4.3Å; L110-L116 WeakPolarHBondContact CD2-O 3.23Å; L110-R118 HydrophobicContact CD1-CB 4.03Å; L110-R118 HydrophobicContact CD1-CG 3.98Å; L110-A121 HydrophobicContact CD1-CB 4.47Å; L110-A121 HydrophobicContact CD2-CB 3.85Å; L110-A121 HydrophobicContact CG-CB 3.92Å
111	E	81.1	Confident	78.7	Confident	154 Å²	154	70.4 Å²	70.4	72%	0.72	35%	0.354	S	S	*	.	H	α-helix	trans	-68.5	-41.5	175	-173.6	171.9	-152.5	0	0	112	N107 K108	N107-E111 PolarHBondContact O-N 3.46Å; K108-E111 PolarHBondContact O-N 3.06Å
112	L	77.2	Confident	79.4	Confident	101 Å²	101	68.5 Å²	68.5	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-75.6	-28.8	176.9	-69.2	172.4	0	0	0	113.7	K108 I135	K108-L112 WeakPolarHBondContact O-CB 3.35Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 3.47Å; K108-L112 VanDerWaalsContact O-N 3.07Å; L112-I135 HydrophobicContact CD1-CD1 3.59Å; L112-I135 HydrophobicContact CD1-CG1 4Å
113	F	82.1	Confident	79.6	Confident	26 Å²	26	70.3 Å²	70.3	11%	0.114	36%	0.357	C	S	.	.			trans	-130.4	76.5	180	-57.9	-78.8	0	0	0	111.6	L109 L110 Q115 L116 I135 C138 L139	L109-F113 PolarHBondContact O-N 3.31Å; L110-F113 CarbonylContact O-C 3.55Å; F113-Q115 PolarHBondContact O-N 3.13Å; F113-L116 HydrophobicContact CB-CB 4.23Å; F113-L116 WeakPolarHBondContact O-CB 3.31Å; F113-L116 PolarHBondContact O-N 2.7Å; F113-I135 HydrophobicContact CE2-CG1 4.49Å; F113-I135 HydrophobicContact CE2-CG2 4.22Å; F113-I135 HydrophobicContact CZ-CG2 4.27Å; F113-C138 HydrophobicContact CD1-CB 4.45Å; F113-C138 HydrophobicContact CD2-CB 3.71Å; F113-C138 HydrophobicContact CE1-CB 4.3Å; F113-C138 HydrophobicContact CE2-CB 3.53Å; F113-C138 HydrophobicContact CG-CB 4.18Å; F113-C138 HydrophobicContact CZ-CB 3.85Å; F113-L139 HydrophobicContact CE1-CD2 3.9Å; F113-L139 HydrophobicContact CE1-CG 4.35Å; F113-L139 HydrophobicContact CZ-CD2 3.91Å; F113-L139 HydrophobicContact CZ-CG 3.93Å
114	P	76.9	Confident	79.5	Confident	104 Å²	104	66.8 Å²	66.8	68%	0.675	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.3	-173.4	-26.6	36.7	0	0	0	115.9	L110 L116	L110-P114 WeakPolarHBondContact O-CA 3.24Å; P114-L116 VanDerWaalsContact C-N 3.32Å
115	Q	75.6	Confident	79.3	Confident	141 Å²	141	61.9 Å²	61.9	66%	0.659	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.4	173.3	57.7	-89.9	16.7	0	0	114.9	F113	F113-Q115 PolarHBondContact O-N 3.13Å
116	L	79.6	Confident	79	Confident	10 Å²	10	63.1 Å²	63.1	5%	0.052	34%	0.338	C	S	.	.	S	Bend	trans	-84.1	135	178.2	-168.8	66.9	0	0	0	110.7	L110 F113 P114 E120 A121 F142	L110-L116 HydrophobicContact CD2-CB 4.3Å; L110-L116 WeakPolarHBondContact CD2-O 3.23Å; F113-L116 HydrophobicContact CB-CB 4.23Å; F113-L116 WeakPolarHBondContact O-CB 3.31Å; F113-L116 PolarHBondContact O-N 2.7Å; P114-L116 VanDerWaalsContact C-N 3.32Å; L116-E120 HydrophobicContact CD1-CB 3.57Å; L116-E120 HydrophobicContact CG-CB 4.12Å; L116-A121 HydrophobicContact CD2-CB 3.8Å; L116-A121 HydrophobicContact CG-CB 4.3Å; L116-F142 HydrophobicContact CD1-CD2 4.46Å; L116-F142 HydrophobicContact CD1-CE2 3.47Å; L116-F142 VanDerWaalsContact CD1-CE2 3.47Å; L116-F142 HydrophobicContact CD1-CZ 3.72Å
117	S	80.1	Confident	78.5	Confident	44 Å²	44	66.6 Å²	66.6	31%	0.308	36%	0.364	S	S	.	.			trans	-76.7	150.7	172.3	73	0	0	0	0	111.7	T119 E120 A121	S117-T119 PolarHBondContact O-N 3.01Å; S117-T119 VanDerWaalsContact O-N 3.13Å; S117-T119 PolarHBondContact OG-OG1 3.4Å; S117-E120 WeakPolarHBondContact CB-OE2 3.44Å; S117-E120 PolarHBondContact N-OE2 3.13Å; S117-E120 PolarHBondContact O-N 3.13Å; S117-E120 VanDerWaalsContact OG-CD 3.28Å; S117-E120 VanDerWaalsContact OG-CG 3.32Å; S117-E120 WeakPolarHBondContact OG-CG 3.24Å; S117-E120 PolarHBondContact OG-N 3.43Å; S117-E120 PolarHBondContact OG-OE2 3.11Å; S117-A121 PolarHBondContact O-N 3.44Å
118	R	80.3	Confident	78.2	Confident	115 Å²	115	64.9 Å²	64.9	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-57.1	-31.1	177	-170	171.6	-163.9	98.9	4.8	112.4	D103 I106 N107 L110 V122	D103-R118 IonicContact OD1-CZ 2.66Å; D103-R118 IonicContact OD1-NH2 3.37Å; D103-R118 PolarHBondContact OD1-NH2 2.64Å; I106-R118 HydrophobicContact CG2-CG 4.12Å; N107-R118 VanDerWaalsContact OD1-CZ 3.3Å; N107-R118 PolarHBondContact OD1-NH1 2.71Å; N107-R118 PolarHBondContact OD1-NH2 2.92Å; L110-R118 HydrophobicContact CD1-CB 4.03Å; L110-R118 HydrophobicContact CD1-CG 3.98Å; R118-V122 VanDerWaalsContact O-CG2 3.24Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.94Å; R118-V122 VanDerWaalsContact O-N 3.1Å
119	T	80.6	Confident	77.8	Confident	115 Å²	115	66.1 Å²	66.1	71%	0.706	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-40.8	172.7	28.3	0	0	0	0	113.6	S117 E123	S117-T119 PolarHBondContact O-N 3.01Å; S117-T119 VanDerWaalsContact O-N 3.13Å; S117-T119 PolarHBondContact OG-OG1 3.4Å; T119-E123 PolarHBondContact O-N 3.25Å
120	E	75.9	Confident	77.8	Confident	70 Å²	70	69.8 Å²	69.8	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-76.3	-32.4	176.2	-67.2	159.3	124.2	0	0	111.6	L116 S117 V122 E123 V124	L116-E120 HydrophobicContact CD1-CB 3.57Å; L116-E120 HydrophobicContact CG-CB 4.12Å; S117-E120 WeakPolarHBondContact CB-OE2 3.44Å; S117-E120 PolarHBondContact N-OE2 3.13Å; S117-E120 PolarHBondContact O-N 3.13Å; S117-E120 VanDerWaalsContact OG-CD 3.28Å; S117-E120 VanDerWaalsContact OG-CG 3.32Å; S117-E120 WeakPolarHBondContact OG-CG 3.24Å; S117-E120 PolarHBondContact OG-N 3.43Å; S117-E120 PolarHBondContact OG-OE2 3.11Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 2.91Å; E120-E123 PolarHBondContact O-N 3.1Å; E120-V124 WeakPolarHBondContact O-CG2 3.48Å; E120-V124 PolarHBondContact O-N 3.07Å
121	A	76.7	Confident	77.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-39	173.3	0	0	0	0	0	112.2	I106 L110 L116 S117 S125	I106-A121 HydrophobicContact CG2-CB 4.03Å; L110-A121 HydrophobicContact CD1-CB 4.47Å; L110-A121 HydrophobicContact CD2-CB 3.85Å; L110-A121 HydrophobicContact CG-CB 3.92Å; L116-A121 HydrophobicContact CD2-CB 3.8Å; L116-A121 HydrophobicContact CG-CB 4.3Å; S117-A121 PolarHBondContact O-N 3.44Å; A121-S125 WeakPolarHBondContact O-CB 3.39Å; A121-S125 PolarHBondContact O-N 3.46Å; A121-S125 PolarHBondContact O-OG 3.47Å
122	V	82.1	Confident	77.6	Confident	71 Å²	71	71 Å²	71	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-40.7	172.1	170.9	0	0	0	0	111.9	I106 R118 E120 S125 G126	I106-V122 HydrophobicContact CD1-CB 4.41Å; I106-V122 HydrophobicContact CD1-CG2 3.59Å; I106-V122 HydrophobicContact CG1-CG2 4.15Å; I106-V122 HydrophobicContact CG2-CG2 4.4Å; R118-V122 VanDerWaalsContact O-CG2 3.24Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.94Å; R118-V122 VanDerWaalsContact O-N 3.1Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 2.91Å; V122-S125 PolarHBondContact O-OG 3.26Å; V122-G126 PolarHBondContact O-N 3.1Å
123	E	78.1	Confident	77.6	Confident	102 Å²	102	67.1 Å²	67.1	48%	0.477	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-44.4	176.3	-172.8	-167	-138.2	0	0	111.4	T119 E120 S127 R141	T119-E123 PolarHBondContact O-N 3.25Å; E120-E123 PolarHBondContact O-N 3.1Å; E123-S127 WeakPolarHBondContact O-CB 3.46Å; E123-S127 PolarHBondContact O-N 3.08Å; E123-S127 VanDerWaalsContact O-N 3.13Å; E123-S127 PolarHBondContact O-OG 3.27Å; E123-R141 IonicContact OE1-NH2 2.71Å; E123-R141 IonicContact OE2-CZ 3.57Å; E123-R141 IonicContact OE2-NH1 3.19Å; E123-R141 PolarHBondContact OE2-NH1 3.17Å; E123-R141 IonicContact OE2-NH2 2.64Å; E123-R141 PolarHBondContact OE2-NH2 2.89Å
124	V	77.8	Confident	77.5	Confident	2 Å²	2	66 Å²	66	1%	0.012	38%	0.384	C	S	.	.	H	α-helix	trans	-71.9	-40.5	-179.6	176.9	0	0	0	0	111.6	E120 S127 A134 V137	E120-V124 WeakPolarHBondContact O-CG2 3.48Å; E120-V124 PolarHBondContact O-N 3.07Å; V124-S127 WeakPolarHBondContact O-CB 3.38Å; V124-S127 PolarHBondContact O-N 3.26Å; V124-S127 VanDerWaalsContact O-N 3.13Å; V124-A134 HydrophobicContact CG1-CB 3.99Å; V124-A134 WeakPolarHBondContact CG1-O 3.2Å; V124-V137 HydrophobicContact CG1-CB 3.97Å; V124-V137 HydrophobicContact CG1-CG1 3.79Å; V124-V137 HydrophobicContact CG2-CG1 4.22Å
125	S	76.1	Confident	77.6	Confident	6 Å²	6	63 Å²	63	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-38.5	175.2	71.3	0	0	0	0	112.2	M102 I106 A121 V122 S127 T128	M102-S125 WeakPolarHBondContact CE-OG 3.34Å; I106-S125 WeakPolarHBondContact CG1-OG 3.41Å; A121-S125 WeakPolarHBondContact O-CB 3.39Å; A121-S125 PolarHBondContact O-N 3.46Å; A121-S125 PolarHBondContact O-OG 3.47Å; V122-S125 PolarHBondContact O-OG 3.26Å; S125-S127 PolarHBondContact O-N 2.98Å; S125-T128 PolarHBondContact O-N 2.93Å
126	G	73.1	Confident	77.7	Confident	61 Å²	61	58.5 Å²	58.5	63%	0.629	35%	0.349	S	S	*	.	H	α-helix	trans	-67.7	-17.7	173	0	0	0	0	0	114.4	V122	V122-G126 PolarHBondContact O-N 3.1Å
127	S	72.1	Confident	77.6	Confident	83 Å²	83	60.4 Å²	60.4	58%	0.58	36%	0.36	S	S	*	.	H	α-helix	trans	-84.4	-18.6	-179.7	-63.8	0	0	0	0	114	E123 V124 S125	E123-S127 WeakPolarHBondContact O-CB 3.46Å; E123-S127 PolarHBondContact O-N 3.08Å; E123-S127 VanDerWaalsContact O-N 3.13Å; E123-S127 PolarHBondContact O-OG 3.27Å; V124-S127 WeakPolarHBondContact O-CB 3.38Å; V124-S127 PolarHBondContact O-N 3.26Å; V124-S127 VanDerWaalsContact O-N 3.13Å; S125-S127 PolarHBondContact O-N 2.98Å
128	T	74.3	Confident	77.3	Confident	37 Å²	37	58.3 Å²	58.3	23%	0.227	35%	0.346	C	S	.	.			trans	-146.3	127.1	-175.8	56	0	0	0	0	111.7	S125 T130 A134 V137	S125-T128 PolarHBondContact O-N 2.93Å; T128-T130 PolarHBondContact O-N 3.25Å; T128-T130 VanDerWaalsContact O-N 3.16Å; T128-A134 WeakPolarHBondContact OG1-CA 3.46Å; T128-A134 WeakPolarHBondContact OG1-CB 3.48Å; T128-A134 PolarHBondContact OG1-N 2.88Å; T128-V137 HydrophobicContact CG2-CG2 4.09Å
129	S	73.1	Confident	77.1	Confident	111 Å²	111	57.4 Å²	57.4	78%	0.776	35%	0.349	S	S	*	.	S	Bend	trans	-65.3	-19.2	-177	52.2	0	0	0	0	115.3	K105	K105-S129 PolarHBondContact NZ-O 3.5Å
130	T	80.6	Confident	76.8	Confident	76 Å²	76	59.5 Å²	59.5	47%	0.466	36%	0.355	S	S	.	.	S	Bend	trans	-111.7	142.6	-178.2	60.2	0	0	0	0	112.4	T128 E132 G133 A134	T128-T130 PolarHBondContact O-N 3.25Å; T128-T130 VanDerWaalsContact O-N 3.16Å; T130-E132 VanDerWaalsContact C-N 3.31Å; T130-E132 PolarHBondContact O-N 2.73Å; T130-G133 PolarHBondContact O-N 2.71Å; T130-G133 VanDerWaalsContact O-N 3.12Å; T130-G133 PolarHBondContact OG1-N 2.91Å; T130-A134 PolarHBondContact O-N 2.99Å; T130-A134 VanDerWaalsContact O-N 3.09Å
131	L	78.6	Confident	76.4	Confident	51 Å²	51	61.7 Å²	61.7	27%	0.267	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-37.8	178.6	-178.4	58.7	0	0	0	112.2	K105 K108 L109 G133 A134 I135	K105-L131 HydrophobicContact CB-CD1 4.26Å; K105-L131 HydrophobicContact CG-CB 4.4Å; K105-L131 HydrophobicContact CG-CD1 4.31Å; K108-L131 HydrophobicContact CB-CD2 4.39Å; K108-L131 HydrophobicContact CD-CD2 4.17Å; L109-L131 HydrophobicContact CD1-CD1 4.45Å; L109-L131 HydrophobicContact CD2-CD1 4.17Å; L109-L131 HydrophobicContact CG-CD1 3.95Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 2.92Å; L131-A134 PolarHBondContact O-N 3.24Å; L131-I135 HydrophobicContact CD1-CD1 4.3Å; L131-I135 HydrophobicContact CD1-CG1 4.43Å; L131-I135 HydrophobicContact CG-CD1 3.96Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.46Å; L131-I135 PolarHBondContact O-N 2.94Å
132	E	78.9	Confident	75.9	Confident	164 Å²	164	65.5 Å²	65.5	77%	0.766	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-36.8	174.6	-61.8	-178.5	147.7	0	0	112.2	T130 A136	T130-E132 VanDerWaalsContact C-N 3.31Å; T130-E132 PolarHBondContact O-N 2.73Å; E132-A136 WeakPolarHBondContact O-CB 3.37Å; E132-A136 PolarHBondContact O-N 3.29Å
133	G	76.9	Confident	74.6	Confident	20 Å²	20	64.7 Å²	64.7	21%	0.206	38%	0.383	C	S	.	.	H	α-helix	trans	-64.1	-44.7	173.3	0	0	0	0	0	111.9	T130 L131 A136 V137	T130-G133 PolarHBondContact O-N 2.71Å; T130-G133 VanDerWaalsContact O-N 3.12Å; T130-G133 PolarHBondContact OG1-N 2.91Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 2.92Å; G133-A136 PolarHBondContact O-N 3.25Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 3.24Å
134	A	79.5	Confident	72.7	Confident	2 Å²	2	67 Å²	67	2%	0.017	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.2	0	0	0	0	0	112	L109 V124 T128 T130 L131 V137 C138	L109-A134 HydrophobicContact CD1-CB 3.73Å; L109-A134 HydrophobicContact CD2-CB 3.84Å; L109-A134 HydrophobicContact CG-CB 4.36Å; V124-A134 HydrophobicContact CG1-CB 3.99Å; V124-A134 WeakPolarHBondContact CG1-O 3.2Å; T128-A134 WeakPolarHBondContact OG1-CA 3.46Å; T128-A134 WeakPolarHBondContact OG1-CB 3.48Å; T128-A134 PolarHBondContact OG1-N 2.88Å; T130-A134 PolarHBondContact O-N 2.99Å; T130-A134 VanDerWaalsContact O-N 3.09Å; L131-A134 PolarHBondContact O-N 3.24Å; A134-V137 PolarHBondContact O-N 3.11Å; A134-C138 PolarHBondContact O-N 3.39Å; A134-C138 PolarHBondContact O-SG 3.42Å
135	I	79.6	Confident	70.6	Confident	43 Å²	43	75.2 Å²	75.2	22%	0.221	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-43.7	174.2	-69.1	165.4	0	0	0	110.7	L109 L112 F113 L131 V137 C138 L139	L109-I135 HydrophobicContact CD2-CG1 3.79Å; L112-I135 HydrophobicContact CD1-CD1 3.59Å; L112-I135 HydrophobicContact CD1-CG1 4Å; F113-I135 HydrophobicContact CE2-CG1 4.49Å; F113-I135 HydrophobicContact CE2-CG2 4.22Å; F113-I135 HydrophobicContact CZ-CG2 4.27Å; L131-I135 HydrophobicContact CD1-CD1 4.3Å; L131-I135 HydrophobicContact CD1-CG1 4.43Å; L131-I135 HydrophobicContact CG-CD1 3.96Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.46Å; L131-I135 PolarHBondContact O-N 2.94Å; I135-V137 VanDerWaalsContact C-N 3.33Å; I135-V137 PolarHBondContact O-N 3.36Å; I135-C138 PolarHBondContact O-N 2.98Å; I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 HydrophobicContact CG2-CG 4.49Å; I135-L139 WeakPolarHBondContact O-CG 3.28Å; I135-L139 PolarHBondContact O-N 2.87Å
136	A	78.5	Confident	68.4	Low	46 Å²	46	82.8 Å²	82.8	38%	0.38	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-37.7	176	0	0	0	0	0	112.4	E132 G133 L139 L140	E132-A136 WeakPolarHBondContact O-CB 3.37Å; E132-A136 PolarHBondContact O-N 3.29Å; G133-A136 PolarHBondContact O-N 3.25Å; A136-L139 PolarHBondContact O-N 2.66Å; A136-L140 WeakPolarHBondContact O-CG 3.1Å; A136-L140 PolarHBondContact O-N 2.7Å
137	V	76.7	Confident	67	Low	49 Å²	49	84.5 Å²	84.5	30%	0.297	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-42.9	172.7	170.9	0	0	0	0	111.2	V124 T128 G133 A134 I135 L139 L140 R141	V124-V137 HydrophobicContact CG1-CB 3.97Å; V124-V137 HydrophobicContact CG1-CG1 3.79Å; V124-V137 HydrophobicContact CG2-CG1 4.22Å; T128-V137 HydrophobicContact CG2-CG2 4.09Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 3.24Å; A134-V137 PolarHBondContact O-N 3.11Å; I135-V137 VanDerWaalsContact C-N 3.33Å; I135-V137 PolarHBondContact O-N 3.36Å; V137-L139 PolarHBondContact O-N 3.36Å; V137-L140 PolarHBondContact O-N 3.2Å; V137-R141 VanDerWaalsContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CB 3.21Å; V137-R141 PolarHBondContact O-N 2.9Å
138	C	74	Confident	65.5	Low	0 Å²	0	86 Å²	86	0%	0	49%	0.485	C	S	.	.	H	α-helix	trans	-60	-43.2	173.3	-74.3	0	0	0	0	112.1	F113 A134 I135 L140 R141 F142	F113-C138 HydrophobicContact CD1-CB 4.45Å; F113-C138 HydrophobicContact CD2-CB 3.71Å; F113-C138 HydrophobicContact CE1-CB 4.3Å; F113-C138 HydrophobicContact CE2-CB 3.53Å; F113-C138 HydrophobicContact CG-CB 4.18Å; F113-C138 HydrophobicContact CZ-CB 3.85Å; A134-C138 PolarHBondContact O-N 3.39Å; A134-C138 PolarHBondContact O-SG 3.42Å; I135-C138 PolarHBondContact O-N 2.98Å; C138-L140 VanDerWaalsContact C-N 3.33Å; C138-L140 PolarHBondContact O-N 3.03Å; C138-R141 PolarHBondContact O-N 3.11Å; C138-F142 PolarHBondContact O-N 2.94Å
139	L	76	Confident	63.4	Low	96 Å²	96	90.8 Å²	90.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-34	175.2	-70.4	169.4	0	0	0	112.6	F113 I135 A136 V137 G143	F113-L139 HydrophobicContact CE1-CD2 3.9Å; F113-L139 HydrophobicContact CE1-CG 4.35Å; F113-L139 HydrophobicContact CZ-CD2 3.91Å; F113-L139 HydrophobicContact CZ-CG 3.93Å; I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 HydrophobicContact CG2-CG 4.49Å; I135-L139 WeakPolarHBondContact O-CG 3.28Å; I135-L139 PolarHBondContact O-N 2.87Å; A136-L139 PolarHBondContact O-N 2.66Å; V137-L139 PolarHBondContact O-N 3.36Å; L139-G143 WeakPolarHBondContact O-CA 3.31Å; L139-G143 PolarHBondContact O-N 3.22Å
140	L	74.1	Confident	61.3	Low	159 Å²	159	93.6 Å²	93.6	83%	0.832	52%	0.515	S	S	*	.	H	α-helix	trans	-77.8	-24.3	173.7	-70.7	169.3	0	0	0	113.5	A136 V137 C138	A136-L140 WeakPolarHBondContact O-CG 3.1Å; A136-L140 PolarHBondContact O-N 2.7Å; V137-L140 PolarHBondContact O-N 3.2Å; C138-L140 VanDerWaalsContact C-N 3.33Å; C138-L140 PolarHBondContact O-N 3.03Å
141	R	68.5	Low	58.8	Low	117 Å²	117	91.9 Å²	91.9	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-88	-26.4	-179.2	-157.1	-179.6	-142.7	-172	6.4	112.9	E123 V137 C138	E123-R141 IonicContact OE1-NH2 2.71Å; E123-R141 IonicContact OE2-CZ 3.57Å; E123-R141 IonicContact OE2-NH1 3.19Å; E123-R141 PolarHBondContact OE2-NH1 3.17Å; E123-R141 IonicContact OE2-NH2 2.64Å; E123-R141 PolarHBondContact OE2-NH2 2.89Å; V137-R141 VanDerWaalsContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CB 3.21Å; V137-R141 PolarHBondContact O-N 2.9Å; C138-R141 PolarHBondContact O-N 3.11Å
142	F	65.6	Low	56.4	Low	80 Å²	80	99 Å²	99	35%	0.351	54%	0.541	S	S	.	.	H	α-helix	trans	-134.3	-4.2	-174.3	-60.4	-80.7	0	0	0	115.4	L116 C138 D144	L116-F142 HydrophobicContact CD1-CD2 4.46Å; L116-F142 HydrophobicContact CD1-CE2 3.47Å; L116-F142 VanDerWaalsContact CD1-CE2 3.47Å; L116-F142 HydrophobicContact CD1-CZ 3.72Å; C138-F142 PolarHBondContact O-N 2.94Å; F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 2.93Å
143	G	54.5	Low	54.1	Low	54 Å²	54	100.4 Å²	100.4	56%	0.557	55%	0.545	S	S	*	.	S	Bend	trans	-86.4	15.6	-173.8	0	0	0	0	0	116	L139	L139-G143 WeakPolarHBondContact O-CA 3.31Å; L139-G143 PolarHBondContact O-N 3.22Å
144	D	38.1	Very low	51.6	Low	149 Å²	149	109.5 Å²	109.5	80%	0.797	57%	0.573	S	S	*	*	S	Bend	trans	-144	140.8	175.6	-139.3	-25.1	0	0	0	110.9	F142	F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 2.93Å
145	K	34.6	Very low	49.2	Very low	175 Å²	175	117.2 Å²	117.2	76%	0.761	61%	0.606	S	S	*	*			trans	77.1	137.9	-166.9	-54	172.8	-179.9	179.9	0	115.8
146	E	29.6	Very low	46.6	Very low	166 Å²	166	121.1 Å²	121.1	78%	0.776	62%	0.624	S	S	*	*			cis	-153.2	137.6	-0.7	-125.8	162.2	-124.1	0	0	113.5
147	A	43.2	Very low	44.1	Very low	97 Å²	97	125.6 Å²	125.6	80%	0.802	64%	0.641	S	S	*	*			trans	-140	126.7	147.7	0	0	0	0	0	105
148	P	40.9	Very low	41.7	Very low	114 Å²	114	127.1 Å²	127.1	74%	0.74	67%	0.667	S	S	*	*				-149.7	-148.8	78.4	37.6	-13.3	0	0	0	110.5
149	N	30.8	Very low	39.3	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	71%	0.705	S	S	*	*			cis	-161.3	134.2	-3.9	-150.6	-36.2	0	0	0	110
150	D	28.6	Very low	36.9	Very low	169 Å²	169	132.6 Å²	132.6	90%	0.904	71%	0.713	S	S	*	*			trans	-170.7	131.6	131.3	-142.8	3.5	0	0	0	110.6
151	G	27.3	Very low	34.3	Very low	40 Å²	40	130.3 Å²	130.3	41%	0.412	71%	0.709	S	S	.	*			cis	158.9	140.6	-15.5	0	0	0	0	0	113.6
152	K	29.5	Very low	32.2	Very low	200 Å²	200	128.9 Å²	128.9	87%	0.87	72%	0.717	S	S	*	*			trans	179.2	111.6	150.3	-99.7	149	-168.9	166.1	0	113.3
153	K	30.4	Very low	30.3	Very low	194 Å²	194	133.6 Å²	133.6	84%	0.843	74%	0.74	S	S	*	*				38.6	136.8	127.6	-69.5	169.8	-178.4	167.4	0	118.5
154	R	24.9	Very low	28.8	Very low	211 Å²	211	138 Å²	138	80%	0.796	75%	0.751	S	S	*	*			cis	-175	151.7	28.4	-135.1	-179.8	176.7	171	-2.9	112.1
155	K	28	Very low	28.2	Very low	164 Å²	164	136.2 Å²	136.2	71%	0.713	75%	0.751	S	S	*	*			trans	67	152.5	157.4	-65.8	-169	148.6	-148	0	117.4
156	Q	26.1	Very low	27.6	Very low	126 Å²	126	131.1 Å²	131.1	59%	0.589	75%	0.748	S	S	*	*			cis	-153.2	152.9	-11.3	-120.2	-178	-85.5	0	0	111.3
157	D	25.5	Very low	27.4	Very low	140 Å²	140	130.3 Å²	130.3	75%	0.749	75%	0.748	S	S	*	*			trans	16	140.8	150.3	-34.2	-29.6	0	0	0	121.8
158	G	25	Very low	26.6	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	75%	0.746	S	S	*	*			trans	175.5	82.6	167	0	0	0	0	0	117.7
159	S	25.2	Very low	25.9	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	75%	0.748	S	S	*	*			trans	-56.2	135.4	-176	-137.5	0	0	0	0	118.5
160	S	24.4	Very low	26	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	75%	0.747	S	S	*	*			trans	40.1	150.4	131.7	76.4	0	0	0	0	124.9
161	C	20.3	Very low	25.8	Very low	111 Å²	111	130.2 Å²	130.2	75%	0.75	74%	0.735	S	S	*	*			trans	94.7	107.4	139.6	-88.1	0	0	0	0	121.7
162	S	24.3	Very low	25.8	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	75%	0.753	S	S	*	*				68.7	119.9	118.3	71.2	0	0	0	0	122.4
163	Q	25.3	Very low	25.6	Very low	178 Å²	178	137 Å²	137	83%	0.832	75%	0.753	S	S	*	*				87.8	138.4	127	-78.8	-179.4	-57	0	0	122.3
164	D	23.1	Very low	25.2	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	76%	0.757	S	S	*	*			trans	85.4	172.1	148.9	-118.8	-44.5	0	0	0	120.7
165	S	24.9	Very low	25.3	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	76%	0.76	S	S	*	*			trans	-128.2	170.2	-141.4	58.8	0	0	0	0	113
166	G	23.3	Very low	25.6	Very low	68 Å²	68	136.7 Å²	136.7	70%	0.701	76%	0.762	S	S	*	*			trans	135.2	103.6	163.5	0	0	0	0	0	116.8
167	D	24.5	Very low	25.5	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	77%	0.769	S	S	*	*			trans	60.3	121	138.1	-69.7	-19.5	0	0	0	125
168	I	25.3	Very low	25.6	Very low	145 Å²	145	136.9 Å²	136.9	74%	0.744	78%	0.775	S	S	*	*				64.1	98.1	124	-53.8	168.7	0	0	0	119.1
169	Q	27.8	Very low	25.8	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	77%	0.772	S	S	*	*				29.7	142.8	125.3	-109	-171.6	47.4	0	0	121.4
170	P	32.2	Very low	25.8	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	77%	0.765	S	S	*	*				-151.7	137	101.8	35.1	-17.3	0	0	0	118.7
171	S	23.8	Very low	25.8	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	77%	0.767	S	S	*	*			trans	71.5	157.3	142.7	83.4	0	0	0	0	119.7
172	K	27.5	Very low	26.1	Very low	185 Å²	185	143.3 Å²	143.3	80%	0.804	77%	0.772	S	S	*	*			cis	-165.6	131.4	-6.3	-121.4	164.8	-164.1	166	0	111.5
173	K	26.1	Very low	26.5	Very low	196 Å²	196	149 Å²	149	85%	0.852	79%	0.789	S	S	*	*			trans	40.7	142.7	146.6	-55.9	-174.7	178.3	-175.5	0	120.6
174	R	21.3	Very low	26.7	Very low	247 Å²	247	144.1 Å²	144.1	93%	0.932	79%	0.786	S	S	*	*				-156	167.9	51.4	-76.3	-178.8	168.5	-174.9	-3.6	114.5
175	K	27.5	Very low	27.3	Very low	199 Å²	199	146.2 Å²	146.2	87%	0.865	79%	0.791	S	S	*	*			trans	-79.2	174	169.3	-91.5	-169.7	177.7	-166.4	0	112.6
176	P	34.3	Very low	28.2	Very low	117 Å²	117	145 Å²	145	76%	0.76	80%	0.796	S	S	*	*			cis	-119.5	-156.4	24.8	28.1	-2.4	0	0	0	113
177	S	23	Very low	29.3	Very low	105 Å²	105	151 Å²	151	73%	0.734	81%	0.805	S	S	*	*			cis	-152.1	-164.7	18.1	-56.7	0	0	0	0	113.1
178	L	29	Very low	30.5	Very low	166 Å²	166	149.6 Å²	149.6	87%	0.869	79%	0.794	S	S	*	*			trans	-128.8	162.6	155.5	-63.9	91.7	0	0	0	109
179	V	28.6	Very low	32.6	Very low	129 Å²	129	144.2 Å²	144.2	78%	0.782	77%	0.769	S	S	*	*				-177.5	127.9	124.4	147.2	0	0	0	0	110.5
180	S	26.1	Very low	35.2	Very low	90 Å²	90	139.2 Å²	139.2	63%	0.629	75%	0.752	S	S	*	*			trans	40.8	158	155.4	71.4	0	0	0	0	126.2
181	D	24.4	Very low	37.2	Very low	134 Å²	134	141 Å²	141	72%	0.717	75%	0.745	S	S	*	*			trans	95.2	135.1	148.7	-50.9	-42.8	0	0	0	122.4
182	E	25.9	Very low	39.7	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	75%	0.751	S	S	*	*			trans	58.2	103.2	158.2	-69.4	155.7	-153.9	0	0	120.5
183	E	32.8	Very low	42.2	Very low	207 Å²	207	141.8 Å²	141.8	97%	0.967	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-85.6	123.9	149.3	-73	-172.3	159.2	0	0	108
184	G	29.4	Very low	44.8	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-88.3	165.4	-159.7	0	0	0	0	0	117.2
185	E	36.6	Very low	48	Very low	193 Å²	193	124.9 Å²	124.9	90%	0.902	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-66.6	169.5	169.2	-59.6	173.1	140.9	0	0	111.5	E187	E185-E187 PolarHBondContact O-N 2.93Å; E185-E187 VanDerWaalsContact O-N 3.13Å
186	G	42.7	Very low	50.8	Low	85 Å²	85	118.1 Å²	118.1	88%	0.876	66%	0.655	S	S	*	*			trans	-65.4	110.1	-172.1	0	0	0	0	0	114.3
187	E	47.5	Very low	53.3	Low	193 Å²	193	114.8 Å²	114.8	90%	0.902	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.1	130.4	169.4	-67.4	-168.4	135.1	0	0	111.3	E185	E185-E187 PolarHBondContact O-N 2.93Å; E185-E187 VanDerWaalsContact O-N 3.13Å
188	E	48.7	Very low	56.4	Low	119 Å²	119	110.2 Å²	110.2	56%	0.556	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-57.7	142.2	170.4	-75.2	-159.7	115.3	0	0	111.5	W222	E188-W222 PolarHBondContact OE1-NE1 2.71Å
189	P	70.3	Confident	59.1	Low	32 Å²	32	107.6 Å²	107.6	21%	0.208	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-61.7	143.9	174.1	25.7	-32.5	0	0	0	110.9	K193 Q194 M197 W222	P189-K193 HydrophobicContact CB-CB 4.15Å; P189-K193 HydrophobicContact CB-CD 4.24Å; P189-Q194 HydrophobicContact CG-CG 4.1Å; P189-Q194 VanDerWaalsContact O-CG 3.28Å; P189-Q194 WeakPolarHBondContact O-CG 3.38Å; P189-Q194 PolarHBondContact O-NE2 2.97Å; P189-M197 HydrophobicContact CG-SD 4.38Å; P189-W222 HydrophobicContact CG-CB 3.58Å; P189-W222 HydrophobicContact CG-CD2 4.12Å; P189-W222 HydrophobicContact CG-CG 3.58Å
190	S	82	Confident	61.8	Low	64 Å²	64	107.6 Å²	107.6	45%	0.448	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-58.2	151	-179.1	62.3	0	0	0	0	113	E192 K193 Q194	S190-E192 PolarHBondContact O-N 3.49Å; S190-K193 WeakPolarHBondContact O-CA 3.44Å; S190-K193 WeakPolarHBondContact O-CB 3.12Å; S190-K193 PolarHBondContact O-N 2.93Å; S190-Q194 PolarHBondContact O-N 2.98Å
191	W	73.8	Confident	64.5	Low	150 Å²	150	103.3 Å²	103.3	57%	0.568	54%	0.539	S	S	*	.	H	α-helix	trans	-46.9	-42.2	-176.7	177.9	-79.3	0	0	0	114	K193 Q194 E195 R214	W191-K193 VanDerWaalsContact C-N 3.28Å; W191-K193 PolarHBondContact O-N 3.07Å; W191-Q194 WeakPolarHBondContact O-CB 3.43Å; W191-Q194 PolarHBondContact O-N 2.9Å; W191-E195 PolarHBondContact NE1-OE2 3.24Å; W191-E195 WeakPolarHBondContact O-CB 3.5Å; W191-E195 PolarHBondContact O-N 2.76Å; W191-R214 VanDerWaalsContact CE3-NH2 3.27Å
192	E	76.6	Confident	67.4	Low	164 Å²	164	99.2 Å²	99.2	77%	0.766	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-32.8	179.4	-61.1	-178	151.9	0	0	112.8	S190 A196	S190-E192 PolarHBondContact O-N 3.49Å; E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 2.6Å
193	K	79.1	Confident	70.1	Confident	129 Å²	129	99.3 Å²	99.3	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-74	-46.6	171.8	-64.9	178.9	179.6	178.5	0	110.9	P189 S190 W191 E195 A196 M197	P189-K193 HydrophobicContact CB-CB 4.15Å; P189-K193 HydrophobicContact CB-CD 4.24Å; S190-K193 WeakPolarHBondContact O-CA 3.44Å; S190-K193 WeakPolarHBondContact O-CB 3.12Å; S190-K193 PolarHBondContact O-N 2.93Å; W191-K193 VanDerWaalsContact C-N 3.28Å; W191-K193 PolarHBondContact O-N 3.07Å; K193-E195 VanDerWaalsContact C-N 3.33Å; K193-E195 PolarHBondContact O-N 3.4Å; K193-A196 WeakPolarHBondContact O-CB 3.41Å; K193-A196 PolarHBondContact O-N 3.49Å; K193-A196 VanDerWaalsContact O-N 3.12Å; K193-M197 VanDerWaalsContact O-CG 3.23Å; K193-M197 WeakPolarHBondContact O-CG 3.17Å; K193-M197 PolarHBondContact O-N 2.96Å
194	Q	82.4	Confident	72.2	Confident	15 Å²	15	97.4 Å²	97.4	7%	0.07	50%	0.497	C	S	.	.	H	α-helix	trans	-53.5	-49.1	175.9	-67	-173.7	1	0	0	111.6	P189 S190 W191 A196 M197 V198 W222	P189-Q194 HydrophobicContact CG-CG 4.1Å; P189-Q194 VanDerWaalsContact O-CG 3.28Å; P189-Q194 WeakPolarHBondContact O-CG 3.38Å; P189-Q194 PolarHBondContact O-NE2 2.97Å; S190-Q194 PolarHBondContact O-N 2.98Å; W191-Q194 WeakPolarHBondContact O-CB 3.43Å; W191-Q194 PolarHBondContact O-N 2.9Å; Q194-A196 VanDerWaalsContact C-N 3.32Å; Q194-A196 PolarHBondContact O-N 3.46Å; Q194-M197 WeakPolarHBondContact O-CB 3.41Å; Q194-M197 PolarHBondContact O-N 3.33Å; Q194-V198 WeakPolarHBondContact O-CG2 3.47Å; Q194-V198 PolarHBondContact O-N 3.25Å; Q194-W222 HydrophobicContact CB-CE3 3.99Å; Q194-W222 HydrophobicContact CB-CH2 3.55Å; Q194-W222 HydrophobicContact CB-CZ2 4.2Å; Q194-W222 HydrophobicContact CB-CZ3 3.44Å; Q194-W222 VanDerWaalsContact CB-CZ3 3.44Å; Q194-W222 HydrophobicContact CG-CD2 3.9Å; Q194-W222 HydrophobicContact CG-CE3 3.78Å; Q194-W222 HydrophobicContact CG-CH2 3.58Å; Q194-W222 HydrophobicContact CG-CZ2 3.69Å; Q194-W222 HydrophobicContact CG-CZ3 3.63Å
195	E	88.8	Confident	74.8	Confident	73 Å²	73	94.9 Å²	94.9	34%	0.341	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-29.8	-179.5	-154.9	-170.4	130.9	0	0	112.1	W191 K193 K199	W191-E195 PolarHBondContact NE1-OE2 3.24Å; W191-E195 WeakPolarHBondContact O-CB 3.5Å; W191-E195 PolarHBondContact O-N 2.76Å; K193-E195 VanDerWaalsContact C-N 3.33Å; K193-E195 PolarHBondContact O-N 3.4Å; E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 2.88Å; E195-K199 VanDerWaalsContact O-N 3.08Å; E195-K199 WeakPolarHBondContact OE1-CE 3.36Å; E195-K199 IonicContact OE1-NZ 2.91Å; E195-K199 PolarHBondContact OE1-NZ 3.2Å
196	A	86.3	Confident	76.5	Confident	57 Å²	57	90 Å²	90	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-70.1	-36.2	171	0	0	0	0	0	112.5	E192 K193 Q194 K200	E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 2.6Å; K193-A196 WeakPolarHBondContact O-CB 3.41Å; K193-A196 PolarHBondContact O-N 3.49Å; K193-A196 VanDerWaalsContact O-N 3.12Å; Q194-A196 VanDerWaalsContact C-N 3.32Å; Q194-A196 PolarHBondContact O-N 3.46Å; A196-K200 WeakPolarHBondContact O-CB 3.35Å; A196-K200 PolarHBondContact O-N 2.96Å
197	M	84.8	Confident	78	Confident	47 Å²	47	93.6 Å²	93.6	23%	0.232	45%	0.449	C	S	.	.	H	α-helix	trans	-66	-49.2	174.8	-68.1	159	149.4	0	0	111.1	P189 K193 Q194 K199 K200 L201 L217 W222 V224	P189-M197 HydrophobicContact CG-SD 4.38Å; K193-M197 VanDerWaalsContact O-CG 3.23Å; K193-M197 WeakPolarHBondContact O-CG 3.17Å; K193-M197 PolarHBondContact O-N 2.96Å; Q194-M197 WeakPolarHBondContact O-CB 3.41Å; Q194-M197 PolarHBondContact O-N 3.33Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.49Å; M197-K200 WeakPolarHBondContact O-CA 3.13Å; M197-K200 VanDerWaalsContact O-CB 3.32Å; M197-K200 WeakPolarHBondContact O-CB 3.35Å; M197-K200 PolarHBondContact O-N 3.49Å; M197-L201 PolarHBondContact O-N 2.98Å; M197-L217 HydrophobicContact CB-CD1 3.81Å; M197-L217 HydrophobicContact CB-CD2 4.45Å; M197-W222 WeakPolarHBondContact CE-O 3.41Å; M197-W222 HydrophobicContact SD-CB 4.29Å; M197-W222 HydrophobicContact SD-CE3 4.14Å; M197-V224 HydrophobicContact CB-CG2 3.81Å; M197-V224 HydrophobicContact CE-CG2 4.29Å; M197-V224 HydrophobicContact CG-CG2 3.59Å; M197-V224 HydrophobicContact SD-CG2 4.47Å
198	V	89.1	Confident	79.3	Confident	9 Å²	9	87.8 Å²	87.8	6%	0.055	42%	0.421	C	S	.	.	H	α-helix	trans	-57.8	-44.1	174.4	174.8	0	0	0	0	111.1	Q194 K200 L201 Q202 K210 L213 R214 L217 W222	Q194-V198 WeakPolarHBondContact O-CG2 3.47Å; Q194-V198 PolarHBondContact O-N 3.25Å; V198-K200 VanDerWaalsContact C-N 3.28Å; V198-K200 PolarHBondContact O-N 3.43Å; V198-L201 PolarHBondContact O-N 3.39Å; V198-Q202 PolarHBondContact O-N 2.9Å; V198-K210 HydrophobicContact CG1-CB 4.41Å; V198-L213 HydrophobicContact CG1-CB 4.38Å; V198-R214 HydrophobicContact CG2-CB 3.97Å; V198-R214 HydrophobicContact CG2-CG 4.06Å; V198-L217 HydrophobicContact CB-CD1 4.44Å; V198-L217 HydrophobicContact CG2-CD1 3.73Å; V198-W222 HydrophobicContact CG2-CZ3 4.33Å
199	K	86.4	Confident	81	Confident	111 Å²	111	87.4 Å²	87.4	48%	0.483	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-28.6	174.8	-75.1	167.7	-174.2	164.1	0	113.5	E195 M197 K203	E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 2.88Å; E195-K199 VanDerWaalsContact O-N 3.08Å; E195-K199 WeakPolarHBondContact OE1-CE 3.36Å; E195-K199 IonicContact OE1-NZ 2.91Å; E195-K199 PolarHBondContact OE1-NZ 3.2Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.49Å; K199-K203 WeakPolarHBondContact O-CB 3.2Å; K199-K203 PolarHBondContact O-N 2.68Å; K199-K203 VanDerWaalsContact O-N 3.14Å
200	K	84	Confident	81.6	Confident	129 Å²	129	90.7 Å²	90.7	56%	0.561	44%	0.435	S	S	*	.	H	α-helix	trans	-71.8	-39.7	176.4	-164.5	177.9	172.3	-156.4	0	110.9	A196 M197 V198 V224	A196-K200 WeakPolarHBondContact O-CB 3.35Å; A196-K200 PolarHBondContact O-N 2.96Å; M197-K200 WeakPolarHBondContact O-CA 3.13Å; M197-K200 VanDerWaalsContact O-CB 3.32Å; M197-K200 WeakPolarHBondContact O-CB 3.35Å; M197-K200 PolarHBondContact O-N 3.49Å; V198-K200 VanDerWaalsContact C-N 3.28Å; V198-K200 PolarHBondContact O-N 3.43Å; K200-V224 HydrophobicContact CD-CG1 4.19Å
201	L	82.9	Confident	81.4	Confident	0 Å²	0	93.6 Å²	93.6	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-69.8	-45.9	171.6	-67.1	-178.8	0	0	0	112.5	M197 V198 K203 R204 F205 L213 L217 V224 A227 L228 L231	M197-L201 PolarHBondContact O-N 2.98Å; V198-L201 PolarHBondContact O-N 3.39Å; L201-K203 PolarHBondContact O-N 3.02Å; L201-R204 CarbonylContact O-C 3.29Å; L201-R204 WeakPolarHBondContact O-CA 3.27Å; L201-R204 VanDerWaalsContact O-CB 3.3Å; L201-R204 WeakPolarHBondContact O-CB 3.26Å; L201-R204 PolarHBondContact O-N 2.92Å; L201-F205 PolarHBondContact O-N 3.07Å; L201-L213 HydrophobicContact CB-CD1 4.48Å; L201-L213 HydrophobicContact CB-CD2 4.26Å; L201-L217 HydrophobicContact CD1-CD1 3.67Å; L201-L217 HydrophobicContact CD1-CD2 3.96Å; L201-L217 HydrophobicContact CD1-CG 3.55Å; L201-L217 HydrophobicContact CG-CD1 4.45Å; L201-V224 HydrophobicContact CD2-CG1 3.92Å; L201-V224 HydrophobicContact CG-CG1 4.25Å; L201-A227 HydrophobicContact CD1-CB 4.04Å; L201-L228 HydrophobicContact CD2-CB 3.66Å; L201-L228 HydrophobicContact CD2-CD1 4.06Å; L201-L228 HydrophobicContact CD2-CG 3.86Å; L201-L231 HydrophobicContact CD1-CD1 3.86Å; L201-L231 HydrophobicContact CD2-CD1 4.3Å; L201-L231 HydrophobicContact CG-CD1 4.49Å
202	Q	85.4	Confident	81.6	Confident	48 Å²	48	90.4 Å²	90.4	22%	0.224	43%	0.432	C	S	.	.	H	α-helix	trans	-67	-24.1	-178.7	-163.2	170	49.8	0	0	113	V198 R204 F205 P206 Q208 L213	V198-Q202 PolarHBondContact O-N 2.9Å; Q202-R204 PolarHBondContact O-N 2.89Å; Q202-F205 CarbonylContact O-C 3.58Å; Q202-P206 WeakPolarHBondContact O-CA 3.19Å; Q202-Q208 PolarHBondContact NE2-O 2.72Å; Q202-L213 HydrophobicContact CB-CD1 3.54Å; Q202-L213 HydrophobicContact CG-CD1 3.85Å
203	K	82.2	Confident	82	Confident	186 Å²	186	82.6 Å²	82.6	81%	0.809	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.5	168.6	-171	176.8	177.2	-172.3	0	112.8	K199 L201	K199-K203 WeakPolarHBondContact O-CB 3.2Å; K199-K203 PolarHBondContact O-N 2.68Å; K199-K203 VanDerWaalsContact O-N 3.14Å; L201-K203 PolarHBondContact O-N 3.02Å
204	R	76.7	Confident	82.4	Confident	167 Å²	167	78.9 Å²	78.9	63%	0.63	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-34.4	177.8	-161	61.6	168.3	170	-0.6	112.7	L201 Q202 L228	L201-R204 CarbonylContact O-C 3.29Å; L201-R204 WeakPolarHBondContact O-CA 3.27Å; L201-R204 VanDerWaalsContact O-CB 3.3Å; L201-R204 WeakPolarHBondContact O-CB 3.26Å; L201-R204 PolarHBondContact O-N 2.92Å; Q202-R204 PolarHBondContact O-N 2.89Å; R204-L228 HydrophobicContact CG-CD2 4.43Å
205	F	84.2	Confident	82.2	Confident	21 Å²	21	83.9 Å²	83.9	9%	0.092	40%	0.403	C	S	.	.			trans	-122.2	86.7	174.8	-49.4	-82.8	0	0	0	109.4	L201 Q202 D207 Q208 L213 L228 L231 Q232	L201-F205 PolarHBondContact O-N 3.07Å; Q202-F205 CarbonylContact O-C 3.58Å; F205-D207 VanDerWaalsContact C-N 3.27Å; F205-D207 PolarHBondContact O-N 3.48Å; F205-Q208 HydrophobicContact CB-CB 4.11Å; F205-Q208 HydrophobicContact CB-CG 4.09Å; F205-L213 HydrophobicContact CD2-CD2 4.47Å; F205-L228 HydrophobicContact CE2-CD2 4.49Å; F205-L228 HydrophobicContact CE2-CG 4.16Å; F205-L228 HydrophobicContact CZ-CD2 4.41Å; F205-L231 HydrophobicContact CD2-CB 4.02Å; F205-L231 HydrophobicContact CD2-CD1 4.07Å; F205-L231 HydrophobicContact CE1-CB 4.03Å; F205-L231 HydrophobicContact CE2-CB 3.4Å; F205-L231 VanDerWaalsContact CE2-CB 3.4Å; F205-L231 HydrophobicContact CE2-CD1 3.93Å; F205-L231 HydrophobicContact CE2-CG 4.3Å; F205-L231 HydrophobicContact CZ-CB 3.4Å; F205-Q232 HydrophobicContact CE1-CG 4.18Å; F205-Q232 HydrophobicContact CZ-CG 3.82Å
206	P	73.8	Confident	81.9	Confident	90 Å²	90	81.6 Å²	81.6	58%	0.584	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.8	-174.3	-20.4	34.5	0	0	0	113.8	Q202	Q202-P206 WeakPolarHBondContact O-CA 3.19Å
207	D	73.8	Confident	81.9	Confident	161 Å²	161	78.9 Å²	78.9	86%	0.861	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	7.1	-171.8	-47	-71.9	0	0	0	113.2	F205	F205-D207 VanDerWaalsContact C-N 3.27Å; F205-D207 PolarHBondContact O-N 3.48Å
208	Q	74.6	Confident	81.7	Confident	71 Å²	71	81.9 Å²	81.9	33%	0.332	39%	0.385	S	S	.	.	S	Bend	trans	-104.3	143.3	177.8	-80	-89.7	-92.8	0	0	111.4	Q202 F205 E212 L213	Q202-Q208 PolarHBondContact NE2-O 2.72Å; F205-Q208 HydrophobicContact CB-CB 4.11Å; F205-Q208 HydrophobicContact CB-CG 4.09Å; Q208-E212 PolarHBondContact NE2-OE2 3.13Å; Q208-L213 HydrophobicContact CB-CD1 4.15Å; Q208-L213 HydrophobicContact CB-CD2 3.92Å; Q208-L213 HydrophobicContact CB-CG 4.02Å
209	D	84.6	Confident	81.2	Confident	112 Å²	112	88.7 Å²	88.7	60%	0.599	42%	0.416	S	S	*	.			trans	-77.2	149.1	-173.9	-107.1	-37.2	0	0	0	112.5	E211 E212 L213	D209-E211 VanDerWaalsContact C-N 3.34Å; D209-E211 PolarHBondContact O-N 2.91Å; D209-E212 HydrophobicContact CB-CG 4.02Å; D209-E212 PolarHBondContact N-OE2 3.1Å; D209-E212 PolarHBondContact O-N 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.24Å; D209-L213 PolarHBondContact O-N 2.58Å
210	K	82.2	Confident	81	Confident	101 Å²	101	85.5 Å²	85.5	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-40.4	-172.9	-76.4	-177.5	-179.8	167.6	0	113	V198 R214	V198-K210 HydrophobicContact CG1-CB 4.41Å; K210-R214 WeakPolarHBondContact O-CB 3.32Å; K210-R214 PolarHBondContact O-N 2.98Å
211	E	77.4	Confident	81	Confident	125 Å²	125	86.3 Å²	86.3	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-37.2	177.4	-83.7	53.4	-134.2	0	0	111.1	D209 R214 M215	D209-E211 VanDerWaalsContact C-N 3.34Å; D209-E211 PolarHBondContact O-N 2.91Å; E211-R214 WeakPolarHBondContact O-CB 3.43Å; E211-R214 PolarHBondContact O-N 2.96Å; E211-M215 WeakPolarHBondContact O-CG 3.31Å; E211-M215 PolarHBondContact O-N 2.61Å
212	E	79.4	Confident	81.1	Confident	83 Å²	83	87 Å²	87	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-63.7	-51.2	173.6	-58.3	-175.9	136.1	0	0	111.4	Q208 D209 R214 M215 V216	Q208-E212 PolarHBondContact NE2-OE2 3.13Å; D209-E212 HydrophobicContact CB-CG 4.02Å; D209-E212 PolarHBondContact N-OE2 3.1Å; D209-E212 PolarHBondContact O-N 3.26Å; E212-R214 PolarHBondContact O-N 2.89Å; E212-R214 VanDerWaalsContact O-N 3.14Å; E212-M215 PolarHBondContact O-N 3.17Å; E212-V216 PolarHBondContact O-N 3.01Å
213	L	84.8	Confident	81	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-60.6	-23.7	175.8	-63.6	175.1	0	0	0	112.7	V198 L201 Q202 F205 Q208 D209 L217 L231	V198-L213 HydrophobicContact CG1-CB 4.38Å; L201-L213 HydrophobicContact CB-CD1 4.48Å; L201-L213 HydrophobicContact CB-CD2 4.26Å; Q202-L213 HydrophobicContact CB-CD1 3.54Å; Q202-L213 HydrophobicContact CG-CD1 3.85Å; F205-L213 HydrophobicContact CD2-CD2 4.47Å; Q208-L213 HydrophobicContact CB-CD1 4.15Å; Q208-L213 HydrophobicContact CB-CD2 3.92Å; Q208-L213 HydrophobicContact CB-CG 4.02Å; D209-L213 WeakPolarHBondContact O-CG 3.24Å; D209-L213 PolarHBondContact O-N 2.58Å; L213-L217 WeakPolarHBondContact O-CG 3.49Å; L213-L217 PolarHBondContact O-N 2.91Å; L213-L231 HydrophobicContact CD2-CD1 3.41Å; L213-L231 VanDerWaalsContact CD2-CD1 3.41Å; L213-L231 HydrophobicContact CD2-CD2 3.9Å; L213-L231 HydrophobicContact CD2-CG 4.31Å
214	R	87.1	Confident	80.8	Confident	50 Å²	50	80.4 Å²	80.4	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-79.9	-41.5	172.8	-165.4	-175.3	-167.1	135.7	10.9	112.2	W191 V198 K210 E211 E212 L217 Q218 W222	W191-R214 VanDerWaalsContact CE3-NH2 3.27Å; V198-R214 HydrophobicContact CG2-CB 3.97Å; V198-R214 HydrophobicContact CG2-CG 4.06Å; K210-R214 WeakPolarHBondContact O-CB 3.32Å; K210-R214 PolarHBondContact O-N 2.98Å; E211-R214 WeakPolarHBondContact O-CB 3.43Å; E211-R214 PolarHBondContact O-N 2.96Å; E212-R214 PolarHBondContact O-N 2.89Å; E212-R214 VanDerWaalsContact O-N 3.14Å; R214-L217 PolarHBondContact O-N 3.35Å; R214-Q218 WeakPolarHBondContact O-CB 3.49Å; R214-Q218 PolarHBondContact O-N 3.08Å; R214-W222 HydrophobicContact CG-CH2 3.65Å; R214-W222 HydrophobicContact CG-CZ2 4.49Å; R214-W222 HydrophobicContact CG-CZ3 4.33Å
215	M	77.9	Confident	80.8	Confident	120 Å²	120	79.3 Å²	79.3	59%	0.591	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-46.4	175.7	-71.2	-168.7	-64	0	0	110.8	E211 E212 L217 Q218 E219	E211-M215 WeakPolarHBondContact O-CG 3.31Å; E211-M215 PolarHBondContact O-N 2.61Å; E212-M215 PolarHBondContact O-N 3.17Å; M215-L217 VanDerWaalsContact C-N 3.33Å; M215-L217 PolarHBondContact O-N 2.88Å; M215-Q218 PolarHBondContact O-N 3.39Å; M215-E219 WeakPolarHBondContact O-CB 3.47Å; M215-E219 PolarHBondContact O-N 3.03Å
216	V	83.4	Confident	80.3	Confident	26 Å²	26	83.3 Å²	83.3	16%	0.158	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-39	177.5	-177.9	0	0	0	0	111.7	E212 H220 A227 V230 L231	E212-V216 PolarHBondContact O-N 3.01Å; V216-H220 WeakPolarHBondContact O-CB 3.47Å; V216-H220 PolarHBondContact O-CD2 3.08Å; V216-H220 PolarHBondContact O-N 3.04Å; V216-H220 VanDerWaalsContact O-N 3.1Å; V216-A227 HydrophobicContact CG1-CB 3.92Å; V216-V230 HydrophobicContact CG1-CG1 4.39Å; V216-L231 HydrophobicContact CG1-CD1 4.46Å; V216-L231 HydrophobicContact CG1-CG 4.26Å; V216-L231 HydrophobicContact CG2-CD2 4.26Å
217	L	85.9	Confident	80.7	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-41.8	171.8	-83.2	167.6	0	0	0	112.3	M197 V198 L201 L213 R214 M215 H220 N221 W222 V224 A227	M197-L217 HydrophobicContact CB-CD1 3.81Å; M197-L217 HydrophobicContact CB-CD2 4.45Å; V198-L217 HydrophobicContact CB-CD1 4.44Å; V198-L217 HydrophobicContact CG2-CD1 3.73Å; L201-L217 HydrophobicContact CD1-CD1 3.67Å; L201-L217 HydrophobicContact CD1-CD2 3.96Å; L201-L217 HydrophobicContact CD1-CG 3.55Å; L201-L217 HydrophobicContact CG-CD1 4.45Å; L213-L217 WeakPolarHBondContact O-CG 3.49Å; L213-L217 PolarHBondContact O-N 2.91Å; R214-L217 PolarHBondContact O-N 3.35Å; M215-L217 VanDerWaalsContact C-N 3.33Å; M215-L217 PolarHBondContact O-N 2.88Å; L217-H220 CarbonylContact O-C 3.48Å; L217-H220 PolarHBondContact O-N 3.12Å; L217-N221 PolarHBondContact O-N 3.46Å; L217-W222 HydrophobicContact CB-CD2 4.42Å; L217-W222 HydrophobicContact CB-CE3 3.77Å; L217-W222 HydrophobicContact CB-CZ3 3.95Å; L217-W222 HydrophobicContact CD1-CE3 4.22Å; L217-W222 HydrophobicContact CD1-CZ3 4.11Å; L217-W222 HydrophobicContact CG-CE3 4.44Å; L217-W222 VanDerWaalsContact O-CA 3.27Å; L217-W222 WeakPolarHBondContact O-CA 3.39Å; L217-W222 PolarHBondContact O-N 3.32Å; L217-V224 HydrophobicContact CD2-CB 4.5Å; L217-V224 HydrophobicContact CD2-CG2 4.03Å; L217-A227 HydrophobicContact CD2-CB 3.83Å; L217-A227 HydrophobicContact CG-CB 4.2Å
218	Q	80.7	Confident	80.8	Confident	109 Å²	109	73.2 Å²	73.2	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-69.9	-36.2	-178.6	-168.8	170	5.5	0	0	112.2	R214 M215 H220 N221 W222	R214-Q218 WeakPolarHBondContact O-CB 3.49Å; R214-Q218 PolarHBondContact O-N 3.08Å; M215-Q218 PolarHBondContact O-N 3.39Å; Q218-H220 VanDerWaalsContact C-N 3.32Å; Q218-N221 PolarHBondContact O-N 2.9Å; Q218-W222 HydrophobicContact CB-CZ2 4.44Å
219	E	77.4	Confident	80.6	Confident	152 Å²	152	76 Å²	76	71%	0.71	37%	0.367	S	S	*	.	H	α-helix	trans	-65.7	-33.9	173.3	-169.5	164.1	-152.6	0	0	111.9	M215	M215-E219 WeakPolarHBondContact O-CB 3.47Å; M215-E219 PolarHBondContact O-N 3.03Å
220	H	82.9	Confident	80.1	Confident	44 Å²	44	72.5 Å²	72.5	20%	0.204	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	33.3	174.6	-74.3	-87.2	0	0	0	114.3	V216 L217 Q218 W222 D223 E226	V216-H220 WeakPolarHBondContact O-CB 3.47Å; V216-H220 PolarHBondContact O-CD2 3.08Å; V216-H220 PolarHBondContact O-N 3.04Å; V216-H220 VanDerWaalsContact O-N 3.1Å; L217-H220 CarbonylContact O-C 3.48Å; L217-H220 PolarHBondContact O-N 3.12Å; Q218-H220 VanDerWaalsContact C-N 3.32Å; H220-W222 PolarHBondContact O-N 3.44Å; H220-D223 PolarHBondContact O-N 3.44Å; H220-E226 HydrophobicContact CB-CB 4.21Å; H220-E226 IonicContact CE1-OE2 3.24Å; H220-E226 IonicContact CG-OE2 2.75Å; H220-E226 IonicContact ND1-OE2 3.77Å; H220-E226 PolarHBondContact ND1-OE2 3.06Å
221	N	84.1	Confident	79.7	Confident	147 Å²	147	68 Å²	68	79%	0.786	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	31.1	173.8	-63.5	-63.3	0	0	0	115.2	L217 Q218 D223	L217-N221 PolarHBondContact O-N 3.46Å; Q218-N221 PolarHBondContact O-N 2.9Å; N221-D223 VanDerWaalsContact C-N 3.29Å; N221-D223 PolarHBondContact O-N 2.93Å
222	W	84.6	Confident	79.1	Confident	14 Å²	14	65.6 Å²	65.6	5%	0.053	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	17.6	-174.2	-62.1	94.4	0	0	0	116.2	E188 P189 Q194 M197 V198 R214 L217 Q218 H220	E188-W222 PolarHBondContact OE1-NE1 2.71Å; P189-W222 HydrophobicContact CG-CB 3.58Å; P189-W222 HydrophobicContact CG-CD2 4.12Å; P189-W222 HydrophobicContact CG-CG 3.58Å; Q194-W222 HydrophobicContact CB-CE3 3.99Å; Q194-W222 HydrophobicContact CB-CH2 3.55Å; Q194-W222 HydrophobicContact CB-CZ2 4.2Å; Q194-W222 HydrophobicContact CB-CZ3 3.44Å; Q194-W222 VanDerWaalsContact CB-CZ3 3.44Å; Q194-W222 HydrophobicContact CG-CD2 3.9Å; Q194-W222 HydrophobicContact CG-CE3 3.78Å; Q194-W222 HydrophobicContact CG-CH2 3.58Å; Q194-W222 HydrophobicContact CG-CZ2 3.69Å; Q194-W222 HydrophobicContact CG-CZ3 3.63Å; M197-W222 WeakPolarHBondContact CE-O 3.41Å; M197-W222 HydrophobicContact SD-CB 4.29Å; M197-W222 HydrophobicContact SD-CE3 4.14Å; V198-W222 HydrophobicContact CG2-CZ3 4.33Å; R214-W222 HydrophobicContact CG-CH2 3.65Å; R214-W222 HydrophobicContact CG-CZ2 4.49Å; R214-W222 HydrophobicContact CG-CZ3 4.33Å; L217-W222 HydrophobicContact CB-CD2 4.42Å; L217-W222 HydrophobicContact CB-CE3 3.77Å; L217-W222 HydrophobicContact CB-CZ3 3.95Å; L217-W222 HydrophobicContact CD1-CE3 4.22Å; L217-W222 HydrophobicContact CD1-CZ3 4.11Å; L217-W222 HydrophobicContact CG-CE3 4.44Å; L217-W222 VanDerWaalsContact O-CA 3.27Å; L217-W222 WeakPolarHBondContact O-CA 3.39Å; L217-W222 PolarHBondContact O-N 3.32Å; Q218-W222 HydrophobicContact CB-CZ2 4.44Å; H220-W222 PolarHBondContact O-N 3.44Å
223	D	83.8	Confident	77.7	Confident	79 Å²	79	68.7 Å²	68.7	42%	0.422	34%	0.335	S	S	.	.			trans	-76	125.6	169.3	-161.1	-66.6	0	0	0	111.3	H220 N221 E225 E226 A227	H220-D223 PolarHBondContact O-N 3.44Å; N221-D223 VanDerWaalsContact C-N 3.29Å; N221-D223 PolarHBondContact O-N 2.93Å; D223-E225 PolarHBondContact OD1-N 2.87Å; D223-E226 HydrophobicContact CB-CB 4.46Å; D223-E226 HydrophobicContact CB-CG 4.46Å; D223-E226 PolarHBondContact OD1-N 2.85Å; D223-A227 VanDerWaalsContact O-CB 3.3Å; D223-A227 WeakPolarHBondContact O-CB 3.29Å; D223-A227 PolarHBondContact O-N 3.2Å
224	V	78.2	Confident	76	Confident	16 Å²	16	75.8 Å²	75.8	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-83.4	-24.4	-176.3	-172.6	0	0	0	0	112.2	M197 K200 L201 L217 L228	M197-V224 HydrophobicContact CB-CG2 3.81Å; M197-V224 HydrophobicContact CE-CG2 4.29Å; M197-V224 HydrophobicContact CG-CG2 3.59Å; M197-V224 HydrophobicContact SD-CG2 4.47Å; K200-V224 HydrophobicContact CD-CG1 4.19Å; L201-V224 HydrophobicContact CD2-CG1 3.92Å; L201-V224 HydrophobicContact CG-CG1 4.25Å; L217-V224 HydrophobicContact CD2-CB 4.5Å; L217-V224 HydrophobicContact CD2-CG2 4.03Å; V224-L228 WeakPolarHBondContact O-CB 3.27Å; V224-L228 PolarHBondContact O-N 2.84Å; V224-L228 VanDerWaalsContact O-N 3.14Å
225	E	75.5	Confident	74.2	Confident	145 Å²	145	76.4 Å²	76.4	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-82.2	-37	-178.7	-65.5	-171.2	176.4	0	0	111.4	D223 Q229	D223-E225 PolarHBondContact OD1-N 2.87Å; E225-Q229 WeakPolarHBondContact O-CG 3.31Å; E225-Q229 PolarHBondContact O-N 2.88Å; E225-Q229 VanDerWaalsContact O-N 3.13Å
226	E	74.4	Confident	72.4	Confident	105 Å²	105	77.9 Å²	77.9	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-65	-52	169.2	-65.5	-162.8	174.5	0	0	111.8	H220 D223 L228 Q229 V230	H220-E226 HydrophobicContact CB-CB 4.21Å; H220-E226 IonicContact CE1-OE2 3.24Å; H220-E226 IonicContact CG-OE2 2.75Å; H220-E226 IonicContact ND1-OE2 3.77Å; H220-E226 PolarHBondContact ND1-OE2 3.06Å; D223-E226 HydrophobicContact CB-CB 4.46Å; D223-E226 HydrophobicContact CB-CG 4.46Å; D223-E226 PolarHBondContact OD1-N 2.85Å; E226-L228 VanDerWaalsContact C-N 3.25Å; E226-L228 PolarHBondContact O-N 3.45Å; E226-Q229 PolarHBondContact O-N 2.7Å; E226-Q229 VanDerWaalsContact O-N 3.09Å; E226-V230 PolarHBondContact O-N 3.17Å
227	A	81.3	Confident	70.3	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-58.2	-36.1	179.8	0	0	0	0	0	112.8	L201 V216 L217 D223 L231	L201-A227 HydrophobicContact CD1-CB 4.04Å; V216-A227 HydrophobicContact CG1-CB 3.92Å; L217-A227 HydrophobicContact CD2-CB 3.83Å; L217-A227 HydrophobicContact CG-CB 4.2Å; D223-A227 VanDerWaalsContact O-CB 3.3Å; D223-A227 WeakPolarHBondContact O-CB 3.29Å; D223-A227 PolarHBondContact O-N 3.2Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 WeakPolarHBondContact O-CD1 3.46Å; A227-L231 VanDerWaalsContact O-CG 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.49Å; A227-L231 PolarHBondContact O-N 2.75Å
228	L	76.5	Confident	67.7	Low	38 Å²	38	86.3 Å²	86.3	20%	0.199	43%	0.434	C	S	.	.	H	α-helix	trans	-72.4	-36.7	177.7	-158.1	164.7	0	0	0	111.7	L201 R204 F205 V224 E226 Q232	L201-L228 HydrophobicContact CD2-CB 3.66Å; L201-L228 HydrophobicContact CD2-CD1 4.06Å; L201-L228 HydrophobicContact CD2-CG 3.86Å; R204-L228 HydrophobicContact CG-CD2 4.43Å; F205-L228 HydrophobicContact CE2-CD2 4.49Å; F205-L228 HydrophobicContact CE2-CG 4.16Å; F205-L228 HydrophobicContact CZ-CD2 4.41Å; V224-L228 WeakPolarHBondContact O-CB 3.27Å; V224-L228 PolarHBondContact O-N 2.84Å; V224-L228 VanDerWaalsContact O-N 3.14Å; E226-L228 VanDerWaalsContact C-N 3.25Å; E226-L228 PolarHBondContact O-N 3.45Å; L228-Q232 HydrophobicContact CD2-CG 4.02Å; L228-Q232 WeakPolarHBondContact O-CB 3.49Å; L228-Q232 PolarHBondContact O-N 3.44Å
229	Q	71.6	Confident	65.3	Low	131 Å²	131	88.8 Å²	88.8	61%	0.612	45%	0.451	S	S	*	.	H	α-helix	trans	-61.8	-46.6	172.2	-76	-179.7	21	0	0	111.7	E225 E226 Q232 M233	E225-Q229 WeakPolarHBondContact O-CG 3.31Å; E225-Q229 PolarHBondContact O-N 2.88Å; E225-Q229 VanDerWaalsContact O-N 3.13Å; E226-Q229 PolarHBondContact O-N 2.7Å; E226-Q229 VanDerWaalsContact O-N 3.09Å; Q229-Q232 PolarHBondContact O-N 2.96Å; Q229-M233 WeakPolarHBondContact O-CG 3.29Å; Q229-M233 PolarHBondContact O-N 2.8Å
230	V	72.9	Confident	62.9	Low	37 Å²	37	86.8 Å²	86.8	22%	0.224	45%	0.453	C	S	.	.	H	α-helix	trans	-62.2	-46.8	179	173.8	0	0	0	0	111.3	V216 E226 Q232 M233 F234	V216-V230 HydrophobicContact CG1-CG1 4.39Å; E226-V230 PolarHBondContact O-N 3.17Å; V230-Q232 VanDerWaalsContact C-N 3.33Å; V230-Q232 PolarHBondContact O-N 3.24Å; V230-M233 PolarHBondContact O-N 2.88Å; V230-F234 HydrophobicContact CG1-CD2 3.98Å; V230-F234 HydrophobicContact CG1-CE2 3.63Å; V230-F234 WeakPolarHBondContact O-CD2 3.48Å; V230-F234 PolarHBondContact O-N 2.86Å
231	L	73.5	Confident	60.4	Low	8 Å²	8	90.6 Å²	90.6	4%	0.042	49%	0.485	C	S	.	.	H	α-helix	trans	-64.3	-33.8	175.4	-71.8	162.7	0	0	0	112.9	L201 F205 L213 V216 A227 F234 S235	L201-L231 HydrophobicContact CD1-CD1 3.86Å; L201-L231 HydrophobicContact CD2-CD1 4.3Å; L201-L231 HydrophobicContact CG-CD1 4.49Å; F205-L231 HydrophobicContact CD2-CB 4.02Å; F205-L231 HydrophobicContact CD2-CD1 4.07Å; F205-L231 HydrophobicContact CE1-CB 4.03Å; F205-L231 HydrophobicContact CE2-CB 3.4Å; F205-L231 VanDerWaalsContact CE2-CB 3.4Å; F205-L231 HydrophobicContact CE2-CD1 3.93Å; F205-L231 HydrophobicContact CE2-CG 4.3Å; F205-L231 HydrophobicContact CZ-CB 3.4Å; L213-L231 HydrophobicContact CD2-CD1 3.41Å; L213-L231 VanDerWaalsContact CD2-CD1 3.41Å; L213-L231 HydrophobicContact CD2-CD2 3.9Å; L213-L231 HydrophobicContact CD2-CG 4.31Å; V216-L231 HydrophobicContact CG1-CD1 4.46Å; V216-L231 HydrophobicContact CG1-CG 4.26Å; V216-L231 HydrophobicContact CG2-CD2 4.26Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 WeakPolarHBondContact O-CD1 3.46Å; A227-L231 VanDerWaalsContact O-CG 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.49Å; A227-L231 PolarHBondContact O-N 2.75Å; L231-F234 PolarHBondContact O-N 3.02Å; L231-S235 WeakPolarHBondContact O-CB 3.26Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.28Å
232	Q	65.8	Low	57.7	Low	74 Å²	74	89.3 Å²	89.3	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-45.9	172.2	-85.9	-170.9	-94.4	0	0	111.5	F205 L228 Q229 V230 F234 S235 E236	F205-Q232 HydrophobicContact CE1-CG 4.18Å; F205-Q232 HydrophobicContact CZ-CG 3.82Å; L228-Q232 HydrophobicContact CD2-CG 4.02Å; L228-Q232 WeakPolarHBondContact O-CB 3.49Å; L228-Q232 PolarHBondContact O-N 3.44Å; Q229-Q232 PolarHBondContact O-N 2.96Å; V230-Q232 VanDerWaalsContact C-N 3.33Å; V230-Q232 PolarHBondContact O-N 3.24Å; Q232-F234 PolarHBondContact O-N 3.21Å; Q232-S235 WeakPolarHBondContact CA-OG 3.43Å; Q232-S235 PolarHBondContact O-N 3.4Å; Q232-S235 VanDerWaalsContact O-N 3.08Å; Q232-S235 PolarHBondContact O-OG 2.9Å; Q232-E236 PolarHBondContact O-N 2.77Å
233	M	49.2	Very low	54.8	Low	148 Å²	148	94.2 Å²	94.2	73%	0.729	52%	0.519	S	S	*	.	H	α-helix	trans	-58.7	-33.3	179.1	-72.2	173.4	60.3	0	0	113.1	Q229 V230	Q229-M233 WeakPolarHBondContact O-CG 3.29Å; Q229-M233 PolarHBondContact O-N 2.8Å; V230-M233 PolarHBondContact O-N 2.88Å
234	F	48.7	Very low	52.1	Low	148 Å²	148	97.8 Å²	97.8	65%	0.649	54%	0.537	S	S	*	.	H	α-helix	trans	-82.4	-31	173.8	-68.1	-61.3	0	0	0	113.7	V230 L231 Q232 E236 S237	V230-F234 HydrophobicContact CG1-CD2 3.98Å; V230-F234 HydrophobicContact CG1-CE2 3.63Å; V230-F234 WeakPolarHBondContact O-CD2 3.48Å; V230-F234 PolarHBondContact O-N 2.86Å; L231-F234 PolarHBondContact O-N 3.02Å; Q232-F234 PolarHBondContact O-N 3.21Å; F234-E236 VanDerWaalsContact C-N 3.29Å; F234-E236 PolarHBondContact O-N 2.93Å; F234-S237 PolarHBondContact O-OG 3.35Å; F234-S237 VanDerWaalsContact O-OG 3.1Å
235	S	49.7	Very low	49.5	Very low	64 Å²	64	103.1 Å²	103.1	45%	0.448	57%	0.569	S	S	.	*	H	α-helix	trans	-70.7	-18.6	-178.9	70.1	0	0	0	0	115.2	L231 Q232	L231-S235 WeakPolarHBondContact O-CB 3.26Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.28Å; Q232-S235 WeakPolarHBondContact CA-OG 3.43Å; Q232-S235 PolarHBondContact O-N 3.4Å; Q232-S235 VanDerWaalsContact O-N 3.08Å; Q232-S235 PolarHBondContact O-OG 2.9Å
236	E	40.2	Very low	47.1	Very low	151 Å²	151	102.9 Å²	102.9	71%	0.706	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-1	-174.2	-67.3	-172.9	174.3	0	0	114.4	Q232 F234 D238	Q232-E236 PolarHBondContact O-N 2.77Å; F234-E236 VanDerWaalsContact C-N 3.29Å; F234-E236 PolarHBondContact O-N 2.93Å; E236-D238 PolarHBondContact O-N 2.91Å
237	S	38.5	Very low	44.7	Very low	73 Å²	73	104.1 Å²	104.1	51%	0.51	59%	0.588	S	S	.	*	S	Bend	trans	-74.2	-23.1	-177.9	50.3	0	0	0	0	115.6	F234 N239	F234-S237 PolarHBondContact O-OG 3.35Å; F234-S237 VanDerWaalsContact O-OG 3.1Å; S237-N239 PolarHBondContact O-N 3.45Å
238	D	31.6	Very low	41.9	Very low	130 Å²	130	113.1 Å²	113.1	70%	0.695	63%	0.63	S	S	*	*	S	Bend	trans	-97.5	7.6	-154	-74.6	21.4	0	0	0	115.3	E236	E236-D238 PolarHBondContact O-N 2.91Å
239	N	30.6	Very low	39.4	Very low	161 Å²	161	118.5 Å²	118.5	86%	0.861	66%	0.655	S	S	*	*			trans	-126	50.5	-172	-95	-66.3	0	0	0	115.9	S237	S237-N239 PolarHBondContact O-N 3.45Å
240	S	26.6	Very low	37.2	Very low	109 Å²	109	121.9 Å²	121.9	76%	0.762	67%	0.67	S	S	*	*			trans	-148.6	72.5	159.8	71.7	0	0	0	0	114.8
241	S	31.3	Very low	34.8	Very low	124 Å²	124	128.2 Å²	128.2	87%	0.867	70%	0.695	S	S	*	*			trans	-69.9	138.3	171.4	-41.6	0	0	0	0	112
242	T	27.5	Very low	32.4	Very low	121 Å²	121	133.5 Å²	133.5	74%	0.742	73%	0.732	S	S	*	*			trans	-85.1	125.8	179.3	-62.2	0	0	0	0	112	L244	T242-L244 HydrophobicContact CG2-CD2 4.38Å; T242-L244 HydrophobicContact CG2-CG 4.17Å; T242-L244 PolarHBondContact O-N 3.24Å
243	S	24.2	Very low	30.4	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	76%	0.76	S	S	*	*			trans	-83.1	99.7	170.9	60.7	0	0	0	0	111.7
244	L	25.8	Very low	29.1	Very low	155 Å²	155	136.6 Å²	136.6	81%	0.812	76%	0.761	S	S	*	*			trans	-94.4	124.2	170	-71.6	173.6	0	0	0	111	T242	T242-L244 HydrophobicContact CG2-CD2 4.38Å; T242-L244 HydrophobicContact CG2-CG 4.17Å; T242-L244 PolarHBondContact O-N 3.24Å
245	V	24.8	Very low	27.9	Very low	127 Å²	127	139.5 Å²	139.5	77%	0.77	77%	0.774	S	S	*	*			trans	-137.4	106.5	165.8	-177.7	0	0	0	0	110.5
246	I	24.1	Very low	26.6	Very low	140 Å²	140	140.8 Å²	140.8	72%	0.718	79%	0.789	S	S	*	*			trans	27.7	124.7	134.5	-50.3	171.4	0	0	0	117.4
247	P	23.3	Very low	25.8	Very low	131 Å²	131	142.1 Å²	142.1	85%	0.851	80%	0.795	S	S	*	*			trans	-76.1	125.6	164.1	29.5	-27.1	0	0	0	111.3
248	E	23.9	Very low	25	Very low	189 Å²	189	144 Å²	144	88%	0.883	81%	0.808	S	S	*	*			trans	-105.8	145.5	169.9	-100.8	-162.7	151.6	0	0	112.3
249	E	23.8	Very low	24.7	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	81%	0.807	S	S	*	*			trans	-68.7	149.3	175.2	-56.2	-176	128.2	0	0	112.4	K251	E249-K251 PolarHBondContact O-N 2.93Å; E249-K251 IonicContact OE2-NZ 2.69Å; E249-K251 PolarHBondContact OE2-NZ 3.16Å
250	Q	24.6	Very low	24.5	Very low	201 Å²	201	145.8 Å²	145.8	94%	0.939	81%	0.805	S	S	*	*			trans	-70.7	115.6	167.2	-67.1	-173.3	-0.6	0	0	111.3
251	K	22.5	Very low	24.4	Very low	170 Å²	170	146.7 Å²	146.7	74%	0.739	80%	0.802	S	S	*	*			trans	-123.1	126.2	160.2	-85.3	172.9	-179.6	119.9	0	111.7	E249	E249-K251 PolarHBondContact O-N 2.93Å; E249-K251 IonicContact OE2-NZ 2.69Å; E249-K251 PolarHBondContact OE2-NZ 3.16Å
252	S	22.9	Very low	24.1	Very low	119 Å²	119	150.3 Å²	150.3	83%	0.832	80%	0.798	S	S	*	*			trans	-73.8	153.1	179.2	52.7	0	0	0	0	111.9
253	K	24.1	Very low	24	Very low	214 Å²	214	148.4 Å²	148.4	93%	0.93	79%	0.79	S	S	*	*			trans	-114.2	85.9	169	-83.4	-176.8	174.9	171.6	0	111.3
254	G	22.5	Very low	24.2	Very low	73 Å²	73	150.6 Å²	150.6	75%	0.753	79%	0.787	S	S	*	*			trans	-77.6	165.5	155.8	0	0	0	0	0	111.4
255	K	22.3	Very low	24.1	Very low	209 Å²	209	149.8 Å²	149.8	91%	0.909	78%	0.784	S	S	*	*			trans	-91.3	140	-173.8	-69.5	176.4	177.2	175.1	0	113.7
256	A	23.3	Very low	24.2	Very low	92 Å²	92	150 Å²	150	76%	0.76	78%	0.78	S	S	*	*			trans	76.7	152.4	135.4	0	0	0	0	0	122.7
257	E	22.9	Very low	24.2	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	78%	0.78	S	S	*	*			trans	71.9	110.8	155.7	-73.3	-179.3	157.3	0	0	123.1
258	S	22.6	Very low	24.4	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	78%	0.776	S	S	*	*			trans	73.5	150.9	148.2	83.7	0	0	0	0	117.7
259	T	25.5	Very low	24.6	Very low	112 Å²	112	146.6 Å²	146.6	69%	0.687	77%	0.77	S	S	*	*			cis	-151.7	164	-5.6	-12.8	0	0	0	0	110.6
260	R	25.3	Very low	24.7	Very low	217 Å²	217	144 Å²	144	82%	0.819	76%	0.761	S	S	*	*			trans	13.5	145.9	147.4	-67.5	168.3	-176.2	169.1	0.9	120
261	N	25.5	Very low	24.8	Very low	129 Å²	129	143.5 Å²	143.5	69%	0.69	75%	0.751	S	S	*	*			cis	-172.5	163.7	-2.8	-110.3	12.4	0	0	0	109.2
262	Y	24.3	Very low	24.9	Very low	199 Å²	199	143.2 Å²	143.2	78%	0.78	75%	0.754	S	S	*	*			trans	21.7	143.7	140.3	-72.3	-106.5	0	0	0	121.5
263	S	26	Very low	25	Very low	82 Å²	82	141.7 Å²	141.7	57%	0.573	74%	0.743	S	S	*	*			cis	-179.5	149.4	-5.9	46.6	0	0	0	0	113.1
264	E	27.3	Very low	25	Very low	161 Å²	161	137 Å²	137	75%	0.752	73%	0.733	S	S	*	*			trans	62.7	155	136.1	-67.7	166.2	143.3	0	0	123.9
265	D	25.3	Very low	25.1	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	73%	0.731	S	S	*	*			trans	68.2	150.8	155.8	-73.5	-14.5	0	0	0	122.7
266	N	26.1	Very low	25.3	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	72%	0.717	S	S	*	*			cis	-172.4	161.1	-39.7	-133.4	-46.4	0	0	0	110
267	S	25.1	Very low	25.3	Very low	103 Å²	103	138 Å²	138	72%	0.72	72%	0.716	S	S	*	*			trans	61.4	167.1	161.9	79.5	0	0	0	0	116.9
268	E	27.2	Very low	25.4	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	71%	0.711	S	S	*	*			cis	-162.2	151	-20	-124.3	-175.5	164.7	0	0	110.2
269	T	27.8	Very low	25.5	Very low	123 Å²	123	135 Å²	135	76%	0.755	70%	0.704	S	S	*	*			trans	62.2	175.1	161	67.3	0	0	0	0	116.9
270	D	26.1	Very low	25.4	Very low	99 Å²	99	134.6 Å²	134.6	53%	0.529	71%	0.706	S	S	.	*			cis	-155.1	164.3	11.2	-153.2	-8.4	0	0	0	113.1
271	R	25.3	Very low	25.5	Very low	190 Å²	190	128.6 Å²	128.6	72%	0.717	70%	0.703	S	S	*	*			trans	35.3	129	157.1	-86.1	158.6	-104.8	-159.6	4.6	121.8
272	M	26.4	Very low	25.6	Very low	164 Å²	164	129.5 Å²	129.5	81%	0.808	71%	0.708	S	S	*	*				54.8	138.9	87.4	-55.1	173.5	57.8	0	0	114.1
273	S	24.7	Very low	25.7	Very low	87 Å²	87	124.5 Å²	124.5	61%	0.608	70%	0.702	S	S	*	*			cis	-165.1	167.5	37.5	-38.5	0	0	0	0	112.6
274	T	24.4	Very low	25.8	Very low	116 Å²	116	126.6 Å²	126.6	71%	0.712	71%	0.707	S	S	*	*			trans	25	147.7	133.4	61.1	0	0	0	0	121.4
275	D	24.9	Very low	25.8	Very low	133 Å²	133	125.2 Å²	125.2	71%	0.711	71%	0.705	S	S	*	*			cis	-166.9	168.2	9.7	-119.2	-25.1	0	0	0	114.9
276	T	24.6	Very low	25.8	Very low	101 Å²	101	123.1 Å²	123.1	62%	0.62	70%	0.701	S	S	*	*			trans	31	123.8	151.1	60.4	0	0	0	0	124.3
277	E	25.1	Very low	25.8	Very low	159 Å²	159	124.9 Å²	124.9	74%	0.743	71%	0.705	S	S	*	*				84.2	146	121.2	-74.4	-174.6	-155.6	0	0	125.5
278	N	24.3	Very low	25.7	Very low	135 Å²	135	128.8 Å²	128.8	72%	0.722	71%	0.709	S	S	*	*			trans	67.1	151.2	152.7	-62.8	-35.3	0	0	0	120.4
279	S	24.3	Very low	26.5	Very low	92 Å²	92	126 Å²	126	64%	0.643	71%	0.705	S	S	*	*			cis	-171.3	147.1	-30.7	54.3	0	0	0	0	110.2
280	S	24.2	Very low	26.4	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	71%	0.711	S	S	*	*			trans	49.1	122.8	150.8	63.2	0	0	0	0	122.6
281	A	27.1	Very low	27.6	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	72%	0.719	S	S	*	*			trans	71.5	159.5	139.7	0	0	0	0	0	118.7
282	D	26.4	Very low	27.5	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	73%	0.728	S	S	*	*			cis	-150.3	-171.2	3.5	-141.9	-40	0	0	0	112.6
283	S	26.8	Very low	27.5	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	73%	0.729	S	S	*	*			trans	-38	165.3	170.8	59.5	0	0	0	0	117.8
284	D	28.1	Very low	27.7	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	73%	0.733	S	S	*	*				178.5	164.2	53.5	-170.1	20.2	0	0	0	114.5
285	N	27.1	Very low	27.8	Very low	132 Å²	132	138.6 Å²	138.6	71%	0.706	73%	0.732	S	S	*	*			trans	46.9	163.5	154.2	-84.7	-43.2	0	0	0	122.6
286	S	26.4	Very low	27.8	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	74%	0.736	S	S	*	*			cis	-169.6	-174.6	-24.3	63.4	0	0	0	0	112.9
287	E	24.7	Very low	27.7	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	74%	0.742	S	S	*	*			trans	73.5	135.4	169.7	-50.3	-139.8	102.2	0	0	119
288	K	24.3	Very low	27.8	Very low	185 Å²	185	140.1 Å²	140.1	80%	0.804	74%	0.739	S	S	*	*			cis	89.5	155.3	35.9	-73.8	-179.4	-175	162.3	0	115
289	P	43.3	Very low	27.9	Very low	105 Å²	105	144 Å²	144	68%	0.682	74%	0.743	S	S	*	*			cis	-149.6	145.9	-40.9	40.9	-21.6	0	0	0	119.4
290	K	26.1	Very low	28.1	Very low	200 Å²	200	145.3 Å²	145.3	87%	0.87	74%	0.743	S	S	*	*			trans	62.5	178.7	138.6	-79.4	176.8	-178.8	173.8	0	121.8
291	P	51	Low	28.2	Very low	110 Å²	110	149.4 Å²	149.4	71%	0.714	74%	0.744	S	S	*	*			cis	-141.6	166.8	-33.7	35.7	-17	0	0	0	118.4
292	K	23.3	Very low	28.1	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	74%	0.743	S	S	*	*			trans	178.1	124.3	145.1	-96.2	154.4	-173.6	175.7	0	109.3
293	R	27.2	Very low	27.9	Very low	220 Å²	220	153.9 Å²	153.9	83%	0.83	75%	0.747	S	S	*	*				65.5	134.3	70.3	-94.6	-170.7	174.1	-176.3	1.9	115.1
294	K	27.3	Very low	27.9	Very low	161 Å²	161	154.2 Å²	154.2	70%	0.7	75%	0.749	S	S	*	*			cis	-171.1	166.3	4.6	-157.4	-178.6	-176.7	-172.2	0	112.3
295	Q	26.5	Very low	27.6	Very low	148 Å²	148	155.7 Å²	155.7	69%	0.692	76%	0.757	S	S	*	*			trans	86	144.9	161.9	-67.1	-159.5	73.5	0	0	119.7
296	R	24.7	Very low	27.5	Very low	208 Å²	208	154.3 Å²	154.3	79%	0.785	75%	0.753	S	S	*	*			cis	-173	148.6	-18.4	-163.9	-179.1	-169.5	172.2	-3.3	114.1
297	S	24	Very low	27.4	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	76%	0.757	S	S	*	*			trans	73.2	155.7	157.2	78.2	0	0	0	0	119.2
298	T	25.9	Very low	27.4	Very low	110 Å²	110	158.3 Å²	158.3	68%	0.675	76%	0.759	S	S	*	*			cis	-148.4	144.1	8.6	40.4	0	0	0	0	114.3
299	R	27.2	Very low	27.4	Very low	216 Å²	216	153.5 Å²	153.5	82%	0.815	75%	0.748	S	S	*	*			trans	57.8	161.6	141.5	-65.2	-167.7	158.3	132.3	-1	121.5
300	D	29.4	Very low	26.5	Very low	120 Å²	120	154.3 Å²	154.3	64%	0.642	75%	0.751	S	S	*	*			cis	-163.5	149.4	-29.3	-88.4	-20.4	0	0	0	104.2
301	Y	24.8	Very low	26.5	Very low	190 Å²	190	151.1 Å²	151.1	75%	0.745	74%	0.74	S	S	*	*				-163.1	139.5	69.7	-129.6	-95.7	0	0	0	113.4
302	K	25.3	Very low	25.3	Very low	170 Å²	170	155.2 Å²	155.2	74%	0.739	74%	0.741	S	S	*	*			trans	-0.2	127.1	164.9	-54.9	174.7	-172.2	173.2	0	119.9
303	D	22.7	Very low	25.4	Very low	162 Å²	162	154.3 Å²	154.3	87%	0.866	74%	0.737	S	S	*	*				-143	133.8	117.5	-144.9	-16.9	0	0	0	110.2
304	S	25.7	Very low	25.3	Very low	101 Å²	101	150.5 Å²	150.5	71%	0.706	73%	0.731	S	S	*	*			trans	166.4	122.4	172.3	33.9	0	0	0	0	115.3
305	N	22.1	Very low	25.2	Very low	158 Å²	158	151 Å²	151	85%	0.845	74%	0.736	S	S	*	*			trans	172.8	142.3	136.9	-98.1	-12.5	0	0	0	110.4
306	V	25.4	Very low	25.1	Very low	103 Å²	103	148.9 Å²	148.9	62%	0.624	74%	0.744	S	S	*	*			cis	-158.7	150.1	-12.3	92	0	0	0	0	110.6
307	Q	24.5	Very low	25.2	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.752	74%	0.744	S	S	*	*			trans	13.8	138.2	156.1	-56	161.7	-12.4	0	0	119.9
308	K	23.9	Very low	25.4	Very low	185 Å²	185	150.4 Å²	150.4	80%	0.804	75%	0.747	S	S	*	*				-177.8	164.2	71.2	-85.6	-174.6	-176.7	172.8	0	109.6
309	S	24.2	Very low	25.3	Very low	83 Å²	83	154.1 Å²	154.1	58%	0.58	76%	0.757	S	S	*	*			cis	-176.5	160.9	-19.2	56.5	0	0	0	0	109.8
310	T	25.3	Very low	25.4	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	76%	0.757	S	S	*	*			trans	63.9	147	155.9	50.9	0	0	0	0	118.7
311	E	26.6	Very low	25.9	Very low	134 Å²	134	151.2 Å²	151.2	63%	0.626	76%	0.764	S	S	*	*			cis	-162.4	152.8	-1.2	-117.6	-174	156.2	0	0	114.7
312	R	25.5	Very low	26	Very low	196 Å²	196	151.9 Å²	151.9	74%	0.74	77%	0.771	S	S	*	*			trans	60.8	124.8	145.4	-66	172.4	-163.2	-165.1	15.3	124.8
313	K	24.8	Very low	26.1	Very low	186 Å²	186	150.1 Å²	150.1	81%	0.809	77%	0.77	S	S	*	*			trans	62.9	120.3	136.8	-65.5	-166.3	169.9	-166	0	119.5
314	I	26.1	Very low	26.4	Very low	139 Å²	139	148 Å²	148	71%	0.713	76%	0.755	S	S	*	*				99.4	100.9	52	-74.9	169.3	0	0	0	112.8
315	E	24.6	Very low	26.3	Very low	173 Å²	173	152.1 Å²	152.1	81%	0.808	75%	0.754	S	S	*	*			trans	40.8	131.1	135.3	-56.6	164.3	156.2	0	0	122.9
316	A	25.1	Very low	26.5	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	75%	0.745	S	S	*	*				-168.9	158.5	116.3	0	0	0	0	0	113.5
317	H	25.9	Very low	26.7	Very low	173 Å²	173	151.4 Å²	151.4	80%	0.801	75%	0.751	S	S	*	*			trans	-80.1	163.6	-159.9	-71.8	-101.2	0	0	0	120
318	H	28.4	Very low	26.9	Very low	174 Å²	174	148.9 Å²	148.9	81%	0.806	74%	0.743	S	S	*	*			trans	-3.3	145.2	144.7	-84.8	-64.6	0	0	0	120.5
319	E	24.8	Very low	27.2	Very low	188 Å²	188	147.9 Å²	147.9	88%	0.879	74%	0.739	S	S	*	*				-167.8	170	91.2	-98.3	-170.9	172	0	0	113
320	D	29.1	Very low	27.3	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	74%	0.742	S	S	*	*			trans	-70.5	159.4	170.8	-104.5	-42.9	0	0	0	111.3
321	P	38.3	Very low	27.4	Very low	121 Å²	121	149.4 Å²	149.4	79%	0.786	75%	0.747	S	S	*	*				-159	-168.7	75.5	43.5	-21.4	0	0	0	117.5
322	K	28.6	Very low	27.4	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	75%	0.751	S	S	*	*			trans	-74.4	148	174.7	-56.7	171.8	-178.9	174.5	0	113.4
323	D	27.2	Very low	27.4	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	76%	0.757	S	S	*	*				146.7	151.4	113.4	-159.5	13	0	0	0	114.5
324	H	27.4	Very low	27.4	Very low	118 Å²	118	140.2 Å²	140.2	55%	0.546	75%	0.749	S	S	.	*			trans	59.8	118.7	158.2	-79.3	-6.2	0	0	0	123.8
325	R	23.5	Very low	27.3	Very low	186 Å²	186	139.1 Å²	139.1	70%	0.702	75%	0.749	S	S	*	*				70.3	152.3	127.2	-68	-170.4	-110	-179.2	-2.7	119.6
326	D	27	Very low	27.2	Very low	123 Å²	123	137.2 Å²	137.2	66%	0.658	74%	0.744	S	S	*	*			cis	-162.6	151.6	-5.6	-109.9	-26.6	0	0	0	110.3
327	V	29.5	Very low	27.1	Very low	123 Å²	123	138.3 Å²	138.3	75%	0.745	74%	0.736	S	S	*	*			trans	68.9	145.9	147.5	171	0	0	0	0	117.2
328	D	28.3	Very low	27.1	Very low	109 Å²	109	136.9 Å²	136.9	58%	0.583	74%	0.739	S	S	*	*			cis	-146.9	156.6	24.7	-147.3	-2	0	0	0	115.9
329	K	30.3	Very low	27.1	Very low	163 Å²	163	137.3 Å²	137.3	71%	0.709	74%	0.739	S	S	*	*			trans	28.6	152.7	150.4	-81.8	173.4	-147.8	76.4	0	122.6
330	A	27.6	Very low	27	Very low	79 Å²	79	135 Å²	135	65%	0.653	73%	0.732	S	S	*	*			cis	-166.8	170.5	9.2	0	0	0	0	0	108.3
331	D	27.6	Very low	27	Very low	158 Å²	158	131.9 Å²	131.9	85%	0.845	72%	0.723	S	S	*	*			cis	-161.3	161.5	-12	-109.6	-39.8	0	0	0	107.4
332	G	26.3	Very low	26.5	Very low	69 Å²	69	135.1 Å²	135.1	71%	0.711	73%	0.728	S	S	*	*			trans	126.9	87.6	159.5	0	0	0	0	0	118.8
333	N	25.8	Very low	26.2	Very low	165 Å²	165	132.9 Å²	132.9	88%	0.882	73%	0.725	S	S	*	*			trans	-2.5	156.7	136.8	-74.3	10	0	0	0	120.1
334	S	23.7	Very low	26.1	Very low	89 Å²	89	134.5 Å²	134.5	62%	0.622	73%	0.729	S	S	*	*			cis	-178.1	170.4	-12.3	-172.5	0	0	0	0	108.9
335	T	24.6	Very low	25.9	Very low	117 Å²	117	133.8 Å²	133.8	72%	0.718	74%	0.737	S	S	*	*			trans	3.8	145.9	147	59.8	0	0	0	0	118.9
336	D	22.6	Very low	26.2	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	74%	0.743	S	S	*	*			cis	-163.8	-178.4	36.8	-154.7	26.4	0	0	0	115.6
337	N	23.4	Very low	26.7	Very low	126 Å²	126	133.6 Å²	133.6	67%	0.674	75%	0.751	S	S	*	*			trans	-26.4	143	161.8	-62.2	-68.1	0	0	0	117.4
338	T	25.3	Very low	26.5	Very low	143 Å²	143	136.4 Å²	136.4	88%	0.877	76%	0.756	S	S	*	*				-162.9	159.9	116.3	6.5	0	0	0	0	112.3
339	K	27.5	Very low	26.5	Very low	183 Å²	183	138 Å²	138	80%	0.796	77%	0.765	S	S	*	*			trans	-96.7	-172.6	165.1	-79.5	-172.9	173.1	-175.4	0	109.8
340	D	23	Very low	26.2	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	78%	0.775	S	S	*	*			trans	100.4	115	158.5	-46.9	-19.3	0	0	0	111.9
341	S	29.1	Very low	26.1	Very low	91 Å²	91	142.5 Å²	142.5	64%	0.636	78%	0.782	S	S	*	*			cis	86.6	140.1	33.4	82.9	0	0	0	0	114.4
342	E	27.1	Very low	26.1	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.883	78%	0.78	S	S	*	*			trans	70.6	138.2	-174.1	-59	165.5	-168.3	0	0	111.1
343	D	22.8	Very low	25.9	Very low	155 Å²	155	143 Å²	143	83%	0.829	78%	0.782	S	S	*	*			cis	-142.7	-177.7	41.4	-148.4	-21.9	0	0	0	113.7
344	E	24.9	Very low	25.9	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	78%	0.777	S	S	*	*			trans	-80.6	-166.2	175.3	-40.4	-176.2	145.4	0	0	112.6
345	S	24.8	Very low	26	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	78%	0.784	S	S	*	*			cis	-158.4	-162.8	1.2	26.6	0	0	0	0	110.1
346	E	28.9	Very low	26	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	78%	0.783	S	S	*	*			trans	-52.2	169.7	-178.2	-49.8	-179.6	144.6	0	0	117.1
347	P	38.3	Very low	26	Very low	130 Å²	130	146.6 Å²	146.6	84%	0.844	78%	0.784	S	S	*	*				-148.8	-175.9	98	39.9	-22.4	0	0	0	117.1
348	E	25.5	Very low	26	Very low	182 Å²	182	145 Å²	145	85%	0.85	78%	0.784	S	S	*	*			trans	-82.6	176.3	-163	-53.3	-177.8	118	0	0	119.2
349	D	27.2	Very low	26	Very low	143 Å²	143	145 Å²	145	77%	0.765	78%	0.776	S	S	*	*			trans	-16.8	151.1	151.3	-101.5	-39.1	0	0	0	119.2
350	T	24.8	Very low	25.8	Very low	148 Å²	148	143.5 Å²	143.5	91%	0.908	77%	0.772	S	S	*	*				-176.5	172	113.3	25.3	0	0	0	0	115.4
351	K	25.6	Very low	25.9	Very low	188 Å²	188	141.7 Å²	141.7	82%	0.817	77%	0.766	S	S	*	*			trans	-110.6	142.4	-171.5	-87	173.5	178.5	162.2	0	115.1
352	V	26.7	Very low	25.7	Very low	131 Å²	131	145.5 Å²	145.5	79%	0.794	78%	0.776	S	S	*	*			trans	67.2	118.1	140	175.4	0	0	0	0	120.3
353	S	22.9	Very low	25.7	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	76%	0.761	S	S	*	*			trans	175.3	162.3	132.9	49.3	0	0	0	0	110.3
354	K	25.9	Very low	25.7	Very low	179 Å²	179	139.2 Å²	139.2	78%	0.778	75%	0.751	S	S	*	*			cis	-169.1	145.6	-21	-106	172.4	179.2	171.8	0	107.9
355	L	24.5	Very low	25.7	Very low	148 Å²	148	138.4 Å²	138.4	78%	0.775	75%	0.747	S	S	*	*			trans	58.9	149.4	142.8	-63.5	169.7	0	0	0	120.2
356	N	24.4	Very low	25.6	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	75%	0.747	S	S	*	*			cis	-170.8	-174.3	-21.3	-157.4	5.7	0	0	0	109.9
357	T	23	Very low	25.6	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	75%	0.745	S	S	*	*			trans	76.5	142.6	164.8	66.5	0	0	0	0	118.2
358	S	23.8	Very low	24.7	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	75%	0.748	S	S	*	*			cis	-171.4	163	-13.1	-101.7	0	0	0	0	112.4
359	I	25.5	Very low	24.7	Very low	142 Å²	142	138.9 Å²	138.9	73%	0.728	75%	0.747	S	S	*	*			trans	68.2	137.2	150.8	-77	165.7	0	0	0	117.2
360	H	23.8	Very low	24.4	Very low	151 Å²	151	137.8 Å²	137.8	70%	0.699	75%	0.75	S	S	*	*			cis	-145.3	156.5	-17.3	-101.9	-31.4	0	0	0	107.3
361	T	24.1	Very low	24.2	Very low	101 Å²	101	136.8 Å²	136.8	62%	0.62	75%	0.748	S	S	*	*			cis	93	118.6	30.8	-47.1	0	0	0	0	115.1
362	M	25.9	Very low	24	Very low	170 Å²	170	133.4 Å²	133.4	84%	0.837	75%	0.748	S	S	*	*			trans	160.6	139.3	142.6	-85	-85.8	166.3	0	0	108.4
363	H	26	Very low	23.8	Very low	126 Å²	126	138.6 Å²	138.6	58%	0.583	75%	0.754	S	S	*	*			cis	-165.3	165	-22.9	-137.1	-105.6	0	0	0	105.4	Q365	H363-Q365 PolarHBondContact CE1-NE2 2.97Å
364	S	24.2	Very low	23.8	Very low	86 Å²	86	141.4 Å²	141.4	60%	0.601	76%	0.757	S	S	*	*			cis	-127.9	-162.3	14.7	-100.8	0	0	0	0	109.6
365	Q	24.3	Very low	23.7	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	76%	0.759	S	S	*	*			cis	70.7	150.8	25.4	-36.9	-175.2	-0.4	0	0	114.3	H363	H363-Q365 PolarHBondContact CE1-NE2 2.97Å
366	I	23.1	Very low	23.6	Very low	142 Å²	142	141.6 Å²	141.6	73%	0.728	76%	0.755	S	S	*	*			cis	-140.1	155.4	20.5	-69.6	172.6	0	0	0	111.2	F368	I366-F368 HydrophobicContact CG2-CD2 4.37Å
367	A	27.2	Very low	23.5	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	76%	0.756	S	S	*	*			trans	-102	148.7	168.3	0	0	0	0	0	112.6
368	F	21.4	Very low	23.4	Very low	204 Å²	204	140.1 Å²	140.1	90%	0.895	76%	0.755	S	S	*	*			trans	-147.8	159.3	173.9	-127.7	-89.4	0	0	0	114.1	I366	I366-F368 HydrophobicContact CG2-CD2 4.37Å
369	L	23.5	Very low	23.4	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	76%	0.759	S	S	*	*			trans	-113.2	137.8	-172.6	-75.8	151.6	0	0	0	112.9
370	S	22.6	Very low	23.4	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	76%	0.756	S	S	*	*			trans	-165.6	132.2	148.3	-82.9	0	0	0	0	108.4
371	C	20	Very low	23.4	Very low	128 Å²	128	136.9 Å²	136.9	87%	0.865	76%	0.757	S	S	*	*			cis	91.7	142.4	47.7	-160.9	0	0	0	0	112.4
372	S	22.1	Very low	23.3	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	76%	0.762	S	S	*	*			trans	-103.3	155.3	-144	-44.5	0	0	0	0	116.3
373	R	22.2	Very low	23.3	Very low	241 Å²	241	138.3 Å²	138.3	91%	0.909	76%	0.763	S	S	*	*			trans	-152.9	116.6	144.9	-137.3	174.1	-174.9	173.8	1.3	113.7
374	M	23.3	Very low	23.7	Very low	165 Å²	165	137.9 Å²	137.9	81%	0.813	77%	0.771	S	S	*	*			trans	34.6	134.4	140.9	-66	-67.7	163.6	0	0	120.1
375	R	23.1	Very low	24.1	Very low	219 Å²	219	138.9 Å²	138.9	83%	0.826	78%	0.778	S	S	*	*			cis	-146.8	151.4	31.7	-73.3	-175.5	158.6	163.8	-5.7	114.9
376	T	21.3	Very low	24.8	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	78%	0.782	S	S	*	*			trans	44.3	106.7	144.8	56.5	0	0	0	0	119.7
377	S	22.6	Very low	24.9	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	79%	0.786	S	S	*	*				83.1	143.6	63.7	73.5	0	0	0	0	113.8
378	T	21.5	Very low	24.9	Very low	117 Å²	117	136.2 Å²	136.2	72%	0.718	78%	0.781	S	S	*	*			cis	-154.4	149.9	32	49.2	0	0	0	0	114.6
379	S	24.4	Very low	25.1	Very low	104 Å²	104	131.5 Å²	131.5	73%	0.727	77%	0.773	S	S	*	*			trans	42	149.4	138	66.3	0	0	0	0	124.2
380	S	24.6	Very low	25.2	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	77%	0.769	S	S	*	*			cis	-179.1	176	-14	55.8	0	0	0	0	112.8
381	T	23.6	Very low	25.3	Very low	117 Å²	117	127.5 Å²	127.5	72%	0.718	76%	0.764	S	S	*	*			trans	67.7	104	144.5	41.6	0	0	0	0	123.2
382	S	22.8	Very low	25.7	Very low	102 Å²	102	130 Å²	130	71%	0.713	76%	0.763	S	S	*	*				53.6	123.2	121.6	63.6	0	0	0	0	124.1
383	K	25	Very low	25.8	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.865	76%	0.762	S	S	*	*				13.6	155.3	116.9	-69.5	-173.7	179.6	-175.9	0	119.7
384	P	35.6	Very low	26.3	Very low	117 Å²	117	127 Å²	127	76%	0.76	76%	0.759	S	S	*	*			cis	-134.5	-169.5	-20	38.6	-19.3	0	0	0	113.5
385	S	33.1	Very low	26.7	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	76%	0.756	S	S	*	*			trans	-70.6	166.3	169.2	51.3	0	0	0	0	113.5
386	P	38.1	Very low	26.7	Very low	123 Å²	123	122.7 Å²	122.7	80%	0.799	75%	0.754	S	S	*	*				-141.2	-173.3	107.7	40.5	-28.1	0	0	0	115.4
387	S	24.9	Very low	27	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	76%	0.76	S	S	*	*			trans	-74.5	-176.2	-176.3	58.4	0	0	0	0	113.7
388	S	27.3	Very low	27.1	Very low	95 Å²	95	127.2 Å²	127.2	66%	0.664	77%	0.767	S	S	*	*			cis	-166.1	173.8	22.4	70.7	0	0	0	0	114.5
389	S	25.6	Very low	27.3	Very low	106 Å²	106	126.7 Å²	126.7	74%	0.741	77%	0.768	S	S	*	*			trans	77.7	119.6	140.8	-56.2	0	0	0	0	123.2
390	A	24.8	Very low	27.4	Very low	90 Å²	90	129.4 Å²	129.4	74%	0.744	77%	0.774	S	S	*	*				87.5	109.7	123.7	0	0	0	0	0	122.9
391	S	24.6	Very low	28.2	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	79%	0.785	S	S	*	*				88.9	110.8	123.7	-62.8	0	0	0	0	122.9
392	Q	28.3	Very low	28.7	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	78%	0.777	S	S	*	*			trans	61.9	122.3	134.6	-58.1	-176.5	-6.6	0	0	120.8
393	V	25.1	Very low	29.3	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	78%	0.779	S	S	*	*				171.3	141.5	106.7	155.8	0	0	0	0	109.5
394	L	32.2	Very low	29.9	Very low	163 Å²	163	125.4 Å²	125.4	85%	0.853	77%	0.772	S	S	*	*			trans	-104.8	146.4	169.1	-81.9	166.7	0	0	0	110.3
395	P	31.8	Very low	30	Very low	114 Å²	114	129.2 Å²	129.2	74%	0.74	78%	0.776	S	S	*	*				-148.6	134.9	113	35.1	-18	0	0	0	117.3
396	K	24.8	Very low	30.3	Very low	179 Å²	179	132.1 Å²	132.1	78%	0.778	78%	0.775	S	S	*	*			trans	37.7	126.3	134.3	-77.3	-168.3	171.8	-172.3	0	123.1
397	F	26.6	Very low	30.2	Very low	188 Å²	188	132.7 Å²	132.7	83%	0.825	77%	0.767	S	S	*	*			trans	59.7	116.9	139	-78.6	-81.4	0	0	0	121.4
398	S	24.3	Very low	31	Very low	123 Å²	123	130.5 Å²	130.5	86%	0.86	76%	0.756	S	S	*	*				-158.2	158.9	112.5	62.4	0	0	0	0	111.4
399	S	27.1	Very low	31.6	Very low	106 Å²	106	129 Å²	129	74%	0.741	75%	0.75	S	S	*	*			trans	-100.6	144	-179.5	54	0	0	0	0	112
400	D	25.6	Very low	32.1	Very low	160 Å²	160	130.9 Å²	130.9	86%	0.856	75%	0.747	S	S	*	*			trans	-148.7	89.6	160.8	-147.8	-16.8	0	0	0	113.5	G402	D400-G402 PolarHBondContact O-N 3.42Å; D400-G402 VanDerWaalsContact O-N 3.17Å
401	T	41.1	Very low	32.8	Very low	149 Å²	149	136.4 Å²	136.4	91%	0.914	75%	0.748	S	S	*	*			trans	-88.5	67.1	-176.3	50.1	0	0	0	0	112.4
402	G	35	Very low	33.5	Very low	53 Å²	53	140.3 Å²	140.3	55%	0.546	75%	0.752	S	S	.	*			trans	-115.1	-34.6	-177.9	0	0	0	0	0	117	D400	D400-G402 PolarHBondContact O-N 3.42Å; D400-G402 VanDerWaalsContact O-N 3.17Å
403	L	35.4	Very low	33.8	Very low	144 Å²	144	140.2 Å²	140.2	75%	0.754	75%	0.749	S	S	*	*	S	Bend	trans	-101.1	-29	-158	-71.2	162.9	0	0	0	115.8	K405 K406	L403-K405 PolarHBondContact O-N 3.48Å; L403-K406 PolarHBondContact O-N 3.23Å
404	A	36.5	Very low	34.2	Very low	86 Å²	86	142.8 Å²	142.8	71%	0.711	75%	0.749	S	S	*	*	H	α-helix	trans	-64.5	-32.9	-172.7	0	0	0	0	0	114.5	K406	A404-K406 PolarHBondContact O-N 2.82Å
405	K	38.7	Very low	34.3	Very low	197 Å²	197	139.4 Å²	139.4	86%	0.857	75%	0.745	S	S	*	*	H	α-helix	trans	-76	-15.9	-176.2	-83.2	-174.4	173.7	179.3	0	115	L403	L403-K405 PolarHBondContact O-N 3.48Å
406	K	37.7	Very low	34.2	Very low	168 Å²	168	145.1 Å²	145.1	73%	0.73	75%	0.752	S	S	*	*	H	α-helix	trans	-81.7	-43.4	175.9	-85.2	-175	172.5	179.9	0	112.9	L403 A404 A408 A409	L403-K406 PolarHBondContact O-N 3.23Å; A404-K406 PolarHBondContact O-N 2.82Å; K406-A408 VanDerWaalsContact C-N 3.27Å; K406-A408 PolarHBondContact O-N 2.99Å; K406-A409 PolarHBondContact O-N 3.02Å; K406-A409 VanDerWaalsContact O-N 3.11Å
407	Q	37.5	Very low	34.5	Very low	135 Å²	135	141 Å²	141	63%	0.631	75%	0.751	S	S	*	*	H	α-helix	trans	-67.6	-24.7	-174.7	-66.4	-176.7	-9.2	0	0	113.9
408	A	40.4	Very low	34.6	Very low	68 Å²	68	136 Å²	136	56%	0.562	74%	0.744	S	S	*	*	H	α-helix	trans	-70.5	-30.9	173.7	0	0	0	0	0	113.3	K406	K406-A408 VanDerWaalsContact C-N 3.27Å; K406-A408 PolarHBondContact O-N 2.99Å
409	A	40.8	Very low	34.7	Very low	64 Å²	64	139.8 Å²	139.8	53%	0.529	75%	0.748	S	S	.	*	H	α-helix	trans	-75.5	-38.8	-175.8	0	0	0	0	0	112.7	K406	K406-A409 PolarHBondContact O-N 3.02Å; K406-A409 VanDerWaalsContact O-N 3.11Å
410	E	36.7	Very low	34.7	Very low	145 Å²	145	143 Å²	143	68%	0.678	75%	0.752	S	S	*	*	H	α-helix	trans	-70.2	-37.6	-178.4	-66.5	-176.6	117.8	0	0	112.5	K412 K413 K414	E410-K412 VanDerWaalsContact C-N 3.33Å; E410-K412 PolarHBondContact O-N 3.18Å; E410-K413 PolarHBondContact O-N 3.45Å; E410-K413 VanDerWaalsContact O-N 3.12Å; E410-K414 PolarHBondContact O-N 3.13Å
411	R	39.6	Very low	34.7	Very low	206 Å²	206	143.4 Å²	143.4	78%	0.777	75%	0.748	S	S	*	*	H	α-helix	trans	-61.7	-39.6	177.3	-71.2	-174.9	175.9	-170.8	-1.5	112.2	K413 K414	R411-K413 PolarHBondContact O-N 2.74Å; R411-K414 PolarHBondContact O-N 2.87Å
412	K	38.8	Very low	34.1	Very low	187 Å²	187	142 Å²	142	81%	0.813	74%	0.739	S	S	*	*	H	α-helix	trans	-69.8	-11.8	177.6	-121.2	-178.1	-177.5	-177	0	114.4	E410	E410-K412 VanDerWaalsContact C-N 3.33Å; E410-K412 PolarHBondContact O-N 3.18Å
413	K	35.2	Very low	33.6	Very low	178 Å²	178	145 Å²	145	77%	0.774	75%	0.752	S	S	*	*	H	α-helix	trans	-99.5	-10.5	177.7	-147.3	176.5	-174.7	-177.7	0	113.8	E410 R411	E410-K413 PolarHBondContact O-N 3.45Å; E410-K413 VanDerWaalsContact O-N 3.12Å; R411-K413 PolarHBondContact O-N 2.74Å
414	K	33	Very low	33.1	Very low	185 Å²	185	142.2 Å²	142.2	80%	0.804	75%	0.745	S	S	*	*	H	α-helix	trans	-99.1	-12.8	-176.7	-133.2	178.2	-176.3	-175.7	0	114.8	E410 R411	E410-K414 PolarHBondContact O-N 3.13Å; R411-K414 PolarHBondContact O-N 2.87Å
415	A	32.9	Very low	32.7	Very low	92 Å²	92	144.3 Å²	144.3	76%	0.76	74%	0.744	S	S	*	*	S	Bend	trans	-98.3	33.3	177.4	0	0	0	0	0	113
416	R	31.2	Very low	32.4	Very low	234 Å²	234	141.6 Å²	141.6	88%	0.883	74%	0.739	S	S	*	*	S	Bend	trans	-146.2	21.5	-173.9	-117.1	-173.8	-175.5	-159.7	-0.6	113.5
417	A	29.8	Very low	32.1	Very low	92 Å²	92	140.2 Å²	140.2	76%	0.76	74%	0.74	S	S	*	*	S	Bend	trans	-150.8	27.2	-170.6	0	0	0	0	0	112.9
418	A	29.6	Very low	31.8	Very low	83 Å²	83	140.7 Å²	140.7	69%	0.686	75%	0.746	S	S	*	*	S	Bend	trans	-154.6	85.7	179.2	0	0	0	0	0	109.3
419	E	26.4	Very low	31.4	Very low	203 Å²	203	145.2 Å²	145.2	95%	0.949	76%	0.761	S	S	*	*			trans	169.7	79.1	150.3	-96.2	160.5	-151	0	0	108.8
420	E	26.2	Very low	31	Very low	174 Å²	174	151 Å²	151	81%	0.813	78%	0.777	S	S	*	*			trans	-157.3	140.1	168.3	-143.3	176.7	-136.8	0	0	107.9
421	Q	26.6	Very low	30.8	Very low	168 Å²	168	153.5 Å²	153.5	79%	0.785	79%	0.789	S	S	*	*			trans	72.8	140.7	-176.9	-46.7	-74	-54.9	0	0	117.3
422	V	28.5	Very low	30.2	Very low	119 Å²	119	151.1 Å²	151.1	72%	0.721	79%	0.792	S	S	*	*			cis	-178.7	148.7	-42.2	133.3	0	0	0	0	109.7
423	S	23.8	Very low	29.7	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	79%	0.787	S	S	*	*			trans	69.3	153.8	167.6	-95	0	0	0	0	118.7
424	S	26	Very low	29.3	Very low	86 Å²	86	145.8 Å²	145.8	60%	0.601	79%	0.789	S	S	*	*			cis	-157.2	172	0.2	56.3	0	0	0	0	114.2
425	D	28.2	Very low	29.2	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	79%	0.786	S	S	*	*			trans	76.1	104.9	152	-44.2	-38.2	0	0	0	122.7
426	D	31.8	Very low	28.9	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	78%	0.78	S	S	*	*				78	136.5	122.9	-57.9	-7.5	0	0	0	126.9
427	D	31.3	Very low	28.8	Very low	139 Å²	139	139 Å²	139	74%	0.743	77%	0.773	S	S	*	*			trans	78.3	115.6	151.1	-59.6	-9.1	0	0	0	125.4
428	D	30.8	Very low	28.7	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	78%	0.783	S	S	*	*			trans	47.9	115.3	140.6	-57.7	-13.4	0	0	0	123.4
429	D	31.3	Very low	28.8	Very low	163 Å²	163	150.2 Å²	150.2	87%	0.872	79%	0.792	S	S	*	*				-175.5	167.4	83.5	-119.7	-31.9	0	0	0	112.4
430	E	34.2	Very low	29.3	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	79%	0.792	S	S	*	*			trans	-83.9	143.7	-168.8	-58.7	-179.3	143.7	0	0	117.3
431	E	30.9	Very low	29.7	Very low	198 Å²	198	145.9 Å²	145.9	93%	0.925	79%	0.79	S	S	*	*			trans	-153.6	146.1	132.9	-89.8	-153.4	160.8	0	0	110.8
432	D	27.2	Very low	30.1	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	80%	0.797	S	S	*	*			trans	-72.4	129	-165.5	-86.1	-58.6	0	0	0	116.5
433	V	29.3	Very low	30.7	Very low	119 Å²	119	147.7 Å²	147.7	72%	0.721	80%	0.801	S	S	*	*			trans	-131.2	100	158.6	-179.9	0	0	0	0	110.1	T435	V433-T435 HydrophobicContact CG1-CG2 4.12Å; V433-T435 PolarHBondContact O-N 3.05Å
434	V	27	Very low	31.7	Very low	133 Å²	133	150.7 Å²	150.7	81%	0.806	80%	0.802	S	S	*	*			trans	-81.6	87.6	179.8	-171.5	0	0	0	0	110.8
435	T	29.9	Very low	32.3	Very low	122 Å²	122	154.7 Å²	154.7	75%	0.748	82%	0.816	S	S	*	*			trans	-125.3	94.4	169.1	51.3	0	0	0	0	111.1	V433	V433-T435 HydrophobicContact CG1-CG2 4.12Å; V433-T435 PolarHBondContact O-N 3.05Å
436	S	27.8	Very low	32.6	Very low	90 Å²	90	155.6 Å²	155.6	63%	0.629	82%	0.816	S	S	*	*			trans	-163.7	146.5	178.5	131.9	0	0	0	0	106.9
437	E	28.8	Very low	32.8	Very low	158 Å²	158	152.4 Å²	152.4	74%	0.738	81%	0.805	S	S	*	*			cis	-152.9	137.1	-10	-94.8	144.2	-121.8	0	0	105.7
438	F	27	Very low	33	Very low	221 Å²	221	152.1 Å²	152.1	97%	0.969	80%	0.802	S	S	*	*			trans	-164	73.6	161	-86.2	-59.5	0	0	0	110
439	E	31.6	Very low	33.2	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.883	80%	0.795	S	S	*	*			trans	-92.2	153.5	158.2	-65.3	-166.2	131.2	0	0	109.5	S441	E439-S441 PolarHBondContact O-N 3.12Å
440	D	36.4	Very low	33.9	Very low	174 Å²	174	146.6 Å²	146.6	93%	0.93	78%	0.775	S	S	*	*			trans	-65.7	115.5	179.3	-82.9	-53.8	0	0	0	111.3
441	S	34.8	Very low	34.6	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	76%	0.762	S	S	*	*			trans	-147.7	48.5	175.4	-177.8	0	0	0	0	112	E439	E439-S441 PolarHBondContact O-N 3.12Å
442	D	35.4	Very low	35.5	Very low	172 Å²	172	141.4 Å²	141.4	92%	0.92	75%	0.747	S	S	*	*			trans	-116.6	46.6	179.6	-117.2	-8.7	0	0	0	111.7
443	D	42.1	Very low	37.2	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	73%	0.732	S	S	*	*			trans	-127.4	141.5	167.1	-122.4	-32.9	0	0	0	110.3
444	E	43.5	Very low	38.9	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	71%	0.712	S	S	*	*	S	Bend	trans	58.2	76.4	-175.3	-55.9	-157.8	148.6	0	0	118.2
445	L	38.5	Very low	40.9	Very low	170 Å²	170	133.1 Å²	133.1	89%	0.89	69%	0.691	S	S	*	*	S	Bend		-171.7	-11.5	124.7	-102.4	163.9	0	0	0	118.6	S447	L445-S447 PolarHBondContact O-N 3.3Å
446	E	35	Very low	42.8	Very low	148 Å²	148	131.1 Å²	131.1	69%	0.692	68%	0.676	S	S	*	*			trans	-93.1	80.8	-176.8	-82.3	-102.3	150.8	0	0	114.2	V450	E446-V450 HydrophobicContact CB-CG2 4.42Å; E446-V450 WeakPolarHBondContact OE2-CG2 3.18Å
447	S	35.6	Very low	44.8	Very low	75 Å²	75	130 Å²	130	52%	0.524	66%	0.661	S	S	.	*			trans	-105	-4.7	-172.1	70.2	0	0	0	0	117.5	L445 K451	L445-S447 PolarHBondContact O-N 3.3Å; S447-K451 WeakPolarHBondContact O-CD 3.41Å; S447-K451 VanDerWaalsContact O-CE 3.31Å; S447-K451 WeakPolarHBondContact O-CE 3.35Å; S447-K451 PolarHBondContact O-NZ 3.23Å
448	I	35.4	Very low	46.9	Very low	132 Å²	132	122.5 Å²	122.5	68%	0.677	63%	0.626	S	S	*	*	S	Bend	trans	-123.7	-53.1	-171	-58.6	-176.8	0	0	0	114.2	K451	I448-K451 PolarHBondContact O-N 3.02Å
449	N	35.8	Very low	49.3	Very low	119 Å²	119	113.7 Å²	113.7	64%	0.636	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-46.5	-173.2	-86	-5.8	0	0	0	113.6	K451 K452	N449-K451 PolarHBondContact O-N 3.05Å; N449-K452 WeakPolarHBondContact O-CB 3.4Å; N449-K452 PolarHBondContact O-N 3.33Å
450	V	45.7	Very low	51.3	Low	73 Å²	73	106.8 Å²	106.8	44%	0.442	56%	0.564	S	S	.	*	H	α-helix	trans	-53.2	-25.5	179.3	-173.8	0	0	0	0	113.1	E446 K452 V454	E446-V450 HydrophobicContact CB-CG2 4.42Å; E446-V450 WeakPolarHBondContact OE2-CG2 3.18Å; V450-K452 PolarHBondContact O-N 2.83Å; V450-V454 HydrophobicContact CG1-CG2 4.31Å; V450-V454 VanDerWaalsContact O-CG2 3.31Å; V450-V454 WeakPolarHBondContact O-CG2 3.29Å; V450-V454 PolarHBondContact O-N 3.35Å
451	K	48.2	Very low	53.1	Low	138 Å²	138	99.2 Å²	99.2	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-75.5	-4.2	176.7	-69.1	172.7	-178.3	153.8	0	114.3	S447 I448 N449 K455	S447-K451 WeakPolarHBondContact O-CD 3.41Å; S447-K451 VanDerWaalsContact O-CE 3.31Å; S447-K451 WeakPolarHBondContact O-CE 3.35Å; S447-K451 PolarHBondContact O-NZ 3.23Å; I448-K451 PolarHBondContact O-N 3.02Å; N449-K451 PolarHBondContact O-N 3.05Å; K451-K455 VanDerWaalsContact O-CD 3.29Å; K451-K455 WeakPolarHBondContact O-CD 3.41Å; K451-K455 WeakPolarHBondContact O-CE 3.35Å; K451-K455 VanDerWaalsContact O-CG 3.31Å; K451-K455 WeakPolarHBondContact O-CG 3.35Å
452	K	51.3	Low	55	Low	136 Å²	136	93.9 Å²	93.9	59%	0.591	49%	0.485	S	S	*	.	H	α-helix	trans	-97.9	-55.5	175.8	-163.5	-177.7	177.2	-167.5	0	111.1	N449 V450 V454 K455 D456	N449-K452 WeakPolarHBondContact O-CB 3.4Å; N449-K452 PolarHBondContact O-N 3.33Å; V450-K452 PolarHBondContact O-N 2.83Å; K452-V454 VanDerWaalsContact C-N 3.27Å; K452-V454 PolarHBondContact O-N 2.86Å; K452-K455 WeakPolarHBondContact O-CA 3.3Å; K452-K455 VanDerWaalsContact O-CB 3.31Å; K452-K455 WeakPolarHBondContact O-CB 3.47Å; K452-K455 PolarHBondContact O-N 3.42Å; K452-D456 PolarHBondContact O-N 3.39Å; K452-D456 VanDerWaalsContact O-N 3.11Å
453	D	61.8	Low	57	Low	100 Å²	100	88.3 Å²	88.3	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-58.3	-40.6	-178.4	-50.6	-37.8	0	0	0	111.7	K455 D456 E457	D453-K455 PolarHBondContact O-N 2.89Å; D453-D456 PolarHBondContact O-N 2.79Å; D453-E457 WeakPolarHBondContact O-CB 3.3Å; D453-E457 WeakPolarHBondContact O-CG 3.47Å; D453-E457 PolarHBondContact O-N 2.69Å
454	V	65.3	Low	58.4	Low	49 Å²	49	87 Å²	87	30%	0.297	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-26.4	175.1	173.3	0	0	0	0	112.9	V450 K452 I458 K515	V450-V454 HydrophobicContact CG1-CG2 4.31Å; V450-V454 VanDerWaalsContact O-CG2 3.31Å; V450-V454 WeakPolarHBondContact O-CG2 3.29Å; V450-V454 PolarHBondContact O-N 3.35Å; K452-V454 VanDerWaalsContact C-N 3.27Å; K452-V454 PolarHBondContact O-N 2.86Å; V454-I458 HydrophobicContact CG1-CD1 3.95Å; V454-I458 WeakPolarHBondContact O-CB 3.38Å; V454-I458 WeakPolarHBondContact O-CD1 3.43Å; V454-I458 WeakPolarHBondContact O-CG1 3.43Å; V454-I458 PolarHBondContact O-N 3.05Å; V454-K515 HydrophobicContact CG1-CG 4.47Å
455	K	68.5	Low	59.6	Low	85 Å²	85	78.7 Å²	78.7	37%	0.37	41%	0.409	S	S	.	.	H	α-helix	trans	-76.6	-43.3	174	-71	177.4	-179.4	-177.2	0	111.4	K451 K452 D453 I458 L459 W493	K451-K455 VanDerWaalsContact O-CD 3.29Å; K451-K455 WeakPolarHBondContact O-CD 3.41Å; K451-K455 WeakPolarHBondContact O-CE 3.35Å; K451-K455 VanDerWaalsContact O-CG 3.31Å; K451-K455 WeakPolarHBondContact O-CG 3.35Å; K452-K455 WeakPolarHBondContact O-CA 3.3Å; K452-K455 VanDerWaalsContact O-CB 3.31Å; K452-K455 WeakPolarHBondContact O-CB 3.47Å; K452-K455 PolarHBondContact O-N 3.42Å; D453-K455 PolarHBondContact O-N 2.89Å; K455-I458 PolarHBondContact O-N 3.43Å; K455-L459 WeakPolarHBondContact O-CB 3.31Å; K455-L459 PolarHBondContact O-N 3.37Å; K455-W493 HydrophobicContact CB-CD2 3.83Å; K455-W493 HydrophobicContact CB-CE3 3.47Å; K455-W493 VanDerWaalsContact CB-CE3 3.47Å; K455-W493 HydrophobicContact CB-CG 4.41Å; K455-W493 HydrophobicContact CB-CH2 4.45Å; K455-W493 HydrophobicContact CB-CZ3 3.81Å; K455-W493 HydrophobicContact CD-CD2 3.83Å; K455-W493 HydrophobicContact CD-CE3 4.31Å; K455-W493 HydrophobicContact CD-CG 4.04Å; K455-W493 HydrophobicContact CD-CZ2 4.41Å; K455-W493 HydrophobicContact CG-CD2 3.75Å; K455-W493 HydrophobicContact CG-CE3 3.73Å; K455-W493 HydrophobicContact CG-CG 4.43Å; K455-W493 HydrophobicContact CG-CH2 3.97Å; K455-W493 HydrophobicContact CG-CZ2 4.02Å; K455-W493 HydrophobicContact CG-CZ3 3.84Å
456	D	70.2	Confident	61.1	Low	80 Å²	80	72.1 Å²	72.1	43%	0.428	38%	0.377	S	S	.	.	H	α-helix	trans	-70.5	-35.1	-177.1	-61.1	-21.5	0	0	0	110.2	K452 D453 L459 A460	K452-D456 PolarHBondContact O-N 3.39Å; K452-D456 VanDerWaalsContact O-N 3.11Å; D453-D456 PolarHBondContact O-N 2.79Å; D456-L459 PolarHBondContact O-N 2.89Å; D456-A460 WeakPolarHBondContact O-CB 3.3Å; D456-A460 PolarHBondContact O-N 3.14Å
457	E	69.9	Low	62.7	Low	68 Å²	68	68 Å²	68	32%	0.318	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-44	168.2	-76.2	-178.5	170.7	0	0	113.5	D453 F461 L518 K522	D453-E457 WeakPolarHBondContact O-CB 3.3Å; D453-E457 WeakPolarHBondContact O-CG 3.47Å; D453-E457 PolarHBondContact O-N 2.69Å; E457-F461 WeakPolarHBondContact O-CB 3.49Å; E457-F461 PolarHBondContact O-N 2.8Å; E457-L518 HydrophobicContact CB-CD1 4.43Å; E457-K522 VanDerWaalsContact OE1-CE 3.22Å; E457-K522 WeakPolarHBondContact OE1-CE 3.22Å; E457-K522 IonicContact OE1-NZ 2.72Å; E457-K522 PolarHBondContact OE1-NZ 2.82Å; E457-K522 WeakPolarHBondContact OE2-CE 3.2Å; E457-K522 IonicContact OE2-NZ 3.48Å; E457-K522 PolarHBondContact OE2-NZ 3.12Å
458	I	73.8	Confident	64.1	Low	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.2	-37.7	177.8	-71.4	165	0	0	0	110.9	V454 K455 F461 F462 W493 L496 M511 K515 L518	V454-I458 HydrophobicContact CG1-CD1 3.95Å; V454-I458 WeakPolarHBondContact O-CB 3.38Å; V454-I458 WeakPolarHBondContact O-CD1 3.43Å; V454-I458 WeakPolarHBondContact O-CG1 3.43Å; V454-I458 PolarHBondContact O-N 3.05Å; K455-I458 PolarHBondContact O-N 3.43Å; I458-F461 PolarHBondContact O-N 2.92Å; I458-F462 HydrophobicContact CG2-CD2 3.6Å; I458-F462 HydrophobicContact CG2-CE2 3.7Å; I458-F462 WeakPolarHBondContact O-CD2 3.43Å; I458-F462 PolarHBondContact O-N 3.1Å; I458-W493 HydrophobicContact CB-CZ3 3.97Å; I458-W493 HydrophobicContact CD1-CH2 4.36Å; I458-W493 HydrophobicContact CD1-CZ3 4.31Å; I458-W493 HydrophobicContact CG2-CH2 4.42Å; I458-W493 HydrophobicContact CG2-CZ3 3.8Å; I458-L496 HydrophobicContact CG2-CD2 4.37Å; I458-M511 HydrophobicContact CG2-CE 3.8Å; I458-M511 HydrophobicContact CG2-SD 4.42Å; I458-K515 HydrophobicContact CD1-CD 4.16Å; I458-K515 VanDerWaalsContact CD1-CE 3.49Å; I458-K515 HydrophobicContact CD1-CG 3.52Å; I458-K515 HydrophobicContact CG1-CG 4.42Å; I458-L518 HydrophobicContact CB-CD1 4.41Å; I458-L518 HydrophobicContact CG1-CD1 3.58Å
459	L	76.1	Confident	65.6	Low	36 Å²	36	62.6 Å²	62.6	19%	0.188	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-47.4	175.6	-178.1	143.3	0	0	0	111	K455 D456 F461 F462 Q463 W493	K455-L459 WeakPolarHBondContact O-CB 3.31Å; K455-L459 PolarHBondContact O-N 3.37Å; D456-L459 PolarHBondContact O-N 2.89Å; L459-F461 VanDerWaalsContact C-N 3.31Å; L459-F461 PolarHBondContact O-N 3.44Å; L459-F462 PolarHBondContact O-N 3.28Å; L459-Q463 WeakPolarHBondContact O-CB 3.48Å; L459-Q463 PolarHBondContact O-N 3.01Å; L459-W493 VanDerWaalsContact CD1-N 3.28Å
460	A	74.2	Confident	67.2	Low	44 Å²	44	56.9 Å²	56.9	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-58.3	-43	173.6	0	0	0	0	0	111.6	D456 Q463 D464	D456-A460 WeakPolarHBondContact O-CB 3.3Å; D456-A460 PolarHBondContact O-N 3.14Å; A460-Q463 PolarHBondContact O-N 3.37Å; A460-D464 PolarHBondContact O-N 3.39Å
461	F	74.9	Confident	68.3	Low	14 Å²	14	55.3 Å²	55.3	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-51.4	175.4	-174	-89.8	0	0	0	112.2	E457 I458 L459 Q463 D464 A465 E469 L470 I473 C514 V517 L518	E457-F461 WeakPolarHBondContact O-CB 3.49Å; E457-F461 PolarHBondContact O-N 2.8Å; I458-F461 PolarHBondContact O-N 2.92Å; L459-F461 VanDerWaalsContact C-N 3.31Å; L459-F461 PolarHBondContact O-N 3.44Å; F461-Q463 PolarHBondContact O-N 3.45Å; F461-D464 PolarHBondContact O-N 3.39Å; F461-A465 HydrophobicContact CD1-CB 4.24Å; F461-A465 HydrophobicContact CD2-CB 4.42Å; F461-A465 HydrophobicContact CE1-CB 4Å; F461-A465 HydrophobicContact CE2-CB 4.2Å; F461-A465 HydrophobicContact CG-CB 4.45Å; F461-A465 HydrophobicContact CZ-CB 4Å; F461-A465 WeakPolarHBondContact O-CB 3.37Å; F461-A465 PolarHBondContact O-N 2.9Å; F461-E469 HydrophobicContact CE2-CB 4.46Å; F461-E469 HydrophobicContact CZ-CB 4.11Å; F461-L470 HydrophobicContact CE1-CD2 4.18Å; F461-I473 HydrophobicContact CE1-CD1 3.97Å; F461-I473 HydrophobicContact CE1-CG1 4.49Å; F461-C514 VanDerWaalsContact CD1-SG 3.56Å; F461-V517 HydrophobicContact CE2-CG1 4.49Å; F461-V517 HydrophobicContact CZ-CG1 4.33Å; F461-L518 HydrophobicContact CB-CD1 4.44Å; F461-L518 HydrophobicContact CB-CD2 4.27Å; F461-L518 HydrophobicContact CD2-CD2 3.88Å; F461-L518 HydrophobicContact CG-CD2 4.26Å
462	F	74.4	Confident	69.1	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-22.2	179.1	-79.1	-64.7	0	0	0	113.7	I458 L459 L470 I473 I484 R488 F490 L496 F500 L510 M511 C514	I458-F462 HydrophobicContact CG2-CD2 3.6Å; I458-F462 HydrophobicContact CG2-CE2 3.7Å; I458-F462 WeakPolarHBondContact O-CD2 3.43Å; I458-F462 PolarHBondContact O-N 3.1Å; L459-F462 PolarHBondContact O-N 3.28Å; F462-L470 HydrophobicContact CD1-CD2 3.52Å; F462-L470 HydrophobicContact CE1-CD2 3.75Å; F462-I473 HydrophobicContact CE1-CD1 3.67Å; F462-I473 HydrophobicContact CZ-CD1 3.67Å; F462-I484 HydrophobicContact CD1-CG2 4.05Å; F462-I484 HydrophobicContact CE1-CD1 4.25Å; F462-R488 PolarHBondContact O-NE 3.17Å; F462-R488 PolarHBondContact O-NH2 2.98Å; F462-F490 HydrophobicContact CB-CD2 4.35Å; F462-F490 HydrophobicContact CB-CE2 4.32Å; F462-F490 WeakPolarHBondContact O-CE2 3.48Å; F462-L496 HydrophobicContact CB-CD1 3.89Å; F462-L496 HydrophobicContact CB-CD2 4.4Å; F462-L496 HydrophobicContact CD2-CD1 4.34Å; F462-L496 HydrophobicContact CD2-CD2 3.97Å; F462-L496 HydrophobicContact CG-CD1 4.21Å; F462-F500 HydrophobicContact CD1-CZ 4.21Å; F462-F500 HydrophobicContact CD2-CZ 4.46Å; F462-F500 AromaticContact CE1-CZ 3.89Å; F462-F500 HydrophobicContact CE1-CZ 3.89Å; F462-F500 HydrophobicContact CE2-CZ 4.14Å; F462-F500 HydrophobicContact CG-CZ 4.49Å; F462-F500 HydrophobicContact CZ-CE1 4.16Å; F462-F500 AromaticContact CZ-CZ 3.84Å; F462-F500 HydrophobicContact CZ-CZ 3.84Å; F462-L510 HydrophobicContact CE1-CD2 4.09Å; F462-L510 HydrophobicContact CE1-CG 4.5Å; F462-L510 HydrophobicContact CZ-CD2 4.27Å; F462-L510 HydrophobicContact CZ-CG 4.31Å; F462-M511 HydrophobicContact CD2-SD 4.22Å; F462-M511 HydrophobicContact CE2-SD 3.55Å; F462-M511 VanDerWaalsContact CE2-SD 3.55Å; F462-M511 HydrophobicContact CZ-SD 4.21Å; F462-C514 HydrophobicContact CE2-CB 3.7Å; F462-C514 VanDerWaalsContact CE2-SG 3.58Å; F462-C514 HydrophobicContact CZ-CB 3.75Å
463	Q	76.9	Confident	70.2	Confident	56 Å²	56	44.7 Å²	44.7	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-77.2	-42.3	174.7	179.4	62.1	18.6	0	0	113.2	L459 A460 F461 R488 P489	L459-Q463 WeakPolarHBondContact O-CB 3.48Å; L459-Q463 PolarHBondContact O-N 3.01Å; A460-Q463 PolarHBondContact O-N 3.37Å; F461-Q463 PolarHBondContact O-N 3.45Å; Q463-R488 WeakPolarHBondContact O-CD 3.4Å; Q463-R488 PolarHBondContact O-NE 3.01Å; Q463-R488 PolarHBondContact O-NH1 3.12Å; Q463-P489 VanDerWaalsContact OE1-CA 3.3Å
464	D	70.4	Confident	70.3	Confident	126 Å²	126	43.8 Å²	43.8	67%	0.674	24%	0.244	S	C	*	.	H	α-helix	trans	-106.6	-24.1	-169.6	-66.3	-27.1	0	0	0	114.6	A460 F461	A460-D464 PolarHBondContact O-N 3.39Å; F461-D464 PolarHBondContact O-N 3.39Å
465	A	70.1	Confident	70.2	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.033	26%	0.258	C	S	.	.			trans	-57.1	145.7	-172.4	0	0	0	0	0	114.1	F461 E469 L470 R488	F461-A465 HydrophobicContact CD1-CB 4.24Å; F461-A465 HydrophobicContact CD2-CB 4.42Å; F461-A465 HydrophobicContact CE1-CB 4Å; F461-A465 HydrophobicContact CE2-CB 4.2Å; F461-A465 HydrophobicContact CG-CB 4.45Å; F461-A465 HydrophobicContact CZ-CB 4Å; F461-A465 WeakPolarHBondContact O-CB 3.37Å; F461-A465 PolarHBondContact O-N 2.9Å; A465-E469 HydrophobicContact CB-CB 3.89Å; A465-L470 HydrophobicContact CB-CD2 4.18Å; A465-L470 HydrophobicContact CB-CG 4.07Å; A465-R488 VanDerWaalsContact O-CZ 3.26Å; A465-R488 PolarHBondContact O-NH1 3.47Å; A465-R488 PolarHBondContact O-NH2 3.26Å
466	S	69.9	Low	70.4	Confident	31 Å²	31	41.1 Å²	41.1	22%	0.217	25%	0.247	C	C	.	.			trans	-65.7	165.1	168.9	55.5	0	0	0	0	112.9	D468 E469 L470	S466-D468 PolarHBondContact O-N 3.1Å; S466-E469 WeakPolarHBondContact CB-OE2 3.28Å; S466-E469 PolarHBondContact N-OE2 2.82Å; S466-E469 PolarHBondContact O-N 2.91Å; S466-E469 WeakPolarHBondContact OG-CB 3.38Å; S466-E469 VanDerWaalsContact OG-CG 3.27Å; S466-E469 WeakPolarHBondContact OG-CG 3.47Å; S466-E469 PolarHBondContact OG-N 2.86Å; S466-E469 VanDerWaalsContact OG-N 3.13Å; S466-E469 PolarHBondContact OG-OE2 2.8Å; S466-L470 WeakPolarHBondContact O-CG 3.46Å; S466-L470 PolarHBondContact O-N 3.11Å
467	I	68.6	Low	70.5	Confident	61 Å²	61	40 Å²	40	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-36.8	173.8	-65.2	172.7	0	0	0	110.2	L470 S471 V478 A481 Q482 V485	I467-L470 PolarHBondContact O-N 2.83Å; I467-S471 PolarHBondContact O-N 3.22Å; I467-S471 VanDerWaalsContact O-N 3.1Å; I467-V478 HydrophobicContact CG2-CG1 4.15Å; I467-A481 HydrophobicContact CG2-CB 3.94Å; I467-Q482 HydrophobicContact CD1-CG 4.09Å; I467-Q482 HydrophobicContact CG2-CG 4.43Å; I467-V485 HydrophobicContact CG1-CG2 4.03Å
468	D	63.9	Low	70.6	Confident	73 Å²	73	40.7 Å²	40.7	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-70.9	-46.3	179.5	-50.3	-71.4	0	0	0	111.8	S466 L470 S471 L472 M760	S466-D468 PolarHBondContact O-N 3.1Å; D468-L470 VanDerWaalsContact C-N 3.3Å; D468-L470 PolarHBondContact O-N 2.81Å; D468-S471 WeakPolarHBondContact O-CA 3.44Å; D468-S471 WeakPolarHBondContact O-CB 3.23Å; D468-S471 PolarHBondContact O-N 3.24Å; D468-S471 PolarHBondContact O-OG 3.36Å; D468-L472 PolarHBondContact O-N 2.95Å; D468-M760 HydrophobicContact CB-CE 3.86Å
469	E	67.1	Low	70.5	Confident	21 Å²	21	48.8 Å²	48.8	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-37.3	172.5	-79.9	168.9	108	0	0	112.6	F461 A465 S466 S471 L472 R521 F769	F461-E469 HydrophobicContact CE2-CB 4.46Å; F461-E469 HydrophobicContact CZ-CB 4.11Å; A465-E469 HydrophobicContact CB-CB 3.89Å; S466-E469 WeakPolarHBondContact CB-OE2 3.28Å; S466-E469 PolarHBondContact N-OE2 2.82Å; S466-E469 PolarHBondContact O-N 2.91Å; S466-E469 WeakPolarHBondContact OG-CB 3.38Å; S466-E469 VanDerWaalsContact OG-CG 3.27Å; S466-E469 WeakPolarHBondContact OG-CG 3.47Å; S466-E469 PolarHBondContact OG-N 2.86Å; S466-E469 VanDerWaalsContact OG-N 3.13Å; S466-E469 PolarHBondContact OG-OE2 2.8Å; E469-S471 PolarHBondContact O-N 2.67Å; E469-L472 WeakPolarHBondContact O-CB 3.4Å; E469-L472 PolarHBondContact O-N 3.24Å; E469-R521 IonicContact OE1-NH1 3.82Å; E469-R521 PolarHBondContact OE1-NH1 3.49Å; E469-F769 HydrophobicContact CG-CD1 3.96Å; E469-F769 HydrophobicContact CG-CE1 4.02Å; E469-F769 WeakPolarHBondContact OE1-CE1 3.36Å
470	L	71.1	Confident	70.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-26.7	173.1	-70.9	171.9	0	0	0	112.1	F461 F462 A465 S466 I467 D468 C476 A481 I484 V485	F461-L470 HydrophobicContact CE1-CD2 4.18Å; F462-L470 HydrophobicContact CD1-CD2 3.52Å; F462-L470 HydrophobicContact CE1-CD2 3.75Å; A465-L470 HydrophobicContact CB-CD2 4.18Å; A465-L470 HydrophobicContact CB-CG 4.07Å; S466-L470 WeakPolarHBondContact O-CG 3.46Å; S466-L470 PolarHBondContact O-N 3.11Å; I467-L470 PolarHBondContact O-N 2.83Å; D468-L470 VanDerWaalsContact C-N 3.3Å; D468-L470 PolarHBondContact O-N 2.81Å; L470-C476 WeakPolarHBondContact O-CB 3.45Å; L470-C476 PolarHBondContact O-SG 3.05Å; L470-A481 HydrophobicContact CB-CB 3.66Å; L470-A481 HydrophobicContact CD1-CB 4.29Å; L470-I484 HydrophobicContact CD1-CB 4.08Å; L470-I484 HydrophobicContact CD1-CG2 3.83Å; L470-I484 HydrophobicContact CD2-CG2 4.15Å; L470-V485 HydrophobicContact CD1-CG2 3.87Å
471	S	68.6	Low	70.4	Confident	40 Å²	40	47.4 Å²	47.4	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-78.6	-18	176.6	83.3	0	0	0	0	114.2	I467 D468 E469 I473 M760	I467-S471 PolarHBondContact O-N 3.22Å; I467-S471 VanDerWaalsContact O-N 3.1Å; D468-S471 WeakPolarHBondContact O-CA 3.44Å; D468-S471 WeakPolarHBondContact O-CB 3.23Å; D468-S471 PolarHBondContact O-N 3.24Å; D468-S471 PolarHBondContact O-OG 3.36Å; E469-S471 PolarHBondContact O-N 2.67Å; S471-I473 PolarHBondContact O-N 2.95Å; S471-M760 VanDerWaalsContact OG-CE 3.23Å; S471-M760 WeakPolarHBondContact OG-CE 3.27Å
472	L	64.9	Low	70.4	Confident	48 Å²	48	50.9 Å²	50.9	25%	0.251	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	169.6	-68.6	170.4	0	0	0	112.4	D468 E469 S474 V517 M760	D468-L472 PolarHBondContact O-N 2.95Å; E469-L472 WeakPolarHBondContact O-CB 3.4Å; E469-L472 PolarHBondContact O-N 3.24Å; L472-S474 PolarHBondContact O-N 3.45Å; L472-V517 HydrophobicContact CB-CG1 4.32Å; L472-V517 HydrophobicContact CB-CG2 4.08Å; L472-V517 HydrophobicContact CD1-CG1 4.3Å; L472-M760 HydrophobicContact CD2-CG 4.29Å; L472-M760 HydrophobicContact CD2-SD 3.45Å; L472-M760 WeakPolarHBondContact CD2-SD 3.41Å; L472-M760 HydrophobicContact CG-SD 3.92Å
473	I	73.9	Confident	70.2	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	31%	0.309	C	S	.	.	S	Bend	trans	-72.6	122.4	-179.4	-57	173.6	0	0	0	110	F461 F462 S471 G475 C476 L510 C514 V517	F461-I473 HydrophobicContact CE1-CD1 3.97Å; F461-I473 HydrophobicContact CE1-CG1 4.49Å; F462-I473 HydrophobicContact CE1-CD1 3.67Å; F462-I473 HydrophobicContact CZ-CD1 3.67Å; S471-I473 PolarHBondContact O-N 2.95Å; I473-G475 PolarHBondContact O-N 2.95Å; I473-G475 VanDerWaalsContact O-N 3.15Å; I473-C476 HydrophobicContact CB-CB 4.19Å; I473-C476 WeakPolarHBondContact O-CB 3.33Å; I473-C476 PolarHBondContact O-N 3.03Å; I473-L510 HydrophobicContact CB-CD1 3.91Å; I473-L510 HydrophobicContact CD1-CD1 4.47Å; I473-L510 HydrophobicContact CD1-CG 4.29Å; I473-L510 HydrophobicContact CG2-CB 4.49Å; I473-L510 HydrophobicContact CG2-CD1 3.44Å; I473-L510 VanDerWaalsContact CG2-CD1 3.44Å; I473-L510 HydrophobicContact CG2-CG 3.85Å; I473-L510 WeakPolarHBondContact CG2-O 3.45Å; I473-C514 HydrophobicContact CD1-CB 3.9Å; I473-C514 HydrophobicContact CG1-CB 4.49Å; I473-V517 HydrophobicContact CG1-CG2 4.28Å
474	S	63.8	Low	70.2	Confident	81 Å²	81	53.2 Å²	53.2	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	117.7	173.8	56	0	0	0	0	112.4	L472	L472-S474 PolarHBondContact O-N 3.45Å
475	G	64.1	Low	70.5	Confident	58 Å²	58	49.8 Å²	49.8	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	1.6	-178.6	0	0	0	0	0	115.1	I473 K480	I473-G475 PolarHBondContact O-N 2.95Å; I473-G475 VanDerWaalsContact O-N 3.15Å; G475-K480 PolarHBondContact O-NZ 2.94Å
476	C	71.6	Confident	70.9	Confident	20 Å²	20	55.6 Å²	55.6	14%	0.135	31%	0.307	C	S	.	.			trans	-76.2	140	163	-150.6	0	0	0	0	110.3	L470 I473 L510	L470-C476 WeakPolarHBondContact O-CB 3.45Å; L470-C476 PolarHBondContact O-SG 3.05Å; I473-C476 HydrophobicContact CB-CB 4.19Å; I473-C476 WeakPolarHBondContact O-CB 3.33Å; I473-C476 PolarHBondContact O-N 3.03Å; C476-L510 HydrophobicContact CB-CD1 3.58Å
477	S	72.3	Confident	71.2	Confident	58 Å²	58	56.2 Å²	56.2	41%	0.406	31%	0.307	S	S	.	.			trans	-116.7	159.2	165.1	66.9	0	0	0	0	108.3	K479 K480 A481	S477-K479 PolarHBondContact O-N 3.37Å; S477-K480 WeakPolarHBondContact O-CA 3.14Å; S477-K480 WeakPolarHBondContact O-CB 3.38Å; S477-K480 PolarHBondContact O-N 3.49Å; S477-A481 PolarHBondContact O-N 3.36Å
478	V	72.8	Confident	71.7	Confident	81 Å²	81	56.2 Å²	56.2	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-51.3	-35.2	179.3	-176	0	0	0	0	111.8	I467 A481 Q482	I467-V478 HydrophobicContact CG2-CG1 4.15Å; V478-A481 PolarHBondContact O-N 3.31Å; V478-Q482 HydrophobicContact CG1-CG 4.39Å; V478-Q482 WeakPolarHBondContact O-CB 3.38Å; V478-Q482 VanDerWaalsContact O-CG 3.26Å; V478-Q482 WeakPolarHBondContact O-CG 3.38Å; V478-Q482 PolarHBondContact O-N 2.92Å
479	K	72.1	Confident	72.1	Confident	171 Å²	171	56.5 Å²	56.5	74%	0.743	31%	0.309	S	S	*	.	H	α-helix	trans	-68.5	-34.5	175.3	-63.3	-177.9	179.2	179.8	0	113.7	S477 R483	S477-K479 PolarHBondContact O-N 3.37Å; K479-R483 VanDerWaalsContact O-CB 3.31Å; K479-R483 WeakPolarHBondContact O-CB 3.5Å; K479-R483 PolarHBondContact O-N 2.88Å; K479-R483 VanDerWaalsContact O-N 3.16Å
480	K	73.6	Confident	72.5	Confident	50 Å²	50	55.8 Å²	55.8	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-43.7	170.3	-70.7	-177.6	177.7	-177.5	0	110.9	G475 S477 R483 I484 G505 L506	G475-K480 PolarHBondContact O-NZ 2.94Å; S477-K480 WeakPolarHBondContact O-CA 3.14Å; S477-K480 WeakPolarHBondContact O-CB 3.38Å; S477-K480 PolarHBondContact O-N 3.49Å; K480-R483 PolarHBondContact O-N 3.06Å; K480-I484 WeakPolarHBondContact O-CD1 3.27Å; K480-I484 VanDerWaalsContact O-CG1 3.31Å; K480-I484 WeakPolarHBondContact O-CG1 3.48Å; K480-I484 PolarHBondContact O-N 3.06Å; K480-G505 WeakPolarHBondContact CE-O 3.47Å; K480-L506 HydrophobicContact CB-CD2 4.01Å; K480-L506 HydrophobicContact CD-CD2 4.37Å; K480-L506 HydrophobicContact CG-CD2 4.14Å
481	A	73.4	Confident	72.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-49.9	178.3	0	0	0	0	0	111.8	I467 L470 S477 V478 R483 I484 V485	I467-A481 HydrophobicContact CG2-CB 3.94Å; L470-A481 HydrophobicContact CB-CB 3.66Å; L470-A481 HydrophobicContact CD1-CB 4.29Å; S477-A481 PolarHBondContact O-N 3.36Å; V478-A481 PolarHBondContact O-N 3.31Å; A481-R483 VanDerWaalsContact C-N 3.31Å; A481-R483 PolarHBondContact O-N 2.84Å; A481-I484 WeakPolarHBondContact O-CB 3.08Å; A481-I484 PolarHBondContact O-N 3.3Å; A481-I484 VanDerWaalsContact O-N 3.16Å; A481-V485 WeakPolarHBondContact O-CG2 3.06Å; A481-V485 PolarHBondContact O-N 2.95Å; A481-V485 VanDerWaalsContact O-N 3.08Å
482	Q	75.8	Confident	72.5	Confident	88 Å²	88	62.9 Å²	62.9	41%	0.411	34%	0.344	S	S	.	.	H	α-helix	trans	-54.1	-47	171.6	-75.1	168.7	-22.6	0	0	111.5	I467 V478 I484 V485 E486	I467-Q482 HydrophobicContact CD1-CG 4.09Å; I467-Q482 HydrophobicContact CG2-CG 4.43Å; V478-Q482 HydrophobicContact CG1-CG 4.39Å; V478-Q482 WeakPolarHBondContact O-CB 3.38Å; V478-Q482 VanDerWaalsContact O-CG 3.26Å; V478-Q482 WeakPolarHBondContact O-CG 3.38Å; V478-Q482 PolarHBondContact O-N 2.92Å; Q482-I484 VanDerWaalsContact C-N 3.29Å; Q482-I484 PolarHBondContact O-N 3.23Å; Q482-V485 PolarHBondContact O-N 3.34Å; Q482-V485 VanDerWaalsContact O-N 3.13Å; Q482-E486 WeakPolarHBondContact O-CG 3.41Å; Q482-E486 PolarHBondContact O-N 3.28Å
483	R	70.3	Confident	72.6	Confident	104 Å²	104	63.1 Å²	63.1	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-30.2	179.8	-169.7	54.6	172.9	170	5.8	113.5	K479 K480 A481 E486 L487	K479-R483 VanDerWaalsContact O-CB 3.31Å; K479-R483 WeakPolarHBondContact O-CB 3.5Å; K479-R483 PolarHBondContact O-N 2.88Å; K479-R483 VanDerWaalsContact O-N 3.16Å; K480-R483 PolarHBondContact O-N 3.06Å; A481-R483 VanDerWaalsContact C-N 3.31Å; A481-R483 PolarHBondContact O-N 2.84Å; R483-E486 WeakPolarHBondContact CD-OE2 3.48Å; R483-E486 IonicContact CZ-OE2 2.77Å; R483-E486 IonicContact NE-OE2 3.33Å; R483-E486 IonicContact NH1-OE2 2.81Å; R483-E486 PolarHBondContact NH1-OE2 3.1Å; R483-L487 HydrophobicContact CG-CD1 4.02Å; R483-L487 WeakPolarHBondContact O-CB 3.4Å; R483-L487 WeakPolarHBondContact O-CD1 3.16Å; R483-L487 WeakPolarHBondContact O-CG 3.39Å; R483-L487 PolarHBondContact O-N 2.78Å
484	I	75.4	Confident	72.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-69.2	-42.4	172.6	-70.2	159.7	0	0	0	110.6	F462 L470 K480 A481 Q482 E486 L487 R488 F490 L506 L510	F462-I484 HydrophobicContact CD1-CG2 4.05Å; F462-I484 HydrophobicContact CE1-CD1 4.25Å; L470-I484 HydrophobicContact CD1-CB 4.08Å; L470-I484 HydrophobicContact CD1-CG2 3.83Å; L470-I484 HydrophobicContact CD2-CG2 4.15Å; K480-I484 WeakPolarHBondContact O-CD1 3.27Å; K480-I484 VanDerWaalsContact O-CG1 3.31Å; K480-I484 WeakPolarHBondContact O-CG1 3.48Å; K480-I484 PolarHBondContact O-N 3.06Å; A481-I484 WeakPolarHBondContact O-CB 3.08Å; A481-I484 PolarHBondContact O-N 3.3Å; A481-I484 VanDerWaalsContact O-N 3.16Å; Q482-I484 VanDerWaalsContact C-N 3.29Å; Q482-I484 PolarHBondContact O-N 3.23Å; I484-E486 VanDerWaalsContact C-N 3.34Å; I484-E486 PolarHBondContact O-N 3.03Å; I484-L487 PolarHBondContact O-N 2.76Å; I484-L487 VanDerWaalsContact O-N 3.11Å; I484-R488 PolarHBondContact O-N 3.42Å; I484-F490 HydrophobicContact CG2-CE2 4.14Å; I484-F490 HydrophobicContact CG2-CZ 4.23Å; I484-L506 HydrophobicContact CD1-CD2 4Å; I484-L506 HydrophobicContact CG1-CD1 3.97Å; I484-L506 HydrophobicContact CG1-CD2 3.96Å; I484-L510 HydrophobicContact CD1-CD2 3.52Å
485	V	76.9	Confident	72.7	Confident	55 Å²	55	68.3 Å²	68.3	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-40.6	175.6	177.5	0	0	0	0	111.3	I467 L470 A481 Q482 L487 R488	I467-V485 HydrophobicContact CG1-CG2 4.03Å; L470-V485 HydrophobicContact CD1-CG2 3.87Å; A481-V485 WeakPolarHBondContact O-CG2 3.06Å; A481-V485 PolarHBondContact O-N 2.95Å; A481-V485 VanDerWaalsContact O-N 3.08Å; Q482-V485 PolarHBondContact O-N 3.34Å; Q482-V485 VanDerWaalsContact O-N 3.13Å; V485-L487 PolarHBondContact O-N 3.44Å; V485-R488 PolarHBondContact O-N 2.84Å
486	E	78.9	Confident	73.1	Confident	125 Å²	125	65.6 Å²	65.6	58%	0.584	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.6	173.4	-72.1	176.8	175.4	0	0	114.5	Q482 R483 I484	Q482-E486 WeakPolarHBondContact O-CG 3.41Å; Q482-E486 PolarHBondContact O-N 3.28Å; R483-E486 WeakPolarHBondContact CD-OE2 3.48Å; R483-E486 IonicContact CZ-OE2 2.77Å; R483-E486 IonicContact NE-OE2 3.33Å; R483-E486 IonicContact NH1-OE2 2.81Å; R483-E486 PolarHBondContact NH1-OE2 3.1Å; I484-E486 VanDerWaalsContact C-N 3.34Å; I484-E486 PolarHBondContact O-N 3.03Å
487	L	75.4	Confident	72.9	Confident	44 Å²	44	70.1 Å²	70.1	23%	0.23	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	5.5	-175.6	-71.1	166.9	0	0	0	113.4	R483 I484 V485 F490 V499	R483-L487 HydrophobicContact CG-CD1 4.02Å; R483-L487 WeakPolarHBondContact O-CB 3.4Å; R483-L487 WeakPolarHBondContact O-CD1 3.16Å; R483-L487 WeakPolarHBondContact O-CG 3.39Å; R483-L487 PolarHBondContact O-N 2.78Å; I484-L487 PolarHBondContact O-N 2.76Å; I484-L487 VanDerWaalsContact O-N 3.11Å; V485-L487 PolarHBondContact O-N 3.44Å; L487-F490 HydrophobicContact CB-CE1 4.08Å; L487-F490 HydrophobicContact CB-CZ 4.04Å; L487-F490 WeakPolarHBondContact O-CE1 3.48Å; L487-V499 HydrophobicContact CB-CG1 4.3Å; L487-V499 HydrophobicContact CD1-CG1 3.75Å; L487-V499 HydrophobicContact CG-CG1 4.46Å
488	R	80.8	Confident	72.7	Confident	62 Å²	62	70.4 Å²	70.4	23%	0.234	35%	0.345	C	S	.	.			trans	-74.3	151.7	171.8	-69.7	171.7	179	176.4	-0.3	111.3	F462 Q463 A465 I484 V485 F490	F462-R488 PolarHBondContact O-NE 3.17Å; F462-R488 PolarHBondContact O-NH2 2.98Å; Q463-R488 WeakPolarHBondContact O-CD 3.4Å; Q463-R488 PolarHBondContact O-NE 3.01Å; Q463-R488 PolarHBondContact O-NH1 3.12Å; A465-R488 VanDerWaalsContact O-CZ 3.26Å; A465-R488 PolarHBondContact O-NH1 3.47Å; A465-R488 PolarHBondContact O-NH2 3.26Å; I484-R488 PolarHBondContact O-N 3.42Å; V485-R488 PolarHBondContact O-N 2.84Å; R488-F490 HydrophobicContact CG-CD2 4.1Å; R488-F490 HydrophobicContact CG-CE2 3.66Å; R488-F490 HydrophobicContact CG-CZ 4.3Å
489	P	71.4	Confident	72.6	Confident	79 Å²	79	67.9 Å²	67.9	51%	0.513	33%	0.329	S	S	.	.			cis	-83.5	156.8	1.6	34.4	-36.1	0	0	0	114.1	Q463	Q463-P489 VanDerWaalsContact OE1-CA 3.3Å
490	F	76.1	Confident	72.3	Confident	6 Å²	6	60 Å²	60	3%	0.026	30%	0.295	C	S	.	.			trans	-103.8	85.6	173.7	-57.7	-63.5	0	0	0	111	F462 I484 L487 R488 S492 L496 V499	F462-F490 HydrophobicContact CB-CD2 4.35Å; F462-F490 HydrophobicContact CB-CE2 4.32Å; F462-F490 WeakPolarHBondContact O-CE2 3.48Å; I484-F490 HydrophobicContact CG2-CE2 4.14Å; I484-F490 HydrophobicContact CG2-CZ 4.23Å; L487-F490 HydrophobicContact CB-CE1 4.08Å; L487-F490 HydrophobicContact CB-CZ 4.04Å; L487-F490 WeakPolarHBondContact O-CE1 3.48Å; R488-F490 HydrophobicContact CG-CD2 4.1Å; R488-F490 HydrophobicContact CG-CE2 3.66Å; R488-F490 HydrophobicContact CG-CZ 4.3Å; F490-S492 PolarHBondContact O-N 2.91Å; F490-S492 VanDerWaalsContact O-N 3.09Å; F490-L496 HydrophobicContact CB-CB 4.39Å; F490-L496 HydrophobicContact CB-CD1 4.42Å; F490-L496 HydrophobicContact CD1-CB 4.45Å; F490-L496 HydrophobicContact CD1-CD1 3.86Å; F490-L496 HydrophobicContact CD2-CD1 3.87Å; F490-L496 HydrophobicContact CE1-CD1 4.05Å; F490-L496 HydrophobicContact CE2-CD1 4.05Å; F490-L496 HydrophobicContact CG-CB 4.47Å; F490-L496 HydrophobicContact CG-CD1 3.78Å; F490-L496 HydrophobicContact CZ-CD1 4.14Å; F490-V499 HydrophobicContact CE1-CB 4.48Å; F490-V499 HydrophobicContact CE1-CG1 4.2Å; F490-V499 HydrophobicContact CE1-CG2 4.48Å
491	D	67.6	Low	72	Confident	142 Å²	142	62 Å²	62	76%	0.759	31%	0.305	S	S	*	.			trans	-64.8	-14.6	-173.3	-55.2	-39.8	0	0	0	115.1
492	S	72	Confident	71.4	Confident	46 Å²	46	68 Å²	68	32%	0.322	33%	0.331	S	S	.	.	S	Bend	trans	-157.4	159.4	177.1	77.9	0	0	0	0	112.8	F490 E494 S495 L496	F490-S492 PolarHBondContact O-N 2.91Å; F490-S492 VanDerWaalsContact O-N 3.09Å; S492-E494 PolarHBondContact O-N 3.42Å; S492-E494 PolarHBondContact OG-N 3.33Å; S492-S495 WeakPolarHBondContact O-CB 3.32Å; S492-S495 PolarHBondContact O-N 3.4Å; S492-S495 VanDerWaalsContact O-N 3.1Å; S492-S495 PolarHBondContact OG-N 2.88Å; S492-L496 PolarHBondContact O-N 3.44Å
493	W	67	Low	70.4	Confident	54 Å²	54	67.4 Å²	67.4	21%	0.205	35%	0.349	C	S	.	.	H	α-helix	trans	-55.9	-36.6	172.4	174.4	-90.5	0	0	0	112	K455 I458 L459 L496 W497 M511	K455-W493 HydrophobicContact CB-CD2 3.83Å; K455-W493 HydrophobicContact CB-CE3 3.47Å; K455-W493 VanDerWaalsContact CB-CE3 3.47Å; K455-W493 HydrophobicContact CB-CG 4.41Å; K455-W493 HydrophobicContact CB-CH2 4.45Å; K455-W493 HydrophobicContact CB-CZ3 3.81Å; K455-W493 HydrophobicContact CD-CD2 3.83Å; K455-W493 HydrophobicContact CD-CE3 4.31Å; K455-W493 HydrophobicContact CD-CG 4.04Å; K455-W493 HydrophobicContact CD-CZ2 4.41Å; K455-W493 HydrophobicContact CG-CD2 3.75Å; K455-W493 HydrophobicContact CG-CE3 3.73Å; K455-W493 HydrophobicContact CG-CG 4.43Å; K455-W493 HydrophobicContact CG-CH2 3.97Å; K455-W493 HydrophobicContact CG-CZ2 4.02Å; K455-W493 HydrophobicContact CG-CZ3 3.84Å; I458-W493 HydrophobicContact CB-CZ3 3.97Å; I458-W493 HydrophobicContact CD1-CH2 4.36Å; I458-W493 HydrophobicContact CD1-CZ3 4.31Å; I458-W493 HydrophobicContact CG2-CH2 4.42Å; I458-W493 HydrophobicContact CG2-CZ3 3.8Å; L459-W493 VanDerWaalsContact CD1-N 3.28Å; W493-L496 HydrophobicContact CE3-CD2 4.46Å; W493-L496 PolarHBondContact O-N 3.31Å; W493-W497 VanDerWaalsContact O-CB 3.25Å; W493-W497 WeakPolarHBondContact O-CB 3.13Å; W493-W497 PolarHBondContact O-N 2.94Å; W493-M511 HydrophobicContact CH2-CE 3.28Å; W493-M511 HydrophobicContact CZ2-CE 3.96Å; W493-M511 HydrophobicContact CZ3-CE 3.62Å
494	E	70.5	Confident	69.8	Low	151 Å²	151	65.8 Å²	65.8	71%	0.706	35%	0.348	S	S	*	.	H	α-helix	trans	-68.8	-38	178.3	-63.5	177.9	169.2	0	0	111.3	S492 W497 D498	S492-E494 PolarHBondContact O-N 3.42Å; S492-E494 PolarHBondContact OG-N 3.33Å; E494-W497 PolarHBondContact O-N 2.74Å; E494-D498 VanDerWaalsContact O-CB 3.27Å; E494-D498 WeakPolarHBondContact O-CB 3.36Å; E494-D498 PolarHBondContact O-N 3.38Å
495	S	69.6	Low	69	Low	41 Å²	41	68.4 Å²	68.4	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-49.1	173.1	-171.8	0	0	0	0	111.7	S492 W497 D498 V499	S492-S495 WeakPolarHBondContact O-CB 3.32Å; S492-S495 PolarHBondContact O-N 3.4Å; S492-S495 VanDerWaalsContact O-N 3.1Å; S492-S495 PolarHBondContact OG-N 2.88Å; S495-W497 PolarHBondContact O-N 3.01Å; S495-D498 PolarHBondContact O-N 2.9Å; S495-V499 WeakPolarHBondContact O-CB 3.36Å; S495-V499 VanDerWaalsContact O-CG2 3.29Å; S495-V499 WeakPolarHBondContact O-CG2 3.48Å; S495-V499 PolarHBondContact O-N 2.8Å
496	L	70.9	Confident	68.4	Low	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-57.7	-47.8	175.6	-178	70.7	0	0	0	111.5	I458 F462 F490 S492 W493 V499 F500 M511	I458-L496 HydrophobicContact CG2-CD2 4.37Å; F462-L496 HydrophobicContact CB-CD1 3.89Å; F462-L496 HydrophobicContact CB-CD2 4.4Å; F462-L496 HydrophobicContact CD2-CD1 4.34Å; F462-L496 HydrophobicContact CD2-CD2 3.97Å; F462-L496 HydrophobicContact CG-CD1 4.21Å; F490-L496 HydrophobicContact CB-CB 4.39Å; F490-L496 HydrophobicContact CB-CD1 4.42Å; F490-L496 HydrophobicContact CD1-CB 4.45Å; F490-L496 HydrophobicContact CD1-CD1 3.86Å; F490-L496 HydrophobicContact CD2-CD1 3.87Å; F490-L496 HydrophobicContact CE1-CD1 4.05Å; F490-L496 HydrophobicContact CE2-CD1 4.05Å; F490-L496 HydrophobicContact CG-CB 4.47Å; F490-L496 HydrophobicContact CG-CD1 3.78Å; F490-L496 HydrophobicContact CZ-CD1 4.14Å; S492-L496 PolarHBondContact O-N 3.44Å; W493-L496 HydrophobicContact CE3-CD2 4.46Å; W493-L496 PolarHBondContact O-N 3.31Å; L496-V499 PolarHBondContact O-N 2.84Å; L496-F500 HydrophobicContact CD1-CD2 4.23Å; L496-F500 HydrophobicContact CD1-CE2 3.6Å; L496-F500 HydrophobicContact CD1-CZ 4.28Å; L496-F500 HydrophobicContact CG-CE2 4.24Å; L496-F500 WeakPolarHBondContact O-CD2 3.28Å; L496-F500 PolarHBondContact O-N 3.39Å; L496-F500 VanDerWaalsContact O-N 3.17Å; L496-M511 HydrophobicContact CD2-CE 3.91Å; L496-M511 HydrophobicContact CD2-SD 4.42Å; L496-M511 HydrophobicContact CG-CE 4.49Å
497	W	68.1	Low	67.8	Low	115 Å²	115	62.4 Å²	62.4	44%	0.436	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-41.9	-178.9	-164.2	84.1	0	0	0	112	W493 E494 S495 F500 H501	W493-W497 VanDerWaalsContact O-CB 3.25Å; W493-W497 WeakPolarHBondContact O-CB 3.13Å; W493-W497 PolarHBondContact O-N 2.94Å; E494-W497 PolarHBondContact O-N 2.74Å; S495-W497 PolarHBondContact O-N 3.01Å; W497-F500 PolarHBondContact O-N 2.77Å; W497-H501 AromaticContact CD1-CE1 3.82Å; W497-H501 AromaticContact CD2-CE1 3.82Å; W497-H501 AromaticContact CD2-ND1 3.57Å; W497-H501 AromaticContact CE2-CE1 3.27Å; W497-H501 AromaticContact CE2-ND1 3.52Å; W497-H501 AromaticContact CE2-NE2 3.87Å; W497-H501 AromaticContact CE3-ND1 3.96Å; W497-H501 AromaticContact CG-ND1 3.94Å; W497-H501 AromaticContact CZ2-CE1 3.56Å; W497-H501 AromaticContact CZ2-ND1 3.88Å; W497-H501 AromaticContact CZ2-NE2 3.67Å; W497-H501 AromaticContact NE1-CE1 3.28Å; W497-H501 PolarHBondContact NE1-CE1 3.26Å; W497-H501 VanDerWaalsContact NE1-CE1 3.28Å; W497-H501 AromaticContact NE1-ND1 3.81Å; W497-H501 PolarHBondContact O-N 2.97Å; W497-H501 PolarHBondContact O-ND1 3.12Å
498	D	68.4	Low	67.4	Low	65 Å²	65	64.8 Å²	64.8	35%	0.348	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-42.3	173.4	-102.4	-6.6	0	0	0	112.2	E494 S495 F500 H501 K502	E494-D498 VanDerWaalsContact O-CB 3.27Å; E494-D498 WeakPolarHBondContact O-CB 3.36Å; E494-D498 PolarHBondContact O-N 3.38Å; S495-D498 PolarHBondContact O-N 2.9Å; D498-F500 VanDerWaalsContact C-N 3.28Å; D498-F500 PolarHBondContact O-N 3.42Å; D498-H501 PolarHBondContact O-N 3.18Å; D498-K502 HydrophobicContact CB-CD 4.18Å; D498-K502 WeakPolarHBondContact O-CB 3.27Å; D498-K502 WeakPolarHBondContact O-CD 3.44Å; D498-K502 WeakPolarHBondContact O-CG 3.3Å; D498-K502 PolarHBondContact O-N 2.87Å; D498-K502 IonicContact OD1-NZ 3.99Å; D498-K502 VanDerWaalsContact OD2-CE 3.26Å; D498-K502 WeakPolarHBondContact OD2-CE 3.47Å; D498-K502 IonicContact OD2-NZ 2.63Å; D498-K502 PolarHBondContact OD2-NZ 3.14Å
499	V	69.5	Low	66.6	Low	28 Å²	28	67 Å²	67	17%	0.17	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-36.5	179.5	165.2	0	0	0	0	111.7	L487 F490 S495 L496 N504	L487-V499 HydrophobicContact CB-CG1 4.3Å; L487-V499 HydrophobicContact CD1-CG1 3.75Å; L487-V499 HydrophobicContact CG-CG1 4.46Å; F490-V499 HydrophobicContact CE1-CB 4.48Å; F490-V499 HydrophobicContact CE1-CG1 4.2Å; F490-V499 HydrophobicContact CE1-CG2 4.48Å; S495-V499 WeakPolarHBondContact O-CB 3.36Å; S495-V499 VanDerWaalsContact O-CG2 3.29Å; S495-V499 WeakPolarHBondContact O-CG2 3.48Å; S495-V499 PolarHBondContact O-N 2.8Å; L496-V499 PolarHBondContact O-N 2.84Å; V499-N504 PolarHBondContact O-ND2 3.22Å; V499-N504 VanDerWaalsContact O-ND2 3.14Å
500	F	67.6	Low	66.5	Low	6 Å²	6	63.3 Å²	63.3	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-71.9	-40.6	176.4	-81.2	-134.2	0	0	0	111.6	F462 L496 W497 D498 L506 L510 M511	F462-F500 HydrophobicContact CD1-CZ 4.21Å; F462-F500 HydrophobicContact CD2-CZ 4.46Å; F462-F500 AromaticContact CE1-CZ 3.89Å; F462-F500 HydrophobicContact CE1-CZ 3.89Å; F462-F500 HydrophobicContact CE2-CZ 4.14Å; F462-F500 HydrophobicContact CG-CZ 4.49Å; F462-F500 HydrophobicContact CZ-CE1 4.16Å; F462-F500 AromaticContact CZ-CZ 3.84Å; F462-F500 HydrophobicContact CZ-CZ 3.84Å; L496-F500 HydrophobicContact CD1-CD2 4.23Å; L496-F500 HydrophobicContact CD1-CE2 3.6Å; L496-F500 HydrophobicContact CD1-CZ 4.28Å; L496-F500 HydrophobicContact CG-CE2 4.24Å; L496-F500 WeakPolarHBondContact O-CD2 3.28Å; L496-F500 PolarHBondContact O-N 3.39Å; L496-F500 VanDerWaalsContact O-N 3.17Å; W497-F500 PolarHBondContact O-N 2.77Å; D498-F500 VanDerWaalsContact C-N 3.28Å; D498-F500 PolarHBondContact O-N 3.42Å; F500-L506 HydrophobicContact CB-CB 4.46Å; F500-L506 HydrophobicContact CD1-CB 4.22Å; F500-L506 HydrophobicContact CD2-CD1 3.84Å; F500-L506 HydrophobicContact CE2-CD1 3.94Å; F500-L506 HydrophobicContact CG-CB 4.16Å; F500-L506 HydrophobicContact CG-CD1 4.27Å; F500-L506 HydrophobicContact CZ-CD1 4.46Å; F500-L510 HydrophobicContact CE1-CB 4.07Å; F500-L510 HydrophobicContact CE1-CD2 3.74Å; F500-L510 HydrophobicContact CE1-CG 4.34Å; F500-L510 HydrophobicContact CZ-CD2 3.99Å; F500-M511 HydrophobicContact CD1-CG 3.75Å; F500-M511 HydrophobicContact CD1-SD 3.79Å; F500-M511 HydrophobicContact CE1-CG 3.76Å; F500-M511 HydrophobicContact CE1-SD 3.39Å; F500-M511 WeakPolarHBondContact CE1-SD 3.34Å; F500-M511 HydrophobicContact CZ-SD 3.85Å
501	H	65.8	Low	66.2	Low	90 Å²	90	63.2 Å²	63.2	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-83.1	-21.9	-176.9	-70.6	78.8	0	0	0	114.2	W497 D498 G503	W497-H501 AromaticContact CD1-CE1 3.82Å; W497-H501 AromaticContact CD2-CE1 3.82Å; W497-H501 AromaticContact CD2-ND1 3.57Å; W497-H501 AromaticContact CE2-CE1 3.27Å; W497-H501 AromaticContact CE2-ND1 3.52Å; W497-H501 AromaticContact CE2-NE2 3.87Å; W497-H501 AromaticContact CE3-ND1 3.96Å; W497-H501 AromaticContact CG-ND1 3.94Å; W497-H501 AromaticContact CZ2-CE1 3.56Å; W497-H501 AromaticContact CZ2-ND1 3.88Å; W497-H501 AromaticContact CZ2-NE2 3.67Å; W497-H501 AromaticContact NE1-CE1 3.28Å; W497-H501 PolarHBondContact NE1-CE1 3.26Å; W497-H501 VanDerWaalsContact NE1-CE1 3.28Å; W497-H501 AromaticContact NE1-ND1 3.81Å; W497-H501 PolarHBondContact O-N 2.97Å; W497-H501 PolarHBondContact O-ND1 3.12Å; D498-H501 PolarHBondContact O-N 3.18Å; H501-G503 PolarHBondContact O-N 3.13Å
502	K	60.6	Low	66.3	Low	127 Å²	127	62.6 Å²	62.6	55%	0.552	35%	0.345	S	S	*	.	S	Bend	trans	-79.9	58.2	177.9	-71.4	169.4	-172.2	169.4	0	113.2	D498 N504	D498-K502 HydrophobicContact CB-CD 4.18Å; D498-K502 WeakPolarHBondContact O-CB 3.27Å; D498-K502 WeakPolarHBondContact O-CD 3.44Å; D498-K502 WeakPolarHBondContact O-CG 3.3Å; D498-K502 PolarHBondContact O-N 2.87Å; D498-K502 IonicContact OD1-NZ 3.99Å; D498-K502 VanDerWaalsContact OD2-CE 3.26Å; D498-K502 WeakPolarHBondContact OD2-CE 3.47Å; D498-K502 IonicContact OD2-NZ 2.63Å; D498-K502 PolarHBondContact OD2-NZ 3.14Å; K502-N504 VanDerWaalsContact C-N 3.26Å; K502-N504 PolarHBondContact O-N 3.08Å; K502-N504 PolarHBondContact O-ND2 2.99Å
503	G	55.2	Low	66.1	Low	76 Å²	76	60.4 Å²	60.4	78%	0.784	33%	0.33	S	S	*	.	S	Bend	trans	66.8	9	158.3	0	0	0	0	0	117.9	H501 G505	H501-G503 PolarHBondContact O-N 3.13Å; G503-G505 VanDerWaalsContact C-N 3.31Å; G503-G505 PolarHBondContact O-N 2.98Å
504	N	58.7	Low	66.3	Low	69 Å²	69	57.9 Å²	57.9	37%	0.369	32%	0.32	S	S	.	.	S	Bend	trans	-83.5	8.4	-171.4	-72	-50.1	0	0	0	115.4	V499 K502 L506	V499-N504 PolarHBondContact O-ND2 3.22Å; V499-N504 VanDerWaalsContact O-ND2 3.14Å; K502-N504 VanDerWaalsContact C-N 3.26Å; K502-N504 PolarHBondContact O-N 3.08Å; K502-N504 PolarHBondContact O-ND2 2.99Å; N504-L506 PolarHBondContact O-N 3.35Å
505	G	58.3	Low	66.4	Low	55 Å²	55	55.1 Å²	55.1	57%	0.567	31%	0.306	S	S	*	.	S	Bend	trans	76	6.8	-177.8	0	0	0	0	0	115.2	K480 G503	K480-G505 WeakPolarHBondContact CE-O 3.47Å; G503-G505 VanDerWaalsContact C-N 3.31Å; G503-G505 PolarHBondContact O-N 2.98Å
506	L	64.7	Low	66.5	Low	16 Å²	16	56.1 Å²	56.1	8%	0.084	31%	0.311	C	S	.	.			trans	-81.6	154.3	162.8	-57.4	176.1	0	0	0	108.9	K480 I484 F500 N504 L510	K480-L506 HydrophobicContact CB-CD2 4.01Å; K480-L506 HydrophobicContact CD-CD2 4.37Å; K480-L506 HydrophobicContact CG-CD2 4.14Å; I484-L506 HydrophobicContact CD1-CD2 4Å; I484-L506 HydrophobicContact CG1-CD1 3.97Å; I484-L506 HydrophobicContact CG1-CD2 3.96Å; F500-L506 HydrophobicContact CB-CB 4.46Å; F500-L506 HydrophobicContact CD1-CB 4.22Å; F500-L506 HydrophobicContact CD2-CD1 3.84Å; F500-L506 HydrophobicContact CE2-CD1 3.94Å; F500-L506 HydrophobicContact CG-CB 4.16Å; F500-L506 HydrophobicContact CG-CD1 4.27Å; F500-L506 HydrophobicContact CZ-CD1 4.46Å; N504-L506 PolarHBondContact O-N 3.35Å; L506-L510 HydrophobicContact CD2-CD2 4.32Å
507	S	65.6	Low	66.4	Low	38 Å²	38	56.5 Å²	56.5	27%	0.266	31%	0.313	S	S	.	.			trans	-137.4	156.4	-177.7	59.2	0	0	0	0	111.5	D509 L510	S507-D509 WeakPolarHBondContact CB-OD2 3.46Å; S507-D509 PolarHBondContact O-N 2.75Å; S507-D509 PolarHBondContact OG-OD2 3.19Å; S507-L510 WeakPolarHBondContact O-CB 3.43Å; S507-L510 PolarHBondContact O-N 2.97Å
508	D	66.4	Low	66.6	Low	94 Å²	94	52 Å²	52	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-22	-178.6	-164.8	49	0	0	0	112.5	L510 M511 H512	D508-L510 PolarHBondContact O-N 3.38Å; D508-L510 VanDerWaalsContact O-N 3.1Å; D508-M511 WeakPolarHBondContact O-CA 3.46Å; D508-M511 WeakPolarHBondContact O-CB 3.23Å; D508-M511 PolarHBondContact O-N 3.05Å; D508-H512 PolarHBondContact O-N 2.82Å
509	D	64.6	Low	66.7	Low	108 Å²	108	56.3 Å²	56.3	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-52	-33	168.9	-34.2	-65.1	0	0	0	112	S507 H512 G513	S507-D509 WeakPolarHBondContact CB-OD2 3.46Å; S507-D509 PolarHBondContact O-N 2.75Å; S507-D509 PolarHBondContact OG-OD2 3.19Å; D509-H512 PolarHBondContact O-N 3.02Å; D509-G513 PolarHBondContact O-N 3.45Å
510	L	69.3	Low	66.6	Low	2 Å²	2	56.6 Å²	56.6	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-71.8	-32.4	178.7	-158.7	80.2	0	0	0	111.8	F462 I473 C476 I484 F500 L506 S507 D508 C514	F462-L510 HydrophobicContact CE1-CD2 4.09Å; F462-L510 HydrophobicContact CE1-CG 4.5Å; F462-L510 HydrophobicContact CZ-CD2 4.27Å; F462-L510 HydrophobicContact CZ-CG 4.31Å; I473-L510 HydrophobicContact CB-CD1 3.91Å; I473-L510 HydrophobicContact CD1-CD1 4.47Å; I473-L510 HydrophobicContact CD1-CG 4.29Å; I473-L510 HydrophobicContact CG2-CB 4.49Å; I473-L510 HydrophobicContact CG2-CD1 3.44Å; I473-L510 VanDerWaalsContact CG2-CD1 3.44Å; I473-L510 HydrophobicContact CG2-CG 3.85Å; I473-L510 WeakPolarHBondContact CG2-O 3.45Å; C476-L510 HydrophobicContact CB-CD1 3.58Å; I484-L510 HydrophobicContact CD1-CD2 3.52Å; F500-L510 HydrophobicContact CE1-CB 4.07Å; F500-L510 HydrophobicContact CE1-CD2 3.74Å; F500-L510 HydrophobicContact CE1-CG 4.34Å; F500-L510 HydrophobicContact CZ-CD2 3.99Å; L506-L510 HydrophobicContact CD2-CD2 4.32Å; S507-L510 WeakPolarHBondContact O-CB 3.43Å; S507-L510 PolarHBondContact O-N 2.97Å; D508-L510 PolarHBondContact O-N 3.38Å; D508-L510 VanDerWaalsContact O-N 3.1Å; L510-C514 VanDerWaalsContact O-CB 3.25Å; L510-C514 WeakPolarHBondContact O-CB 3.39Å; L510-C514 PolarHBondContact O-N 3.27Å
511	M	70	Confident	66.6	Low	5 Å²	5	60.4 Å²	60.4	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-73.2	-31.8	172.6	-59.8	-65.6	-73.9	0	0	111.3	I458 F462 W493 L496 F500 D508 K515	I458-M511 HydrophobicContact CG2-CE 3.8Å; I458-M511 HydrophobicContact CG2-SD 4.42Å; F462-M511 HydrophobicContact CD2-SD 4.22Å; F462-M511 HydrophobicContact CE2-SD 3.55Å; F462-M511 VanDerWaalsContact CE2-SD 3.55Å; F462-M511 HydrophobicContact CZ-SD 4.21Å; W493-M511 HydrophobicContact CH2-CE 3.28Å; W493-M511 HydrophobicContact CZ2-CE 3.96Å; W493-M511 HydrophobicContact CZ3-CE 3.62Å; L496-M511 HydrophobicContact CD2-CE 3.91Å; L496-M511 HydrophobicContact CD2-SD 4.42Å; L496-M511 HydrophobicContact CG-CE 4.49Å; F500-M511 HydrophobicContact CD1-CG 3.75Å; F500-M511 HydrophobicContact CD1-SD 3.79Å; F500-M511 HydrophobicContact CE1-CG 3.76Å; F500-M511 HydrophobicContact CE1-SD 3.39Å; F500-M511 WeakPolarHBondContact CE1-SD 3.34Å; F500-M511 HydrophobicContact CZ-SD 3.85Å; D508-M511 WeakPolarHBondContact O-CA 3.46Å; D508-M511 WeakPolarHBondContact O-CB 3.23Å; D508-M511 PolarHBondContact O-N 3.05Å; M511-K515 PolarHBondContact O-N 2.88Å
512	H	69	Low	66.8	Low	128 Å²	128	61.3 Å²	61.3	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-69.3	-50.3	171.3	-169.5	100.5	0	0	0	111.4	D508 D509 C514 K515 V516	D508-H512 PolarHBondContact O-N 2.82Å; D509-H512 PolarHBondContact O-N 3.02Å; H512-C514 VanDerWaalsContact C-N 3.3Å; H512-C514 PolarHBondContact O-N 2.96Å; H512-K515 WeakPolarHBondContact O-CB 3.38Å; H512-K515 PolarHBondContact O-N 2.86Å; H512-V516 PolarHBondContact O-N 3.45Å
513	G	67.6	Low	67.2	Low	1 Å²	1	58.1 Å²	58.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-34.4	177.9	0	0	0	0	0	112.9	D509 K515 V516 V517	D509-G513 PolarHBondContact O-N 3.45Å; G513-K515 VanDerWaalsContact C-N 3.32Å; G513-K515 PolarHBondContact O-N 2.93Å; G513-V516 WeakPolarHBondContact O-CB 3.32Å; G513-V516 PolarHBondContact O-N 2.77Å; G513-V517 WeakPolarHBondContact O-CG2 3.09Å; G513-V517 PolarHBondContact O-N 3.37Å
514	C	72.4	Confident	67.8	Low	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-41.6	171.6	-175.6	0	0	0	0	112	F461 F462 I473 L510 H512 V516 V517 L518	F461-C514 VanDerWaalsContact CD1-SG 3.56Å; F462-C514 HydrophobicContact CE2-CB 3.7Å; F462-C514 VanDerWaalsContact CE2-SG 3.58Å; F462-C514 HydrophobicContact CZ-CB 3.75Å; I473-C514 HydrophobicContact CD1-CB 3.9Å; I473-C514 HydrophobicContact CG1-CB 4.49Å; L510-C514 VanDerWaalsContact O-CB 3.25Å; L510-C514 WeakPolarHBondContact O-CB 3.39Å; L510-C514 PolarHBondContact O-N 3.27Å; H512-C514 VanDerWaalsContact C-N 3.3Å; H512-C514 PolarHBondContact O-N 2.96Å; C514-V516 VanDerWaalsContact C-N 3.29Å; C514-V516 PolarHBondContact O-N 2.83Å; C514-V517 PolarHBondContact O-N 3.43Å; C514-L518 WeakPolarHBondContact O-CB 3.21Å; C514-L518 WeakPolarHBondContact O-CG 3.37Å; C514-L518 PolarHBondContact O-N 2.91Å
515	K	73.3	Confident	68.2	Low	93 Å²	93	55.7 Å²	55.7	40%	0.404	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-33.2	173.3	-70.5	166.6	-178.3	170.1	0	112.8	V454 I458 M511 H512 G513 K519	V454-K515 HydrophobicContact CG1-CG 4.47Å; I458-K515 HydrophobicContact CD1-CD 4.16Å; I458-K515 VanDerWaalsContact CD1-CE 3.49Å; I458-K515 HydrophobicContact CD1-CG 3.52Å; I458-K515 HydrophobicContact CG1-CG 4.42Å; M511-K515 PolarHBondContact O-N 2.88Å; H512-K515 WeakPolarHBondContact O-CB 3.38Å; H512-K515 PolarHBondContact O-N 2.86Å; G513-K515 VanDerWaalsContact C-N 3.32Å; G513-K515 PolarHBondContact O-N 2.93Å; K515-K519 WeakPolarHBondContact O-CB 3.46Å; K515-K519 WeakPolarHBondContact O-CG 3.31Å; K515-K519 PolarHBondContact O-N 2.99Å
516	V	71.3	Confident	68.8	Low	63 Å²	63	54.7 Å²	54.7	38%	0.382	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-52.9	174.3	-179.8	0	0	0	0	110	H512 G513 C514 L518 K519 E520	H512-V516 PolarHBondContact O-N 3.45Å; G513-V516 WeakPolarHBondContact O-CB 3.32Å; G513-V516 PolarHBondContact O-N 2.77Å; C514-V516 VanDerWaalsContact C-N 3.29Å; C514-V516 PolarHBondContact O-N 2.83Å; V516-L518 VanDerWaalsContact C-N 3.3Å; V516-L518 PolarHBondContact O-N 2.89Å; V516-K519 WeakPolarHBondContact O-CB 3.35Å; V516-K519 PolarHBondContact O-N 2.96Å; V516-E520 HydrophobicContact CG1-CG 4.45Å; V516-E520 WeakPolarHBondContact O-CG 3.45Å; V516-E520 PolarHBondContact O-N 2.92Å
517	V	69.4	Low	69	Low	8 Å²	8	54.8 Å²	54.8	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-39.5	178.7	175.4	0	0	0	0	111.9	F461 L472 I473 G513 C514 E520 R521 M757	F461-V517 HydrophobicContact CE2-CG1 4.49Å; F461-V517 HydrophobicContact CZ-CG1 4.33Å; L472-V517 HydrophobicContact CB-CG1 4.32Å; L472-V517 HydrophobicContact CB-CG2 4.08Å; L472-V517 HydrophobicContact CD1-CG1 4.3Å; I473-V517 HydrophobicContact CG1-CG2 4.28Å; G513-V517 WeakPolarHBondContact O-CG2 3.09Å; G513-V517 PolarHBondContact O-N 3.37Å; C514-V517 PolarHBondContact O-N 3.43Å; V517-E520 PolarHBondContact O-N 2.98Å; V517-R521 WeakPolarHBondContact O-CB 3.41Å; V517-R521 PolarHBondContact O-N 2.89Å; V517-M757 HydrophobicContact CG1-CE 4.31Å
518	L	71.7	Confident	69.2	Low	21 Å²	21	53.4 Å²	53.4	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-36.7	175.5	-73	173.1	0	0	0	113.1	E457 I458 F461 C514 V516 R521 K522	E457-L518 HydrophobicContact CB-CD1 4.43Å; I458-L518 HydrophobicContact CB-CD1 4.41Å; I458-L518 HydrophobicContact CG1-CD1 3.58Å; F461-L518 HydrophobicContact CB-CD1 4.44Å; F461-L518 HydrophobicContact CB-CD2 4.27Å; F461-L518 HydrophobicContact CD2-CD2 3.88Å; F461-L518 HydrophobicContact CG-CD2 4.26Å; C514-L518 WeakPolarHBondContact O-CB 3.21Å; C514-L518 WeakPolarHBondContact O-CG 3.37Å; C514-L518 PolarHBondContact O-N 2.91Å; V516-L518 VanDerWaalsContact C-N 3.3Å; V516-L518 PolarHBondContact O-N 2.89Å; L518-R521 PolarHBondContact O-N 3.38Å; L518-K522 WeakPolarHBondContact O-CG 3.39Å; L518-K522 PolarHBondContact O-N 2.99Å
519	K	70.8	Confident	69.5	Low	155 Å²	155	52 Å²	52	67%	0.674	27%	0.266	S	S	*	.	H	α-helix	trans	-64.2	-46.1	171.3	-80.5	-174.6	173.7	-164.5	0	111.2	K515 V516 R521 K522 V523	K515-K519 WeakPolarHBondContact O-CB 3.46Å; K515-K519 WeakPolarHBondContact O-CG 3.31Å; K515-K519 PolarHBondContact O-N 2.99Å; V516-K519 WeakPolarHBondContact O-CB 3.35Å; V516-K519 PolarHBondContact O-N 2.96Å; K519-R521 VanDerWaalsContact C-N 3.33Å; K519-R521 PolarHBondContact O-N 3.19Å; K519-K522 PolarHBondContact O-N 3.26Å; K519-V523 WeakPolarHBondContact O-CG2 3.38Å; K519-V523 PolarHBondContact O-N 2.95Å
520	E	66.3	Low	69.9	Low	33 Å²	33	53.3 Å²	53.3	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-41.9	175.9	-67.2	-178.2	154.8	0	0	111.5	V516 V517 K522 V523 I524 Q753 M757	V516-E520 HydrophobicContact CG1-CG 4.45Å; V516-E520 WeakPolarHBondContact O-CG 3.45Å; V516-E520 PolarHBondContact O-N 2.92Å; V517-E520 PolarHBondContact O-N 2.98Å; E520-K522 PolarHBondContact O-N 3.35Å; E520-V523 PolarHBondContact O-N 3.32Å; E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 2.64Å; E520-Q753 HydrophobicContact CG-CB 4.31Å; E520-Q753 HydrophobicContact CG-CG 3.96Å; E520-M757 HydrophobicContact CB-CE 3.62Å
521	R	68.4	Low	69.8	Low	86 Å²	86	53.2 Å²	53.2	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-43.9	174.2	-176	174.3	176.3	149.3	-3.3	111.8	E469 V517 L518 K519 I524 L525 M757	E469-R521 IonicContact OE1-NH1 3.82Å; E469-R521 PolarHBondContact OE1-NH1 3.49Å; V517-R521 WeakPolarHBondContact O-CB 3.41Å; V517-R521 PolarHBondContact O-N 2.89Å; L518-R521 PolarHBondContact O-N 3.38Å; K519-R521 VanDerWaalsContact C-N 3.33Å; K519-R521 PolarHBondContact O-N 3.19Å; R521-I524 PolarHBondContact O-N 2.95Å; R521-L525 HydrophobicContact CG-CD1 4.06Å; R521-L525 WeakPolarHBondContact O-CB 3.49Å; R521-L525 VanDerWaalsContact O-CG 3.31Å; R521-L525 WeakPolarHBondContact O-CG 3.4Å; R521-L525 PolarHBondContact O-N 2.92Å; R521-M757 HydrophobicContact CB-CE 4.1Å
522	K	70.2	Confident	69.9	Low	110 Å²	110	57.6 Å²	57.6	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.7	-80.1	178.5	168	175.6	0	112.5	E457 L518 K519 E520 L525 G526	E457-K522 VanDerWaalsContact OE1-CE 3.22Å; E457-K522 WeakPolarHBondContact OE1-CE 3.22Å; E457-K522 IonicContact OE1-NZ 2.72Å; E457-K522 PolarHBondContact OE1-NZ 2.82Å; E457-K522 WeakPolarHBondContact OE2-CE 3.2Å; E457-K522 IonicContact OE2-NZ 3.48Å; E457-K522 PolarHBondContact OE2-NZ 3.12Å; L518-K522 WeakPolarHBondContact O-CG 3.39Å; L518-K522 PolarHBondContact O-N 2.99Å; K519-K522 PolarHBondContact O-N 3.26Å; E520-K522 PolarHBondContact O-N 3.35Å; K522-L525 PolarHBondContact O-N 3.36Å; K522-G526 PolarHBondContact O-N 3.08Å
523	V	69.3	Low	70.3	Confident	59 Å²	59	54.6 Å²	54.6	36%	0.358	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-46	175.6	174.4	0	0	0	0	111.2	K519 E520 G526 L527 S750	K519-V523 WeakPolarHBondContact O-CG2 3.38Å; K519-V523 PolarHBondContact O-N 2.95Å; E520-V523 PolarHBondContact O-N 3.32Å; V523-G526 PolarHBondContact O-N 3.12Å; V523-L527 HydrophobicContact CG1-CD1 4.22Å; V523-L527 WeakPolarHBondContact O-CG 3.28Å; V523-L527 PolarHBondContact O-N 3.46Å; V523-S750 WeakPolarHBondContact CG1-OG 3.42Å
524	I	66.7	Low	70.5	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-43.6	177.2	-66.6	172.6	0	0	0	111.2	E520 R521 G526 L527 M528 L754 M757	E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 2.64Å; R521-I524 PolarHBondContact O-N 2.95Å; I524-G526 VanDerWaalsContact C-N 3.33Å; I524-G526 PolarHBondContact O-N 3.37Å; I524-L527 PolarHBondContact O-N 2.92Å; I524-M528 HydrophobicContact CG2-CE 4.31Å; I524-M528 HydrophobicContact CG2-CG 4.18Å; I524-M528 WeakPolarHBondContact O-CB 3.31Å; I524-M528 VanDerWaalsContact O-CG 3.27Å; I524-M528 WeakPolarHBondContact O-CG 3.46Å; I524-M528 PolarHBondContact O-N 3.18Å; I524-L754 HydrophobicContact CD1-CD2 3.93Å; I524-L754 HydrophobicContact CD1-CG 4.5Å; I524-L754 HydrophobicContact CG1-CD2 3.81Å; I524-L754 HydrophobicContact CG1-CG 4.39Å; I524-L754 HydrophobicContact CG2-CD2 4.28Å; I524-M757 HydrophobicContact CD1-CB 3.92Å; I524-M757 HydrophobicContact CD1-CE 4.28Å; I524-M757 HydrophobicContact CD1-CG 3.58Å; I524-M757 HydrophobicContact CD1-SD 3.91Å
525	L	67.9	Low	70.3	Confident	85 Å²	85	57.4 Å²	57.4	45%	0.445	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-39.2	176.3	-73.3	169.5	0	0	0	112.3	R521 K522 M528 S529	R521-L525 HydrophobicContact CG-CD1 4.06Å; R521-L525 WeakPolarHBondContact O-CB 3.49Å; R521-L525 VanDerWaalsContact O-CG 3.31Å; R521-L525 WeakPolarHBondContact O-CG 3.4Å; R521-L525 PolarHBondContact O-N 2.92Å; K522-L525 PolarHBondContact O-N 3.36Å; L525-M528 PolarHBondContact O-N 2.99Å; L525-S529 WeakPolarHBondContact O-CB 3.46Å; L525-S529 PolarHBondContact O-N 3.37Å
526	G	70.9	Confident	70.3	Confident	34 Å²	34	57.2 Å²	57.2	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-42.7	173.5	0	0	0	0	0	112.9	K522 V523 I524 S529 K530	K522-G526 PolarHBondContact O-N 3.08Å; V523-G526 PolarHBondContact O-N 3.12Å; I524-G526 VanDerWaalsContact C-N 3.33Å; I524-G526 PolarHBondContact O-N 3.37Å; G526-S529 PolarHBondContact O-N 3.32Å; G526-K530 WeakPolarHBondContact O-CG 3.22Å; G526-K530 PolarHBondContact O-N 3.35Å
527	L	69	Low	70.4	Confident	18 Å²	18	61 Å²	61	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-45.9	174.4	-73.4	170.7	0	0	0	112.1	V523 I524 S529 K530 C531 M746 F747	V523-L527 HydrophobicContact CG1-CD1 4.22Å; V523-L527 WeakPolarHBondContact O-CG 3.28Å; V523-L527 PolarHBondContact O-N 3.46Å; I524-L527 PolarHBondContact O-N 2.92Å; L527-S529 VanDerWaalsContact C-N 3.34Å; L527-S529 PolarHBondContact O-N 3.48Å; L527-K530 PolarHBondContact O-N 3.35Å; L527-C531 PolarHBondContact O-N 3.31Å; L527-C531 PolarHBondContact O-SG 2.93Å; L527-M746 WeakPolarHBondContact CD2-O 3.42Å; L527-F747 HydrophobicContact CB-CE1 4.41Å; L527-F747 HydrophobicContact CD1-CD1 4.28Å
528	M	68.6	Low	70.4	Confident	8 Å²	8	61 Å²	61	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-39	178.6	-67.2	-59.1	168.6	0	0	111.4	I524 L525 C531 Q532 M736 I780	I524-M528 HydrophobicContact CG2-CE 4.31Å; I524-M528 HydrophobicContact CG2-CG 4.18Å; I524-M528 WeakPolarHBondContact O-CB 3.31Å; I524-M528 VanDerWaalsContact O-CG 3.27Å; I524-M528 WeakPolarHBondContact O-CG 3.46Å; I524-M528 PolarHBondContact O-N 3.18Å; L525-M528 PolarHBondContact O-N 2.99Å; M528-C531 PolarHBondContact O-N 3.41Å; M528-Q532 VanDerWaalsContact O-CB 3.26Å; M528-Q532 WeakPolarHBondContact O-CB 3.37Å; M528-Q532 PolarHBondContact O-N 3.47Å; M528-M736 HydrophobicContact CE-CE 4.45Å; M528-M736 HydrophobicContact CE-SD 3.97Å; M528-I780 HydrophobicContact CB-CD1 3.63Å; M528-I780 HydrophobicContact CG-CD1 4.07Å; M528-I780 WeakPolarHBondContact O-CD1 3.44Å; M528-I780 HydrophobicContact SD-CD1 3.49Å; M528-I780 WeakPolarHBondContact SD-CD1 3.48Å
529	S	73.4	Confident	70.3	Confident	64 Å²	64	63 Å²	63	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-41.6	173.4	-179.3	0	0	0	0	113.1	L525 G526 L527 Q532 T533	L525-S529 WeakPolarHBondContact O-CB 3.46Å; L525-S529 PolarHBondContact O-N 3.37Å; G526-S529 PolarHBondContact O-N 3.32Å; L527-S529 VanDerWaalsContact C-N 3.34Å; L527-S529 PolarHBondContact O-N 3.48Å; S529-Q532 PolarHBondContact O-N 3.05Å; S529-T533 WeakPolarHBondContact O-CB 3.41Å; S529-T533 PolarHBondContact O-N 3.01Å; S529-T533 PolarHBondContact O-OG1 3.05Å
530	K	73.3	Confident	70.3	Confident	136 Å²	136	61.8 Å²	61.8	59%	0.591	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-47.1	172.1	-74.4	175.2	-179.5	-176.3	0	111.4	G526 L527 T533 I534	G526-K530 WeakPolarHBondContact O-CG 3.22Å; G526-K530 PolarHBondContact O-N 3.35Å; L527-K530 PolarHBondContact O-N 3.35Å; K530-T533 WeakPolarHBondContact O-CB 3.16Å; K530-T533 PolarHBondContact O-N 2.87Å; K530-I534 WeakPolarHBondContact O-CG1 3.21Å; K530-I534 PolarHBondContact O-N 2.98Å
531	C	67.3	Low	70.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-36.4	179.7	-59.6	0	0	0	0	112.3	L527 M528 T533 I534 S535 M746 F747 I780	L527-C531 PolarHBondContact O-N 3.31Å; L527-C531 PolarHBondContact O-SG 2.93Å; M528-C531 PolarHBondContact O-N 3.41Å; C531-T533 VanDerWaalsContact C-N 3.33Å; C531-I534 PolarHBondContact O-N 2.83Å; C531-S535 VanDerWaalsContact O-CB 3.3Å; C531-S535 WeakPolarHBondContact O-CB 3.47Å; C531-S535 PolarHBondContact O-N 3.14Å; C531-M746 VanDerWaalsContact SG-CE 3.59Å; C531-F747 VanDerWaalsContact SG-CZ 3.59Å; C531-I780 HydrophobicContact CB-CG2 3.43Å; C531-I780 VanDerWaalsContact CB-CG2 3.43Å
532	Q	70.6	Confident	69.9	Low	97 Å²	97	63.3 Å²	63.3	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-37.6	171.7	-173.6	175.4	3.6	0	0	111.5	M528 S529 S535 T536 I780	M528-Q532 VanDerWaalsContact O-CB 3.26Å; M528-Q532 WeakPolarHBondContact O-CB 3.37Å; M528-Q532 PolarHBondContact O-N 3.47Å; S529-Q532 PolarHBondContact O-N 3.05Å; Q532-S535 WeakPolarHBondContact O-CB 3.27Å; Q532-S535 PolarHBondContact O-N 2.83Å; Q532-T536 PolarHBondContact O-N 3.19Å; Q532-T536 PolarHBondContact O-OG1 3.17Å; Q532-T536 VanDerWaalsContact O-OG1 3.1Å; Q532-I780 HydrophobicContact CB-CD1 4.48Å; Q532-I780 HydrophobicContact CB-CG1 4.24Å
533	T	77.6	Confident	69.6	Low	66 Å²	66	60.3 Å²	60.3	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-40.1	175.3	-60	0	0	0	0	111.8	S529 K530 C531 K537	S529-T533 WeakPolarHBondContact O-CB 3.41Å; S529-T533 PolarHBondContact O-N 3.01Å; S529-T533 PolarHBondContact O-OG1 3.05Å; K530-T533 WeakPolarHBondContact O-CB 3.16Å; K530-T533 PolarHBondContact O-N 2.87Å; C531-T533 VanDerWaalsContact C-N 3.33Å; T533-K537 HydrophobicContact CG2-CD 4.32Å; T533-K537 WeakPolarHBondContact O-CB 3.41Å; T533-K537 VanDerWaalsContact O-CG 3.25Å; T533-K537 WeakPolarHBondContact O-CG 3.22Å; T533-K537 PolarHBondContact O-N 3.37Å; T533-K537 VanDerWaalsContact O-N 3.07Å
534	I	72.2	Confident	69.3	Low	47 Å²	47	60 Å²	60	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-45.6	173.2	-63.1	163.2	0	0	0	109.9	K530 C531 K537 M538 L584 M746 F784	K530-I534 WeakPolarHBondContact O-CG1 3.21Å; K530-I534 PolarHBondContact O-N 2.98Å; C531-I534 PolarHBondContact O-N 2.83Å; I534-K537 PolarHBondContact O-N 2.88Å; I534-M538 WeakPolarHBondContact O-CB 3.42Å; I534-M538 PolarHBondContact O-N 3.39Å; I534-L584 HydrophobicContact CG2-CD1 4.19Å; I534-L584 HydrophobicContact CG2-CD2 4.29Å; I534-M746 HydrophobicContact CD1-CE 3.87Å; I534-M746 HydrophobicContact CD1-SD 3.62Å; I534-F784 HydrophobicContact CB-CZ 4.48Å; I534-F784 HydrophobicContact CG2-CE1 4.3Å; I534-F784 HydrophobicContact CG2-CZ 3.79Å
535	S	69	Low	68.8	Low	13 Å²	13	61.3 Å²	61.3	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-53.7	-55.6	175	167.8	0	0	0	0	112.1	C531 Q532 K537 M538 V539 P783	C531-S535 VanDerWaalsContact O-CB 3.3Å; C531-S535 WeakPolarHBondContact O-CB 3.47Å; C531-S535 PolarHBondContact O-N 3.14Å; Q532-S535 WeakPolarHBondContact O-CB 3.27Å; Q532-S535 PolarHBondContact O-N 2.83Å; S535-K537 PolarHBondContact O-N 3.02Å; S535-M538 PolarHBondContact O-N 3.44Å; S535-M538 VanDerWaalsContact O-N 3.15Å; S535-V539 WeakPolarHBondContact O-CG2 3.32Å; S535-V539 PolarHBondContact O-N 3.34Å; S535-P783 WeakPolarHBondContact OG-CG 2.96Å
536	T	72.6	Confident	68.1	Low	89 Å²	89	58.8 Å²	58.8	55%	0.546	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-38	179.9	-57.3	0	0	0	0	112.4	Q532 K540	Q532-T536 PolarHBondContact O-N 3.19Å; Q532-T536 PolarHBondContact O-OG1 3.17Å; Q532-T536 VanDerWaalsContact O-OG1 3.1Å; T536-K540 WeakPolarHBondContact O-CB 3.37Å; T536-K540 PolarHBondContact O-N 3.49Å
537	K	74.1	Confident	67.1	Low	142 Å²	142	64.5 Å²	64.5	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-47.1	172.4	-77.3	173.9	178.1	-178.5	0	111.4	T533 I534 S535 K540 R541	T533-K537 HydrophobicContact CG2-CD 4.32Å; T533-K537 WeakPolarHBondContact O-CB 3.41Å; T533-K537 VanDerWaalsContact O-CG 3.25Å; T533-K537 WeakPolarHBondContact O-CG 3.22Å; T533-K537 PolarHBondContact O-N 3.37Å; T533-K537 VanDerWaalsContact O-N 3.07Å; I534-K537 PolarHBondContact O-N 2.88Å; S535-K537 PolarHBondContact O-N 3.02Å; K537-K540 PolarHBondContact O-N 3.38Å; K537-R541 WeakPolarHBondContact O-CG 3.4Å; K537-R541 PolarHBondContact O-N 3.29Å
538	M	68.6	Low	66.1	Low	8 Å²	8	67.3 Å²	67.3	4%	0.039	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-47.5	-179.4	-160.3	-152.6	96.5	0	0	111.4	I534 S535 K540 R541 V542 L579 P783	I534-M538 WeakPolarHBondContact O-CB 3.42Å; I534-M538 PolarHBondContact O-N 3.39Å; S535-M538 PolarHBondContact O-N 3.44Å; S535-M538 VanDerWaalsContact O-N 3.15Å; M538-K540 PolarHBondContact O-N 2.67Å; M538-R541 PolarHBondContact O-N 3.2Å; M538-R541 VanDerWaalsContact O-N 3.17Å; M538-V542 HydrophobicContact CE-CG2 3.81Å; M538-V542 WeakPolarHBondContact O-CG2 3.36Å; M538-V542 PolarHBondContact O-N 2.86Å; M538-L579 HydrophobicContact SD-CD2 3.88Å; M538-P783 HydrophobicContact CE-CB 3.52Å; M538-P783 WeakPolarHBondContact CE-O 3.42Å; M538-P783 HydrophobicContact SD-CB 3.7Å
539	V	69.2	Low	65	Low	62 Å²	62	69.7 Å²	69.7	38%	0.376	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-46.2	176.6	171.8	0	0	0	0	110.9	S535 R541 V542 T543 P783	S535-V539 WeakPolarHBondContact O-CG2 3.32Å; S535-V539 PolarHBondContact O-N 3.34Å; V539-R541 VanDerWaalsContact C-N 3.31Å; V539-R541 PolarHBondContact O-N 3.32Å; V539-V542 WeakPolarHBondContact O-CB 3.3Å; V539-V542 PolarHBondContact O-N 3.33Å; V539-T543 PolarHBondContact O-N 3.15Å; V539-T543 PolarHBondContact O-OG1 3.44Å; V539-T543 VanDerWaalsContact O-OG1 3.12Å; V539-P783 HydrophobicContact CG2-CG 4.36Å
540	K	71.1	Confident	63.6	Low	131 Å²	131	70.2 Å²	70.2	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-41.6	176.8	-166.3	-178.1	-173.1	-103.1	0	111.9	T536 K537 M538 T543 E544	T536-K540 WeakPolarHBondContact O-CB 3.37Å; T536-K540 PolarHBondContact O-N 3.49Å; K537-K540 PolarHBondContact O-N 3.38Å; M538-K540 PolarHBondContact O-N 2.67Å; K540-T543 PolarHBondContact O-N 3.33Å; K540-E544 WeakPolarHBondContact CE-OE1 3.07Å; K540-E544 IonicContact NZ-OE1 3.23Å; K540-E544 PolarHBondContact NZ-OE1 3.01Å; K540-E544 WeakPolarHBondContact O-CG 3.38Å; K540-E544 PolarHBondContact O-N 3.39Å
541	R	63.9	Low	62.2	Low	131 Å²	131	66.8 Å²	66.8	49%	0.494	37%	0.373	S	S	.	.	H	α-helix	trans	-68.9	-35.7	175.8	-69.3	-52.6	-156.9	174.2	9.7	113.2	K537 M538 V539 T543 E544 V545	K537-R541 WeakPolarHBondContact O-CG 3.4Å; K537-R541 PolarHBondContact O-N 3.29Å; M538-R541 PolarHBondContact O-N 3.2Å; M538-R541 VanDerWaalsContact O-N 3.17Å; V539-R541 VanDerWaalsContact C-N 3.31Å; V539-R541 PolarHBondContact O-N 3.32Å; R541-T543 VanDerWaalsContact C-N 3.33Å; R541-T543 PolarHBondContact O-N 2.98Å; R541-E544 WeakPolarHBondContact CD-OE2 3.11Å; R541-E544 IonicContact CZ-OE2 3.77Å; R541-E544 IonicContact NE-OE2 2.6Å; R541-E544 IonicContact NH1-OE2 2.68Å; R541-E544 PolarHBondContact NH1-OE2 3.13Å; R541-E544 PolarHBondContact O-N 3.07Å; R541-V545 VanDerWaalsContact O-CB 3.27Å; R541-V545 WeakPolarHBondContact O-CB 3.4Å; R541-V545 WeakPolarHBondContact O-CG2 3.38Å; R541-V545 PolarHBondContact O-N 3Å
542	V	62.1	Low	61.2	Low	20 Å²	20	71.4 Å²	71.4	12%	0.121	41%	0.406	C	S	.	.	H	α-helix	trans	-56	-50.4	170.6	169.4	0	0	0	0	109.7	M538 V539 V545 M546 L578	M538-V542 HydrophobicContact CE-CG2 3.81Å; M538-V542 WeakPolarHBondContact O-CG2 3.36Å; M538-V542 PolarHBondContact O-N 2.86Å; V539-V542 WeakPolarHBondContact O-CB 3.3Å; V539-V542 PolarHBondContact O-N 3.33Å; V542-V545 PolarHBondContact O-N 3.39Å; V542-M546 HydrophobicContact CG1-SD 3.63Å; V542-M546 WeakPolarHBondContact O-CB 3.36Å; V542-M546 VanDerWaalsContact O-CG 3.28Å; V542-M546 WeakPolarHBondContact O-CG 3.21Å; V542-M546 PolarHBondContact O-N 3.13Å; V542-L578 HydrophobicContact CB-CD2 4.37Å; V542-L578 HydrophobicContact CG2-CD2 3.38Å
543	T	64.3	Low	60.5	Low	46 Å²	46	68.7 Å²	68.7	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-49.1	178.5	-44.2	0	0	0	0	111.6	V539 K540 R541 V545 M546 E547	V539-T543 PolarHBondContact O-N 3.15Å; V539-T543 PolarHBondContact O-OG1 3.44Å; V539-T543 VanDerWaalsContact O-OG1 3.12Å; K540-T543 PolarHBondContact O-N 3.33Å; R541-T543 VanDerWaalsContact C-N 3.33Å; R541-T543 PolarHBondContact O-N 2.98Å; T543-V545 VanDerWaalsContact C-N 3.31Å; T543-V545 PolarHBondContact O-N 3.41Å; T543-M546 PolarHBondContact O-N 2.85Å; T543-M546 VanDerWaalsContact O-N 3.08Å; T543-E547 HydrophobicContact CG2-CG 4.28Å; T543-E547 WeakPolarHBondContact O-CB 3.17Å; T543-E547 WeakPolarHBondContact O-CG 3.38Å; T543-E547 PolarHBondContact O-N 3.34Å
544	E	62.4	Low	60	Low	52 Å²	52	73.7 Å²	73.7	24%	0.243	41%	0.412	C	S	.	.	H	α-helix	trans	-59	-37.8	177.5	-72.3	170.9	-169.3	0	0	112.7	K540 R541 M546 S548	K540-E544 WeakPolarHBondContact CE-OE1 3.07Å; K540-E544 IonicContact NZ-OE1 3.23Å; K540-E544 PolarHBondContact NZ-OE1 3.01Å; K540-E544 WeakPolarHBondContact O-CG 3.38Å; K540-E544 PolarHBondContact O-N 3.39Å; R541-E544 WeakPolarHBondContact CD-OE2 3.11Å; R541-E544 IonicContact CZ-OE2 3.77Å; R541-E544 IonicContact NE-OE2 2.6Å; R541-E544 IonicContact NH1-OE2 2.68Å; R541-E544 PolarHBondContact NH1-OE2 3.13Å; R541-E544 PolarHBondContact O-N 3.07Å; E544-M546 VanDerWaalsContact C-N 3.34Å; E544-S548 WeakPolarHBondContact O-CB 3.43Å; E544-S548 PolarHBondContact O-N 3.34Å; E544-S548 PolarHBondContact O-OG 3.02Å
545	V	57.7	Low	60.5	Low	39 Å²	39	73.8 Å²	73.8	24%	0.236	41%	0.411	C	S	.	.	H	α-helix	trans	-73.9	-24.3	177.7	168.7	0	0	0	0	112.6	R541 V542 T543 S548 T550 L578	R541-V545 VanDerWaalsContact O-CB 3.27Å; R541-V545 WeakPolarHBondContact O-CB 3.4Å; R541-V545 WeakPolarHBondContact O-CG2 3.38Å; R541-V545 PolarHBondContact O-N 3Å; V542-V545 PolarHBondContact O-N 3.39Å; T543-V545 VanDerWaalsContact C-N 3.31Å; T543-V545 PolarHBondContact O-N 3.41Å; V545-S548 WeakPolarHBondContact CA-OG 3.22Å; V545-T550 PolarHBondContact O-OG1 3.06Å; V545-L578 HydrophobicContact CG2-CD1 4.48Å
546	M	51.4	Low	61.1	Low	31 Å²	31	73.4 Å²	73.4	15%	0.153	41%	0.408	C	S	.	.	H	α-helix	trans	-81.1	-43.5	172	-72.3	168.4	52.9	0	0	112	V542 T543 E544 L1083 L1084	V542-M546 HydrophobicContact CG1-SD 3.63Å; V542-M546 WeakPolarHBondContact O-CB 3.36Å; V542-M546 VanDerWaalsContact O-CG 3.28Å; V542-M546 WeakPolarHBondContact O-CG 3.21Å; V542-M546 PolarHBondContact O-N 3.13Å; T543-M546 PolarHBondContact O-N 2.85Å; T543-M546 VanDerWaalsContact O-N 3.08Å; E544-M546 VanDerWaalsContact C-N 3.34Å; M546-L1083 HydrophobicContact CE-CB 3.47Å; M546-L1083 VanDerWaalsContact CE-CB 3.47Å; M546-L1084 HydrophobicContact CE-CB 4.32Å; M546-L1084 HydrophobicContact CE-CD2 3.91Å; M546-L1084 HydrophobicContact CE-CG 3.73Å; M546-L1084 HydrophobicContact CG-CD2 4.42Å; M546-L1084 HydrophobicContact SD-CD2 3.83Å; M546-L1084 HydrophobicContact SD-CG 4.02Å
547	E	50.4	Low	61.5	Low	154 Å²	154	73.8 Å²	73.8	72%	0.72	42%	0.415	S	S	*	.	H	α-helix	trans	-67.1	-39.1	177.3	-72.3	175.9	173.3	0	0	112.8	T543 G549	T543-E547 HydrophobicContact CG2-CG 4.28Å; T543-E547 WeakPolarHBondContact O-CB 3.17Å; T543-E547 WeakPolarHBondContact O-CG 3.38Å; T543-E547 PolarHBondContact O-N 3.34Å; E547-G549 PolarHBondContact O-N 3.45Å; E547-G549 VanDerWaalsContact O-N 3.12Å
548	S	47.5	Very low	61.9	Low	77 Å²	77	69.3 Å²	69.3	54%	0.538	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	0.9	-178.7	56	0	0	0	0	114.9	E544 V545 T550	E544-S548 WeakPolarHBondContact O-CB 3.43Å; E544-S548 PolarHBondContact O-N 3.34Å; E544-S548 PolarHBondContact O-OG 3.02Å; V545-S548 WeakPolarHBondContact CA-OG 3.22Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 3.33Å
549	G	46.6	Very low	62.7	Low	58 Å²	58	69.1 Å²	69.1	60%	0.598	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	35	169.5	0	0	0	0	0	114.3	E547 G551	E547-G549 PolarHBondContact O-N 3.45Å; E547-G549 VanDerWaalsContact O-N 3.12Å; G549-G551 WeakPolarHBondContact O-CA 3.49Å; G549-G551 PolarHBondContact O-N 3.13Å
550	T	43.3	Very low	63.4	Low	76 Å²	76	68.3 Å²	68.3	47%	0.466	39%	0.39	S	S	.	.			trans	-64.7	86	170.5	48.4	0	0	0	0	109.7	V545 S548 K574	V545-T550 PolarHBondContact O-OG1 3.06Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 3.33Å; T550-K574 PolarHBondContact O-NZ 3.06Å; T550-K574 VanDerWaalsContact O-NZ 3.12Å; T550-K574 PolarHBondContact OG1-NZ 3.32Å
551	G	44.2	Very low	63.6	Low	63 Å²	63	67.1 Å²	67.1	65%	0.649	40%	0.398	S	S	*	.			trans	-75.5	150.7	-151.9	0	0	0	0	0	115.5	G549 T553	G549-G551 WeakPolarHBondContact O-CA 3.49Å; G549-G551 PolarHBondContact O-N 3.13Å; G551-T553 PolarHBondContact O-N 3.06Å
552	S	47.4	Very low	64.4	Low	97 Å²	97	69.1 Å²	69.1	68%	0.678	41%	0.413	S	S	*	.			trans	35	79.3	165.8	-165.1	0	0	0	0	114	K554	S552-K554 PolarHBondContact O-N 3.27Å
553	T	54.4	Low	65.4	Low	40 Å²	40	70.3 Å²	70.3	25%	0.245	42%	0.419	C	S	.	.			trans	-54.8	103.4	175.4	-33.6	0	0	0	0	109.3	G551	G551-T553 PolarHBondContact O-N 3.06Å
554	K	68.1	Low	66.4	Low	171 Å²	171	75.8 Å²	75.8	74%	0.743	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-71.6	149.9	176.2	-67.3	-179.4	-177.9	175.4	0	108.6	S552	S552-K554 PolarHBondContact O-N 3.27Å
555	Q	81.6	Confident	67.5	Low	50 Å²	50	74 Å²	74	23%	0.234	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-59.8	137.9	168.3	-179.6	171.6	-47	0	0	109.4	S557 L559 L563 L565	Q555-S557 PolarHBondContact O-N 3.37Å; Q555-L559 HydrophobicContact CG-CB 4.25Å; Q555-L559 HydrophobicContact CG-CD1 3.73Å; Q555-L563 PolarHBondContact NE2-O 3.46Å; Q555-L563 PolarHBondContact OE1-O 2.85Å; Q555-L565 HydrophobicContact CB-CD1 4.46Å; Q555-L565 HydrophobicContact CG-CD1 3.92Å; Q555-L565 HydrophobicContact CG-CG 4.09Å
556	P	81.2	Confident	68.8	Low	4 Å²	4	76 Å²	76	3%	0.026	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-50	134.5	173.8	-22.7	24.7	0	0	0	111.2	L558 L559 L573 A605 Q606	P556-L558 VanDerWaalsContact C-N 3.25Å; P556-L558 PolarHBondContact O-N 2.97Å; P556-L559 HydrophobicContact CB-CD1 4.22Å; P556-L559 HydrophobicContact CB-CG 4.16Å; P556-L559 HydrophobicContact CG-CD1 3.96Å; P556-L559 HydrophobicContact CG-CG 4.41Å; P556-L559 WeakPolarHBondContact O-CB 3.09Å; P556-L559 PolarHBondContact O-N 3.15Å; P556-L559 VanDerWaalsContact O-N 3.14Å; P556-L573 HydrophobicContact CG-CD2 4.02Å; P556-A605 HydrophobicContact CB-CB 4.27Å; P556-Q606 HydrophobicContact CG-CB 4.09Å
557	S	82.2	Confident	70.3	Confident	97 Å²	97	78.2 Å²	78.2	68%	0.678	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.6	-178	69.7	0	0	0	0	113.6	Q555 L559 E609	Q555-S557 PolarHBondContact O-N 3.37Å; S557-L559 PolarHBondContact O-N 3.06Å; S557-E609 VanDerWaalsContact CA-OE1 3.29Å; S557-E609 WeakPolarHBondContact CA-OE1 3.45Å; S557-E609 WeakPolarHBondContact CB-OE1 3.41Å; S557-E609 PolarHBondContact N-OE1 3Å; S557-E609 PolarHBondContact OG-OE1 3.23Å
558	L	82.4	Confident	71.9	Confident	49 Å²	49	71.5 Å²	71.5	26%	0.257	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.5	172.5	-101.4	63	0	0	0	114.3	P556 A605 Y608 E609 A638	P556-L558 VanDerWaalsContact C-N 3.25Å; P556-L558 PolarHBondContact O-N 2.97Å; L558-A605 HydrophobicContact CB-CB 4.41Å; L558-Y608 HydrophobicContact CD2-CD1 3.37Å; L558-Y608 HydrophobicContact CD2-CE1 3.99Å; L558-Y608 HydrophobicContact CD2-CG 4.03Å; L558-E609 HydrophobicContact CB-CG 4.48Å; L558-E609 HydrophobicContact CD1-CG 3.91Å; L558-E609 HydrophobicContact CD2-CG 4.34Å; L558-E609 HydrophobicContact CG-CG 4.47Å; L558-E609 PolarHBondContact N-OE1 2.9Å; L558-A638 HydrophobicContact CD2-CB 4.36Å; L558-A638 HydrophobicContact CG-CB 4.28Å
559	L	85.4	Confident	73.8	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.021	40%	0.4	C	S	.	.	S	Bend	trans	-78.2	141.8	175.8	-66.2	175.8	0	0	0	111.2	Q555 P556 S557 S561 L565 I601 A602 A605 W635 C636	Q555-L559 HydrophobicContact CG-CB 4.25Å; Q555-L559 HydrophobicContact CG-CD1 3.73Å; P556-L559 HydrophobicContact CB-CD1 4.22Å; P556-L559 HydrophobicContact CB-CG 4.16Å; P556-L559 HydrophobicContact CG-CD1 3.96Å; P556-L559 HydrophobicContact CG-CG 4.41Å; P556-L559 WeakPolarHBondContact O-CB 3.09Å; P556-L559 PolarHBondContact O-N 3.15Å; P556-L559 VanDerWaalsContact O-N 3.14Å; S557-L559 PolarHBondContact O-N 3.06Å; L559-S561 PolarHBondContact O-N 2.92Å; L559-L565 HydrophobicContact CD1-CD1 4.07Å; L559-L565 HydrophobicContact CD1-CG 4.46Å; L559-I601 HydrophobicContact CD2-CG2 4.31Å; L559-A602 HydrophobicContact CD1-CB 3.78Å; L559-A605 HydrophobicContact CD2-CB 3.9Å; L559-A605 HydrophobicContact CG-CB 4.15Å; L559-W635 CarbonylContact C-O 3.6Å; L559-W635 VanDerWaalsContact CA-O 3.3Å; L559-W635 WeakPolarHBondContact CA-O 3.43Å; L559-W635 HydrophobicContact CD2-CB 4.34Å; L559-W635 WeakPolarHBondContact CD2-O 3.25Å; L559-C636 HydrophobicContact CD2-CB 3.93Å
560	N	83.3	Confident	75.6	Confident	44 Å²	44	67.3 Å²	67.3	24%	0.235	38%	0.381	C	S	.	.			trans	-49.1	113.3	178.3	179.3	-10	0	0	0	111.2	Q562 L563 L634 W635	N560-Q562 PolarHBondContact O-N 3.2Å; N560-Q562 PolarHBondContact OD1-N 3.27Å; N560-L563 HydrophobicContact CB-CD1 4.27Å; N560-L563 HydrophobicContact CB-CG 4.49Å; N560-L563 PolarHBondContact O-N 3.01Å; N560-L634 WeakPolarHBondContact CB-O 3.49Å; N560-L634 PolarHBondContact ND2-O 3.32Å; N560-W635 PolarHBondContact N-O 3.35Å
561	S	75.8	Confident	77.5	Confident	107 Å²	107	65.7 Å²	65.7	75%	0.748	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.9	-170	-39.1	0	0	0	0	114.6	L559 L563	L559-S561 PolarHBondContact O-N 2.92Å; S561-L563 VanDerWaalsContact C-N 3.35Å
562	Q	80.2	Confident	79.5	Confident	173 Å²	173	62.7 Å²	62.7	81%	0.808	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-18	172.1	-61.1	-177	-8.6	0	0	112.9	N560	N560-Q562 PolarHBondContact O-N 3.2Å; N560-Q562 PolarHBondContact OD1-N 3.27Å
563	L	83.9	Confident	81.5	Confident	45 Å²	45	58.1 Å²	58.1	24%	0.236	31%	0.306	C	S	.	.	S	Bend	trans	-109.7	135.6	-175.5	-57.3	176.7	0	0	0	109.7	Q555 N560 S561 L634 W635	Q555-L563 PolarHBondContact NE2-O 3.46Å; Q555-L563 PolarHBondContact OE1-O 2.85Å; N560-L563 HydrophobicContact CB-CD1 4.27Å; N560-L563 HydrophobicContact CB-CG 4.49Å; N560-L563 PolarHBondContact O-N 3.01Å; S561-L563 VanDerWaalsContact C-N 3.35Å; L563-L634 HydrophobicContact CD1-CD1 4.12Å; L563-L634 HydrophobicContact CD1-CD2 4.41Å; L563-L634 HydrophobicContact CD1-CG 3.81Å; L563-W635 HydrophobicContact CB-CD2 4.35Å; L563-W635 HydrophobicContact CB-CE3 3.85Å; L563-W635 HydrophobicContact CB-CH2 3.78Å; L563-W635 HydrophobicContact CB-CZ2 4.27Å; L563-W635 HydrophobicContact CB-CZ3 3.56Å; L563-W635 HydrophobicContact CD1-CD2 3.81Å; L563-W635 HydrophobicContact CD1-CE3 4.13Å; L563-W635 HydrophobicContact CD1-CG 4.16Å; L563-W635 HydrophobicContact CD1-CZ2 4.29Å
564	Q	85.3	Confident	82.9	Confident	160 Å²	160	59.1 Å²	59.1	75%	0.748	31%	0.307	S	S	*	.			trans	-121.1	129.2	-176.2	-68.7	-173.3	-3.2	0	0	112.4
565	L	86.1	Confident	83.8	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	28%	0.277	C	S	.	.			trans	-66.2	137.3	171.4	-63.7	178.8	0	0	0	110.7	Q555 L559 Q569 L570 L573 I598 A602 W635	Q555-L565 HydrophobicContact CB-CD1 4.46Å; Q555-L565 HydrophobicContact CG-CD1 3.92Å; Q555-L565 HydrophobicContact CG-CG 4.09Å; L559-L565 HydrophobicContact CD1-CD1 4.07Å; L559-L565 HydrophobicContact CD1-CG 4.46Å; L565-Q569 HydrophobicContact CB-CB 4.36Å; L565-Q569 HydrophobicContact CD2-CB 4.49Å; L565-L570 HydrophobicContact CB-CD2 3.91Å; L565-L570 HydrophobicContact CB-CG 4.02Å; L565-L570 HydrophobicContact CD1-CD2 3.7Å; L565-L570 HydrophobicContact CG-CD2 4.44Å; L565-L573 HydrophobicContact CD1-CD2 4.32Å; L565-I598 HydrophobicContact CD2-CG2 3.46Å; L565-I598 VanDerWaalsContact CD2-CG2 3.46Å; L565-A602 HydrophobicContact CD1-CB 3.87Å; L565-A602 HydrophobicContact CD2-CB 4.35Å; L565-W635 HydrophobicContact CD2-CH2 4.44Å; L565-W635 HydrophobicContact CD2-CZ3 3.93Å
566	K	84.8	Confident	84.2	Confident	82 Å²	82	50.3 Å²	50.3	36%	0.357	27%	0.267	S	S	.	.			trans	-72.2	154.2	173.5	-61.4	-63	-176.8	177.7	0	110.6	Y568 Q569 L570	K566-Y568 VanDerWaalsContact C-N 3.28Å; K566-Y568 HydrophobicContact CB-CD1 3.78Å; K566-Y568 HydrophobicContact CB-CE1 3.47Å; K566-Y568 VanDerWaalsContact CB-CE1 3.47Å; K566-Y568 HydrophobicContact CG-CE1 4.01Å; K566-Y568 PolarHBondContact O-N 2.89Å; K566-Y568 VanDerWaalsContact O-N 3.15Å; K566-Q569 HydrophobicContact CB-CG 4.21Å; K566-Q569 WeakPolarHBondContact O-CA 3.3Å; K566-Q569 WeakPolarHBondContact O-CB 3.25Å; K566-Q569 PolarHBondContact O-N 3.42Å; K566-L570 PolarHBondContact O-N 2.84Å; K566-L570 VanDerWaalsContact O-N 3.14Å
567	P	82.4	Confident	84.4	Confident	77 Å²	77	51.9 Å²	51.9	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-53.5	-39.5	-177.6	-29.6	36.2	0	0	0	114.5	Q569 L570 I571 L1090	P567-Q569 VanDerWaalsContact C-N 3.32Å; P567-Q569 PolarHBondContact O-N 3.33Å; P567-L570 PolarHBondContact O-N 2.93Å; P567-I571 WeakPolarHBondContact O-CG1 3.45Å; P567-I571 PolarHBondContact O-N 2.83Å; P567-I571 VanDerWaalsContact O-N 3.12Å; P567-L1090 HydrophobicContact CB-CD1 4.36Å
568	Y	83.3	Confident	84.5	Confident	13 Å²	13	48 Å²	48	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-31.2	175.5	73.4	-92.3	0	0	0	112.8	K566 I571 G572 L594 R788 V793 L794	K566-Y568 VanDerWaalsContact C-N 3.28Å; K566-Y568 HydrophobicContact CB-CD1 3.78Å; K566-Y568 HydrophobicContact CB-CE1 3.47Å; K566-Y568 VanDerWaalsContact CB-CE1 3.47Å; K566-Y568 HydrophobicContact CG-CE1 4.01Å; K566-Y568 PolarHBondContact O-N 2.89Å; K566-Y568 VanDerWaalsContact O-N 3.15Å; Y568-I571 PolarHBondContact O-N 3.02Å; Y568-G572 PolarHBondContact O-N 3.14Å; Y568-L594 HydrophobicContact CE2-CB 4.05Å; Y568-L594 HydrophobicContact CE2-CD2 4.39Å; Y568-L594 VanDerWaalsContact CE2-O 3.32Å; Y568-L594 WeakPolarHBondContact CE2-O 3.49Å; Y568-L594 PolarHBondContact OH-O 3.42Å; Y568-R788 PolarHBondContact O-NH1 3.1Å; Y568-V793 HydrophobicContact CD1-CB 3.82Å; Y568-V793 HydrophobicContact CD1-CG2 4.24Å; Y568-V793 HydrophobicContact CD2-CB 4.37Å; Y568-V793 HydrophobicContact CD2-CG2 4.34Å; Y568-V793 HydrophobicContact CE1-CB 4.45Å; Y568-V793 HydrophobicContact CE1-CG2 4.44Å; Y568-V793 HydrophobicContact CG-CB 3.78Å; Y568-V793 HydrophobicContact CG-CG1 4.06Å; Y568-V793 HydrophobicContact CG-CG2 4.2Å; Y568-L794 HydrophobicContact CE1-CD2 3.84Å; Y568-L794 HydrophobicContact CE1-CG 4.13Å
569	Q	87.4	Confident	84.7	Confident	9 Å²	9	46 Å²	46	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-35.6	176.1	-61.5	174.9	-37.9	0	0	111	L565 K566 P567 G572 L573 L594 Q599	L565-Q569 HydrophobicContact CB-CB 4.36Å; L565-Q569 HydrophobicContact CD2-CB 4.49Å; K566-Q569 HydrophobicContact CB-CG 4.21Å; K566-Q569 WeakPolarHBondContact O-CA 3.3Å; K566-Q569 WeakPolarHBondContact O-CB 3.25Å; K566-Q569 PolarHBondContact O-N 3.42Å; P567-Q569 VanDerWaalsContact C-N 3.32Å; P567-Q569 PolarHBondContact O-N 3.33Å; Q569-G572 PolarHBondContact O-N 3.11Å; Q569-L573 WeakPolarHBondContact O-CB 3.38Å; Q569-L573 PolarHBondContact O-N 3.25Å; Q569-L594 PolarHBondContact NE2-O 3.11Å; Q569-L594 VanDerWaalsContact NE2-O 3.11Å; Q569-Q599 HydrophobicContact CB-CG 3.8Å; Q569-Q599 HydrophobicContact CG-CG 3.97Å
570	L	85.4	Confident	84.8	Confident	39 Å²	39	47.2 Å²	47.2	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-37.1	171.9	-65.7	170.8	0	0	0	112.5	L565 K566 P567 L573 K574	L565-L570 HydrophobicContact CB-CD2 3.91Å; L565-L570 HydrophobicContact CB-CG 4.02Å; L565-L570 HydrophobicContact CD1-CD2 3.7Å; L565-L570 HydrophobicContact CG-CD2 4.44Å; K566-L570 PolarHBondContact O-N 2.84Å; K566-L570 VanDerWaalsContact O-N 3.14Å; P567-L570 PolarHBondContact O-N 2.93Å; L570-L573 PolarHBondContact O-N 2.97Å; L570-K574 PolarHBondContact O-N 3.5Å
571	I	82.3	Confident	84.9	Confident	42 Å²	42	51 Å²	51	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-43.3	171.5	-67.8	169.9	0	0	0	110.7	P567 Y568 K574 W575 L1084 L1088	P567-I571 WeakPolarHBondContact O-CG1 3.45Å; P567-I571 PolarHBondContact O-N 2.83Å; P567-I571 VanDerWaalsContact O-N 3.12Å; Y568-I571 PolarHBondContact O-N 3.02Å; I571-K574 PolarHBondContact O-N 2.89Å; I571-W575 PolarHBondContact O-N 3.39Å; I571-L1084 HydrophobicContact CG2-CD1 3.82Å; I571-L1084 HydrophobicContact CG2-CD2 4.33Å; I571-L1088 HydrophobicContact CD1-CD1 3.86Å; I571-L1088 HydrophobicContact CG1-CD1 3.9Å
572	G	86.8	Confident	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-39.6	177	0	0	0	0	0	112.8	Y568 Q569 W575 L576	Y568-G572 PolarHBondContact O-N 3.14Å; Q569-G572 PolarHBondContact O-N 3.11Å; G572-W575 PolarHBondContact O-N 3.43Å; G572-L576 WeakPolarHBondContact O-CG 3.44Å; G572-L576 PolarHBondContact O-N 3.09Å
573	L	88.8	Confident	85.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-48.1	172.6	179.5	60.5	0	0	0	111.7	P556 L565 Q569 L570 W575 L576 M577 A602 F603 Q606	P556-L573 HydrophobicContact CG-CD2 4.02Å; L565-L573 HydrophobicContact CD1-CD2 4.32Å; Q569-L573 WeakPolarHBondContact O-CB 3.38Å; Q569-L573 PolarHBondContact O-N 3.25Å; L570-L573 PolarHBondContact O-N 2.97Å; L573-W575 VanDerWaalsContact C-N 3.3Å; L573-W575 PolarHBondContact O-N 3.4Å; L573-L576 PolarHBondContact O-N 3.22Å; L573-M577 HydrophobicContact CG-SD 4.43Å; L573-M577 WeakPolarHBondContact O-CG 3.49Å; L573-M577 PolarHBondContact O-N 3.19Å; L573-A602 HydrophobicContact CD1-CB 4.3Å; L573-A602 HydrophobicContact CD2-CB 4.29Å; L573-F603 VanDerWaalsContact CD1-CA 3.5Å; L573-F603 HydrophobicContact CD1-CB 3.93Å; L573-F603 HydrophobicContact CD1-CD2 4.41Å; L573-Q606 HydrophobicContact CD1-CB 4.43Å
574	K	84.6	Confident	85.3	Confident	61 Å²	61	47.4 Å²	47.4	27%	0.265	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-36.4	177.6	-170	171.1	-175	173.7	0	112.2	T550 L570 I571 M577 L578	T550-K574 PolarHBondContact O-NZ 3.06Å; T550-K574 VanDerWaalsContact O-NZ 3.12Å; T550-K574 PolarHBondContact OG1-NZ 3.32Å; L570-K574 PolarHBondContact O-N 3.5Å; I571-K574 PolarHBondContact O-N 2.89Å; K574-M577 PolarHBondContact O-N 3.41Å; K574-L578 PolarHBondContact O-N 3.29Å; K574-L578 VanDerWaalsContact O-N 3.08Å
575	W	86.6	Confident	85.6	Confident	32 Å²	32	40.3 Å²	40.3	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-43.6	173.7	176.3	79.5	0	0	0	112.4	I571 G572 L573 M577 L578 L579 I587 P783 L786	I571-W575 PolarHBondContact O-N 3.39Å; G572-W575 PolarHBondContact O-N 3.43Å; L573-W575 VanDerWaalsContact C-N 3.3Å; L573-W575 PolarHBondContact O-N 3.4Å; W575-M577 PolarHBondContact O-N 2.97Å; W575-L578 PolarHBondContact O-N 2.95Å; W575-L579 HydrophobicContact CD2-CD1 4.19Å; W575-L579 HydrophobicContact CE3-CD1 4.22Å; W575-L579 HydrophobicContact CH2-CD1 3.73Å; W575-L579 HydrophobicContact CZ2-CD1 3.69Å; W575-L579 HydrophobicContact CZ3-CD1 4Å; W575-L579 PolarHBondContact O-N 2.99Å; W575-L579 VanDerWaalsContact O-N 3.14Å; W575-I587 VanDerWaalsContact CH2-O 3.3Å; W575-I587 WeakPolarHBondContact CH2-O 3.43Å; W575-P783 WeakPolarHBondContact CZ2-O 3.42Å; W575-P783 PolarHBondContact NE1-O 3.03Å; W575-L786 HydrophobicContact CB-CD2 4.25Å; W575-L786 HydrophobicContact CD2-CB 3.92Å; W575-L786 HydrophobicContact CD2-CD2 3.94Å; W575-L786 HydrophobicContact CE3-CB 3.77Å; W575-L786 HydrophobicContact CE3-CD2 3.74Å; W575-L786 HydrophobicContact CE3-CG 4.42Å; W575-L786 HydrophobicContact CG-CD2 4.18Å; W575-L786 HydrophobicContact CH2-CB 3.79Å; W575-L786 HydrophobicContact CZ2-CB 3.9Å; W575-L786 HydrophobicContact CZ3-CB 3.71Å; W575-L786 HydrophobicContact CZ3-CD2 4.4Å
576	L	89.7	Confident	85.7	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-38.5	174.6	-68.9	172.7	0	0	0	112.6	G572 L573 L579 N580 F603 L721	G572-L576 WeakPolarHBondContact O-CG 3.44Å; G572-L576 PolarHBondContact O-N 3.09Å; L573-L576 PolarHBondContact O-N 3.22Å; L576-L579 PolarHBondContact O-N 3.41Å; L576-N580 PolarHBondContact O-N 3.2Å; L576-N580 VanDerWaalsContact O-N 3.11Å; L576-F603 HydrophobicContact CB-CD2 3.54Å; L576-F603 HydrophobicContact CB-CE2 3.81Å; L576-F603 HydrophobicContact CB-CG 3.98Å; L576-F603 HydrophobicContact CB-CZ 4.45Å; L576-F603 HydrophobicContact CD1-CB 3.91Å; L576-F603 HydrophobicContact CD1-CD2 4.45Å; L576-F603 HydrophobicContact CD1-CG 4.06Å; L576-F603 WeakPolarHBondContact O-CE2 3.2Å; L576-L721 HydrophobicContact CD1-CD2 4.49Å; L576-L721 HydrophobicContact CD2-CD1 3.68Å; L576-L721 HydrophobicContact CD2-CD2 4.16Å
577	M	86.4	Confident	85.9	Confident	38 Å²	38	36 Å²	36	19%	0.187	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-45	174	-69.7	176.3	74	0	0	112.2	L573 K574 W575 L579 N580 E581 Q606	L573-M577 HydrophobicContact CG-SD 4.43Å; L573-M577 WeakPolarHBondContact O-CG 3.49Å; L573-M577 PolarHBondContact O-N 3.19Å; K574-M577 PolarHBondContact O-N 3.41Å; W575-M577 PolarHBondContact O-N 2.97Å; M577-L579 VanDerWaalsContact C-N 3.3Å; M577-L579 PolarHBondContact O-N 3.14Å; M577-N580 WeakPolarHBondContact O-CB 3.28Å; M577-N580 PolarHBondContact O-N 3Å; M577-N580 VanDerWaalsContact O-N 3.1Å; M577-E581 WeakPolarHBondContact O-CG 3.35Å; M577-E581 PolarHBondContact O-N 2.93Å; M577-Q606 HydrophobicContact CE-CG 3.74Å; M577-Q606 HydrophobicContact CG-CG 4.31Å; M577-Q606 HydrophobicContact SD-CG 3.79Å
578	L	83.9	Confident	86.3	Confident	16 Å²	16	32.3 Å²	32.3	8%	0.084	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-34.5	179	-173.2	68.9	0	0	0	112.4	V542 V545 K574 W575 H582	V542-L578 HydrophobicContact CB-CD2 4.37Å; V542-L578 HydrophobicContact CG2-CD2 3.38Å; V545-L578 HydrophobicContact CG2-CD1 4.48Å; K574-L578 PolarHBondContact O-N 3.29Å; K574-L578 VanDerWaalsContact O-N 3.08Å; W575-L578 PolarHBondContact O-N 2.95Å; L578-H582 PolarHBondContact O-N 3.33Å
579	L	85.9	Confident	86.5	Confident	6 Å²	6	32 Å²	32	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-45	171.1	-69	176.9	0	0	0	111.3	M538 W575 L576 M577 H582 K583 L584	M538-L579 HydrophobicContact SD-CD2 3.88Å; W575-L579 HydrophobicContact CD2-CD1 4.19Å; W575-L579 HydrophobicContact CE3-CD1 4.22Å; W575-L579 HydrophobicContact CH2-CD1 3.73Å; W575-L579 HydrophobicContact CZ2-CD1 3.69Å; W575-L579 HydrophobicContact CZ3-CD1 4Å; W575-L579 PolarHBondContact O-N 2.99Å; W575-L579 VanDerWaalsContact O-N 3.14Å; L576-L579 PolarHBondContact O-N 3.41Å; M577-L579 VanDerWaalsContact C-N 3.3Å; M577-L579 PolarHBondContact O-N 3.14Å; L579-H582 CarbonylContact O-C 3.59Å; L579-H582 PolarHBondContact O-N 2.9Å; L579-K583 PolarHBondContact O-N 3.03Å; L579-L584 HydrophobicContact CB-CB 4.32Å; L579-L584 HydrophobicContact CD2-CB 3.88Å; L579-L584 HydrophobicContact CD2-CD1 4.22Å; L579-L584 PolarHBondContact O-N 3.44Å
580	N	87.4	Confident	86.4	Confident	29 Å²	29	31.6 Å²	31.6	16%	0.155	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-44.9	175.7	176.2	85	0	0	0	112.6	L576 M577 H582 K583 F603 L607 Y692	L576-N580 PolarHBondContact O-N 3.2Å; L576-N580 VanDerWaalsContact O-N 3.11Å; M577-N580 WeakPolarHBondContact O-CB 3.28Å; M577-N580 PolarHBondContact O-N 3Å; M577-N580 VanDerWaalsContact O-N 3.1Å; N580-H582 PolarHBondContact O-N 2.7Å; N580-K583 PolarHBondContact O-N 2.63Å; N580-F603 HydrophobicContact CB-CE2 4.17Å; N580-F603 HydrophobicContact CB-CZ 4.11Å; N580-L607 HydrophobicContact CB-CD2 4.41Å; N580-L607 WeakPolarHBondContact OD1-CD2 3.37Å; N580-Y692 WeakPolarHBondContact CA-OH 3.36Å; N580-Y692 WeakPolarHBondContact CB-OH 3.41Å; N580-Y692 WeakPolarHBondContact OD1-CE2 3.3Å; N580-Y692 PolarHBondContact OD1-OH 2.6Å
581	E	85.2	Confident	86.3	Confident	123 Å²	123	32.2 Å²	32.2	58%	0.575	15%	0.152	S	C	*	.	H	α-helix	trans	-57.7	-33	176.1	-73.4	171.6	-160.9	0	0	112.7	M577	M577-E581 WeakPolarHBondContact O-CG 3.35Å; M577-E581 PolarHBondContact O-N 2.93Å
582	H	80.2	Confident	86.3	Confident	79 Å²	79	31 Å²	31	37%	0.366	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.4	175.6	-70.3	-31.6	0	0	0	114.6	L578 L579 N580 L584	L578-H582 PolarHBondContact O-N 3.33Å; L579-H582 CarbonylContact O-C 3.59Å; L579-H582 PolarHBondContact O-N 2.9Å; N580-H582 PolarHBondContact O-N 2.7Å; H582-L584 HydrophobicContact CB-CD1 3.92Å; H582-L584 HydrophobicContact CB-CG 3.98Å; H582-L584 PolarHBondContact O-N 2.87Å
583	K	84.7	Confident	85.8	Confident	147 Å²	147	32 Å²	32	64%	0.639	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	34.6	-177.4	-62.2	-168.7	177	-164.3	0	113.7	L579 N580 H719	L579-K583 PolarHBondContact O-N 3.03Å; N580-K583 PolarHBondContact O-N 2.63Å; K583-H719 VanDerWaalsContact CA-CE1 3.48Å; K583-H719 WeakPolarHBondContact CA-CE1 3.31Å; K583-H719 PolarHBondContact O-CE1 3.36Å
584	L	85.1	Confident	85.6	Confident	25 Å²	25	32.1 Å²	32.1	13%	0.131	16%	0.157	C	C	.	.			trans	-102.8	147.5	-178.1	-62.8	176.6	0	0	0	112.1	I534 L579 H582 F784	I534-L584 HydrophobicContact CG2-CD1 4.19Å; I534-L584 HydrophobicContact CG2-CD2 4.29Å; L579-L584 HydrophobicContact CB-CB 4.32Å; L579-L584 HydrophobicContact CD2-CB 3.88Å; L579-L584 HydrophobicContact CD2-CD1 4.22Å; L579-L584 PolarHBondContact O-N 3.44Å; H582-L584 HydrophobicContact CB-CD1 3.92Å; H582-L584 HydrophobicContact CB-CG 3.98Å; H582-L584 PolarHBondContact O-N 2.87Å; L584-F784 HydrophobicContact CD1-CE1 4.1Å; L584-F784 HydrophobicContact CD2-CE1 4.32Å
585	S	89.9	Confident	85.7	Confident	11 Å²	11	30 Å²	30	8%	0.077	15%	0.152	C	C	.	.			trans	-92.5	162	170.1	-65.5	0	0	0	0	110.4	R720 I742	S585-R720 VanDerWaalsContact CA-O 3.3Å; S585-R720 WeakPolarHBondContact CA-O 3.08Å; S585-R720 WeakPolarHBondContact CB-O 3.26Å; S585-R720 PolarHBondContact OG-N 3.05Å; S585-R720 PolarHBondContact OG-O 3.28Å; S585-I742 WeakPolarHBondContact CB-O 3.42Å; S585-I742 PolarHBondContact OG-O 2.9Å
586	G	88.3	Confident	85.9	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	175.3	-176.7	0	0	0	0	0	116.5	R720 L722	G586-R720 PolarHBondContact N-O 3.27Å; G586-R720 VanDerWaalsContact N-O 3.13Å; G586-L722 PolarHBondContact O-N 3.39Å
587	I	89.5	Confident	86	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.6	177	-40.7	-174.5	0	0	0	110.7	W575 A589 L722 T724 L728 I742 M781 F784 I785 L786	W575-I587 VanDerWaalsContact CH2-O 3.3Å; W575-I587 WeakPolarHBondContact CH2-O 3.43Å; I587-A589 HydrophobicContact CG2-CB 4.18Å; I587-A589 PolarHBondContact O-N 2.8Å; I587-L722 CarbonylContact C-O 3.57Å; I587-L722 WeakPolarHBondContact CA-O 3.09Å; I587-L722 HydrophobicContact CB-CB 4.4Å; I587-L722 HydrophobicContact CD1-CD1 4.4Å; I587-L722 HydrophobicContact CG1-CB 4.31Å; I587-L722 HydrophobicContact CG1-CD1 4.24Å; I587-L722 HydrophobicContact CG2-CB 3.99Å; I587-T724 HydrophobicContact CG2-CG2 3.96Å; I587-L728 HydrophobicContact CD1-CD1 3.82Å; I587-I742 HydrophobicContact CD1-CD1 3.45Å; I587-I742 VanDerWaalsContact CD1-CD1 3.45Å; I587-I742 HydrophobicContact CG1-CD1 3.34Å; I587-I742 HydrophobicContact CG1-CG1 4.36Å; I587-M781 HydrophobicContact CD1-CE 4.12Å; I587-F784 PolarHBondContact N-O 2.78Å; I587-I785 HydrophobicContact CB-CG1 4.21Å; I587-I785 HydrophobicContact CD1-CD1 4.15Å; I587-I785 HydrophobicContact CD1-CG1 3.9Å; I587-I785 HydrophobicContact CG1-CG1 4.2Å; I587-I785 WeakPolarHBondContact O-CA 3.43Å; I587-L786 PolarHBondContact O-N 3.24Å
588	L	90.4	Very high	86.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	97.6	165.3	-171.5	62	0	0	0	109	K596 Q599 L722 L723 T724 L786	L588-K596 HydrophobicContact CD2-CB 4.07Å; L588-K596 HydrophobicContact CD2-CD 4.46Å; L588-K596 HydrophobicContact CD2-CG 3.87Å; L588-K596 HydrophobicContact CG-CD 4.17Å; L588-K596 HydrophobicContact CG-CG 4.01Å; L588-K596 VanDerWaalsContact O-CD 3.27Å; L588-K596 WeakPolarHBondContact O-CD 3.43Å; L588-Q599 HydrophobicContact CD2-CB 4Å; L588-L722 PolarHBondContact N-O 2.94Å; L588-L723 HydrophobicContact CB-CD2 3.79Å; L588-L723 HydrophobicContact CD2-CD2 4.15Å; L588-T724 PolarHBondContact O-N 3.28Å; L588-L786 HydrophobicContact CD1-CB 4.09Å; L588-L786 HydrophobicContact CD1-CD2 3.9Å; L588-L786 HydrophobicContact CD1-CG 4.12Å
589	A	87.4	Confident	86.6	Confident	7 Å²	7	28.6 Å²	28.6	6%	0.058	15%	0.148	C	C	.	.			trans	-105	26.5	-176.9	0	0	0	0	0	113	I587 T724 I785 L786 R787	I587-A589 HydrophobicContact CG2-CB 4.18Å; I587-A589 PolarHBondContact O-N 2.8Å; A589-T724 HydrophobicContact CB-CG2 3.55Å; A589-I785 HydrophobicContact CB-CG2 3.79Å; A589-L786 CarbonylContact C-O 3.59Å; A589-L786 WeakPolarHBondContact CA-O 3.44Å; A589-L786 PolarHBondContact N-O 3.14Å; A589-R787 HydrophobicContact CB-CB 4.17Å; A589-R787 WeakPolarHBondContact O-CG 3.32Å
590	D	86.4	Confident	87	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-46.7	148.5	167.3	-84.6	-13	0	0	0	111.9	L594 K596 Q599 L786 R788	D590-L594 HydrophobicContact CB-CB 4.26Å; D590-L594 HydrophobicContact CB-CD1 4.03Å; D590-K596 HydrophobicContact CB-CD 4.05Å; D590-K596 HydrophobicContact CB-CG 3.81Å; D590-K596 PolarHBondContact O-NZ 2.8Å; D590-Q599 PolarHBondContact OD2-NE2 3.4Å; D590-L786 PolarHBondContact N-O 3.37Å; D590-R788 VanDerWaalsContact CG-NH2 3.27Å; D590-R788 IonicContact OD1-CZ 3.62Å; D590-R788 VanDerWaalsContact OD1-CZ 3.3Å; D590-R788 IonicContact OD1-NE 2.67Å; D590-R788 PolarHBondContact OD1-NE 3.44Å; D590-R788 IonicContact OD1-NH2 3.71Å; D590-R788 PolarHBondContact OD1-NH2 3.11Å; D590-R788 IonicContact OD2-CZ 3.12Å; D590-R788 IonicContact OD2-NE 3.56Å; D590-R788 IonicContact OD2-NH2 3.92Å; D590-R788 PolarHBondContact OD2-NH2 2.95Å
591	E	82.2	Confident	87.3	Confident	52 Å²	52	27 Å²	27	24%	0.243	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-56.1	160.9	170.9	-159.1	-178.7	141.8	0	0	112.6	L594 K596 R788 V789 K790	E591-L594 HydrophobicContact CB-CD1 3.98Å; E591-L594 HydrophobicContact CB-CG 4.26Å; E591-K596 PolarHBondContact O-NZ 3.33Å; E591-R788 PolarHBondContact N-O 3.48Å; E591-V789 WeakPolarHBondContact OE2-CA 3.25Å; E591-V789 VanDerWaalsContact OE2-CB 3.22Å; E591-V789 WeakPolarHBondContact OE2-CB 3.41Å; E591-K790 HydrophobicContact CG-CG 4.37Å; E591-K790 WeakPolarHBondContact OE1-CD 3.34Å; E591-K790 WeakPolarHBondContact OE1-CE 3.12Å; E591-K790 WeakPolarHBondContact OE1-CG 3.13Å; E591-K790 IonicContact OE1-NZ 2.7Å; E591-K790 PolarHBondContact OE2-N 2.84Å
592	M	81.9	Confident	87.7	Confident	18 Å²	18	21.1 Å²	21.1	9%	0.089	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	148.7	178.1	-52.2	-147.6	70.7	0	0	111	L594 E697 K790 Q1022 D1025	M592-L594 PolarHBondContact O-N 2.94Å; M592-E697 VanDerWaalsContact CE-OE1 3.22Å; M592-E697 WeakPolarHBondContact CE-OE1 3.36Å; M592-K790 WeakPolarHBondContact O-CE 3.49Å; M592-Q1022 HydrophobicContact CE-CG 3.83Å; M592-Q1022 HydrophobicContact SD-CB 3.7Å; M592-Q1022 HydrophobicContact SD-CG 3.64Å; M592-D1025 HydrophobicContact CB-CB 4Å
593	G	77.1	Confident	88.3	Confident	21 Å²	21	17.5 Å²	17.5	22%	0.216	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-8.1	-178.1	0	0	0	0	0	116.7	G595	G593-G595 PolarHBondContact O-N 3.35Å
594	L	83.7	Confident	88.8	Confident	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.065	C	C	.	.	S	Bend	trans	-72.2	-6.4	176.9	-67.1	-172.3	0	0	0	114.9	Y568 Q569 D590 E591 M592 R788 K790 V793 L794	Y568-L594 HydrophobicContact CE2-CB 4.05Å; Y568-L594 HydrophobicContact CE2-CD2 4.39Å; Y568-L594 VanDerWaalsContact CE2-O 3.32Å; Y568-L594 WeakPolarHBondContact CE2-O 3.49Å; Y568-L594 PolarHBondContact OH-O 3.42Å; Q569-L594 PolarHBondContact NE2-O 3.11Å; Q569-L594 VanDerWaalsContact NE2-O 3.11Å; D590-L594 HydrophobicContact CB-CB 4.26Å; D590-L594 HydrophobicContact CB-CD1 4.03Å; E591-L594 HydrophobicContact CB-CD1 3.98Å; E591-L594 HydrophobicContact CB-CG 4.26Å; M592-L594 PolarHBondContact O-N 2.94Å; L594-R788 WeakPolarHBondContact CD1-O 3.12Å; L594-K790 HydrophobicContact CD2-CG 3.95Å; L594-K790 HydrophobicContact CG-CG 4.47Å; L594-V793 HydrophobicContact CD1-CG2 3.93Å; L594-V793 HydrophobicContact CD2-CG2 3.63Å; L594-V793 HydrophobicContact CG-CG2 4.46Å; L594-L794 HydrophobicContact CD2-CD1 3.44Å; L594-L794 VanDerWaalsContact CD2-CD1 3.44Å; L594-L794 HydrophobicContact CD2-CG 4.15Å
595	G	86.9	Confident	89.1	Confident	16 Å²	16	9.3 Å²	9.3	17%	0.165	6%	0.059	C	C	.	.			trans	83.1	48.8	177	0	0	0	0	0	114.2	G593 T597 I598 Q599	G593-G595 PolarHBondContact O-N 3.35Å; G595-T597 VanDerWaalsContact C-N 3.31Å; G595-T597 PolarHBondContact O-N 2.7Å; G595-I598 PolarHBondContact O-N 3.31Å; G595-Q599 PolarHBondContact O-N 3.29Å; G595-Q599 VanDerWaalsContact O-N 3.14Å
596	K	90.9	Very high	89.1	Confident	18 Å²	18	9.9 Å²	9.9	8%	0.078	6%	0.06	C	C	.	.	H	α-helix	trans	-56.9	-42.2	172.7	-71.8	-171.9	-75.7	-84.8	0	112.7	L588 D590 E591 I598 Q599 A600 L723 T724	L588-K596 HydrophobicContact CD2-CB 4.07Å; L588-K596 HydrophobicContact CD2-CD 4.46Å; L588-K596 HydrophobicContact CD2-CG 3.87Å; L588-K596 HydrophobicContact CG-CD 4.17Å; L588-K596 HydrophobicContact CG-CG 4.01Å; L588-K596 VanDerWaalsContact O-CD 3.27Å; L588-K596 WeakPolarHBondContact O-CD 3.43Å; D590-K596 HydrophobicContact CB-CD 4.05Å; D590-K596 HydrophobicContact CB-CG 3.81Å; D590-K596 PolarHBondContact O-NZ 2.8Å; E591-K596 PolarHBondContact O-NZ 3.33Å; K596-I598 VanDerWaalsContact C-N 3.32Å; K596-I598 PolarHBondContact O-N 3.34Å; K596-Q599 PolarHBondContact O-N 3.12Å; K596-A600 PolarHBondContact O-N 3.38Å; K596-L723 HydrophobicContact CD-CB 4.36Å; K596-T724 VanDerWaalsContact CE-C 3.48Å; K596-T724 WeakPolarHBondContact CE-O 3.47Å; K596-T724 PolarHBondContact NZ-O 3.23Å
597	T	91.8	Very high	89.2	Confident	23 Å²	23	9.9 Å²	9.9	14%	0.141	6%	0.06	C	C	.	.	H	α-helix	trans	-52.3	-47.7	173.2	-50.4	0	0	0	0	111.9	G595 A600 I601 W628 E631	G595-T597 VanDerWaalsContact C-N 3.31Å; G595-T597 PolarHBondContact O-N 2.7Å; T597-A600 PolarHBondContact O-N 2.94Å; T597-I601 HydrophobicContact CG2-CD1 3.93Å; T597-I601 VanDerWaalsContact O-CG1 3.28Å; T597-I601 WeakPolarHBondContact O-CG1 3.43Å; T597-I601 PolarHBondContact O-N 3.27Å; T597-W628 HydrophobicContact CG2-CD2 3.78Å; T597-W628 HydrophobicContact CG2-CE3 3.75Å; T597-W628 HydrophobicContact CG2-CG 4.46Å; T597-W628 HydrophobicContact CG2-CH2 3.99Å; T597-W628 HydrophobicContact CG2-CZ2 4Å; T597-W628 HydrophobicContact CG2-CZ3 3.85Å; T597-E631 HydrophobicContact CG2-CB 4.13Å; T597-E631 HydrophobicContact CG2-CG 4.31Å
598	I	91.2	Very high	89.3	Confident	21 Å²	21	13 Å²	13	11%	0.108	7%	0.072	C	C	.	.	H	α-helix	trans	-66.1	-41.1	-179.7	-58.5	165.4	0	0	0	110.8	L565 G595 K596 A600 I601 A602 W635	L565-I598 HydrophobicContact CD2-CG2 3.46Å; L565-I598 VanDerWaalsContact CD2-CG2 3.46Å; G595-I598 PolarHBondContact O-N 3.31Å; K596-I598 VanDerWaalsContact C-N 3.32Å; K596-I598 PolarHBondContact O-N 3.34Å; I598-A600 PolarHBondContact O-N 3.07Å; I598-I601 PolarHBondContact O-N 3.22Å; I598-A602 VanDerWaalsContact O-CB 3.31Å; I598-A602 WeakPolarHBondContact O-CB 3.38Å; I598-A602 PolarHBondContact O-N 3.45Å; I598-W635 HydrophobicContact CD1-CH2 4.43Å; I598-W635 HydrophobicContact CD1-CZ2 3.65Å; I598-W635 HydrophobicContact CG1-CZ2 4.01Å; I598-W635 HydrophobicContact CG2-CD2 4Å; I598-W635 HydrophobicContact CG2-CE3 3.99Å; I598-W635 HydrophobicContact CG2-CH2 3.76Å; I598-W635 HydrophobicContact CG2-CZ2 3.77Å; I598-W635 HydrophobicContact CG2-CZ3 3.87Å
599	Q	92.2	Very high	89.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-39.3	174.8	-72.2	173.9	92.5	0	0	112.2	Q569 L588 D590 G595 K596 F603	Q569-Q599 HydrophobicContact CB-CG 3.8Å; Q569-Q599 HydrophobicContact CG-CG 3.97Å; L588-Q599 HydrophobicContact CD2-CB 4Å; D590-Q599 PolarHBondContact OD2-NE2 3.4Å; G595-Q599 PolarHBondContact O-N 3.29Å; G595-Q599 VanDerWaalsContact O-N 3.14Å; K596-Q599 PolarHBondContact O-N 3.12Å; Q599-F603 WeakPolarHBondContact O-CB 3.44Å; Q599-F603 PolarHBondContact O-N 2.88Å
600	A	94.7	Very high	89.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68	-40.7	175.6	0	0	0	0	0	112.7	K596 T597 I598 F603 L604 W628 I694 L723	K596-A600 PolarHBondContact O-N 3.38Å; T597-A600 PolarHBondContact O-N 2.94Å; I598-A600 PolarHBondContact O-N 3.07Å; A600-F603 PolarHBondContact O-N 3.44Å; A600-L604 WeakPolarHBondContact O-CG 3.3Å; A600-L604 PolarHBondContact O-N 3.31Å; A600-W628 HydrophobicContact CB-CH2 3.88Å; A600-W628 HydrophobicContact CB-CZ3 4.22Å; A600-I694 HydrophobicContact CB-CD1 4.34Å; A600-L723 HydrophobicContact CB-CD1 4.18Å
601	I	94.4	Very high	89.1	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-43.6	175	-65.4	165.1	0	0	0	110.7	L559 T597 I598 F603 L604 A605 W628 E631 L632 W635 C636	L559-I601 HydrophobicContact CD2-CG2 4.31Å; T597-I601 HydrophobicContact CG2-CD1 3.93Å; T597-I601 VanDerWaalsContact O-CG1 3.28Å; T597-I601 WeakPolarHBondContact O-CG1 3.43Å; T597-I601 PolarHBondContact O-N 3.27Å; I598-I601 PolarHBondContact O-N 3.22Å; I601-F603 VanDerWaalsContact C-N 3.28Å; I601-F603 PolarHBondContact O-N 3.14Å; I601-L604 PolarHBondContact O-N 3.19Å; I601-A605 WeakPolarHBondContact O-CB 3.33Å; I601-A605 PolarHBondContact O-N 2.98Å; I601-W628 HydrophobicContact CG1-CZ3 4.42Å; I601-E631 HydrophobicContact CD1-CB 3.77Å; I601-L632 HydrophobicContact CD1-CD2 4.3Å; I601-L632 HydrophobicContact CD1-CG 4.11Å; I601-L632 HydrophobicContact CG1-CD2 3.8Å; I601-L632 HydrophobicContact CG1-CG 4.12Å; I601-L632 HydrophobicContact CG2-CD2 4.25Å; I601-W635 HydrophobicContact CG2-CB 4Å; I601-C636 HydrophobicContact CG2-CB 3.86Å
602	A	92.9	Very high	89.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-36.3	175.4	0	0	0	0	0	112.5	L559 L565 L573 I598 Q606	L559-A602 HydrophobicContact CD1-CB 3.78Å; L565-A602 HydrophobicContact CD1-CB 3.87Å; L565-A602 HydrophobicContact CD2-CB 4.35Å; L573-A602 HydrophobicContact CD1-CB 4.3Å; L573-A602 HydrophobicContact CD2-CB 4.29Å; I598-A602 VanDerWaalsContact O-CB 3.31Å; I598-A602 WeakPolarHBondContact O-CB 3.38Å; I598-A602 PolarHBondContact O-N 3.45Å; A602-Q606 WeakPolarHBondContact O-CB 3.48Å; A602-Q606 PolarHBondContact O-N 3.25Å
603	F	93.7	Very high	89.6	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-46.4	174.2	176.2	-114.4	0	0	0	112.1	L573 L576 N580 Q599 A600 I601 A605 Q606 L607 Y692 L721	L573-F603 VanDerWaalsContact CD1-CA 3.5Å; L573-F603 HydrophobicContact CD1-CB 3.93Å; L573-F603 HydrophobicContact CD1-CD2 4.41Å; L576-F603 HydrophobicContact CB-CD2 3.54Å; L576-F603 HydrophobicContact CB-CE2 3.81Å; L576-F603 HydrophobicContact CB-CG 3.98Å; L576-F603 HydrophobicContact CB-CZ 4.45Å; L576-F603 HydrophobicContact CD1-CB 3.91Å; L576-F603 HydrophobicContact CD1-CD2 4.45Å; L576-F603 HydrophobicContact CD1-CG 4.06Å; L576-F603 WeakPolarHBondContact O-CE2 3.2Å; N580-F603 HydrophobicContact CB-CE2 4.17Å; N580-F603 HydrophobicContact CB-CZ 4.11Å; Q599-F603 WeakPolarHBondContact O-CB 3.44Å; Q599-F603 PolarHBondContact O-N 2.88Å; A600-F603 PolarHBondContact O-N 3.44Å; I601-F603 VanDerWaalsContact C-N 3.28Å; I601-F603 PolarHBondContact O-N 3.14Å; F603-A605 VanDerWaalsContact C-N 3.34Å; F603-A605 PolarHBondContact O-N 3.12Å; F603-Q606 PolarHBondContact O-N 2.9Å; F603-L607 HydrophobicContact CD1-CD1 4.22Å; F603-L607 HydrophobicContact CE1-CD1 3.69Å; F603-L607 HydrophobicContact CE1-CG 4.31Å; F603-L607 HydrophobicContact CE2-CD1 4.37Å; F603-L607 HydrophobicContact CE2-CD2 4.09Å; F603-L607 HydrophobicContact CE2-CG 4.15Å; F603-L607 HydrophobicContact CZ-CD1 3.78Å; F603-L607 HydrophobicContact CZ-CD2 4.06Å; F603-L607 HydrophobicContact CZ-CG 4.05Å; F603-L607 WeakPolarHBondContact O-CG 3.3Å; F603-L607 PolarHBondContact O-N 3.02Å; F603-Y692 AromaticContact CE1-CD1 3.92Å; F603-Y692 HydrophobicContact CE1-CD1 3.92Å; F603-Y692 HydrophobicContact CE1-CD2 4.3Å; F603-Y692 AromaticContact CE1-CE1 3.68Å; F603-Y692 HydrophobicContact CE1-CE1 3.68Å; F603-Y692 HydrophobicContact CE1-CE2 4.07Å; F603-Y692 HydrophobicContact CE1-CG 4.23Å; F603-Y692 AromaticContact CE1-CZ 3.79Å; F603-Y692 AromaticContact CZ-CE1 3.88Å; F603-Y692 HydrophobicContact CZ-CE1 3.88Å; F603-Y692 AromaticContact CZ-CE2 3.93Å; F603-Y692 HydrophobicContact CZ-CE2 3.93Å; F603-Y692 AromaticContact CZ-CZ 3.56Å; F603-L721 HydrophobicContact CD1-CD2 4.48Å
604	L	93.6	Very high	90	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-40.8	174.2	-69.4	176.7	0	0	0	112.4	A600 I601 Q606 L607 Y608 H616 I618 L639 V667 I694	A600-L604 WeakPolarHBondContact O-CG 3.3Å; A600-L604 PolarHBondContact O-N 3.31Å; I601-L604 PolarHBondContact O-N 3.19Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; L604-Q606 PolarHBondContact O-N 3.28Å; L604-L607 HydrophobicContact CD2-CD1 4.39Å; L604-L607 PolarHBondContact O-N 3.08Å; L604-Y608 PolarHBondContact O-N 2.97Å; L604-H616 HydrophobicContact CD2-CB 4.05Å; L604-I618 HydrophobicContact CD1-CD1 4.01Å; L604-L639 HydrophobicContact CB-CD1 4.15Å; L604-V667 HydrophobicContact CD1-CG2 4.22Å; L604-I694 HydrophobicContact CD1-CD1 3.95Å; L604-I694 HydrophobicContact CD2-CD1 4.18Å; L604-I694 HydrophobicContact CG-CD1 4.09Å
605	A	91.9	Very high	90.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-40.4	174.3	0	0	0	0	0	112.1	P556 L558 L559 I601 F603 Y608 E609	P556-A605 HydrophobicContact CB-CB 4.27Å; L558-A605 HydrophobicContact CB-CB 4.41Å; L559-A605 HydrophobicContact CD2-CB 3.9Å; L559-A605 HydrophobicContact CG-CB 4.15Å; I601-A605 WeakPolarHBondContact O-CB 3.33Å; I601-A605 PolarHBondContact O-N 2.98Å; F603-A605 VanDerWaalsContact C-N 3.34Å; F603-A605 PolarHBondContact O-N 3.12Å; A605-Y608 PolarHBondContact O-N 3.39Å; A605-E609 PolarHBondContact O-N 3.34Å
606	Q	90.2	Very high	90.8	Very high	22 Å²	22	27.8 Å²	27.8	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-34.1	177.4	-165	63.8	83.6	0	0	113	P556 L573 M577 A602 F603 L604 E609 N610	P556-Q606 HydrophobicContact CG-CB 4.09Å; L573-Q606 HydrophobicContact CD1-CB 4.43Å; M577-Q606 HydrophobicContact CE-CG 3.74Å; M577-Q606 HydrophobicContact CG-CG 4.31Å; M577-Q606 HydrophobicContact SD-CG 3.79Å; A602-Q606 WeakPolarHBondContact O-CB 3.48Å; A602-Q606 PolarHBondContact O-N 3.25Å; F603-Q606 PolarHBondContact O-N 2.9Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; L604-Q606 PolarHBondContact O-N 3.28Å; Q606-E609 PolarHBondContact NE2-OE2 2.83Å; Q606-E609 PolarHBondContact O-N 2.83Å; Q606-N610 WeakPolarHBondContact O-CB 3.31Å; Q606-N610 PolarHBondContact O-N 2.99Å; Q606-N610 VanDerWaalsContact O-N 3.08Å; Q606-N610 PolarHBondContact O-ND2 2.8Å; Q606-N610 PolarHBondContact O-OD1 2.8Å
607	L	90.9	Very high	91	Very high	3 Å²	3	27 Å²	27	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-42	171.9	-70.6	-178.8	0	0	0	111.3	N580 F603 L604 N610 G611 I612 Y692	N580-L607 HydrophobicContact CB-CD2 4.41Å; N580-L607 WeakPolarHBondContact OD1-CD2 3.37Å; F603-L607 HydrophobicContact CD1-CD1 4.22Å; F603-L607 HydrophobicContact CE1-CD1 3.69Å; F603-L607 HydrophobicContact CE1-CG 4.31Å; F603-L607 HydrophobicContact CE2-CD1 4.37Å; F603-L607 HydrophobicContact CE2-CD2 4.09Å; F603-L607 HydrophobicContact CE2-CG 4.15Å; F603-L607 HydrophobicContact CZ-CD1 3.78Å; F603-L607 HydrophobicContact CZ-CD2 4.06Å; F603-L607 HydrophobicContact CZ-CG 4.05Å; F603-L607 WeakPolarHBondContact O-CG 3.3Å; F603-L607 PolarHBondContact O-N 3.02Å; L604-L607 HydrophobicContact CD2-CD1 4.39Å; L604-L607 PolarHBondContact O-N 3.08Å; L607-N610 CarbonylContact O-C 3.55Å; L607-N610 WeakPolarHBondContact O-CA 3.39Å; L607-N610 WeakPolarHBondContact O-CB 3.42Å; L607-N610 PolarHBondContact O-N 3.46Å; L607-N610 VanDerWaalsContact O-N 3.12Å; L607-G611 PolarHBondContact O-N 3.21Å; L607-I612 CarbonylContact C-O 3.34Å; L607-I612 HydrophobicContact CB-CB 4.24Å; L607-I612 HydrophobicContact CD2-CD1 4.15Å; L607-I612 WeakPolarHBondContact O-CB 3.46Å; L607-I612 PolarHBondContact O-N 2.83Å; L607-Y692 HydrophobicContact CD1-CD2 3.54Å; L607-Y692 HydrophobicContact CD1-CE2 3.67Å; L607-Y692 HydrophobicContact CD1-CG 4.37Å; L607-Y692 HydrophobicContact CD2-CE2 4.48Å
608	Y	90.6	Very high	91.2	Very high	67 Å²	67	25.9 Å²	25.9	26%	0.263	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-44.7	175.7	-168.3	-76.2	0	0	0	111.7	L558 L604 A605 N610 G611 E613 L639	L558-Y608 HydrophobicContact CD2-CD1 3.37Å; L558-Y608 HydrophobicContact CD2-CE1 3.99Å; L558-Y608 HydrophobicContact CD2-CG 4.03Å; L604-Y608 PolarHBondContact O-N 2.97Å; A605-Y608 PolarHBondContact O-N 3.39Å; Y608-N610 PolarHBondContact O-N 3.11Å; Y608-G611 PolarHBondContact O-N 3.12Å; Y608-E613 HydrophobicContact CD2-CB 4.21Å; Y608-E613 HydrophobicContact CD2-CG 4.1Å; Y608-E613 HydrophobicContact CE2-CB 4.07Å; Y608-E613 HydrophobicContact CE2-CG 3.84Å; Y608-L639 HydrophobicContact CD2-CD2 3.52Å; Y608-L639 HydrophobicContact CE2-CD2 4.23Å; Y608-L639 HydrophobicContact CG-CD2 4.01Å
609	E	88.7	Confident	91.3	Very high	65 Å²	65	24.9 Å²	24.9	30%	0.304	14%	0.143	S	C	.	.	H	α-helix	trans	-58.4	-31.4	172.4	-75.6	-175.9	170.8	0	0	113.2	S557 L558 A605 Q606 G611	S557-E609 VanDerWaalsContact CA-OE1 3.29Å; S557-E609 WeakPolarHBondContact CA-OE1 3.45Å; S557-E609 WeakPolarHBondContact CB-OE1 3.41Å; S557-E609 PolarHBondContact N-OE1 3Å; S557-E609 PolarHBondContact OG-OE1 3.23Å; L558-E609 HydrophobicContact CB-CG 4.48Å; L558-E609 HydrophobicContact CD1-CG 3.91Å; L558-E609 HydrophobicContact CD2-CG 4.34Å; L558-E609 HydrophobicContact CG-CG 4.47Å; L558-E609 PolarHBondContact N-OE1 2.9Å; A605-E609 PolarHBondContact O-N 3.34Å; Q606-E609 PolarHBondContact NE2-OE2 2.83Å; Q606-E609 PolarHBondContact O-N 2.83Å; E609-G611 PolarHBondContact O-N 3.04Å
610	N	86.9	Confident	91.3	Very high	92 Å²	92	24.9 Å²	24.9	49%	0.492	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	6.8	175.5	-65.6	-9.8	0	0	0	113.4	Q606 L607 Y608	Q606-N610 WeakPolarHBondContact O-CB 3.31Å; Q606-N610 PolarHBondContact O-N 2.99Å; Q606-N610 VanDerWaalsContact O-N 3.08Å; Q606-N610 PolarHBondContact O-ND2 2.8Å; Q606-N610 PolarHBondContact O-OD1 2.8Å; L607-N610 CarbonylContact O-C 3.55Å; L607-N610 WeakPolarHBondContact O-CA 3.39Å; L607-N610 WeakPolarHBondContact O-CB 3.42Å; L607-N610 PolarHBondContact O-N 3.46Å; L607-N610 VanDerWaalsContact O-N 3.12Å; Y608-N610 PolarHBondContact O-N 3.11Å
611	G	85.7	Confident	90.9	Very high	58 Å²	58	25.5 Å²	25.5	60%	0.598	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	16.7	178.6	0	0	0	0	0	115.3	L607 Y608 E609	L607-G611 PolarHBondContact O-N 3.21Å; Y608-G611 PolarHBondContact O-N 3.12Å; E609-G611 PolarHBondContact O-N 3.04Å
612	I	88.8	Confident	90.2	Very high	52 Å²	52	27.2 Å²	27.2	27%	0.267	16%	0.159	S	C	.	.			trans	-103.8	88.4	175.3	-58.1	169.8	0	0	0	107.9	L607 K691	L607-I612 CarbonylContact C-O 3.34Å; L607-I612 HydrophobicContact CB-CB 4.24Å; L607-I612 HydrophobicContact CD2-CD1 4.15Å; L607-I612 WeakPolarHBondContact O-CB 3.46Å; L607-I612 PolarHBondContact O-N 2.83Å; I612-K691 HydrophobicContact CG2-CG 4.4Å
613	E	84.1	Confident	89.4	Confident	100 Å²	100	28.5 Å²	28.5	47%	0.467	17%	0.168	S	C	.	.			trans	-82.9	-13.1	-172.3	-60	-178.4	175.2	0	0	114.4	Y608 N666	Y608-E613 HydrophobicContact CD2-CB 4.21Å; Y608-E613 HydrophobicContact CD2-CG 4.1Å; Y608-E613 HydrophobicContact CE2-CB 4.07Å; Y608-E613 HydrophobicContact CE2-CG 3.84Å; E613-N666 WeakPolarHBondContact O-CA 3.33Å; E613-N666 VanDerWaalsContact O-CB 3.31Å; E613-N666 WeakPolarHBondContact O-CB 3.35Å; E613-N666 PolarHBondContact O-ND2 3.3Å
614	G	86	Confident	88.9	Confident	25 Å²	25	28.6 Å²	28.6	26%	0.258	17%	0.169	S	C	.	.			trans	131.1	-156.7	176.8	0	0	0	0	0	114.7	H616	G614-H616 VanDerWaalsContact CA-CD2 3.48Å; G614-H616 WeakPolarHBondContact CA-CD2 3.29Å; G614-H616 WeakPolarHBondContact CA-NE2 3.31Å
615	P	92.4	Very high	88.6	Confident	31 Å²	31	28.7 Å²	28.7	20%	0.201	17%	0.169	C	C	.	.			cis	-73.5	139.3	-3.3	30.7	-34.3	0	0	0	112	F665 P689 I690 K691	P615-F665 HydrophobicContact CB-CD2 4.45Å; P615-F665 HydrophobicContact CB-CE2 3.74Å; P615-P689 WeakPolarHBondContact CG-O 3.5Å; P615-I690 WeakPolarHBondContact O-CA 3.49Å; P615-K691 PolarHBondContact O-N 3.02Å
616	H	95.3	Very high	88.2	Confident	3 Å²	3	31 Å²	31	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.3	172.7	-56.1	-77	0	0	0	110.6	L604 G614 N666 V667 I668 Y692	L604-H616 HydrophobicContact CD2-CB 4.05Å; G614-H616 VanDerWaalsContact CA-CD2 3.48Å; G614-H616 WeakPolarHBondContact CA-CD2 3.29Å; G614-H616 WeakPolarHBondContact CA-NE2 3.31Å; H616-N666 PolarHBondContact CD2-O 3.05Å; H616-N666 PolarHBondContact N-O 3.07Å; H616-V667 HydrophobicContact CB-CG2 4.39Å; H616-I668 PolarHBondContact O-N 2.94Å; H616-Y692 WeakPolarHBondContact CA-O 3.38Å
617	L	95.3	Very high	87.9	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	175.8	-177.8	66.6	0	0	0	109.8	I668 T670 F685 I690 Y692 A693 I694 I715	L617-I668 CarbonylContact C-O 3.5Å; L617-I668 WeakPolarHBondContact CA-O 3.39Å; L617-I668 HydrophobicContact CD1-CB 3.93Å; L617-I668 HydrophobicContact CD1-CG2 3.92Å; L617-T670 HydrophobicContact CD1-CG2 3.79Å; L617-F685 HydrophobicContact CD1-CD1 4.05Å; L617-F685 HydrophobicContact CD1-CE1 3.68Å; L617-F685 HydrophobicContact CD1-CZ 4.48Å; L617-F685 HydrophobicContact CD2-CD1 4.02Å; L617-F685 HydrophobicContact CD2-CE1 4.43Å; L617-I690 HydrophobicContact CB-CD1 4.03Å; L617-I690 HydrophobicContact CB-CG1 4.37Å; L617-I690 HydrophobicContact CB-CG2 3.88Å; L617-I690 HydrophobicContact CD2-CD1 3.84Å; L617-Y692 PolarHBondContact N-O 2.82Å; L617-A693 CarbonylContact O-C 3.59Å; L617-A693 WeakPolarHBondContact O-CA 3.47Å; L617-I694 PolarHBondContact O-N 3.11Å; L617-I715 HydrophobicContact CD2-CD1 4.13Å; L617-I715 HydrophobicContact CD2-CG2 4.08Å
618	I	96.1	Very high	87.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.1	168.9	-46.4	-176.8	0	0	0	107.9	L604 V620 W628 L632 V667 I668 V669 T670 I694	L604-I618 HydrophobicContact CD1-CD1 4.01Å; I618-V620 HydrophobicContact CG2-CG1 3.67Å; I618-W628 HydrophobicContact CD1-CE3 3.96Å; I618-W628 HydrophobicContact CD1-CZ3 3.94Å; I618-W628 HydrophobicContact CG2-CD2 4.22Å; I618-W628 HydrophobicContact CG2-CE3 4Å; I618-W628 HydrophobicContact CG2-CH2 4.35Å; I618-W628 HydrophobicContact CG2-CZ3 4.07Å; I618-L632 HydrophobicContact CD1-CD1 4.22Å; I618-V667 HydrophobicContact CD1-CG1 3.64Å; I618-V667 HydrophobicContact CG1-CG1 3.76Å; I618-I668 PolarHBondContact N-O 3.39Å; I618-V669 HydrophobicContact CB-CG1 4.48Å; I618-V669 HydrophobicContact CB-CG2 4.45Å; I618-V669 HydrophobicContact CD1-CG2 4.46Å; I618-V669 WeakPolarHBondContact O-CA 3.31Å; I618-T670 PolarHBondContact O-N 3.2Å; I618-I694 WeakPolarHBondContact CA-O 3.44Å; I618-I694 HydrophobicContact CG1-CB 4.36Å; I618-I694 HydrophobicContact CG1-CD1 4.39Å; I618-I694 HydrophobicContact CG2-CB 4.25Å; I618-I694 HydrophobicContact CG2-CG2 4.41Å
619	T	93.9	Very high	87.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124	177.2	-50.9	0	0	0	0	109.2	T670 Y672 A675 I694 F695 D696 L712	T619-T670 WeakPolarHBondContact CA-O 3.33Å; T619-T670 HydrophobicContact CG2-CG2 4.29Å; T619-Y672 HydrophobicContact CG2-CD1 3.45Å; T619-Y672 VanDerWaalsContact CG2-CD1 3.45Å; T619-Y672 HydrophobicContact CG2-CD2 4.41Å; T619-Y672 HydrophobicContact CG2-CE1 3.68Å; T619-Y672 HydrophobicContact CG2-CG 3.86Å; T619-A675 HydrophobicContact CG2-CB 4.3Å; T619-I694 PolarHBondContact N-O 2.64Å; T619-F695 HydrophobicContact CG2-CD1 4.33Å; T619-D696 PolarHBondContact O-N 3.44Å; T619-L712 HydrophobicContact CG2-CD2 4.33Å
620	V	90.9	Very high	87.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.8	-170.1	-52.7	0	0	0	0	112.7	I618 L625 W628 V669 T670 T671 Y672 D696	I618-V620 HydrophobicContact CG2-CG1 3.67Å; V620-L625 HydrophobicContact CG2-CB 4.26Å; V620-L625 HydrophobicContact CG2-CD1 4.03Å; V620-W628 HydrophobicContact CG1-CD2 4.28Å; V620-W628 HydrophobicContact CG1-CG 4.03Å; V620-V669 HydrophobicContact CG2-CG1 4.44Å; V620-T670 PolarHBondContact N-O 3.42Å; V620-T671 CarbonylContact O-C 3.57Å; V620-T671 VanDerWaalsContact O-CA 3.22Å; V620-T671 WeakPolarHBondContact O-CA 3.21Å; V620-Y672 WeakPolarHBondContact O-CD2 3.43Å; V620-Y672 PolarHBondContact O-N 2.83Å; V620-D696 HydrophobicContact CB-CB 4.29Å; V620-D696 HydrophobicContact CG1-CB 3.92Å
621	P	85.9	Confident	87.9	Confident	12 Å²	12	28.1 Å²	28.1	8%	0.078	16%	0.164	C	C	.	.			trans	-61.9	141.1	164.4	-19.8	32.1	0	0	0	111.1	S623 T624 Y672 E697 M700 L998	P621-S623 PolarHBondContact O-N 2.92Å; P621-T624 HydrophobicContact CB-CG2 4.28Å; P621-T624 HydrophobicContact CG-CG2 4.4Å; P621-T624 PolarHBondContact O-N 2.85Å; P621-T624 PolarHBondContact O-OG1 3.15Å; P621-Y672 HydrophobicContact CG-CE2 4.37Å; P621-E697 HydrophobicContact CG-CB 4.08Å; P621-E697 HydrophobicContact CG-CG 4.29Å; P621-M700 HydrophobicContact CG-SD 4.32Å; P621-L998 HydrophobicContact CB-CD2 4.44Å
622	S	80.9	Confident	88.2	Confident	37 Å²	37	25.4 Å²	25.4	26%	0.259	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.6	-173.7	-51.6	0	0	0	0	115.1
623	S	76.3	Confident	88.3	Confident	28 Å²	28	30.5 Å²	30.5	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14	177.2	42.9	0	0	0	0	114.8	P621 L998	P621-S623 PolarHBondContact O-N 2.92Å; S623-L998 WeakPolarHBondContact OG-CB 3.47Å; S623-L998 WeakPolarHBondContact OG-CD1 3.46Å
624	T	82.5	Confident	88.6	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-6.2	178.3	81.1	0	0	0	0	113	P621 D626 N627 W628 L998 G999	P621-T624 HydrophobicContact CB-CG2 4.28Å; P621-T624 HydrophobicContact CG-CG2 4.4Å; P621-T624 PolarHBondContact O-N 2.85Å; P621-T624 PolarHBondContact O-OG1 3.15Å; T624-D626 PolarHBondContact O-N 2.87Å; T624-N627 WeakPolarHBondContact O-CB 3.28Å; T624-N627 PolarHBondContact O-N 3.48Å; T624-N627 VanDerWaalsContact O-N 3.12Å; T624-W628 PolarHBondContact O-N 2.81Å; T624-L998 HydrophobicContact CG2-CB 4.32Å; T624-G999 VanDerWaalsContact CG2-CA 3.5Å
625	L	86.9	Confident	88.8	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-45.6	-58.2	178.6	-172.2	78.4	0	0	0	112.5	V620 N627 W628 V629 I643 Y645 V669 T671	V620-L625 HydrophobicContact CG2-CB 4.26Å; V620-L625 HydrophobicContact CG2-CD1 4.03Å; L625-N627 VanDerWaalsContact C-N 3.32Å; L625-N627 PolarHBondContact O-N 2.7Å; L625-W628 WeakPolarHBondContact O-CB 3.44Å; L625-W628 PolarHBondContact O-N 3.44Å; L625-V629 WeakPolarHBondContact O-CG2 3.5Å; L625-V629 PolarHBondContact O-N 3.2Å; L625-I643 HydrophobicContact CD2-CG2 4.25Å; L625-Y645 HydrophobicContact CD2-CD2 3.72Å; L625-Y645 HydrophobicContact CD2-CE2 4.36Å; L625-Y645 HydrophobicContact CD2-CG 3.88Å; L625-V669 HydrophobicContact CD1-CG1 3.74Å; L625-T671 HydrophobicContact CD1-CG2 4.04Å; L625-T671 HydrophobicContact CD2-CG2 4.44Å
626	D	83.1	Confident	88.7	Confident	49 Å²	49	28 Å²	28	26%	0.262	13%	0.132	S	C	.	.	H	α-helix	trans	-70.8	-28.4	-176.1	-53.9	-73.4	0	0	0	113	T624 V629 R630 I970 I974	T624-D626 PolarHBondContact O-N 2.87Å; D626-V629 PolarHBondContact O-N 3.04Å; D626-R630 WeakPolarHBondContact O-CB 3.39Å; D626-R630 PolarHBondContact O-N 3.24Å; D626-I970 WeakPolarHBondContact OD2-CG2 3.47Å; D626-I974 HydrophobicContact CB-CD1 3.5Å; D626-I974 VanDerWaalsContact CB-CD1 3.5Å; D626-I974 HydrophobicContact CB-CG1 4.28Å
627	N	85.3	Confident	88.4	Confident	37 Å²	37	32.3 Å²	32.3	20%	0.198	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-44.4	171.8	-176.6	97.4	0	0	0	110.4	T624 L625 R630 E631	T624-N627 WeakPolarHBondContact O-CB 3.28Å; T624-N627 PolarHBondContact O-N 3.48Å; T624-N627 VanDerWaalsContact O-N 3.12Å; L625-N627 VanDerWaalsContact C-N 3.32Å; L625-N627 PolarHBondContact O-N 2.7Å; N627-R630 PolarHBondContact O-N 3.13Å; N627-E631 WeakPolarHBondContact O-CB 3.48Å; N627-E631 WeakPolarHBondContact O-CG 3.36Å; N627-E631 PolarHBondContact O-N 2.85Å
628	W	90.8	Very high	88	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-44	174	-86.8	92.4	0	0	0	112	T597 A600 I601 I618 V620 T624 L625 L632 D696 L723	T597-W628 HydrophobicContact CG2-CD2 3.78Å; T597-W628 HydrophobicContact CG2-CE3 3.75Å; T597-W628 HydrophobicContact CG2-CG 4.46Å; T597-W628 HydrophobicContact CG2-CH2 3.99Å; T597-W628 HydrophobicContact CG2-CZ2 4Å; T597-W628 HydrophobicContact CG2-CZ3 3.85Å; A600-W628 HydrophobicContact CB-CH2 3.88Å; A600-W628 HydrophobicContact CB-CZ3 4.22Å; I601-W628 HydrophobicContact CG1-CZ3 4.42Å; I618-W628 HydrophobicContact CD1-CE3 3.96Å; I618-W628 HydrophobicContact CD1-CZ3 3.94Å; I618-W628 HydrophobicContact CG2-CD2 4.22Å; I618-W628 HydrophobicContact CG2-CE3 4Å; I618-W628 HydrophobicContact CG2-CH2 4.35Å; I618-W628 HydrophobicContact CG2-CZ3 4.07Å; V620-W628 HydrophobicContact CG1-CD2 4.28Å; V620-W628 HydrophobicContact CG1-CG 4.03Å; T624-W628 PolarHBondContact O-N 2.81Å; L625-W628 WeakPolarHBondContact O-CB 3.44Å; L625-W628 PolarHBondContact O-N 3.44Å; W628-L632 VanDerWaalsContact O-CB 3.3Å; W628-L632 WeakPolarHBondContact O-CB 3.3Å; W628-L632 WeakPolarHBondContact O-CD1 3.49Å; W628-L632 VanDerWaalsContact O-CG 3.31Å; W628-L632 WeakPolarHBondContact O-CG 3.45Å; W628-L632 PolarHBondContact O-N 2.83Å; W628-D696 HydrophobicContact CZ2-CB 4.06Å; W628-D696 PolarHBondContact NE1-OD2 3.07Å; W628-L723 HydrophobicContact CH2-CD1 3.57Å; W628-L723 HydrophobicContact CZ2-CD1 3.62Å
629	V	89.7	Confident	87.7	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-40.9	176.4	172.1	0	0	0	0	112	L625 D626 R633 I643	L625-V629 WeakPolarHBondContact O-CG2 3.5Å; L625-V629 PolarHBondContact O-N 3.2Å; D626-V629 PolarHBondContact O-N 3.04Å; V629-R633 WeakPolarHBondContact O-CB 3.5Å; V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.43Å; V629-R633 PolarHBondContact O-N 3.22Å; V629-R633 VanDerWaalsContact O-N 3.1Å; V629-I643 HydrophobicContact CG1-CD1 3.92Å; V629-I643 HydrophobicContact CG2-CD1 3.83Å; V629-I643 HydrophobicContact CG2-CG1 3.9Å
630	R	86.9	Confident	87.5	Confident	121 Å²	121	40.1 Å²	40.1	46%	0.457	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-47.9	177	-178.5	173.7	177.7	163	-7.6	111.8	D626 N627 R633 L634 D978	D626-R630 WeakPolarHBondContact O-CB 3.39Å; D626-R630 PolarHBondContact O-N 3.24Å; N627-R630 PolarHBondContact O-N 3.13Å; R630-R633 PolarHBondContact O-N 2.96Å; R630-L634 WeakPolarHBondContact O-CB 3.48Å; R630-L634 PolarHBondContact O-N 2.68Å; R630-D978 IonicContact CZ-OD1 3.8Å; R630-D978 IonicContact CZ-OD2 3.77Å; R630-D978 IonicContact NH1-OD1 3.29Å; R630-D978 PolarHBondContact NH1-OD1 3.38Å; R630-D978 IonicContact NH1-OD2 2.78Å; R630-D978 PolarHBondContact NH1-OD2 3Å; R630-D978 IonicContact NH2-OD1 2.9Å; R630-D978 PolarHBondContact NH2-OD1 3.1Å; R630-D978 IonicContact NH2-OD2 2.84Å; R630-D978 PolarHBondContact NH2-OD2 2.81Å
631	E	90	Very high	87.6	Confident	22 Å²	22	41.6 Å²	41.6	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-41	178.1	-65.3	-88.9	-149.9	0	0	110.9	T597 I601 N627 L634 W635 R1029	T597-E631 HydrophobicContact CG2-CB 4.13Å; T597-E631 HydrophobicContact CG2-CG 4.31Å; I601-E631 HydrophobicContact CD1-CB 3.77Å; N627-E631 WeakPolarHBondContact O-CB 3.48Å; N627-E631 WeakPolarHBondContact O-CG 3.36Å; N627-E631 PolarHBondContact O-N 2.85Å; E631-L634 PolarHBondContact O-N 3.29Å; E631-W635 WeakPolarHBondContact O-CB 3.46Å; E631-W635 VanDerWaalsContact O-CD1 3.28Å; E631-W635 PolarHBondContact O-N 3.34Å; E631-W635 VanDerWaalsContact OE2-CD1 3.25Å; E631-W635 PolarHBondContact OE2-NE1 3.18Å; E631-R1029 IonicContact OE1-NH2 2.97Å
632	L	92	Very high	87.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-51.7	173.9	-83.2	161.5	0	0	0	111.9	I601 I618 W628 L634 C636 V641 V669	I601-L632 HydrophobicContact CD1-CD2 4.3Å; I601-L632 HydrophobicContact CD1-CG 4.11Å; I601-L632 HydrophobicContact CG1-CD2 3.8Å; I601-L632 HydrophobicContact CG1-CG 4.12Å; I601-L632 HydrophobicContact CG2-CD2 4.25Å; I618-L632 HydrophobicContact CD1-CD1 4.22Å; W628-L632 VanDerWaalsContact O-CB 3.3Å; W628-L632 WeakPolarHBondContact O-CB 3.3Å; W628-L632 WeakPolarHBondContact O-CD1 3.49Å; W628-L632 VanDerWaalsContact O-CG 3.31Å; W628-L632 WeakPolarHBondContact O-CG 3.45Å; W628-L632 PolarHBondContact O-N 2.83Å; L632-L634 VanDerWaalsContact C-N 3.28Å; L632-L634 PolarHBondContact O-N 3.18Å; L632-C636 CarbonylContact O-C 3.38Å; L632-C636 VanDerWaalsContact O-C 3.29Å; L632-C636 PolarHBondContact O-N 3.22Å; L632-V641 HydrophobicContact CB-CG2 4.1Å; L632-V641 HydrophobicContact CD1-CG1 3.96Å; L632-V641 HydrophobicContact CD1-CG2 4.01Å; L632-V641 HydrophobicContact CD2-CG2 4.34Å; L632-V641 HydrophobicContact CG-CG2 4.39Å; L632-V669 HydrophobicContact CD1-CG2 3.89Å
633	R	90.9	Very high	88.4	Confident	158 Å²	158	43 Å²	43	60%	0.596	22%	0.218	S	C	*	.	H	α-helix	trans	-64.2	-30.6	178.7	-71.4	172.6	179.3	169.5	2.1	113.2	V629 R630	V629-R633 WeakPolarHBondContact O-CB 3.5Å; V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.43Å; V629-R633 PolarHBondContact O-N 3.22Å; V629-R633 VanDerWaalsContact O-N 3.1Å; R630-R633 PolarHBondContact O-N 2.96Å
634	L	89.6	Confident	89.1	Confident	82 Å²	82	41.7 Å²	41.7	43%	0.429	21%	0.209	S	C	.	.	H	α-helix	trans	-79.1	-43.2	-179.5	176.8	62	0	0	0	112.8	N560 L563 R630 E631 L632	N560-L634 WeakPolarHBondContact CB-O 3.49Å; N560-L634 PolarHBondContact ND2-O 3.32Å; L563-L634 HydrophobicContact CD1-CD1 4.12Å; L563-L634 HydrophobicContact CD1-CD2 4.41Å; L563-L634 HydrophobicContact CD1-CG 3.81Å; R630-L634 WeakPolarHBondContact O-CB 3.48Å; R630-L634 PolarHBondContact O-N 2.68Å; E631-L634 PolarHBondContact O-N 3.29Å; L632-L634 VanDerWaalsContact C-N 3.28Å; L632-L634 PolarHBondContact O-N 3.18Å
635	W	90.5	Very high	89.2	Confident	22 Å²	22	46.3 Å²	46.3	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-90.8	-37.8	-174.6	-75.8	88.6	0	0	0	113.5	L559 N560 L563 L565 I598 I601 E631	L559-W635 CarbonylContact C-O 3.6Å; L559-W635 VanDerWaalsContact CA-O 3.3Å; L559-W635 WeakPolarHBondContact CA-O 3.43Å; L559-W635 HydrophobicContact CD2-CB 4.34Å; L559-W635 WeakPolarHBondContact CD2-O 3.25Å; N560-W635 PolarHBondContact N-O 3.35Å; L563-W635 HydrophobicContact CB-CD2 4.35Å; L563-W635 HydrophobicContact CB-CE3 3.85Å; L563-W635 HydrophobicContact CB-CH2 3.78Å; L563-W635 HydrophobicContact CB-CZ2 4.27Å; L563-W635 HydrophobicContact CB-CZ3 3.56Å; L563-W635 HydrophobicContact CD1-CD2 3.81Å; L563-W635 HydrophobicContact CD1-CE3 4.13Å; L563-W635 HydrophobicContact CD1-CG 4.16Å; L563-W635 HydrophobicContact CD1-CZ2 4.29Å; L565-W635 HydrophobicContact CD2-CH2 4.44Å; L565-W635 HydrophobicContact CD2-CZ3 3.93Å; I598-W635 HydrophobicContact CD1-CH2 4.43Å; I598-W635 HydrophobicContact CD1-CZ2 3.65Å; I598-W635 HydrophobicContact CG1-CZ2 4.01Å; I598-W635 HydrophobicContact CG2-CD2 4Å; I598-W635 HydrophobicContact CG2-CE3 3.99Å; I598-W635 HydrophobicContact CG2-CH2 3.76Å; I598-W635 HydrophobicContact CG2-CZ2 3.77Å; I598-W635 HydrophobicContact CG2-CZ3 3.87Å; I601-W635 HydrophobicContact CG2-CB 4Å; E631-W635 WeakPolarHBondContact O-CB 3.46Å; E631-W635 VanDerWaalsContact O-CD1 3.28Å; E631-W635 PolarHBondContact O-N 3.34Å; E631-W635 VanDerWaalsContact OE2-CD1 3.25Å; E631-W635 PolarHBondContact OE2-NE1 3.18Å
636	C	90.4	Very high	89.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.237	C	C	.	.			trans	-139.5	67.8	-175.4	-161.6	0	0	0	0	112.1	L559 I601 L632 A638 L639	L559-C636 HydrophobicContact CD2-CB 3.93Å; I601-C636 HydrophobicContact CG2-CB 3.86Å; L632-C636 CarbonylContact O-C 3.38Å; L632-C636 VanDerWaalsContact O-C 3.29Å; L632-C636 PolarHBondContact O-N 3.22Å; C636-A638 PolarHBondContact O-N 3.22Å; C636-L639 HydrophobicContact CB-CD1 4.16Å; C636-L639 PolarHBondContact O-N 2.84Å; C636-L639 VanDerWaalsContact O-N 3.17Å
637	P	87.9	Confident	89.2	Confident	93 Å²	93	47.2 Å²	47.2	60%	0.604	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.7	-178.9	28.2	-36.5	0	0	0	114.6
638	A	88	Confident	89.3	Confident	53 Å²	53	48.8 Å²	48.8	44%	0.438	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.8	175.2	0	0	0	0	0	114.1	L558 C636	L558-A638 HydrophobicContact CD2-CB 4.36Å; L558-A638 HydrophobicContact CG-CB 4.28Å; C636-A638 PolarHBondContact O-N 3.22Å
639	L	88.9	Confident	89	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.275	C	S	.	.	S	Bend	trans	-87.3	127.9	176.2	-70.7	171.3	0	0	0	110.2	L604 Y608 C636 V641 N666	L604-L639 HydrophobicContact CB-CD1 4.15Å; Y608-L639 HydrophobicContact CD2-CD2 3.52Å; Y608-L639 HydrophobicContact CE2-CD2 4.23Å; Y608-L639 HydrophobicContact CG-CD2 4.01Å; C636-L639 HydrophobicContact CB-CD1 4.16Å; C636-L639 PolarHBondContact O-N 2.84Å; C636-L639 VanDerWaalsContact O-N 3.17Å; L639-V641 PolarHBondContact O-N 2.8Å; L639-N666 HydrophobicContact CD2-CB 4.01Å
640	E	90.7	Very high	88.9	Confident	100 Å²	100	57.2 Å²	57.2	47%	0.467	29%	0.291	S	S	.	.			trans	-79.1	114.3	174.6	-67.6	-170.9	170.8	0	0	110.6	H664 N666 V667	E640-H664 IonicContact OE2-CE1 2.81Å; E640-H664 IonicContact OE2-CG 3.87Å; E640-H664 IonicContact OE2-ND1 2.73Å; E640-H664 PolarHBondContact OE2-ND1 2.98Å; E640-N666 PolarHBondContact N-OD1 2.9Å; E640-N666 PolarHBondContact O-N 3.43Å; E640-V667 PolarHBondContact O-N 3.03Å; E640-V667 VanDerWaalsContact O-N 3.08Å
641	V	92.8	Very high	89	Confident	32 Å²	32	52.2 Å²	52.2	19%	0.194	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114	-173.8	-177.1	0	0	0	0	110.8	L632 L639 V667 V669	L632-V641 HydrophobicContact CB-CG2 4.1Å; L632-V641 HydrophobicContact CD1-CG1 3.96Å; L632-V641 HydrophobicContact CD1-CG2 4.01Å; L632-V641 HydrophobicContact CD2-CG2 4.34Å; L632-V641 HydrophobicContact CG-CG2 4.39Å; L639-V641 PolarHBondContact O-N 2.8Å; V641-V667 WeakPolarHBondContact CA-O 3.48Å; V641-V667 HydrophobicContact CG2-CB 4.45Å; V641-V669 HydrophobicContact CG1-CG2 3.69Å
642	L	92.1	Very high	88.8	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.7	173.7	-174.3	59.4	0	0	0	110.5	L654 I658 V663 F665 V667 I668 V669	L642-L654 HydrophobicContact CD1-CD2 4.44Å; L642-I658 HydrophobicContact CD2-CD1 3.65Å; L642-I658 HydrophobicContact CD2-CG1 3.64Å; L642-V663 HydrophobicContact CD1-CG1 4.29Å; L642-V663 HydrophobicContact CD2-CG1 4.19Å; L642-F665 HydrophobicContact CB-CB 3.89Å; L642-F665 HydrophobicContact CB-CG 4.28Å; L642-F665 HydrophobicContact CD2-CB 4.41Å; L642-F665 HydrophobicContact CD2-CD1 3.86Å; L642-F665 HydrophobicContact CD2-CE1 4.35Å; L642-F665 HydrophobicContact CD2-CG 4.08Å; L642-V667 PolarHBondContact N-O 3.35Å; L642-I668 CarbonylContact O-C 3.46Å; L642-I668 WeakPolarHBondContact O-CA 3.45Å; L642-V669 PolarHBondContact O-N 3.26Å
643	I	91.6	Very high	88.6	Confident	51 Å²	51	64.7 Å²	64.7	26%	0.262	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.8	179.4	-51.9	172.4	0	0	0	108.2	L625 V629 Y645	L625-I643 HydrophobicContact CD2-CG2 4.25Å; V629-I643 HydrophobicContact CG1-CD1 3.92Å; V629-I643 HydrophobicContact CG2-CD1 3.83Å; V629-I643 HydrophobicContact CG2-CG1 3.9Å; I643-Y645 PolarHBondContact O-N 2.95Å
644	Y	89.8	Confident	88.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	76.1	174	-163	-97	0	0	0	109.7	R651 L654 I658 V669 L674 D681 L684 F685	Y644-R651 HydrophobicContact CE1-CB 4.32Å; Y644-R651 HydrophobicContact CE1-CG 4.2Å; Y644-R651 HydrophobicContact CE2-CB 4.4Å; Y644-L654 HydrophobicContact CE2-CB 4.41Å; Y644-I658 HydrophobicContact CD2-CD1 4.23Å; Y644-I658 HydrophobicContact CE2-CD1 4.44Å; Y644-V669 PolarHBondContact N-O 3.07Å; Y644-L674 VanDerWaalsContact O-CD1 3.28Å; Y644-L674 WeakPolarHBondContact O-CD1 3.37Å; Y644-D681 HydrophobicContact CE1-CB 4.15Å; Y644-D681 PolarHBondContact OH-OD1 2.92Å; Y644-L684 HydrophobicContact CD2-CD2 4.33Å; Y644-L684 HydrophobicContact CE2-CD2 3.67Å; Y644-F685 HydrophobicContact CD1-CE2 4.36Å; Y644-F685 AromaticContact CD1-CZ 3.99Å; Y644-F685 HydrophobicContact CD1-CZ 3.99Å; Y644-F685 HydrophobicContact CE1-CE2 4.29Å; Y644-F685 HydrophobicContact CE1-CZ 4.27Å; Y644-F685 HydrophobicContact CG-CZ 4.24Å
645	Y	86.3	Confident	88.3	Confident	100 Å²	100	57.1 Å²	57.1	39%	0.392	29%	0.289	S	S	.	.			trans	-140.8	161.6	178.1	-162.5	-92.9	0	0	0	110.1	L625 I643 T671 L674 I970	L625-Y645 HydrophobicContact CD2-CD2 3.72Å; L625-Y645 HydrophobicContact CD2-CE2 4.36Å; L625-Y645 HydrophobicContact CD2-CG 3.88Å; I643-Y645 PolarHBondContact O-N 2.95Å; Y645-T671 HydrophobicContact CD2-CG2 3.94Å; Y645-T671 HydrophobicContact CE2-CG2 4.04Å; Y645-L674 HydrophobicContact CD2-CD1 3.48Å; Y645-L674 VanDerWaalsContact CD2-CD1 3.48Å; Y645-L674 HydrophobicContact CE2-CD1 4.03Å; Y645-L674 HydrophobicContact CG-CD1 4.19Å; Y645-I970 WeakPolarHBondContact OH-CD1 3.28Å
646	G	84.4	Confident	88.2	Confident	23 Å²	23	60.6 Å²	60.6	24%	0.237	31%	0.306	C	S	.	.	S	Bend	trans	122.1	-175.6	-177.6	0	0	0	0	0	113.4	R651	G646-R651 PolarHBondContact O-NH1 2.91Å
647	S	85.3	Confident	88.1	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	32%	0.316	S	S	.	.			trans	-60	166.5	177.4	65.8	0	0	0	0	113.1	E649 E650 R651	S647-E649 PolarHBondContact O-N 3.02Å; S647-E650 VanDerWaalsContact CB-OE2 3.27Å; S647-E650 WeakPolarHBondContact CB-OE2 3.11Å; S647-E650 PolarHBondContact N-OE2 3.46Å; S647-E650 PolarHBondContact O-N 3.28Å; S647-E650 VanDerWaalsContact OG-CD 3.3Å; S647-E650 VanDerWaalsContact OG-CG 3.29Å; S647-E650 WeakPolarHBondContact OG-CG 3.25Å; S647-E650 PolarHBondContact OG-N 2.86Å; S647-E650 VanDerWaalsContact OG-N 3.17Å; S647-E650 PolarHBondContact OG-OE2 3.43Å; S647-R651 WeakPolarHBondContact O-CB 3.38Å; S647-R651 VanDerWaalsContact O-CG 3.31Å; S647-R651 WeakPolarHBondContact O-CG 3.33Å; S647-R651 PolarHBondContact O-N 2.99Å; S647-R651 PolarHBondContact O-NH1 3.44Å
648	V	86	Confident	88.1	Confident	70 Å²	70	58.6 Å²	58.6	42%	0.424	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-27.4	175.9	-178.1	0	0	0	0	111.6	R652	V648-R652 WeakPolarHBondContact O-CB 3.39Å; V648-R652 PolarHBondContact O-N 3.42Å
649	E	86.3	Confident	87.9	Confident	107 Å²	107	59.4 Å²	59.4	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-78.5	-49.3	-179.6	-53.9	-119.2	107.1	0	0	111.5	S647 R651 R652 Y653	S647-E649 PolarHBondContact O-N 3.02Å; E649-R651 VanDerWaalsContact C-N 3.3Å; E649-R651 PolarHBondContact O-N 3.05Å; E649-R652 WeakPolarHBondContact O-CA 3.32Å; E649-R652 WeakPolarHBondContact O-CB 3.16Å; E649-R652 PolarHBondContact O-N 2.87Å; E649-R652 IonicContact OE1-CZ 3.92Å; E649-R652 IonicContact OE1-NH1 2.66Å; E649-R652 PolarHBondContact OE1-NH1 3.48Å; E649-R652 IonicContact OE1-NH2 3.75Å; E649-R652 PolarHBondContact OE1-NH2 2.93Å; E649-Y653 WeakPolarHBondContact O-CD2 3.27Å; E649-Y653 PolarHBondContact O-N 3.24Å; E649-Y653 VanDerWaalsContact O-N 3.11Å
650	E	86.3	Confident	87.7	Confident	77 Å²	77	63.3 Å²	63.3	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-42.9	176.4	-69.7	160.8	136.3	0	0	110.9	S647 R652 Y653 L654	S647-E650 VanDerWaalsContact CB-OE2 3.27Å; S647-E650 WeakPolarHBondContact CB-OE2 3.11Å; S647-E650 PolarHBondContact N-OE2 3.46Å; S647-E650 PolarHBondContact O-N 3.28Å; S647-E650 VanDerWaalsContact OG-CD 3.3Å; S647-E650 VanDerWaalsContact OG-CG 3.29Å; S647-E650 WeakPolarHBondContact OG-CG 3.25Å; S647-E650 PolarHBondContact OG-N 2.86Å; S647-E650 VanDerWaalsContact OG-N 3.17Å; S647-E650 PolarHBondContact OG-OE2 3.43Å; E650-R652 VanDerWaalsContact C-N 3.27Å; E650-R652 PolarHBondContact O-N 3.12Å; E650-Y653 PolarHBondContact O-N 3.38Å; E650-L654 WeakPolarHBondContact O-CG 3.39Å; E650-L654 PolarHBondContact O-N 3.24Å
651	R	88.8	Confident	87.3	Confident	17 Å²	17	61.4 Å²	61.4	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-28.4	174.1	-64.1	-168.1	-33.5	-94.7	9.5	112.9	Y644 G646 S647 E649 K655 N678 D681	Y644-R651 HydrophobicContact CE1-CB 4.32Å; Y644-R651 HydrophobicContact CE1-CG 4.2Å; Y644-R651 HydrophobicContact CE2-CB 4.4Å; G646-R651 PolarHBondContact O-NH1 2.91Å; S647-R651 WeakPolarHBondContact O-CB 3.38Å; S647-R651 VanDerWaalsContact O-CG 3.31Å; S647-R651 WeakPolarHBondContact O-CG 3.33Å; S647-R651 PolarHBondContact O-N 2.99Å; S647-R651 PolarHBondContact O-NH1 3.44Å; E649-R651 VanDerWaalsContact C-N 3.3Å; E649-R651 PolarHBondContact O-N 3.05Å; R651-K655 WeakPolarHBondContact O-CB 3.47Å; R651-K655 PolarHBondContact O-N 3.14Å; R651-N678 PolarHBondContact NH2-ND2 2.99Å; R651-D681 IonicContact CZ-OD2 2.71Å; R651-D681 VanDerWaalsContact CZ-OD2 3.29Å; R651-D681 IonicContact NE-OD2 3.38Å; R651-D681 PolarHBondContact NE-OD2 3.1Å; R651-D681 IonicContact NH2-OD2 2.61Å; R651-D681 PolarHBondContact NH2-OD2 3.28Å
652	R	86.9	Confident	86.7	Confident	133 Å²	133	66 Å²	66	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-41.4	174	-165.5	-170.9	-59.8	123.8	-4.2	111.6	V648 E649 E650 H656	V648-R652 WeakPolarHBondContact O-CB 3.39Å; V648-R652 PolarHBondContact O-N 3.42Å; E649-R652 WeakPolarHBondContact O-CA 3.32Å; E649-R652 WeakPolarHBondContact O-CB 3.16Å; E649-R652 PolarHBondContact O-N 2.87Å; E649-R652 IonicContact OE1-CZ 3.92Å; E649-R652 IonicContact OE1-NH1 2.66Å; E649-R652 PolarHBondContact OE1-NH1 3.48Å; E649-R652 IonicContact OE1-NH2 3.75Å; E649-R652 PolarHBondContact OE1-NH2 2.93Å; E650-R652 VanDerWaalsContact C-N 3.27Å; E650-R652 PolarHBondContact O-N 3.12Å; R652-H656 PolarHBondContact O-N 3.47Å
653	Y	88.1	Confident	86.3	Confident	153 Å²	153	67 Å²	67	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-68.4	-54.3	173.3	-68.7	-70.9	0	0	0	111.3	E649 E650 K655 H656 D657	E649-Y653 WeakPolarHBondContact O-CD2 3.27Å; E649-Y653 PolarHBondContact O-N 3.24Å; E649-Y653 VanDerWaalsContact O-N 3.11Å; E650-Y653 PolarHBondContact O-N 3.38Å; Y653-K655 PolarHBondContact O-N 3.02Å; Y653-K655 VanDerWaalsContact O-N 3.11Å; Y653-H656 WeakPolarHBondContact O-CA 3.27Å; Y653-H656 WeakPolarHBondContact O-CB 3.39Å; Y653-H656 PolarHBondContact O-N 2.96Å; Y653-D657 PolarHBondContact O-N 2.98Å
654	L	87.3	Confident	86	Confident	44 Å²	44	70.3 Å²	70.3	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-51.2	-42.4	177	-70.3	171.7	0	0	0	112.2	L642 Y644 E650 D657 I658	L642-L654 HydrophobicContact CD1-CD2 4.44Å; Y644-L654 HydrophobicContact CE2-CB 4.41Å; E650-L654 WeakPolarHBondContact O-CG 3.39Å; E650-L654 PolarHBondContact O-N 3.24Å; L654-D657 PolarHBondContact O-N 3.4Å; L654-I658 VanDerWaalsContact O-CB 3.31Å; L654-I658 WeakPolarHBondContact O-CB 3.43Å; L654-I658 VanDerWaalsContact O-CD1 3.28Å; L654-I658 WeakPolarHBondContact O-CD1 3.49Å; L654-I658 WeakPolarHBondContact O-CG1 3.34Å; L654-I658 PolarHBondContact O-N 3.21Å
655	K	86.9	Confident	86.1	Confident	36 Å²	36	71.9 Å²	71.9	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-40.8	175.5	174.3	177	177.6	-177.3	0	113.4	R651 Y653 L659 S680 S683 L684	R651-K655 WeakPolarHBondContact O-CB 3.47Å; R651-K655 PolarHBondContact O-N 3.14Å; Y653-K655 PolarHBondContact O-N 3.02Å; Y653-K655 VanDerWaalsContact O-N 3.11Å; K655-L659 HydrophobicContact CG-CD1 3.88Å; K655-L659 WeakPolarHBondContact O-CB 3.35Å; K655-L659 VanDerWaalsContact O-CG 3.23Å; K655-L659 WeakPolarHBondContact O-CG 3.47Å; K655-L659 PolarHBondContact O-N 2.97Å; K655-L659 VanDerWaalsContact O-N 3.11Å; K655-S680 WeakPolarHBondContact CE-O 3.39Å; K655-S680 PolarHBondContact NZ-O 3.41Å; K655-S683 PolarHBondContact NZ-OG 3.21Å; K655-L684 HydrophobicContact CB-CD2 4.28Å; K655-L684 HydrophobicContact CD-CB 4.39Å; K655-L684 HydrophobicContact CG-CB 4.44Å; K655-L684 HydrophobicContact CG-CD1 4.27Å; K655-L684 HydrophobicContact CG-CD2 4.22Å
656	H	86.9	Confident	86.3	Confident	95 Å²	95	67.3 Å²	67.3	44%	0.44	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-49.1	176.6	166.9	-90.2	0	0	0	110	R652 Y653 I658 L659 N660 E662	R652-H656 PolarHBondContact O-N 3.47Å; Y653-H656 WeakPolarHBondContact O-CA 3.27Å; Y653-H656 WeakPolarHBondContact O-CB 3.39Å; Y653-H656 PolarHBondContact O-N 2.96Å; H656-I658 PolarHBondContact O-N 3.21Å; H656-L659 PolarHBondContact O-N 3.36Å; H656-L659 VanDerWaalsContact O-N 3.1Å; H656-N660 PolarHBondContact CE1-ND2 3.08Å; H656-N660 PolarHBondContact NE2-ND2 2.87Å; H656-N660 PolarHBondContact O-N 3.26Å; H656-E662 IonicContact CE1-OE1 2.84Å
657	D	88	Confident	86.8	Confident	41 Å²	41	66.2 Å²	66.2	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-69.5	-36.4	-173.7	-47.9	-20.7	0	0	0	111.5	Y653 L654 G661 E662 V663	Y653-D657 PolarHBondContact O-N 2.98Å; L654-D657 PolarHBondContact O-N 3.4Å; D657-G661 PolarHBondContact O-N 2.86Å; D657-G661 VanDerWaalsContact O-N 3.13Å; D657-E662 HydrophobicContact CB-CB 4.28Å; D657-E662 PolarHBondContact O-N 3.44Å; D657-V663 HydrophobicContact CB-CG2 3.92Å
658	I	88.5	Confident	87.2	Confident	11 Å²	11	64 Å²	64	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-44.5	169.4	-70.9	163.1	0	0	0	111.6	L642 Y644 L654 H656 G661 F665 L684 L688	L642-I658 HydrophobicContact CD2-CD1 3.65Å; L642-I658 HydrophobicContact CD2-CG1 3.64Å; Y644-I658 HydrophobicContact CD2-CD1 4.23Å; Y644-I658 HydrophobicContact CE2-CD1 4.44Å; L654-I658 VanDerWaalsContact O-CB 3.31Å; L654-I658 WeakPolarHBondContact O-CB 3.43Å; L654-I658 VanDerWaalsContact O-CD1 3.28Å; L654-I658 WeakPolarHBondContact O-CD1 3.49Å; L654-I658 WeakPolarHBondContact O-CG1 3.34Å; L654-I658 PolarHBondContact O-N 3.21Å; H656-I658 PolarHBondContact O-N 3.21Å; I658-G661 PolarHBondContact O-N 3.46Å; I658-F665 HydrophobicContact CB-CE1 4.41Å; I658-F665 HydrophobicContact CG1-CE1 4.09Å; I658-F665 HydrophobicContact CG2-CE1 4.02Å; I658-F665 HydrophobicContact CG2-CZ 3.91Å; I658-L684 HydrophobicContact CD1-CD2 4.14Å; I658-L684 HydrophobicContact CG2-CD1 3.98Å; I658-L688 HydrophobicContact CG2-CD1 4.12Å; I658-L688 HydrophobicContact CG2-CD2 3.96Å
659	L	84.9	Confident	87.6	Confident	71 Å²	71	60.7 Å²	60.7	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-75.9	-26.1	-176.4	-74.4	172.9	0	0	0	113.3	K655 H656 L684	K655-L659 HydrophobicContact CG-CD1 3.88Å; K655-L659 WeakPolarHBondContact O-CB 3.35Å; K655-L659 VanDerWaalsContact O-CG 3.23Å; K655-L659 WeakPolarHBondContact O-CG 3.47Å; K655-L659 PolarHBondContact O-N 2.97Å; K655-L659 VanDerWaalsContact O-N 3.11Å; H656-L659 PolarHBondContact O-N 3.36Å; H656-L659 VanDerWaalsContact O-N 3.1Å; L659-L684 HydrophobicContact CD1-CD1 4.25Å; L659-L684 HydrophobicContact CD2-CD1 3.77Å; L659-L684 HydrophobicContact CG-CD1 3.8Å
660	N	84.6	Confident	88	Confident	93 Å²	93	55.6 Å²	55.6	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-83.5	-16.5	174	-68.7	-1.3	0	0	0	112.9	H656 E662	H656-N660 PolarHBondContact CE1-ND2 3.08Å; H656-N660 PolarHBondContact NE2-ND2 2.87Å; H656-N660 PolarHBondContact O-N 3.26Å; N660-E662 HydrophobicContact CB-CG 3.88Å; N660-E662 VanDerWaalsContact CB-OE1 3.32Å; N660-E662 WeakPolarHBondContact CB-OE1 3.26Å; N660-E662 PolarHBondContact ND2-OE1 2.89Å
661	G	81.4	Confident	88.2	Confident	59 Å²	59	52 Å²	52	61%	0.608	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	25.4	-172.9	0	0	0	0	0	113.5	D657 I658 V663	D657-G661 PolarHBondContact O-N 2.86Å; D657-G661 VanDerWaalsContact O-N 3.13Å; I658-G661 PolarHBondContact O-N 3.46Å; G661-V663 VanDerWaalsContact C-N 3.33Å
662	E	80.3	Confident	88.2	Confident	128 Å²	128	51.3 Å²	51.3	60%	0.598	25%	0.254	S	S	*	.			trans	-78	-21.5	177.3	-68.3	178.8	-122.5	0	0	112.1	H656 D657 N660	H656-E662 IonicContact CE1-OE1 2.84Å; D657-E662 HydrophobicContact CB-CB 4.28Å; D657-E662 PolarHBondContact O-N 3.44Å; N660-E662 HydrophobicContact CB-CG 3.88Å; N660-E662 VanDerWaalsContact CB-OE1 3.32Å; N660-E662 WeakPolarHBondContact CB-OE1 3.26Å; N660-E662 PolarHBondContact ND2-OE1 2.89Å
663	V	83.7	Confident	88.2	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.291	25%	0.254	S	S	.	.	S	Bend	trans	-112.6	124.6	173.3	177.5	0	0	0	0	109.4	L642 D657 G661 F665	L642-V663 HydrophobicContact CD1-CG1 4.29Å; L642-V663 HydrophobicContact CD2-CG1 4.19Å; D657-V663 HydrophobicContact CB-CG2 3.92Å; G661-V663 VanDerWaalsContact C-N 3.33Å; V663-F665 HydrophobicContact CG1-CD1 4.28Å; V663-F665 WeakPolarHBondContact O-CD1 3.4Å
664	H	85.7	Confident	88.1	Confident	122 Å²	122	43.2 Å²	43.2	57%	0.565	23%	0.231	S	C	*	.			trans	-83.3	143	167.3	-173.7	-96.7	0	0	0	110	E640	E640-H664 IonicContact OE2-CE1 2.81Å; E640-H664 IonicContact OE2-CG 3.87Å; E640-H664 IonicContact OE2-ND1 2.73Å; E640-H664 PolarHBondContact OE2-ND1 2.98Å
665	F	90.8	Very high	88.1	Confident	32 Å²	32	41.3 Å²	41.3	14%	0.14	22%	0.222	C	C	.	.			trans	-164.7	146.1	179	58.2	-87.3	0	0	0	110.6	P615 L642 I658 V663 I668	P615-F665 HydrophobicContact CB-CD2 4.45Å; P615-F665 HydrophobicContact CB-CE2 3.74Å; L642-F665 HydrophobicContact CB-CB 3.89Å; L642-F665 HydrophobicContact CB-CG 4.28Å; L642-F665 HydrophobicContact CD2-CB 4.41Å; L642-F665 HydrophobicContact CD2-CD1 3.86Å; L642-F665 HydrophobicContact CD2-CE1 4.35Å; L642-F665 HydrophobicContact CD2-CG 4.08Å; I658-F665 HydrophobicContact CB-CE1 4.41Å; I658-F665 HydrophobicContact CG1-CE1 4.09Å; I658-F665 HydrophobicContact CG2-CE1 4.02Å; I658-F665 HydrophobicContact CG2-CZ 3.91Å; V663-F665 HydrophobicContact CG1-CD1 4.28Å; V663-F665 WeakPolarHBondContact O-CD1 3.4Å; F665-I668 HydrophobicContact CD2-CD1 4.18Å; F665-I668 HydrophobicContact CD2-CG1 3.62Å; F665-I668 HydrophobicContact CE2-CD1 3.55Å; F665-I668 HydrophobicContact CE2-CG1 3.53Å; F665-I668 HydrophobicContact CZ-CD1 4.02Å; F665-I668 HydrophobicContact CZ-CG1 4.36Å
666	N	91.1	Very high	88	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-96.4	-37.1	171.6	-56.1	112.8	0	0	0	111.3	E613 H616 L639 E640	E613-N666 WeakPolarHBondContact O-CA 3.33Å; E613-N666 VanDerWaalsContact O-CB 3.31Å; E613-N666 WeakPolarHBondContact O-CB 3.35Å; E613-N666 PolarHBondContact O-ND2 3.3Å; H616-N666 PolarHBondContact CD2-O 3.05Å; H616-N666 PolarHBondContact N-O 3.07Å; L639-N666 HydrophobicContact CD2-CB 4.01Å; E640-N666 PolarHBondContact N-OD1 2.9Å; E640-N666 PolarHBondContact O-N 3.43Å
667	V	94.4	Very high	87.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.2	-172.4	-174.5	0	0	0	0	110.3	L604 H616 I618 E640 V641 L642 V669	L604-V667 HydrophobicContact CD1-CG2 4.22Å; H616-V667 HydrophobicContact CB-CG2 4.39Å; I618-V667 HydrophobicContact CD1-CG1 3.64Å; I618-V667 HydrophobicContact CG1-CG1 3.76Å; E640-V667 PolarHBondContact O-N 3.03Å; E640-V667 VanDerWaalsContact O-N 3.08Å; V641-V667 WeakPolarHBondContact CA-O 3.48Å; V641-V667 HydrophobicContact CG2-CB 4.45Å; L642-V667 PolarHBondContact N-O 3.35Å; V667-V669 HydrophobicContact CG1-CG2 4.2Å
668	I	94.5	Very high	87.2	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	164.6	-56.6	177.6	0	0	0	108.6	H616 L617 I618 L642 F665 F685 L688	H616-I668 PolarHBondContact O-N 2.94Å; L617-I668 CarbonylContact C-O 3.5Å; L617-I668 WeakPolarHBondContact CA-O 3.39Å; L617-I668 HydrophobicContact CD1-CB 3.93Å; L617-I668 HydrophobicContact CD1-CG2 3.92Å; I618-I668 PolarHBondContact N-O 3.39Å; L642-I668 CarbonylContact O-C 3.46Å; L642-I668 WeakPolarHBondContact O-CA 3.45Å; F665-I668 HydrophobicContact CD2-CD1 4.18Å; F665-I668 HydrophobicContact CD2-CG1 3.62Å; F665-I668 HydrophobicContact CE2-CD1 3.55Å; F665-I668 HydrophobicContact CE2-CG1 3.53Å; F665-I668 HydrophobicContact CZ-CD1 4.02Å; F665-I668 HydrophobicContact CZ-CG1 4.36Å; I668-F685 HydrophobicContact CG2-CE1 4.37Å; I668-L688 HydrophobicContact CD1-CD1 3.81Å
669	V	94.7	Very high	86.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.5	168.7	-168.7	0	0	0	0	109	I618 V620 L625 L632 V641 L642 Y644 V667	I618-V669 HydrophobicContact CB-CG1 4.48Å; I618-V669 HydrophobicContact CB-CG2 4.45Å; I618-V669 HydrophobicContact CD1-CG2 4.46Å; I618-V669 WeakPolarHBondContact O-CA 3.31Å; V620-V669 HydrophobicContact CG2-CG1 4.44Å; L625-V669 HydrophobicContact CD1-CG1 3.74Å; L632-V669 HydrophobicContact CD1-CG2 3.89Å; V641-V669 HydrophobicContact CG1-CG2 3.69Å; L642-V669 PolarHBondContact O-N 3.26Å; Y644-V669 PolarHBondContact N-O 3.07Å; V667-V669 HydrophobicContact CG1-CG2 4.2Å
670	T	93.1	Very high	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.7	-178.7	-167.7	0	0	0	0	111	L617 I618 T619 V620 A675 F685	L617-T670 HydrophobicContact CD1-CG2 3.79Å; I618-T670 PolarHBondContact O-N 3.2Å; T619-T670 WeakPolarHBondContact CA-O 3.33Å; T619-T670 HydrophobicContact CG2-CG2 4.29Å; V620-T670 PolarHBondContact N-O 3.42Å; T670-A675 HydrophobicContact CG2-CB 4.23Å; T670-F685 HydrophobicContact CG2-CZ 4.33Å
671	T	91.3	Very high	86.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	155.5	173.5	76.9	0	0	0	0	111.6	V620 L625 Y645 N673 L674 A675	V620-T671 CarbonylContact O-C 3.57Å; V620-T671 VanDerWaalsContact O-CA 3.22Å; V620-T671 WeakPolarHBondContact O-CA 3.21Å; L625-T671 HydrophobicContact CD1-CG2 4.04Å; L625-T671 HydrophobicContact CD2-CG2 4.44Å; Y645-T671 HydrophobicContact CD2-CG2 3.94Å; Y645-T671 HydrophobicContact CE2-CG2 4.04Å; T671-N673 VanDerWaalsContact C-N 3.29Å; T671-N673 PolarHBondContact O-N 2.87Å; T671-L674 PolarHBondContact O-N 3.22Å; T671-L674 WeakPolarHBondContact OG1-CG 3.48Å; T671-L674 PolarHBondContact OG1-N 3.27Å; T671-A675 PolarHBondContact O-N 3.43Å
672	Y	89.1	Confident	87	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-50.7	-48.6	172.7	-77.3	-69.1	0	0	0	112.3	T619 V620 P621 L674 A675 I676 F695 D696 M700 L712	T619-Y672 HydrophobicContact CG2-CD1 3.45Å; T619-Y672 VanDerWaalsContact CG2-CD1 3.45Å; T619-Y672 HydrophobicContact CG2-CD2 4.41Å; T619-Y672 HydrophobicContact CG2-CE1 3.68Å; T619-Y672 HydrophobicContact CG2-CG 3.86Å; V620-Y672 WeakPolarHBondContact O-CD2 3.43Å; V620-Y672 PolarHBondContact O-N 2.83Å; P621-Y672 HydrophobicContact CG-CE2 4.37Å; Y672-L674 VanDerWaalsContact C-N 3.3Å; Y672-L674 PolarHBondContact O-N 3.39Å; Y672-A675 PolarHBondContact O-N 3.36Å; Y672-I676 WeakPolarHBondContact O-CB 3.28Å; Y672-I676 WeakPolarHBondContact O-CD1 3.21Å; Y672-I676 WeakPolarHBondContact O-CG1 3.47Å; Y672-I676 PolarHBondContact O-N 2.96Å; Y672-F695 HydrophobicContact CE1-CD1 4.12Å; Y672-D696 VanDerWaalsContact CE2-O 3.25Å; Y672-D696 WeakPolarHBondContact CE2-O 3.45Å; Y672-D696 PolarHBondContact OH-O 3.44Å; Y672-M700 HydrophobicContact CD2-CE 3.96Å; Y672-M700 HydrophobicContact CD2-SD 3.48Å; Y672-M700 WeakPolarHBondContact CD2-SD 3.1Å; Y672-M700 HydrophobicContact CE2-SD 3.55Å; Y672-M700 VanDerWaalsContact CE2-SD 3.55Å; Y672-M700 HydrophobicContact CG-CE 4.24Å; Y672-M700 HydrophobicContact CG-SD 4.26Å; Y672-L712 HydrophobicContact CD1-CD1 3.7Å; Y672-L712 HydrophobicContact CD1-CD2 4.08Å; Y672-L712 HydrophobicContact CE1-CD1 3.77Å; Y672-L712 HydrophobicContact CE1-CD2 4.43Å
673	N	86.2	Confident	87.2	Confident	95 Å²	95	31.8 Å²	31.8	51%	0.508	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-35.3	-176.4	-64.2	11.8	0	0	0	111.9	T671 G677	T671-N673 VanDerWaalsContact C-N 3.29Å; T671-N673 PolarHBondContact O-N 2.87Å; N673-G677 PolarHBondContact O-N 2.82Å
674	L	87.3	Confident	87.4	Confident	22 Å²	22	29.5 Å²	29.5	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-76.8	-33.1	176.6	-66.5	-179.5	0	0	0	113.3	Y644 Y645 T671 Y672 I676 D681	Y644-L674 VanDerWaalsContact O-CD1 3.28Å; Y644-L674 WeakPolarHBondContact O-CD1 3.37Å; Y645-L674 HydrophobicContact CD2-CD1 3.48Å; Y645-L674 VanDerWaalsContact CD2-CD1 3.48Å; Y645-L674 HydrophobicContact CE2-CD1 4.03Å; Y645-L674 HydrophobicContact CG-CD1 4.19Å; T671-L674 PolarHBondContact O-N 3.22Å; T671-L674 WeakPolarHBondContact OG1-CG 3.48Å; T671-L674 PolarHBondContact OG1-N 3.27Å; Y672-L674 VanDerWaalsContact C-N 3.3Å; Y672-L674 PolarHBondContact O-N 3.39Å; L674-I676 VanDerWaalsContact C-N 3.25Å; L674-I676 PolarHBondContact O-N 3.07Å; L674-D681 WeakPolarHBondContact O-CB 3.27Å
675	A	85.9	Confident	87.6	Confident	4 Å²	4	23.8 Å²	23.8	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-26.5	172.6	0	0	0	0	0	112.9	T619 T670 T671 Y672 R682 L712	T619-A675 HydrophobicContact CG2-CB 4.3Å; T670-A675 HydrophobicContact CG2-CB 4.23Å; T671-A675 PolarHBondContact O-N 3.43Å; Y672-A675 PolarHBondContact O-N 3.36Å; A675-R682 WeakPolarHBondContact O-CG 3.43Å; A675-L712 HydrophobicContact CB-CD2 4.17Å
676	I	84.7	Confident	87.5	Confident	23 Å²	23	28 Å²	28	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-101.8	-35.1	-172.6	-63.8	161.2	0	0	0	113	Y672 L674 R682 R708 H711 L712	Y672-I676 WeakPolarHBondContact O-CB 3.28Å; Y672-I676 WeakPolarHBondContact O-CD1 3.21Å; Y672-I676 WeakPolarHBondContact O-CG1 3.47Å; Y672-I676 PolarHBondContact O-N 2.96Å; L674-I676 VanDerWaalsContact C-N 3.25Å; L674-I676 PolarHBondContact O-N 3.07Å; I676-R682 WeakPolarHBondContact O-CD 3.34Å; I676-R682 PolarHBondContact O-NE 2.92Å; I676-R708 HydrophobicContact CD1-CB 3.96Å; I676-R708 HydrophobicContact CD1-CG 3.71Å; I676-H711 HydrophobicContact CG2-CB 4.41Å; I676-L712 HydrophobicContact CD1-CD1 4.13Å; I676-L712 HydrophobicContact CD1-CD2 4.31Å; I676-L712 HydrophobicContact CD1-CG 4.15Å; I676-L712 HydrophobicContact CG1-CD2 4.07Å; I676-L712 HydrophobicContact CG1-CG 4.1Å
677	G	77.7	Confident	87.4	Confident	36 Å²	36	34.4 Å²	34.4	37%	0.371	18%	0.18	S	C	.	.	S	Bend	trans	-63.1	-89.7	-167.8	0	0	0	0	0	114.7	N673 R682	N673-G677 PolarHBondContact O-N 2.82Å; G677-R682 VanDerWaalsContact O-CZ 3.31Å; G677-R682 PolarHBondContact O-NE 3.11Å; G677-R682 PolarHBondContact O-NH2 3.47Å
678	N	81.6	Confident	87.2	Confident	60 Å²	60	35.3 Å²	35.3	32%	0.321	18%	0.184	S	C	.	.			trans	-73.5	143.4	-169	-64.9	6.5	0	0	0	112.2	R651 S680 D681 R682	R651-N678 PolarHBondContact NH2-ND2 2.99Å; N678-S680 WeakPolarHBondContact CB-OG 3.31Å; N678-S680 PolarHBondContact O-N 2.6Å; N678-D681 HydrophobicContact CB-CB 4.45Å; N678-D681 PolarHBondContact O-N 3.32Å; N678-R682 PolarHBondContact O-N 2.85Å
679	D	81.1	Confident	87	Confident	91 Å²	91	39.3 Å²	39.3	49%	0.487	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-22.6	171.4	-99.4	-67.6	0	0	0	112.5	D681 R682 S683 R686	D679-D681 VanDerWaalsContact C-N 3.28Å; D679-D681 PolarHBondContact O-N 3.22Å; D679-R682 VanDerWaalsContact CG-CZ 3.44Å; D679-R682 VanDerWaalsContact CG-NH2 3.31Å; D679-R682 IonicContact OD1-CZ 3.65Å; D679-R682 IonicContact OD1-NH1 3.51Å; D679-R682 PolarHBondContact OD1-NH1 3.32Å; D679-R682 VanDerWaalsContact OD1-NH1 3.12Å; D679-R682 IonicContact OD1-NH2 3.44Å; D679-R682 IonicContact OD2-CZ 3.67Å; D679-R682 IonicContact OD2-NH1 2.7Å; D679-R682 PolarHBondContact OD2-NH1 3.32Å; D679-R682 IonicContact OD2-NH2 3.29Å; D679-R682 PolarHBondContact OD2-NH2 3.23Å; D679-S683 WeakPolarHBondContact O-CB 3.45Å; D679-S683 PolarHBondContact O-N 2.79Å; D679-S683 PolarHBondContact O-OG 3.4Å; D679-R686 IonicContact OD1-NH2 2.7Å; D679-R686 PolarHBondContact OD1-NH2 3.4Å
680	S	80.6	Confident	87	Confident	47 Å²	47	39.6 Å²	39.6	33%	0.329	21%	0.212	S	C	.	.	H	α-helix	trans	-56.5	-44	166	61.3	0	0	0	0	111.6	K655 N678 S683 L684	K655-S680 WeakPolarHBondContact CE-O 3.39Å; K655-S680 PolarHBondContact NZ-O 3.41Å; N678-S680 WeakPolarHBondContact CB-OG 3.31Å; N678-S680 PolarHBondContact O-N 2.6Å; S680-S683 PolarHBondContact O-OG 2.87Å; S680-L684 PolarHBondContact O-N 3.2Å
681	D	85.7	Confident	87	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.011	23%	0.228	C	C	.	.	H	α-helix	trans	-87	-43	-169.2	-57.2	-15.1	0	0	0	108.7	Y644 R651 L674 N678 D679 S683 L684 F685	Y644-D681 HydrophobicContact CE1-CB 4.15Å; Y644-D681 PolarHBondContact OH-OD1 2.92Å; R651-D681 IonicContact CZ-OD2 2.71Å; R651-D681 VanDerWaalsContact CZ-OD2 3.29Å; R651-D681 IonicContact NE-OD2 3.38Å; R651-D681 PolarHBondContact NE-OD2 3.1Å; R651-D681 IonicContact NH2-OD2 2.61Å; R651-D681 PolarHBondContact NH2-OD2 3.28Å; L674-D681 WeakPolarHBondContact O-CB 3.27Å; N678-D681 HydrophobicContact CB-CB 4.45Å; N678-D681 PolarHBondContact O-N 3.32Å; D679-D681 VanDerWaalsContact C-N 3.28Å; D679-D681 PolarHBondContact O-N 3.22Å; D681-S683 PolarHBondContact O-N 3.4Å; D681-S683 VanDerWaalsContact O-N 3.16Å; D681-L684 WeakPolarHBondContact O-CB 3.38Å; D681-L684 PolarHBondContact O-N 3.15Å; D681-F685 VanDerWaalsContact O-CD2 3.26Å; D681-F685 WeakPolarHBondContact O-CD2 3.4Å; D681-F685 PolarHBondContact O-N 3.04Å
682	R	86.6	Confident	87.1	Confident	45 Å²	45	43.6 Å²	43.6	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-28.7	168.2	-70.7	-175.6	-91.5	126.9	9	113.3	A675 I676 G677 N678 D679 R686 H711	A675-R682 WeakPolarHBondContact O-CG 3.43Å; I676-R682 WeakPolarHBondContact O-CD 3.34Å; I676-R682 PolarHBondContact O-NE 2.92Å; G677-R682 VanDerWaalsContact O-CZ 3.31Å; G677-R682 PolarHBondContact O-NE 3.11Å; G677-R682 PolarHBondContact O-NH2 3.47Å; N678-R682 PolarHBondContact O-N 2.85Å; D679-R682 VanDerWaalsContact CG-CZ 3.44Å; D679-R682 VanDerWaalsContact CG-NH2 3.31Å; D679-R682 IonicContact OD1-CZ 3.65Å; D679-R682 IonicContact OD1-NH1 3.51Å; D679-R682 PolarHBondContact OD1-NH1 3.32Å; D679-R682 VanDerWaalsContact OD1-NH1 3.12Å; D679-R682 IonicContact OD1-NH2 3.44Å; D679-R682 IonicContact OD2-CZ 3.67Å; D679-R682 IonicContact OD2-NH1 2.7Å; D679-R682 PolarHBondContact OD2-NH1 3.32Å; D679-R682 IonicContact OD2-NH2 3.29Å; D679-R682 PolarHBondContact OD2-NH2 3.23Å; R682-R686 WeakPolarHBondContact O-CB 3.42Å; R682-R686 WeakPolarHBondContact O-CG 3.46Å; R682-R686 PolarHBondContact O-N 3.14Å; R682-R686 PolarHBondContact O-NE 2.67Å; R682-H711 WeakPolarHBondContact CD-CD2 3.2Å; R682-H711 PolarHBondContact NH1-NE2 2.99Å
683	S	86.4	Confident	87.4	Confident	30 Å²	30	43.5 Å²	43.5	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-83.8	-11.1	176.2	61.3	0	0	0	0	114.5	K655 D679 S680 D681 K687	K655-S683 PolarHBondContact NZ-OG 3.21Å; D679-S683 WeakPolarHBondContact O-CB 3.45Å; D679-S683 PolarHBondContact O-N 2.79Å; D679-S683 PolarHBondContact O-OG 3.4Å; S680-S683 PolarHBondContact O-OG 2.87Å; D681-S683 PolarHBondContact O-N 3.4Å; D681-S683 VanDerWaalsContact O-N 3.16Å; S683-K687 WeakPolarHBondContact O-CD 3.49Å; S683-K687 VanDerWaalsContact O-CG 3.31Å; S683-K687 WeakPolarHBondContact O-CG 3.33Å
684	L	87.9	Confident	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-78.5	-55.5	170.8	178.6	57.9	0	0	0	110.3	Y644 K655 I658 L659 S680 D681 R686 K687 L688	Y644-L684 HydrophobicContact CD2-CD2 4.33Å; Y644-L684 HydrophobicContact CE2-CD2 3.67Å; K655-L684 HydrophobicContact CB-CD2 4.28Å; K655-L684 HydrophobicContact CD-CB 4.39Å; K655-L684 HydrophobicContact CG-CB 4.44Å; K655-L684 HydrophobicContact CG-CD1 4.27Å; K655-L684 HydrophobicContact CG-CD2 4.22Å; I658-L684 HydrophobicContact CD1-CD2 4.14Å; I658-L684 HydrophobicContact CG2-CD1 3.98Å; L659-L684 HydrophobicContact CD1-CD1 4.25Å; L659-L684 HydrophobicContact CD2-CD1 3.77Å; L659-L684 HydrophobicContact CG-CD1 3.8Å; S680-L684 PolarHBondContact O-N 3.2Å; D681-L684 WeakPolarHBondContact O-CB 3.38Å; D681-L684 PolarHBondContact O-N 3.15Å; L684-R686 PolarHBondContact O-N 3.28Å; L684-K687 PolarHBondContact O-N 2.83Å; L684-L688 HydrophobicContact CD1-CD1 3.8Å; L684-L688 HydrophobicContact CD1-CD2 4.33Å; L684-L688 HydrophobicContact CD1-CG 3.89Å; L684-L688 HydrophobicContact CG-CD1 3.87Å; L684-L688 HydrophobicContact CG-CG 4.35Å; L684-L688 PolarHBondContact O-N 2.89Å
685	F	89.4	Confident	88.1	Confident	2 Å²	2	38 Å²	38	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-70.2	-10.4	-178.6	-53.6	-65.9	0	0	0	114.5	L617 Y644 I668 T670 D681 I690 I715 N716	L617-F685 HydrophobicContact CD1-CD1 4.05Å; L617-F685 HydrophobicContact CD1-CE1 3.68Å; L617-F685 HydrophobicContact CD1-CZ 4.48Å; L617-F685 HydrophobicContact CD2-CD1 4.02Å; L617-F685 HydrophobicContact CD2-CE1 4.43Å; Y644-F685 HydrophobicContact CD1-CE2 4.36Å; Y644-F685 AromaticContact CD1-CZ 3.99Å; Y644-F685 HydrophobicContact CD1-CZ 3.99Å; Y644-F685 HydrophobicContact CE1-CE2 4.29Å; Y644-F685 HydrophobicContact CE1-CZ 4.27Å; Y644-F685 HydrophobicContact CG-CZ 4.24Å; I668-F685 HydrophobicContact CG2-CE1 4.37Å; T670-F685 HydrophobicContact CG2-CZ 4.33Å; D681-F685 VanDerWaalsContact O-CD2 3.26Å; D681-F685 WeakPolarHBondContact O-CD2 3.4Å; D681-F685 PolarHBondContact O-N 3.04Å; F685-I690 HydrophobicContact CD1-CD1 4.48Å; F685-I715 HydrophobicContact CB-CG1 4.16Å; F685-I715 HydrophobicContact CB-CG2 4.38Å; F685-N716 PolarHBondContact O-N 3.15Å
686	R	88.9	Confident	88.4	Confident	119 Å²	119	38.4 Å²	38.4	45%	0.449	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.6	165.8	-83	-178.4	-77.7	-179.5	-4.6	113.7	D679 R682 L684 A714	D679-R686 IonicContact OD1-NH2 2.7Å; D679-R686 PolarHBondContact OD1-NH2 3.4Å; R682-R686 WeakPolarHBondContact O-CB 3.42Å; R682-R686 WeakPolarHBondContact O-CG 3.46Å; R682-R686 PolarHBondContact O-N 3.14Å; R682-R686 PolarHBondContact O-NE 2.67Å; L684-R686 PolarHBondContact O-N 3.28Å; R686-A714 WeakPolarHBondContact CG-O 3.49Å
687	K	88.6	Confident	88.5	Confident	140 Å²	140	37.8 Å²	37.8	61%	0.609	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-35.7	-177.7	-74.3	179.5	178.8	-172.8	0	113.2	S683 L684	S683-K687 WeakPolarHBondContact O-CD 3.49Å; S683-K687 VanDerWaalsContact O-CG 3.31Å; S683-K687 WeakPolarHBondContact O-CG 3.33Å; L684-K687 PolarHBondContact O-N 2.83Å
688	L	89.4	Confident	88.6	Confident	18 Å²	18	36.2 Å²	36.2	9%	0.094	18%	0.181	C	C	.	.	S	Bend	trans	-67.6	129	177.3	-65.9	175.5	0	0	0	110.5	I658 I668 L684 I690	I658-L688 HydrophobicContact CG2-CD1 4.12Å; I658-L688 HydrophobicContact CG2-CD2 3.96Å; I668-L688 HydrophobicContact CD1-CD1 3.81Å; L684-L688 HydrophobicContact CD1-CD1 3.8Å; L684-L688 HydrophobicContact CD1-CD2 4.33Å; L684-L688 HydrophobicContact CD1-CG 3.89Å; L684-L688 HydrophobicContact CG-CD1 3.87Å; L684-L688 HydrophobicContact CG-CG 4.35Å; L684-L688 PolarHBondContact O-N 2.89Å; L688-I690 HydrophobicContact CB-CG1 4.23Å; L688-I690 PolarHBondContact O-N 3.43Å
689	P	90.9	Very high	88.5	Confident	87 Å²	87	36 Å²	36	57%	0.565	18%	0.178	S	C	*	.			trans	-82.6	90.8	172.5	32.6	-31.8	0	0	0	109.5	P615	P615-P689 WeakPolarHBondContact CG-O 3.5Å
690	I	93.7	Very high	88.3	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.5	-175	-67.1	154.8	0	0	0	110.2	P615 L617 F685 L688 Y692 A693 I715 N716 A717 E718	P615-I690 WeakPolarHBondContact O-CA 3.49Å; L617-I690 HydrophobicContact CB-CD1 4.03Å; L617-I690 HydrophobicContact CB-CG1 4.37Å; L617-I690 HydrophobicContact CB-CG2 3.88Å; L617-I690 HydrophobicContact CD2-CD1 3.84Å; F685-I690 HydrophobicContact CD1-CD1 4.48Å; L688-I690 HydrophobicContact CB-CG1 4.23Å; L688-I690 PolarHBondContact O-N 3.43Å; I690-Y692 VanDerWaalsContact CG2-O 3.23Å; I690-Y692 WeakPolarHBondContact CG2-O 3.41Å; I690-A693 HydrophobicContact CG2-CB 4.23Å; I690-I715 HydrophobicContact CD1-CG2 3.58Å; I690-N716 WeakPolarHBondContact CB-O 3.18Å; I690-N716 PolarHBondContact N-O 3.15Å; I690-A717 HydrophobicContact CB-CB 4.1Å; I690-A717 HydrophobicContact CG2-CB 4.02Å; I690-A717 CarbonylContact O-C 3.45Å; I690-A717 VanDerWaalsContact O-CA 3.29Å; I690-A717 WeakPolarHBondContact O-CA 2.98Å; I690-E718 PolarHBondContact O-N 2.92Å
691	K	93.3	Very high	88.4	Confident	80 Å²	80	31.7 Å²	31.7	35%	0.348	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-54.9	178.1	-75.4	-74	165.8	-172.8	0	112.4	I612 P615 E718 H719	I612-K691 HydrophobicContact CG2-CG 4.4Å; P615-K691 PolarHBondContact O-N 3.02Å; K691-E718 WeakPolarHBondContact CD-OE2 3.45Å; K691-E718 WeakPolarHBondContact CE-OE2 3.22Å; K691-E718 IonicContact NZ-OE2 2.71Å; K691-E718 PolarHBondContact NZ-OE2 3.03Å; K691-H719 PolarHBondContact O-N 3.06Å
692	Y	94.4	Very high	88.1	Confident	7 Å²	7	34 Å²	34	3%	0.027	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.8	170.2	-89.7	-92.1	0	0	0	110.5	N580 F603 L607 H616 L617 I690 H719	N580-Y692 WeakPolarHBondContact CA-OH 3.36Å; N580-Y692 WeakPolarHBondContact CB-OH 3.41Å; N580-Y692 WeakPolarHBondContact OD1-CE2 3.3Å; N580-Y692 PolarHBondContact OD1-OH 2.6Å; F603-Y692 AromaticContact CE1-CD1 3.92Å; F603-Y692 HydrophobicContact CE1-CD1 3.92Å; F603-Y692 HydrophobicContact CE1-CD2 4.3Å; F603-Y692 AromaticContact CE1-CE1 3.68Å; F603-Y692 HydrophobicContact CE1-CE1 3.68Å; F603-Y692 HydrophobicContact CE1-CE2 4.07Å; F603-Y692 HydrophobicContact CE1-CG 4.23Å; F603-Y692 AromaticContact CE1-CZ 3.79Å; F603-Y692 AromaticContact CZ-CE1 3.88Å; F603-Y692 HydrophobicContact CZ-CE1 3.88Å; F603-Y692 AromaticContact CZ-CE2 3.93Å; F603-Y692 HydrophobicContact CZ-CE2 3.93Å; F603-Y692 AromaticContact CZ-CZ 3.56Å; L607-Y692 HydrophobicContact CD1-CD2 3.54Å; L607-Y692 HydrophobicContact CD1-CE2 3.67Å; L607-Y692 HydrophobicContact CD1-CG 4.37Å; L607-Y692 HydrophobicContact CD2-CE2 4.48Å; H616-Y692 WeakPolarHBondContact CA-O 3.38Å; L617-Y692 PolarHBondContact N-O 2.82Å; I690-Y692 VanDerWaalsContact CG2-O 3.23Å; I690-Y692 WeakPolarHBondContact CG2-O 3.41Å; Y692-H719 WeakPolarHBondContact CA-O 3.36Å; Y692-H719 HydrophobicContact CD1-CB 3.66Å; Y692-H719 HydrophobicContact CD2-CB 4.17Å; Y692-H719 HydrophobicContact CE1-CB 3.3Å; Y692-H719 HydrophobicContact CE2-CB 3.85Å; Y692-H719 AromaticContact CE2-CD2 3.64Å; Y692-H719 HydrophobicContact CG-CB 4.07Å; Y692-H719 AromaticContact CZ-CD2 3.55Å; Y692-H719 AromaticContact CZ-CG 3.78Å; Y692-H719 PolarHBondContact OH-CD2 2.97Å
693	A	94.8	Very high	87.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113	164.5	0	0	0	0	0	109.7	L617 I690 F695 A717 H719 R720 L721	L617-A693 CarbonylContact O-C 3.59Å; L617-A693 WeakPolarHBondContact O-CA 3.47Å; I690-A693 HydrophobicContact CG2-CB 4.23Å; A693-F695 HydrophobicContact CB-CD2 4.43Å; A693-F695 HydrophobicContact CB-CE2 3.48Å; A693-F695 VanDerWaalsContact CB-CE2 3.48Å; A693-F695 HydrophobicContact CB-CZ 3.72Å; A693-F695 WeakPolarHBondContact O-CD2 3.49Å; A693-F695 WeakPolarHBondContact O-CE2 3.35Å; A693-A717 HydrophobicContact CB-CB 3.56Å; A693-H719 PolarHBondContact N-O 3.17Å; A693-R720 WeakPolarHBondContact O-CA 3.38Å; A693-L721 PolarHBondContact O-N 3.26Å
694	I	95.6	Very high	87.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.4	177.9	-50.9	-175.6	0	0	0	108.2	A600 L604 L617 I618 T619 L721 L723	A600-I694 HydrophobicContact CB-CD1 4.34Å; L604-I694 HydrophobicContact CD1-CD1 3.95Å; L604-I694 HydrophobicContact CD2-CD1 4.18Å; L604-I694 HydrophobicContact CG-CD1 4.09Å; L617-I694 PolarHBondContact O-N 3.11Å; I618-I694 WeakPolarHBondContact CA-O 3.44Å; I618-I694 HydrophobicContact CG1-CB 4.36Å; I618-I694 HydrophobicContact CG1-CD1 4.39Å; I618-I694 HydrophobicContact CG2-CB 4.25Å; I618-I694 HydrophobicContact CG2-CG2 4.41Å; T619-I694 PolarHBondContact N-O 2.64Å; I694-L721 CarbonylContact C-O 3.6Å; I694-L721 WeakPolarHBondContact CA-O 3.43Å; I694-L721 HydrophobicContact CD1-CD2 4.36Å; I694-L721 HydrophobicContact CG1-CB 4.31Å; I694-L721 HydrophobicContact CG1-CD2 4.38Å; I694-L721 HydrophobicContact CG2-CD2 4.38Å; I694-L721 HydrophobicContact CG2-CG 4.42Å; I694-L723 HydrophobicContact CG2-CD1 3.76Å; I694-L723 HydrophobicContact CG2-CG 4.03Å
695	F	93.9	Very high	87.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	109.1	-177.9	-63.1	-83.1	0	0	0	109.1	T619 Y672 A693 L701 L712 I715 R720 L721 L722 L723 F741	T619-F695 HydrophobicContact CG2-CD1 4.33Å; Y672-F695 HydrophobicContact CE1-CD1 4.12Å; A693-F695 HydrophobicContact CB-CD2 4.43Å; A693-F695 HydrophobicContact CB-CE2 3.48Å; A693-F695 VanDerWaalsContact CB-CE2 3.48Å; A693-F695 HydrophobicContact CB-CZ 3.72Å; A693-F695 WeakPolarHBondContact O-CD2 3.49Å; A693-F695 WeakPolarHBondContact O-CE2 3.35Å; F695-L701 HydrophobicContact CB-CD1 4.4Å; F695-L701 HydrophobicContact CG-CD1 4.45Å; F695-L712 HydrophobicContact CE1-CD2 4.11Å; F695-I715 HydrophobicContact CE1-CD1 4.25Å; F695-I715 HydrophobicContact CZ-CD1 4.28Å; F695-R720 HydrophobicContact CE2-CG 4.46Å; F695-L721 PolarHBondContact N-O 2.76Å; F695-L722 HydrophobicContact CB-CD2 3.92Å; F695-L723 PolarHBondContact O-N 2.96Å; F695-F741 HydrophobicContact CD1-CZ 4.34Å; F695-F741 AromaticContact CD2-CE1 3.63Å; F695-F741 HydrophobicContact CD2-CE1 3.63Å; F695-F741 HydrophobicContact CD2-CZ 4.03Å; F695-F741 HydrophobicContact CE1-CZ 4.06Å; F695-F741 AromaticContact CE2-CE1 3.59Å; F695-F741 HydrophobicContact CE2-CE1 3.59Å; F695-F741 AromaticContact CE2-CZ 3.69Å; F695-F741 HydrophobicContact CE2-CZ 3.69Å; F695-F741 HydrophobicContact CG-CE1 4.16Å; F695-F741 HydrophobicContact CG-CZ 4.33Å; F695-F741 HydrophobicContact CZ-CE1 4.12Å; F695-F741 AromaticContact CZ-CZ 3.71Å; F695-F741 HydrophobicContact CZ-CZ 3.71Å
696	D	91.4	Very high	86.9	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.07	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	148.4	179.2	-167.1	26.1	0	0	0	111.4	T619 V620 W628 Y672 G698	T619-D696 PolarHBondContact O-N 3.44Å; V620-D696 HydrophobicContact CB-CB 4.29Å; V620-D696 HydrophobicContact CG1-CB 3.92Å; W628-D696 HydrophobicContact CZ2-CB 4.06Å; W628-D696 PolarHBondContact NE1-OD2 3.07Å; Y672-D696 VanDerWaalsContact CE2-O 3.25Å; Y672-D696 WeakPolarHBondContact CE2-O 3.45Å; Y672-D696 PolarHBondContact OH-O 3.44Å; D696-G698 PolarHBondContact O-N 2.72Å
697	E	85.6	Confident	86.7	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.047	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	54.4	-170.7	-68.2	-68.3	-167.6	0	0	113.6	M592 P621 H699 M700 L723 G725 Q1022	M592-E697 VanDerWaalsContact CE-OE1 3.22Å; M592-E697 WeakPolarHBondContact CE-OE1 3.36Å; P621-E697 HydrophobicContact CG-CB 4.08Å; P621-E697 HydrophobicContact CG-CG 4.29Å; E697-H699 PolarHBondContact O-N 3.37Å; E697-H699 IonicContact OE2-CE1 2.89Å; E697-H699 PolarHBondContact OE2-CE1 2.81Å; E697-H699 IonicContact OE2-ND1 3.55Å; E697-H699 PolarHBondContact OE2-ND1 2.61Å; E697-H699 VanDerWaalsContact OE2-ND1 3.11Å; E697-M700 WeakPolarHBondContact O-CG 3.11Å; E697-M700 PolarHBondContact O-N 3.15Å; E697-L723 WeakPolarHBondContact CA-O 3.22Å; E697-L723 PolarHBondContact N-O 2.84Å; E697-L723 VanDerWaalsContact N-O 3.11Å; E697-G725 PolarHBondContact OE2-N 2.73Å; E697-Q1022 PolarHBondContact OE1-NE2 3.35Å
698	G	81.3	Confident	86.7	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.031	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.2	-2.8	-178.8	0	0	0	0	0	116.4	D696 M700 L701 L723	D696-G698 PolarHBondContact O-N 2.72Å; G698-M700 PolarHBondContact O-N 3.47Å; G698-L701 PolarHBondContact O-N 3.34Å; G698-L723 PolarHBondContact N-O 3.36Å
699	H	77.9	Confident	86.7	Confident	55 Å²	55	34.1 Å²	34.1	26%	0.255	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-60.1	-20.5	164.4	73	-106.1	0	0	0	112.4	E697 L701 K702	E697-H699 PolarHBondContact O-N 3.37Å; E697-H699 IonicContact OE2-CE1 2.89Å; E697-H699 PolarHBondContact OE2-CE1 2.81Å; E697-H699 IonicContact OE2-ND1 3.55Å; E697-H699 PolarHBondContact OE2-ND1 2.61Å; E697-H699 VanDerWaalsContact OE2-ND1 3.11Å; H699-L701 PolarHBondContact O-N 2.81Å; H699-K702 VanDerWaalsContact O-CD 3.26Å; H699-K702 WeakPolarHBondContact O-CD 3.13Å; H699-K702 WeakPolarHBondContact O-CG 3.44Å; H699-K702 PolarHBondContact O-N 3.02Å
700	M	78.9	Confident	86.5	Confident	48 Å²	48	36.8 Å²	36.8	24%	0.236	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-67.2	-8.2	171.4	-63.8	-173.5	72.8	0	0	114.3	P621 Y672 E697 G698 R708	P621-M700 HydrophobicContact CG-SD 4.32Å; Y672-M700 HydrophobicContact CD2-CE 3.96Å; Y672-M700 HydrophobicContact CD2-SD 3.48Å; Y672-M700 WeakPolarHBondContact CD2-SD 3.1Å; Y672-M700 HydrophobicContact CE2-SD 3.55Å; Y672-M700 VanDerWaalsContact CE2-SD 3.55Å; Y672-M700 HydrophobicContact CG-CE 4.24Å; Y672-M700 HydrophobicContact CG-SD 4.26Å; E697-M700 WeakPolarHBondContact O-CG 3.11Å; E697-M700 PolarHBondContact O-N 3.15Å; G698-M700 PolarHBondContact O-N 3.47Å; M700-R708 VanDerWaalsContact O-CD 3.25Å; M700-R708 WeakPolarHBondContact O-CD 3.19Å
701	L	81.3	Confident	86.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-107.5	12.5	-179.2	-77.9	162.4	0	0	0	114.1	F695 G698 H699 N703 Y709 L712 L722 L738 F741	F695-L701 HydrophobicContact CB-CD1 4.4Å; F695-L701 HydrophobicContact CG-CD1 4.45Å; G698-L701 PolarHBondContact O-N 3.34Å; H699-L701 PolarHBondContact O-N 2.81Å; L701-N703 VanDerWaalsContact C-N 3.31Å; L701-N703 PolarHBondContact O-N 2.84Å; L701-Y709 HydrophobicContact CD2-CD2 3.88Å; L701-Y709 HydrophobicContact CD2-CG 4.43Å; L701-L712 HydrophobicContact CD2-CB 4.31Å; L701-L712 HydrophobicContact CD2-CD1 3.65Å; L701-L712 HydrophobicContact CG-CD1 4.28Å; L701-L722 HydrophobicContact CD1-CD2 3.59Å; L701-L738 HydrophobicContact CB-CD2 3.88Å; L701-F741 HydrophobicContact CD1-CD1 4.01Å; L701-F741 HydrophobicContact CD1-CD2 4.36Å; L701-F741 HydrophobicContact CD1-CE1 3.61Å; L701-F741 HydrophobicContact CD1-CE2 3.99Å; L701-F741 HydrophobicContact CD1-CG 4.37Å; L701-F741 HydrophobicContact CD1-CZ 3.6Å; L701-F741 HydrophobicContact CD2-CD2 3.92Å; L701-F741 HydrophobicContact CD2-CE2 3.64Å; L701-F741 HydrophobicContact CD2-CZ 4.09Å; L701-F741 HydrophobicContact CG-CE2 4.48Å
702	K	79	Confident	86.1	Confident	51 Å²	51	34.9 Å²	34.9	22%	0.222	16%	0.164	C	C	.	.			trans	-51.5	-37.1	-178.6	-86.6	167.6	167.6	-94.7	0	115.9	H699 Q729 E734 S737	H699-K702 VanDerWaalsContact O-CD 3.26Å; H699-K702 WeakPolarHBondContact O-CD 3.13Å; H699-K702 WeakPolarHBondContact O-CG 3.44Å; H699-K702 PolarHBondContact O-N 3.02Å; K702-Q729 VanDerWaalsContact NZ-CD 3.3Å; K702-E734 HydrophobicContact CB-CG 3.94Å; K702-E734 WeakPolarHBondContact CE-OE2 3.39Å; K702-E734 HydrophobicContact CG-CB 4.42Å; K702-E734 HydrophobicContact CG-CG 3.93Å; K702-E734 WeakPolarHBondContact CG-OE2 3.47Å; K702-E734 VanDerWaalsContact NZ-CD 3.28Å; K702-E734 IonicContact NZ-OE1 2.67Å; K702-E734 PolarHBondContact NZ-OE1 3.39Å; K702-E734 IonicContact NZ-OE2 3.86Å; K702-E734 PolarHBondContact NZ-OE2 2.79Å; K702-E734 WeakPolarHBondContact O-CA 3.31Å; K702-S737 WeakPolarHBondContact O-CB 3.5Å; K702-S737 PolarHBondContact O-OG 3.03Å
703	N	79.6	Confident	85.9	Confident	52 Å²	52	36.6 Å²	36.6	28%	0.278	17%	0.173	S	C	.	.			trans	-118.4	109.9	-169.1	173.5	6.4	0	0	0	111.4	D66 L701 N705 T706 Y709	D66-N703 PolarHBondContact OD2-ND2 3.02Å; L701-N703 VanDerWaalsContact C-N 3.31Å; L701-N703 PolarHBondContact O-N 2.84Å; N703-N705 PolarHBondContact O-N 3.2Å; N703-N705 WeakPolarHBondContact OD1-CB 3.47Å; N703-N705 PolarHBondContact OD1-N 2.75Å; N703-T706 HydrophobicContact CB-CG2 3.87Å; N703-T706 PolarHBondContact O-N 2.75Å; N703-T706 PolarHBondContact O-OG1 3.29Å; N703-Y709 WeakPolarHBondContact O-CB 3.34Å
704	M	80.8	Confident	85.6	Confident	20 Å²	20	39 Å²	39	10%	0.099	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.6	179.7	64.3	174.8	74.4	0	0	115.5	Y709 S737 T751	M704-Y709 HydrophobicContact CB-CD1 4.06Å; M704-Y709 HydrophobicContact CB-CD2 4.47Å; M704-Y709 HydrophobicContact CB-CE1 3.86Å; M704-Y709 HydrophobicContact CB-CE2 4.27Å; M704-Y709 HydrophobicContact CB-CG 4.38Å; M704-Y709 WeakPolarHBondContact O-CD1 3.18Å; M704-S737 WeakPolarHBondContact CB-OG 3.48Å; M704-S737 VanDerWaalsContact CE-OG 3.27Å; M704-S737 WeakPolarHBondContact CE-OG 3.49Å; M704-S737 PolarHBondContact N-OG 3.5Å; M704-T751 HydrophobicContact SD-CG2 3.92Å
705	N	80.9	Confident	85.3	Confident	81 Å²	81	39.3 Å²	39.3	43%	0.433	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-25.2	179	-66.3	-32.4	0	0	0	112.7	N703 R710	N703-N705 PolarHBondContact O-N 3.2Å; N703-N705 WeakPolarHBondContact OD1-CB 3.47Å; N703-N705 PolarHBondContact OD1-N 2.75Å; N705-R710 PolarHBondContact O-NE 3.29Å; N705-R710 VanDerWaalsContact O-NE 3.11Å; N705-R710 PolarHBondContact O-NH2 2.69Å
706	T	84.8	Confident	85.2	Confident	31 Å²	31	43.3 Å²	43.3	19%	0.19	22%	0.216	C	C	.	.	S	Bend	trans	-60.1	143.6	-175.1	61.3	0	0	0	0	112.6	N703 R708 Y709 R710	N703-T706 HydrophobicContact CB-CG2 3.87Å; N703-T706 PolarHBondContact O-N 2.75Å; N703-T706 PolarHBondContact O-OG1 3.29Å; T706-R708 PolarHBondContact O-N 3.22Å; T706-Y709 PolarHBondContact O-N 2.86Å; T706-Y709 VanDerWaalsContact O-N 3.13Å; T706-Y709 VanDerWaalsContact OG1-CB 3.28Å; T706-Y709 WeakPolarHBondContact OG1-CB 3.41Å; T706-Y709 PolarHBondContact OG1-N 2.99Å; T706-R710 WeakPolarHBondContact O-CG 3.2Å; T706-R710 PolarHBondContact O-N 3.11Å
707	L	85.4	Confident	85.2	Confident	107 Å²	107	43.5 Å²	43.5	56%	0.56	22%	0.219	S	C	*	.	H	α-helix	trans	-56.6	-37.2	172.4	-170	66.1	0	0	0	111.4	R710 H711	L707-R710 PolarHBondContact O-N 2.9Å; L707-H711 WeakPolarHBondContact CD1-NE2 3.17Å; L707-H711 WeakPolarHBondContact O-CB 3.41Å; L707-H711 PolarHBondContact O-N 2.79Å
708	R	87.5	Confident	85.4	Confident	57 Å²	57	47.5 Å²	47.5	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-50.1	-59.1	170	170.9	172.8	-68.6	137.4	0.5	111.9	E63 I676 M700 T706 R710 H711 L712	E63-R708 IonicContact OE1-CZ 3.14Å; E63-R708 VanDerWaalsContact OE1-CZ 3.23Å; E63-R708 IonicContact OE1-NH1 3.05Å; E63-R708 PolarHBondContact OE1-NH1 3.05Å; E63-R708 IonicContact OE1-NH2 2.87Å; E63-R708 PolarHBondContact OE1-NH2 3.35Å; I676-R708 HydrophobicContact CD1-CB 3.96Å; I676-R708 HydrophobicContact CD1-CG 3.71Å; M700-R708 VanDerWaalsContact O-CD 3.25Å; M700-R708 WeakPolarHBondContact O-CD 3.19Å; T706-R708 PolarHBondContact O-N 3.22Å; R708-R710 PolarHBondContact O-N 2.65Å; R708-H711 PolarHBondContact O-N 2.92Å; R708-L712 HydrophobicContact CG-CD1 3.87Å; R708-L712 WeakPolarHBondContact O-CB 3.32Å; R708-L712 WeakPolarHBondContact O-CD1 3.25Å; R708-L712 WeakPolarHBondContact O-CG 3.48Å; R708-L712 PolarHBondContact O-N 2.83Å
709	Y	88.9	Confident	85.9	Confident	9 Å²	9	48 Å²	48	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-48	178.2	-178.8	-82.3	0	0	0	111.7	L701 N703 M704 T706 H711 L712 M713 S737 N740 F741	L701-Y709 HydrophobicContact CD2-CD2 3.88Å; L701-Y709 HydrophobicContact CD2-CG 4.43Å; N703-Y709 WeakPolarHBondContact O-CB 3.34Å; M704-Y709 HydrophobicContact CB-CD1 4.06Å; M704-Y709 HydrophobicContact CB-CD2 4.47Å; M704-Y709 HydrophobicContact CB-CE1 3.86Å; M704-Y709 HydrophobicContact CB-CE2 4.27Å; M704-Y709 HydrophobicContact CB-CG 4.38Å; M704-Y709 WeakPolarHBondContact O-CD1 3.18Å; T706-Y709 PolarHBondContact O-N 2.86Å; T706-Y709 VanDerWaalsContact O-N 3.13Å; T706-Y709 VanDerWaalsContact OG1-CB 3.28Å; T706-Y709 WeakPolarHBondContact OG1-CB 3.41Å; T706-Y709 PolarHBondContact OG1-N 2.99Å; Y709-H711 VanDerWaalsContact C-N 3.33Å; Y709-H711 PolarHBondContact O-N 2.98Å; Y709-L712 PolarHBondContact O-N 3.31Å; Y709-M713 HydrophobicContact CD1-CB 4.44Å; Y709-M713 HydrophobicContact CE1-CB 4.33Å; Y709-M713 HydrophobicContact CE1-CG 4.36Å; Y709-M713 WeakPolarHBondContact O-CB 3.34Å; Y709-M713 PolarHBondContact O-N 2.83Å; Y709-S737 WeakPolarHBondContact CE2-O 3.38Å; Y709-S737 PolarHBondContact OH-O 3.4Å; Y709-S737 VanDerWaalsContact OH-O 3.06Å; Y709-N740 WeakPolarHBondContact OH-CB 3.4Å; Y709-N740 PolarHBondContact OH-ND2 3.46Å; Y709-F741 HydrophobicContact CD2-CD2 4.21Å; Y709-F741 HydrophobicContact CE2-CB 3.86Å; Y709-F741 AromaticContact CE2-CD2 3.9Å; Y709-F741 HydrophobicContact CE2-CD2 3.9Å; Y709-F741 HydrophobicContact CE2-CG 4.3Å; Y709-F741 PolarHBondContact OH-N 2.89Å
710	R	87.4	Confident	86.6	Confident	142 Å²	142	46 Å²	46	54%	0.536	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-39	-177.4	-67	174.5	-177	173.8	3.5	112.9	N705 T706 L707 R708 A714	N705-R710 PolarHBondContact O-NE 3.29Å; N705-R710 VanDerWaalsContact O-NE 3.11Å; N705-R710 PolarHBondContact O-NH2 2.69Å; T706-R710 WeakPolarHBondContact O-CG 3.2Å; T706-R710 PolarHBondContact O-N 3.11Å; L707-R710 PolarHBondContact O-N 2.9Å; R708-R710 PolarHBondContact O-N 2.65Å; R710-A714 PolarHBondContact O-N 3.05Å
711	H	88.9	Confident	87.3	Confident	47 Å²	47	43.9 Å²	43.9	22%	0.218	22%	0.219	C	C	.	.	H	α-helix	trans	-78.8	-36.8	179.5	-71.9	-15.9	0	0	0	113.3	I676 R682 L707 R708 Y709 A714	I676-H711 HydrophobicContact CG2-CB 4.41Å; R682-H711 WeakPolarHBondContact CD-CD2 3.2Å; R682-H711 PolarHBondContact NH1-NE2 2.99Å; L707-H711 WeakPolarHBondContact CD1-NE2 3.17Å; L707-H711 WeakPolarHBondContact O-CB 3.41Å; L707-H711 PolarHBondContact O-N 2.79Å; R708-H711 PolarHBondContact O-N 2.92Å; Y709-H711 VanDerWaalsContact C-N 3.33Å; Y709-H711 PolarHBondContact O-N 2.98Å; H711-A714 PolarHBondContact O-N 3.37Å
712	L	90.6	Very high	87.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-35.2	173.3	-62.5	166.9	0	0	0	111.7	T619 Y672 A675 I676 F695 L701 R708 Y709 A714 I715 F741	T619-L712 HydrophobicContact CG2-CD2 4.33Å; Y672-L712 HydrophobicContact CD1-CD1 3.7Å; Y672-L712 HydrophobicContact CD1-CD2 4.08Å; Y672-L712 HydrophobicContact CE1-CD1 3.77Å; Y672-L712 HydrophobicContact CE1-CD2 4.43Å; A675-L712 HydrophobicContact CB-CD2 4.17Å; I676-L712 HydrophobicContact CD1-CD1 4.13Å; I676-L712 HydrophobicContact CD1-CD2 4.31Å; I676-L712 HydrophobicContact CD1-CG 4.15Å; I676-L712 HydrophobicContact CG1-CD2 4.07Å; I676-L712 HydrophobicContact CG1-CG 4.1Å; F695-L712 HydrophobicContact CE1-CD2 4.11Å; L701-L712 HydrophobicContact CD2-CB 4.31Å; L701-L712 HydrophobicContact CD2-CD1 3.65Å; L701-L712 HydrophobicContact CG-CD1 4.28Å; R708-L712 HydrophobicContact CG-CD1 3.87Å; R708-L712 WeakPolarHBondContact O-CB 3.32Å; R708-L712 WeakPolarHBondContact O-CD1 3.25Å; R708-L712 WeakPolarHBondContact O-CG 3.48Å; R708-L712 PolarHBondContact O-N 2.83Å; Y709-L712 PolarHBondContact O-N 3.31Å; L712-A714 PolarHBondContact O-N 3.25Å; L712-I715 HydrophobicContact CD2-CD1 4.01Å; L712-I715 WeakPolarHBondContact O-CB 3.21Å; L712-I715 WeakPolarHBondContact O-CG1 3.14Å; L712-I715 PolarHBondContact O-N 3.41Å; L712-F741 HydrophobicContact CB-CE2 3.85Å; L712-F741 HydrophobicContact CB-CZ 4.13Å
713	M	88.7	Confident	88.5	Confident	43 Å²	43	41.5 Å²	41.5	21%	0.212	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-29.4	174.6	-174.2	64.4	158.4	0	0	112.4	Y709 I715 R720 N740 F741 P744	Y709-M713 HydrophobicContact CD1-CB 4.44Å; Y709-M713 HydrophobicContact CE1-CB 4.33Å; Y709-M713 HydrophobicContact CE1-CG 4.36Å; Y709-M713 WeakPolarHBondContact O-CB 3.34Å; Y709-M713 PolarHBondContact O-N 2.83Å; M713-I715 VanDerWaalsContact C-N 3.29Å; M713-I715 PolarHBondContact O-N 3.44Å; M713-R720 PolarHBondContact O-NH2 3.24Å; M713-R720 PolarHBondContact SD-NH1 2.94Å; M713-N740 WeakPolarHBondContact CE-OD1 3.17Å; M713-F741 HydrophobicContact SD-CD2 4.19Å; M713-P744 HydrophobicContact CE-CB 3.62Å; M713-P744 HydrophobicContact CE-CG 3.83Å; M713-P744 HydrophobicContact SD-CB 4.26Å; M713-P744 HydrophobicContact SD-CG 3.9Å
714	A	88.9	Confident	88.8	Confident	49 Å²	49	39.2 Å²	39.2	41%	0.405	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	178.3	0	0	0	0	0	114.6	R686 R710 H711 L712	R686-A714 WeakPolarHBondContact CG-O 3.49Å; R710-A714 PolarHBondContact O-N 3.05Å; H711-A714 PolarHBondContact O-N 3.37Å; L712-A714 PolarHBondContact O-N 3.25Å
715	I	90.4	Very high	88.6	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.041	20%	0.197	C	C	.	.	S	Bend	trans	-70.9	128.1	173.9	-63.7	173.9	0	0	0	109.6	L617 F685 I690 F695 L712 M713 A717 R720	L617-I715 HydrophobicContact CD2-CD1 4.13Å; L617-I715 HydrophobicContact CD2-CG2 4.08Å; F685-I715 HydrophobicContact CB-CG1 4.16Å; F685-I715 HydrophobicContact CB-CG2 4.38Å; I690-I715 HydrophobicContact CD1-CG2 3.58Å; F695-I715 HydrophobicContact CE1-CD1 4.25Å; F695-I715 HydrophobicContact CZ-CD1 4.28Å; L712-I715 HydrophobicContact CD2-CD1 4.01Å; L712-I715 WeakPolarHBondContact O-CB 3.21Å; L712-I715 WeakPolarHBondContact O-CG1 3.14Å; L712-I715 PolarHBondContact O-N 3.41Å; M713-I715 VanDerWaalsContact C-N 3.29Å; M713-I715 PolarHBondContact O-N 3.44Å; I715-A717 HydrophobicContact CG2-CB 4.37Å; I715-A717 PolarHBondContact O-N 2.99Å; I715-R720 PolarHBondContact O-NH2 3.03Å
716	N	90.1	Very high	88.1	Confident	84 Å²	84	35.8 Å²	35.8	45%	0.449	18%	0.182	S	C	.	.			trans	-78.8	80.7	-178.2	-176.8	30.3	0	0	0	110.9	F685 I690	F685-N716 PolarHBondContact O-N 3.15Å; I690-N716 WeakPolarHBondContact CB-O 3.18Å; I690-N716 PolarHBondContact N-O 3.15Å
717	A	92.2	Very high	87	Confident	17 Å²	17	35 Å²	35	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.6	-178.3	0	0	0	0	0	111.9	I690 A693 I715 R720	I690-A717 HydrophobicContact CB-CB 4.1Å; I690-A717 HydrophobicContact CG2-CB 4.02Å; I690-A717 CarbonylContact O-C 3.45Å; I690-A717 VanDerWaalsContact O-CA 3.29Å; I690-A717 WeakPolarHBondContact O-CA 2.98Å; A693-A717 HydrophobicContact CB-CB 3.56Å; I715-A717 HydrophobicContact CG2-CB 4.37Å; I715-A717 PolarHBondContact O-N 2.99Å; A717-R720 HydrophobicContact CB-CG 4.45Å
718	E	90.2	Very high	85.8	Confident	93 Å²	93	31.4 Å²	31.4	44%	0.435	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-44.7	179.5	-171.2	172.9	-179.7	0	0	111.4	I690 K691	I690-E718 PolarHBondContact O-N 2.92Å; K691-E718 WeakPolarHBondContact CD-OE2 3.45Å; K691-E718 WeakPolarHBondContact CE-OE2 3.22Å; K691-E718 IonicContact NZ-OE2 2.71Å; K691-E718 PolarHBondContact NZ-OE2 3.03Å
719	H	91.3	Very high	84.4	Confident	15 Å²	15	31.2 Å²	31.2	7%	0.069	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.1	176.3	-60.4	-27.8	0	0	0	112.2	K583 K691 Y692 A693	K583-H719 VanDerWaalsContact CA-CE1 3.48Å; K583-H719 WeakPolarHBondContact CA-CE1 3.31Å; K583-H719 PolarHBondContact O-CE1 3.36Å; K691-H719 PolarHBondContact O-N 3.06Å; Y692-H719 WeakPolarHBondContact CA-O 3.36Å; Y692-H719 HydrophobicContact CD1-CB 3.66Å; Y692-H719 HydrophobicContact CD2-CB 4.17Å; Y692-H719 HydrophobicContact CE1-CB 3.3Å; Y692-H719 HydrophobicContact CE2-CB 3.85Å; Y692-H719 AromaticContact CE2-CD2 3.64Å; Y692-H719 HydrophobicContact CG-CB 4.07Å; Y692-H719 AromaticContact CZ-CD2 3.55Å; Y692-H719 AromaticContact CZ-CG 3.78Å; Y692-H719 PolarHBondContact OH-CD2 2.97Å; A693-H719 PolarHBondContact N-O 3.17Å
720	R	93	Very high	82.8	Confident	12 Å²	12	33 Å²	33	5%	0.045	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.4	-175	-65.1	178.2	175.6	-169.9	-3.2	110.9	S585 G586 A693 F695 M713 I715 A717 F741	S585-R720 VanDerWaalsContact CA-O 3.3Å; S585-R720 WeakPolarHBondContact CA-O 3.08Å; S585-R720 WeakPolarHBondContact CB-O 3.26Å; S585-R720 PolarHBondContact OG-N 3.05Å; S585-R720 PolarHBondContact OG-O 3.28Å; G586-R720 PolarHBondContact N-O 3.27Å; G586-R720 VanDerWaalsContact N-O 3.13Å; A693-R720 WeakPolarHBondContact O-CA 3.38Å; F695-R720 HydrophobicContact CE2-CG 4.46Å; M713-R720 PolarHBondContact O-NH2 3.24Å; M713-R720 PolarHBondContact SD-NH1 2.94Å; I715-R720 PolarHBondContact O-NH2 3.03Å; A717-R720 HydrophobicContact CB-CG 4.45Å; R720-F741 WeakPolarHBondContact CD-O 3.5Å; R720-F741 PolarHBondContact NH1-O 3.44Å
721	L	93.5	Very high	81.7	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.5	178.3	176.1	57.9	0	0	0	109.6	L576 F603 A693 I694 F695 L723	L576-L721 HydrophobicContact CD1-CD2 4.49Å; L576-L721 HydrophobicContact CD2-CD1 3.68Å; L576-L721 HydrophobicContact CD2-CD2 4.16Å; F603-L721 HydrophobicContact CD1-CD2 4.48Å; A693-L721 PolarHBondContact O-N 3.26Å; I694-L721 CarbonylContact C-O 3.6Å; I694-L721 WeakPolarHBondContact CA-O 3.43Å; I694-L721 HydrophobicContact CD1-CD2 4.36Å; I694-L721 HydrophobicContact CG1-CB 4.31Å; I694-L721 HydrophobicContact CG1-CD2 4.38Å; I694-L721 HydrophobicContact CG2-CD2 4.38Å; I694-L721 HydrophobicContact CG2-CG 4.42Å; F695-L721 PolarHBondContact N-O 2.76Å; L721-L723 HydrophobicContact CD1-CD2 4.18Å; L721-L723 HydrophobicContact CD2-CD2 4.08Å; L721-L723 HydrophobicContact CG-CD2 3.87Å
722	L	92.4	Very high	80.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.6	172.7	-74.8	162	0	0	0	109.7	G586 I587 L588 F695 L701 L738 F741 I742	G586-L722 PolarHBondContact O-N 3.39Å; I587-L722 CarbonylContact C-O 3.57Å; I587-L722 WeakPolarHBondContact CA-O 3.09Å; I587-L722 HydrophobicContact CB-CB 4.4Å; I587-L722 HydrophobicContact CD1-CD1 4.4Å; I587-L722 HydrophobicContact CG1-CB 4.31Å; I587-L722 HydrophobicContact CG1-CD1 4.24Å; I587-L722 HydrophobicContact CG2-CB 3.99Å; L588-L722 PolarHBondContact N-O 2.94Å; F695-L722 HydrophobicContact CB-CD2 3.92Å; L701-L722 HydrophobicContact CD1-CD2 3.59Å; L722-L738 HydrophobicContact CD1-CB 4.45Å; L722-L738 HydrophobicContact CD1-CD2 3.97Å; L722-F741 HydrophobicContact CD1-CD1 4.27Å; L722-F741 HydrophobicContact CD2-CD1 4.26Å; L722-F741 HydrophobicContact CD2-CE1 4.26Å; L722-F741 HydrophobicContact CG-CD1 4.42Å; L722-I742 HydrophobicContact CD1-CD1 3.76Å; L722-I742 HydrophobicContact CD1-CG1 3.5Å; L722-I742 VanDerWaalsContact CD1-CG1 3.5Å; L722-I742 HydrophobicContact CG-CG1 4.49Å
723	L	91.8	Very high	79.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	170	-46.9	177.7	0	0	0	107.7	L588 K596 A600 W628 I694 F695 E697 G698 L721	L588-L723 HydrophobicContact CB-CD2 3.79Å; L588-L723 HydrophobicContact CD2-CD2 4.15Å; K596-L723 HydrophobicContact CD-CB 4.36Å; A600-L723 HydrophobicContact CB-CD1 4.18Å; W628-L723 HydrophobicContact CH2-CD1 3.57Å; W628-L723 HydrophobicContact CZ2-CD1 3.62Å; I694-L723 HydrophobicContact CG2-CD1 3.76Å; I694-L723 HydrophobicContact CG2-CG 4.03Å; F695-L723 PolarHBondContact O-N 2.96Å; E697-L723 WeakPolarHBondContact CA-O 3.22Å; E697-L723 PolarHBondContact N-O 2.84Å; E697-L723 VanDerWaalsContact N-O 3.11Å; G698-L723 PolarHBondContact N-O 3.36Å; L721-L723 HydrophobicContact CD1-CD2 4.18Å; L721-L723 HydrophobicContact CD2-CD2 4.08Å; L721-L723 HydrophobicContact CG-CD2 3.87Å
724	T	87.3	Confident	78.9	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	16%	0.164	C	C	.	.			trans	-134.3	135.5	177.4	-179.8	0	0	0	0	111.7	I587 L588 A589 K596 T726 L728	I587-T724 HydrophobicContact CG2-CG2 3.96Å; L588-T724 PolarHBondContact O-N 3.28Å; A589-T724 HydrophobicContact CB-CG2 3.55Å; K596-T724 VanDerWaalsContact CE-C 3.48Å; K596-T724 WeakPolarHBondContact CE-O 3.47Å; K596-T724 PolarHBondContact NZ-O 3.23Å; T724-T726 PolarHBondContact OG1-N 2.95Å; T724-T726 PolarHBondContact OG1-O 3.48Å; T724-T726 PolarHBondContact OG1-OG1 3.36Å; T724-L728 HydrophobicContact CG2-CD2 4.26Å
725	G	76.3	Confident	78.1	Confident	11 Å²	11	28.2 Å²	28.2	11%	0.113	15%	0.15	C	C	.	.	S	Bend	trans	-81.3	-32	168.3	0	0	0	0	0	113.5	E697	E697-G725 PolarHBondContact OE2-N 2.73Å
726	T	70.8	Confident	77.3	Confident	18 Å²	18	28 Å²	28	11%	0.11	15%	0.148	C	C	.	.	S	Bend	trans	-91	151.9	-177.6	55.2	0	0	0	0	111.8	T724 Y1018	T724-T726 PolarHBondContact OG1-N 2.95Å; T724-T726 PolarHBondContact OG1-O 3.48Å; T724-T726 PolarHBondContact OG1-OG1 3.36Å; T726-Y1018 HydrophobicContact CG2-CG 4.45Å
727	P	60.8	Low	76.9	Confident	14 Å²	14	24 Å²	24	9%	0.091	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-57.7	150.1	167.4	-11.2	23.6	0	0	0	110.5	Q729 Y1018 E1062	P727-Q729 PolarHBondContact O-N 3.28Å; P727-Y1018 HydrophobicContact CG-CD1 4.47Å; P727-Y1018 HydrophobicContact CG-CE1 3.74Å; P727-E1062 HydrophobicContact CB-CG 4.47Å; P727-E1062 HydrophobicContact CG-CG 4.12Å; P727-E1062 WeakPolarHBondContact CG-OE1 3.06Å
728	L	61.3	Low	76.3	Confident	33 Å²	33	23.4 Å²	23.4	17%	0.173	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-70.3	117.3	161.8	-53.4	-165.6	0	0	0	107	I587 T724 L735 L738 I785	I587-L728 HydrophobicContact CD1-CD1 3.82Å; T724-L728 HydrophobicContact CG2-CD2 4.26Å; L728-L735 HydrophobicContact CB-CD1 4.44Å; L728-L735 HydrophobicContact CD1-CD1 3.9Å; L728-L738 HydrophobicContact CD1-CD1 3.86Å; L728-L738 HydrophobicContact CD2-CD1 3.46Å; L728-L738 VanDerWaalsContact CD2-CD1 3.46Å; L728-L738 HydrophobicContact CG-CD1 4.22Å; L728-I785 HydrophobicContact CD1-CD1 3.77Å
729	Q	57.6	Low	75.7	Confident	52 Å²	52	19 Å²	19	24%	0.243	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-70.6	147.9	-177.9	-67.2	173.1	-9.5	0	0	108.8	K702 P727 N731	K702-Q729 VanDerWaalsContact NZ-CD 3.3Å; P727-Q729 PolarHBondContact O-N 3.28Å; Q729-N731 PolarHBondContact O-N 3.49Å
730	N	54.8	Low	75.3	Confident	46 Å²	46	18.5 Å²	18.5	25%	0.246	10%	0.099	C	C	.	.	S	Bend	trans	-70	18.4	-172.9	-62.4	-83.4	0	0	0	114.5	L732 K778 M1065	N730-L732 PolarHBondContact O-N 3.44Å; N730-K778 VanDerWaalsContact OD1-CE 3.28Å; N730-K778 WeakPolarHBondContact OD1-CE 3.16Å; N730-M1065 HydrophobicContact CB-CE 3.48Å; N730-M1065 VanDerWaalsContact CB-CE 3.48Å; N730-M1065 HydrophobicContact CB-SD 3.68Å; N730-M1065 VanDerWaalsContact CG-CE 3.49Å; N730-M1065 VanDerWaalsContact ND2-CB 3.34Å; N730-M1065 WeakPolarHBondContact ND2-CB 3.31Å; N730-M1065 PolarHBondContact ND2-SD 2.85Å
731	N	64.1	Low	75	Confident	72 Å²	72	18 Å²	18	39%	0.385	10%	0.097	S	C	.	.			trans	-72	108.3	165.2	179.5	2.4	0	0	0	108.8	Q729 L733 E734 L735	Q729-N731 PolarHBondContact O-N 3.49Å; N731-L733 PolarHBondContact O-N 3.23Å; N731-L733 VanDerWaalsContact O-N 3.13Å; N731-L733 WeakPolarHBondContact OD1-CB 3.27Å; N731-L733 PolarHBondContact OD1-N 3.19Å; N731-E734 HydrophobicContact CB-CB 4.37Å; N731-E734 HydrophobicContact CB-CG 3.99Å; N731-E734 WeakPolarHBondContact CB-OE1 3.25Å; N731-E734 WeakPolarHBondContact ND2-CG 3.45Å; N731-E734 PolarHBondContact ND2-OE1 3.35Å; N731-E734 WeakPolarHBondContact O-CB 3.41Å; N731-E734 PolarHBondContact O-N 3.2Å; N731-L735 PolarHBondContact O-N 3Å
732	L	64.2	Low	74.6	Confident	19 Å²	19	17.8 Å²	17.8	10%	0.099	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-22.9	-174.4	-171	49.5	0	0	0	113	N730 L735 M736 F758 I774 A777	N730-L732 PolarHBondContact O-N 3.44Å; L732-L735 HydrophobicContact CD1-CB 4.33Å; L732-L735 HydrophobicContact CD1-CD2 3.88Å; L732-M736 HydrophobicContact CD1-CG 4.26Å; L732-M736 WeakPolarHBondContact O-CB 3.26Å; L732-M736 VanDerWaalsContact O-CG 3.31Å; L732-M736 WeakPolarHBondContact O-CG 3.19Å; L732-M736 PolarHBondContact O-N 3.2Å; L732-F758 HydrophobicContact CD2-CD1 3.33Å; L732-F758 HydrophobicContact CD2-CE1 3.23Å; L732-F758 HydrophobicContact CD2-CE2 4.48Å; L732-F758 HydrophobicContact CD2-CG 4.02Å; L732-F758 HydrophobicContact CD2-CZ 3.87Å; L732-F758 HydrophobicContact CG-CD1 3.83Å; L732-F758 HydrophobicContact CG-CD2 4.29Å; L732-F758 HydrophobicContact CG-CE1 3.98Å; L732-F758 HydrophobicContact CG-CE2 4.44Å; L732-F758 HydrophobicContact CG-CG 3.99Å; L732-F758 HydrophobicContact CG-CZ 4.28Å; L732-I774 HydrophobicContact CB-CG1 4.47Å; L732-I774 HydrophobicContact CD2-CG1 3.81Å; L732-A777 HydrophobicContact CD1-CB 3.92Å
733	L	69.8	Low	74.1	Confident	49 Å²	49	18.4 Å²	18.4	26%	0.257	10%	0.099	S	C	.	.	H	α-helix	trans	-66.2	-37.7	170.9	-66.4	171.1	0	0	0	113	N731 S737 F758	N731-L733 PolarHBondContact O-N 3.23Å; N731-L733 VanDerWaalsContact O-N 3.13Å; N731-L733 WeakPolarHBondContact OD1-CB 3.27Å; N731-L733 PolarHBondContact OD1-N 3.19Å; L733-S737 VanDerWaalsContact O-CB 3.27Å; L733-S737 WeakPolarHBondContact O-CB 3.39Å; L733-S737 PolarHBondContact O-N 3.33Å; L733-S737 PolarHBondContact O-OG 3.24Å; L733-F758 HydrophobicContact CD2-CB 3.88Å; L733-F758 HydrophobicContact CG-CB 4.47Å; L733-F758 WeakPolarHBondContact CG-O 3.41Å
734	E	76.6	Confident	73.5	Confident	22 Å²	22	20 Å²	20	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-46	177.8	-66.5	172.8	-149.7	0	0	110.3	K702 N731 M736 S737 L738	K702-E734 HydrophobicContact CB-CG 3.94Å; K702-E734 WeakPolarHBondContact CE-OE2 3.39Å; K702-E734 HydrophobicContact CG-CB 4.42Å; K702-E734 HydrophobicContact CG-CG 3.93Å; K702-E734 WeakPolarHBondContact CG-OE2 3.47Å; K702-E734 VanDerWaalsContact NZ-CD 3.28Å; K702-E734 IonicContact NZ-OE1 2.67Å; K702-E734 PolarHBondContact NZ-OE1 3.39Å; K702-E734 IonicContact NZ-OE2 3.86Å; K702-E734 PolarHBondContact NZ-OE2 2.79Å; K702-E734 WeakPolarHBondContact O-CA 3.31Å; N731-E734 HydrophobicContact CB-CB 4.37Å; N731-E734 HydrophobicContact CB-CG 3.99Å; N731-E734 WeakPolarHBondContact CB-OE1 3.25Å; N731-E734 WeakPolarHBondContact ND2-CG 3.45Å; N731-E734 PolarHBondContact ND2-OE1 3.35Å; N731-E734 WeakPolarHBondContact O-CB 3.41Å; N731-E734 PolarHBondContact O-N 3.2Å; E734-M736 VanDerWaalsContact C-N 3.3Å; E734-M736 PolarHBondContact O-N 3.3Å; E734-S737 PolarHBondContact O-N 3.36Å; E734-L738 VanDerWaalsContact O-CG 3.32Å; E734-L738 WeakPolarHBondContact O-CG 3.41Å; E734-L738 PolarHBondContact O-N 3.37Å
735	L	72.4	Confident	72.9	Confident	19 Å²	19	26.1 Å²	26.1	10%	0.099	15%	0.147	C	C	.	.	H	α-helix	trans	-56.3	-45.7	176.4	-167.3	65.7	0	0	0	110.9	L728 N731 L732 L739 A777 M781	L728-L735 HydrophobicContact CB-CD1 4.44Å; L728-L735 HydrophobicContact CD1-CD1 3.9Å; N731-L735 PolarHBondContact O-N 3Å; L732-L735 HydrophobicContact CD1-CB 4.33Å; L732-L735 HydrophobicContact CD1-CD2 3.88Å; L735-L739 WeakPolarHBondContact O-CB 3.46Å; L735-L739 PolarHBondContact O-N 3.39Å; L735-A777 HydrophobicContact CD2-CB 4.12Å; L735-M781 HydrophobicContact CD1-CE 4.03Å; L735-M781 HydrophobicContact CD1-SD 3.39Å; L735-M781 WeakPolarHBondContact CD1-SD 3.31Å; L735-M781 HydrophobicContact CD2-SD 4.31Å; L735-M781 HydrophobicContact CG-SD 3.48Å; L735-M781 WeakPolarHBondContact CG-SD 3.44Å
736	M	74.1	Confident	72.7	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-73.8	-33.7	176.5	-73	-54.6	-41.6	0	0	114.4	M528 L732 E734 L738 L739 N740 F747 L754 F758	M528-M736 HydrophobicContact CE-CE 4.45Å; M528-M736 HydrophobicContact CE-SD 3.97Å; L732-M736 HydrophobicContact CD1-CG 4.26Å; L732-M736 WeakPolarHBondContact O-CB 3.26Å; L732-M736 VanDerWaalsContact O-CG 3.31Å; L732-M736 WeakPolarHBondContact O-CG 3.19Å; L732-M736 PolarHBondContact O-N 3.2Å; E734-M736 VanDerWaalsContact C-N 3.3Å; E734-M736 PolarHBondContact O-N 3.3Å; M736-L738 VanDerWaalsContact C-N 3.34Å; M736-L739 HydrophobicContact CE-CB 4.38Å; M736-L739 HydrophobicContact CE-CD2 3.98Å; M736-L739 PolarHBondContact O-N 3.1Å; M736-L739 HydrophobicContact SD-CD2 4.11Å; M736-N740 VanDerWaalsContact O-CB 3.3Å; M736-N740 WeakPolarHBondContact O-CB 3.48Å; M736-N740 PolarHBondContact O-N 3.15Å; M736-F747 HydrophobicContact CE-CD1 4.39Å; M736-F747 HydrophobicContact CE-CE1 4.2Å; M736-L754 HydrophobicContact CE-CD1 3.99Å; M736-L754 HydrophobicContact CE-CD2 4.02Å; M736-F758 HydrophobicContact CG-CD2 3.9Å; M736-F758 HydrophobicContact CG-CE2 3.84Å; M736-F758 HydrophobicContact SD-CE2 4.36Å
737	S	80.1	Confident	72.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-46	173.9	-63.1	0	0	0	0	110.3	K702 M704 Y709 L733 E734 F741	K702-S737 WeakPolarHBondContact O-CB 3.5Å; K702-S737 PolarHBondContact O-OG 3.03Å; M704-S737 WeakPolarHBondContact CB-OG 3.48Å; M704-S737 VanDerWaalsContact CE-OG 3.27Å; M704-S737 WeakPolarHBondContact CE-OG 3.49Å; M704-S737 PolarHBondContact N-OG 3.5Å; Y709-S737 WeakPolarHBondContact CE2-O 3.38Å; Y709-S737 PolarHBondContact OH-O 3.4Å; Y709-S737 VanDerWaalsContact OH-O 3.06Å; L733-S737 VanDerWaalsContact O-CB 3.27Å; L733-S737 WeakPolarHBondContact O-CB 3.39Å; L733-S737 PolarHBondContact O-N 3.33Å; L733-S737 PolarHBondContact O-OG 3.24Å; E734-S737 PolarHBondContact O-N 3.36Å; S737-F741 WeakPolarHBondContact O-CB 3.44Å; S737-F741 PolarHBondContact O-N 2.92Å
738	L	80.9	Confident	72.9	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-44.1	177.3	-63.3	167.5	0	0	0	111.3	L701 L722 L728 E734 M736 N740 F741 I742	L701-L738 HydrophobicContact CB-CD2 3.88Å; L722-L738 HydrophobicContact CD1-CB 4.45Å; L722-L738 HydrophobicContact CD1-CD2 3.97Å; L728-L738 HydrophobicContact CD1-CD1 3.86Å; L728-L738 HydrophobicContact CD2-CD1 3.46Å; L728-L738 VanDerWaalsContact CD2-CD1 3.46Å; L728-L738 HydrophobicContact CG-CD1 4.22Å; E734-L738 VanDerWaalsContact O-CG 3.32Å; E734-L738 WeakPolarHBondContact O-CG 3.41Å; E734-L738 PolarHBondContact O-N 3.37Å; M736-L738 VanDerWaalsContact C-N 3.34Å; L738-N740 VanDerWaalsContact C-N 3.34Å; L738-N740 PolarHBondContact O-N 2.92Å; L738-F741 WeakPolarHBondContact O-CB 3.1Å; L738-F741 PolarHBondContact O-N 3.42Å; L738-F741 VanDerWaalsContact O-N 3.13Å; L738-I742 WeakPolarHBondContact O-CD1 3.48Å; L738-I742 WeakPolarHBondContact O-CG1 3.21Å; L738-I742 PolarHBondContact O-N 2.94Å
739	L	77.9	Confident	73	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-42.7	177.6	-172.4	56.7	0	0	0	113	L735 M736 I742 M743 F747 M781	L735-L739 WeakPolarHBondContact O-CB 3.46Å; L735-L739 PolarHBondContact O-N 3.39Å; M736-L739 HydrophobicContact CE-CB 4.38Å; M736-L739 HydrophobicContact CE-CD2 3.98Å; M736-L739 PolarHBondContact O-N 3.1Å; M736-L739 HydrophobicContact SD-CD2 4.11Å; L739-I742 PolarHBondContact O-N 3.43Å; L739-M743 HydrophobicContact CD1-CE 3.53Å; L739-M743 PolarHBondContact O-N 3.28Å; L739-M743 VanDerWaalsContact O-N 3.13Å; L739-F747 HydrophobicContact CD1-CE2 4.23Å; L739-F747 HydrophobicContact CD2-CE1 4.47Å; L739-F747 HydrophobicContact CD2-CE2 4.09Å; L739-F747 HydrophobicContact CD2-CZ 3.72Å; L739-F747 HydrophobicContact CG-CD2 4.45Å; L739-F747 HydrophobicContact CG-CE2 3.67Å; L739-F747 HydrophobicContact CG-CZ 3.84Å; L739-M781 HydrophobicContact CB-CE 3.86Å; L739-M781 HydrophobicContact CB-SD 3.92Å; L739-M781 HydrophobicContact CD1-CE 4.07Å; L739-M781 HydrophobicContact CD1-CG 4.05Å; L739-M781 HydrophobicContact CD1-SD 4.26Å; L739-M781 HydrophobicContact CD2-CG 4.05Å; L739-M781 HydrophobicContact CD2-SD 4.06Å; L739-M781 HydrophobicContact CG-CE 4.44Å; L739-M781 HydrophobicContact CG-CG 4.5Å; L739-M781 HydrophobicContact CG-SD 4.29Å
740	N	82.4	Confident	73.3	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.027	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-41.9	174.3	-176.3	20.3	0	0	0	111.8	Y709 M713 M736 L738 I742 M743 P744 F747 T751	Y709-N740 WeakPolarHBondContact OH-CB 3.4Å; Y709-N740 PolarHBondContact OH-ND2 3.46Å; M713-N740 WeakPolarHBondContact CE-OD1 3.17Å; M736-N740 VanDerWaalsContact O-CB 3.3Å; M736-N740 WeakPolarHBondContact O-CB 3.48Å; M736-N740 PolarHBondContact O-N 3.15Å; L738-N740 VanDerWaalsContact C-N 3.34Å; L738-N740 PolarHBondContact O-N 2.92Å; N740-I742 VanDerWaalsContact C-N 3.31Å; N740-I742 PolarHBondContact O-N 2.88Å; N740-M743 CarbonylContact O-C 3.38Å; N740-P744 WeakPolarHBondContact O-CA 3.45Å; N740-F747 HydrophobicContact CB-CB 4.16Å; N740-F747 WeakPolarHBondContact OD1-CB 3.47Å; N740-T751 WeakPolarHBondContact ND2-CG2 3.45Å; N740-T751 PolarHBondContact ND2-OG1 3.46Å
741	F	86.7	Confident	73.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-35.3	177.7	-170.4	-92	0	0	0	113.3	F695 L701 Y709 L712 M713 R720 L722 S737 L738	F695-F741 HydrophobicContact CD1-CZ 4.34Å; F695-F741 AromaticContact CD2-CE1 3.63Å; F695-F741 HydrophobicContact CD2-CE1 3.63Å; F695-F741 HydrophobicContact CD2-CZ 4.03Å; F695-F741 HydrophobicContact CE1-CZ 4.06Å; F695-F741 AromaticContact CE2-CE1 3.59Å; F695-F741 HydrophobicContact CE2-CE1 3.59Å; F695-F741 AromaticContact CE2-CZ 3.69Å; F695-F741 HydrophobicContact CE2-CZ 3.69Å; F695-F741 HydrophobicContact CG-CE1 4.16Å; F695-F741 HydrophobicContact CG-CZ 4.33Å; F695-F741 HydrophobicContact CZ-CE1 4.12Å; F695-F741 AromaticContact CZ-CZ 3.71Å; F695-F741 HydrophobicContact CZ-CZ 3.71Å; L701-F741 HydrophobicContact CD1-CD1 4.01Å; L701-F741 HydrophobicContact CD1-CD2 4.36Å; L701-F741 HydrophobicContact CD1-CE1 3.61Å; L701-F741 HydrophobicContact CD1-CE2 3.99Å; L701-F741 HydrophobicContact CD1-CG 4.37Å; L701-F741 HydrophobicContact CD1-CZ 3.6Å; L701-F741 HydrophobicContact CD2-CD2 3.92Å; L701-F741 HydrophobicContact CD2-CE2 3.64Å; L701-F741 HydrophobicContact CD2-CZ 4.09Å; L701-F741 HydrophobicContact CG-CE2 4.48Å; Y709-F741 HydrophobicContact CD2-CD2 4.21Å; Y709-F741 HydrophobicContact CE2-CB 3.86Å; Y709-F741 AromaticContact CE2-CD2 3.9Å; Y709-F741 HydrophobicContact CE2-CD2 3.9Å; Y709-F741 HydrophobicContact CE2-CG 4.3Å; Y709-F741 PolarHBondContact OH-N 2.89Å; L712-F741 HydrophobicContact CB-CE2 3.85Å; L712-F741 HydrophobicContact CB-CZ 4.13Å; M713-F741 HydrophobicContact SD-CD2 4.19Å; R720-F741 WeakPolarHBondContact CD-O 3.5Å; R720-F741 PolarHBondContact NH1-O 3.44Å; L722-F741 HydrophobicContact CD1-CD1 4.27Å; L722-F741 HydrophobicContact CD2-CD1 4.26Å; L722-F741 HydrophobicContact CD2-CE1 4.26Å; L722-F741 HydrophobicContact CG-CD1 4.42Å; S737-F741 WeakPolarHBondContact O-CB 3.44Å; S737-F741 PolarHBondContact O-N 2.92Å; L738-F741 WeakPolarHBondContact O-CB 3.1Å; L738-F741 PolarHBondContact O-N 3.42Å; L738-F741 VanDerWaalsContact O-N 3.13Å
742	I	85.4	Confident	73.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-74.8	-42.5	-179	-65.1	158	0	0	0	111.3	S585 I587 L722 L738 L739 N740 P744	S585-I742 WeakPolarHBondContact CB-O 3.42Å; S585-I742 PolarHBondContact OG-O 2.9Å; I587-I742 HydrophobicContact CD1-CD1 3.45Å; I587-I742 VanDerWaalsContact CD1-CD1 3.45Å; I587-I742 HydrophobicContact CG1-CD1 3.34Å; I587-I742 HydrophobicContact CG1-CG1 4.36Å; L722-I742 HydrophobicContact CD1-CD1 3.76Å; L722-I742 HydrophobicContact CD1-CG1 3.5Å; L722-I742 VanDerWaalsContact CD1-CG1 3.5Å; L722-I742 HydrophobicContact CG-CG1 4.49Å; L738-I742 WeakPolarHBondContact O-CD1 3.48Å; L738-I742 WeakPolarHBondContact O-CG1 3.21Å; L738-I742 PolarHBondContact O-N 2.94Å; L739-I742 PolarHBondContact O-N 3.43Å; N740-I742 VanDerWaalsContact C-N 3.31Å; N740-I742 PolarHBondContact O-N 2.88Å; I742-P744 VanDerWaalsContact C-CD 3.5Å
743	M	80.3	Confident	73.7	Confident	14 Å²	14	34.5 Å²	34.5	7%	0.069	20%	0.201	C	C	.	.			trans	-126.7	65.8	-177.7	-60.8	-172.8	-79.8	0	0	112.6	L739 N740 T745 M746 F747 F784	L739-M743 HydrophobicContact CD1-CE 3.53Å; L739-M743 PolarHBondContact O-N 3.28Å; L739-M743 VanDerWaalsContact O-N 3.13Å; N740-M743 CarbonylContact O-C 3.38Å; M743-T745 PolarHBondContact O-N 3.28Å; M743-T745 VanDerWaalsContact O-N 3.12Å; M743-M746 HydrophobicContact CB-CE 4.16Å; M743-M746 HydrophobicContact CE-CE 3.78Å; M743-M746 HydrophobicContact CG-CE 4.46Å; M743-M746 PolarHBondContact O-N 3.07Å; M743-M746 VanDerWaalsContact O-N 3.1Å; M743-M746 HydrophobicContact SD-CE 3.53Å; M743-M746 VanDerWaalsContact SD-CE 3.53Å; M743-F747 HydrophobicContact CB-CD2 4.43Å; M743-F747 HydrophobicContact CB-CE2 4.4Å; M743-F747 WeakPolarHBondContact O-CD2 3.11Å; M743-F784 HydrophobicContact CE-CD1 4.06Å; M743-F784 HydrophobicContact CE-CD2 4.35Å; M743-F784 HydrophobicContact CE-CE1 3.73Å; M743-F784 HydrophobicContact CE-CE2 4.05Å; M743-F784 HydrophobicContact CE-CG 4.36Å; M743-F784 HydrophobicContact CE-CZ 3.72Å; M743-F784 HydrophobicContact SD-CD1 4.34Å; M743-F784 HydrophobicContact SD-CE1 3.76Å; M743-F784 HydrophobicContact SD-CZ 4.12Å
744	P	79.4	Confident	73.4	Confident	33 Å²	33	32.4 Å²	32.4	21%	0.214	19%	0.19	C	C	.	.	H	α-helix	trans	-54.2	-37.1	-173.8	-28.6	36.3	0	0	0	114.5	M713 N740 I742 M746 F747 S748	M713-P744 HydrophobicContact CE-CB 3.62Å; M713-P744 HydrophobicContact CE-CG 3.83Å; M713-P744 HydrophobicContact SD-CB 4.26Å; M713-P744 HydrophobicContact SD-CG 3.9Å; N740-P744 WeakPolarHBondContact O-CA 3.45Å; I742-P744 VanDerWaalsContact C-CD 3.5Å; P744-M746 PolarHBondContact O-N 2.83Å; P744-F747 PolarHBondContact O-N 2.84Å; P744-S748 VanDerWaalsContact O-CB 3.32Å; P744-S748 WeakPolarHBondContact O-CB 3.38Å; P744-S748 PolarHBondContact O-N 2.98Å; P744-S748 PolarHBondContact O-OG 3.5Å
745	T	75.6	Confident	72.7	Confident	131 Å²	131	32.7 Å²	32.7	80%	0.804	19%	0.194	S	C	*	.	H	α-helix	trans	-66.6	-21	-176.8	48.4	0	0	0	0	114	M743	M743-T745 PolarHBondContact O-N 3.28Å; M743-T745 VanDerWaalsContact O-N 3.12Å
746	M	72.3	Confident	72.3	Confident	42 Å²	42	37.5 Å²	37.5	21%	0.207	22%	0.215	C	C	.	.	H	α-helix	trans	-91.2	-21.7	175.6	-67.5	-153.5	-61.1	0	0	113.7	L527 C531 I534 M743 P744	L527-M746 WeakPolarHBondContact CD2-O 3.42Å; C531-M746 VanDerWaalsContact SG-CE 3.59Å; I534-M746 HydrophobicContact CD1-CE 3.87Å; I534-M746 HydrophobicContact CD1-SD 3.62Å; M743-M746 HydrophobicContact CB-CE 4.16Å; M743-M746 HydrophobicContact CE-CE 3.78Å; M743-M746 HydrophobicContact CG-CE 4.46Å; M743-M746 PolarHBondContact O-N 3.07Å; M743-M746 VanDerWaalsContact O-N 3.1Å; M743-M746 HydrophobicContact SD-CE 3.53Å; M743-M746 VanDerWaalsContact SD-CE 3.53Å; P744-M746 PolarHBondContact O-N 2.83Å
747	F	70.2	Confident	71.6	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-121	-7.1	-168.2	-65.1	-71.4	0	0	0	115	L527 C531 M736 L739 N740 M743 P744 S749 S750 T751 L754	L527-F747 HydrophobicContact CB-CE1 4.41Å; L527-F747 HydrophobicContact CD1-CD1 4.28Å; C531-F747 VanDerWaalsContact SG-CZ 3.59Å; M736-F747 HydrophobicContact CE-CD1 4.39Å; M736-F747 HydrophobicContact CE-CE1 4.2Å; L739-F747 HydrophobicContact CD1-CE2 4.23Å; L739-F747 HydrophobicContact CD2-CE1 4.47Å; L739-F747 HydrophobicContact CD2-CE2 4.09Å; L739-F747 HydrophobicContact CD2-CZ 3.72Å; L739-F747 HydrophobicContact CG-CD2 4.45Å; L739-F747 HydrophobicContact CG-CE2 3.67Å; L739-F747 HydrophobicContact CG-CZ 3.84Å; N740-F747 HydrophobicContact CB-CB 4.16Å; N740-F747 WeakPolarHBondContact OD1-CB 3.47Å; M743-F747 HydrophobicContact CB-CD2 4.43Å; M743-F747 HydrophobicContact CB-CE2 4.4Å; M743-F747 WeakPolarHBondContact O-CD2 3.11Å; P744-F747 PolarHBondContact O-N 2.84Å; F747-S749 VanDerWaalsContact C-N 3.33Å; F747-S749 PolarHBondContact O-N 3.45Å; F747-S750 PolarHBondContact O-N 3.38Å; F747-S750 VanDerWaalsContact O-N 3.14Å; F747-T751 PolarHBondContact O-N 2.87Å; F747-T751 PolarHBondContact O-OG1 2.69Å; F747-L754 HydrophobicContact CD1-CD1 3.86Å
748	S	65.5	Low	70.6	Confident	81 Å²	81	39.2 Å²	39.2	57%	0.566	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-42.2	179.9	56.2	0	0	0	0	113.8	P744 S750	P744-S748 VanDerWaalsContact O-CB 3.32Å; P744-S748 WeakPolarHBondContact O-CB 3.38Å; P744-S748 PolarHBondContact O-N 2.98Å; P744-S748 PolarHBondContact O-OG 3.5Å; S748-S750 VanDerWaalsContact C-N 3.33Å; S748-S750 PolarHBondContact O-N 3.39Å
749	S	63.9	Low	69.4	Low	100 Å²	100	42.4 Å²	42.4	70%	0.699	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.4	-180	52.9	0	0	0	0	114.6	F747	F747-S749 VanDerWaalsContact C-N 3.33Å; F747-S749 PolarHBondContact O-N 3.45Å
750	S	63.2	Low	68.3	Low	4 Å²	4	45.5 Å²	45.5	3%	0.028	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	4.1	-170.5	-65	0	0	0	0	114.6	V523 F747 S748 M752 Q753 L754	V523-S750 WeakPolarHBondContact CG1-OG 3.42Å; F747-S750 PolarHBondContact O-N 3.38Å; F747-S750 VanDerWaalsContact O-N 3.14Å; S748-S750 VanDerWaalsContact C-N 3.33Å; S748-S750 PolarHBondContact O-N 3.39Å; S750-M752 VanDerWaalsContact C-N 3.26Å; S750-M752 PolarHBondContact O-N 2.84Å; S750-Q753 WeakPolarHBondContact O-CB 3.17Å; S750-Q753 PolarHBondContact O-N 2.83Å; S750-Q753 PolarHBondContact OG-OE1 2.79Å; S750-Q753 VanDerWaalsContact OG-OE1 3.14Å; S750-L754 WeakPolarHBondContact O-CG 3.43Å; S750-L754 PolarHBondContact O-N 3.46Å
751	T	64.9	Low	66.6	Low	36 Å²	36	54.2 Å²	54.2	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-52.8	-42	-178.1	-65.7	0	0	0	0	112.5	M704 N740 F747 S755	M704-T751 HydrophobicContact SD-CG2 3.92Å; N740-T751 WeakPolarHBondContact ND2-CG2 3.45Å; N740-T751 PolarHBondContact ND2-OG1 3.46Å; F747-T751 PolarHBondContact O-N 2.87Å; F747-T751 PolarHBondContact O-OG1 2.69Å; T751-S755 PolarHBondContact O-N 2.92Å; T751-S755 PolarHBondContact O-OG 3.4Å
752	M	63.3	Low	64.6	Low	134 Å²	134	57.7 Å²	57.7	66%	0.66	32%	0.322	S	S	*	.	H	α-helix	trans	-71.7	-28.9	178.6	-176.5	175.2	63.8	0	0	113.9	S750 S755 K756	S750-M752 VanDerWaalsContact C-N 3.26Å; S750-M752 PolarHBondContact O-N 2.84Å; M752-S755 PolarHBondContact O-OG 2.95Å; M752-S755 VanDerWaalsContact O-OG 3.12Å; M752-K756 PolarHBondContact O-N 2.64Å
753	Q	63.3	Low	62.4	Low	44 Å²	44	65.9 Å²	65.9	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-75.2	-42	176.2	-61.6	173.1	-38	0	0	109.8	E520 S750 M757	E520-Q753 HydrophobicContact CG-CB 4.31Å; E520-Q753 HydrophobicContact CG-CG 3.96Å; S750-Q753 WeakPolarHBondContact O-CB 3.17Å; S750-Q753 PolarHBondContact O-N 2.83Å; S750-Q753 PolarHBondContact OG-OE1 2.79Å; S750-Q753 VanDerWaalsContact OG-OE1 3.14Å; Q753-M757 WeakPolarHBondContact O-CB 3.25Å; Q753-M757 VanDerWaalsContact O-CG 3.28Å; Q753-M757 WeakPolarHBondContact O-CG 3.19Å; Q753-M757 PolarHBondContact O-N 3.12Å
754	L	63.3	Low	60.7	Low	5 Å²	5	74.6 Å²	74.6	3%	0.026	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-44.7	175.2	-70.1	159.9	0	0	0	111.5	I524 M736 F747 S750 M757 F758	I524-L754 HydrophobicContact CD1-CD2 3.93Å; I524-L754 HydrophobicContact CD1-CG 4.5Å; I524-L754 HydrophobicContact CG1-CD2 3.81Å; I524-L754 HydrophobicContact CG1-CG 4.39Å; I524-L754 HydrophobicContact CG2-CD2 4.28Å; M736-L754 HydrophobicContact CE-CD1 3.99Å; M736-L754 HydrophobicContact CE-CD2 4.02Å; F747-L754 HydrophobicContact CD1-CD1 3.86Å; S750-L754 WeakPolarHBondContact O-CG 3.43Å; S750-L754 PolarHBondContact O-N 3.46Å; L754-M757 PolarHBondContact O-N 2.85Å; L754-F758 HydrophobicContact CD2-CE2 3.84Å; L754-F758 WeakPolarHBondContact O-CB 3.33Å; L754-F758 WeakPolarHBondContact O-CD2 3.39Å; L754-F758 PolarHBondContact O-N 3.34Å
755	S	62.8	Low	59.2	Low	29 Å²	29	81 Å²	81	20%	0.203	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-47.5	177.7	65.1	0	0	0	0	112	T751 M752 M757 F758 S759	T751-S755 PolarHBondContact O-N 2.92Å; T751-S755 PolarHBondContact O-OG 3.4Å; M752-S755 PolarHBondContact O-OG 2.95Å; M752-S755 VanDerWaalsContact O-OG 3.12Å; S755-M757 PolarHBondContact O-N 2.95Å; S755-F758 CarbonylContact O-C 3.58Å; S755-F758 PolarHBondContact O-N 3.04Å; S755-S759 WeakPolarHBondContact O-CB 3.25Å; S755-S759 PolarHBondContact O-N 3Å
756	K	63	Low	58.2	Low	120 Å²	120	77.8 Å²	77.8	52%	0.522	40%	0.403	S	S	.	.	H	α-helix	trans	-60.1	-44.5	176.3	-76.5	-177	174.6	-179.9	0	112.9	M752 F758	M752-K756 PolarHBondContact O-N 2.64Å; K756-F758 PolarHBondContact O-N 2.98Å
757	M	59.6	Low	57.5	Low	14 Å²	14	76.9 Å²	76.9	7%	0.069	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-13	178.9	-83.5	-104	-174.7	0	0	115.6	V517 E520 R521 I524 Q753 L754 S755 R773	V517-M757 HydrophobicContact CG1-CE 4.31Å; E520-M757 HydrophobicContact CB-CE 3.62Å; R521-M757 HydrophobicContact CB-CE 4.1Å; I524-M757 HydrophobicContact CD1-CB 3.92Å; I524-M757 HydrophobicContact CD1-CE 4.28Å; I524-M757 HydrophobicContact CD1-CG 3.58Å; I524-M757 HydrophobicContact CD1-SD 3.91Å; Q753-M757 WeakPolarHBondContact O-CB 3.25Å; Q753-M757 VanDerWaalsContact O-CG 3.28Å; Q753-M757 WeakPolarHBondContact O-CG 3.19Å; Q753-M757 PolarHBondContact O-N 3.12Å; L754-M757 PolarHBondContact O-N 2.85Å; S755-M757 PolarHBondContact O-N 2.95Å; M757-R773 PolarHBondContact O-NH1 3.06Å; M757-R773 PolarHBondContact SD-NH2 3.06Å
758	F	58.8	Low	57	Low	25 Å²	25	86.3 Å²	86.3	11%	0.11	44%	0.437	C	S	.	.	H	α-helix	trans	-130.5	-0.5	-175.7	-62	-49.1	0	0	0	114.2	L732 L733 M736 L754 S755 K756 M760 R773	L732-F758 HydrophobicContact CD2-CD1 3.33Å; L732-F758 HydrophobicContact CD2-CE1 3.23Å; L732-F758 HydrophobicContact CD2-CE2 4.48Å; L732-F758 HydrophobicContact CD2-CG 4.02Å; L732-F758 HydrophobicContact CD2-CZ 3.87Å; L732-F758 HydrophobicContact CG-CD1 3.83Å; L732-F758 HydrophobicContact CG-CD2 4.29Å; L732-F758 HydrophobicContact CG-CE1 3.98Å; L732-F758 HydrophobicContact CG-CE2 4.44Å; L732-F758 HydrophobicContact CG-CG 3.99Å; L732-F758 HydrophobicContact CG-CZ 4.28Å; L733-F758 HydrophobicContact CD2-CB 3.88Å; L733-F758 HydrophobicContact CG-CB 4.47Å; L733-F758 WeakPolarHBondContact CG-O 3.41Å; M736-F758 HydrophobicContact CG-CD2 3.9Å; M736-F758 HydrophobicContact CG-CE2 3.84Å; M736-F758 HydrophobicContact SD-CE2 4.36Å; L754-F758 HydrophobicContact CD2-CE2 3.84Å; L754-F758 WeakPolarHBondContact O-CB 3.33Å; L754-F758 WeakPolarHBondContact O-CD2 3.39Å; L754-F758 PolarHBondContact O-N 3.34Å; S755-F758 CarbonylContact O-C 3.58Å; S755-F758 PolarHBondContact O-N 3.04Å; K756-F758 PolarHBondContact O-N 2.98Å; F758-M760 VanDerWaalsContact C-N 3.3Å; F758-M760 PolarHBondContact O-N 3.22Å; F758-R773 VanDerWaalsContact CE1-NH2 3.26Å
759	S	56.8	Low	56.6	Low	72 Å²	72	85 Å²	85	50%	0.503	42%	0.421	S	S	.	.			trans	-87.2	6.5	178.8	-172.9	0	0	0	0	114.1	S755	S755-S759 WeakPolarHBondContact O-CB 3.25Å; S755-S759 PolarHBondContact O-N 3Å
760	M	54.2	Low	56.5	Low	66 Å²	66	82.4 Å²	82.4	33%	0.325	40%	0.398	S	S	.	.			trans	-70.4	129.4	173.4	-65.7	-171.5	70	0	0	110.1	D468 S471 L472 F758 S762	D468-M760 HydrophobicContact CB-CE 3.86Å; S471-M760 VanDerWaalsContact OG-CE 3.23Å; S471-M760 WeakPolarHBondContact OG-CE 3.27Å; L472-M760 HydrophobicContact CD2-CG 4.29Å; L472-M760 HydrophobicContact CD2-SD 3.45Å; L472-M760 WeakPolarHBondContact CD2-SD 3.41Å; L472-M760 HydrophobicContact CG-SD 3.92Å; F758-M760 VanDerWaalsContact C-N 3.3Å; F758-M760 PolarHBondContact O-N 3.22Å; M760-S762 PolarHBondContact O-N 3.35Å
761	K	46.7	Very low	56.5	Low	187 Å²	187	87.5 Å²	87.5	81%	0.813	42%	0.416	S	S	*	.			trans	-85.5	112.8	175.8	-68.7	176.8	-179.3	172.3	0	108.4	H763	K761-H763 PolarHBondContact O-N 2.82Å
762	S	43.4	Very low	56.5	Low	74 Å²	74	89.6 Å²	89.6	52%	0.517	43%	0.427	S	S	.	.			trans	-57.6	116.3	-179.4	56.3	0	0	0	0	111.8	M760 E764	M760-S762 PolarHBondContact O-N 3.35Å; S762-E764 PolarHBondContact O-N 3.19Å
763	H	40.3	Very low	56.6	Low	172 Å²	172	85 Å²	85	80%	0.796	40%	0.402	S	S	*	.			trans	-85.3	94.9	171.3	-92.1	-84.2	0	0	0	110.6	K761 E765	K761-H763 PolarHBondContact O-N 2.82Å; H763-E765 PolarHBondContact O-N 3.28Å
764	E	43.7	Very low	56.7	Low	198 Å²	198	83.6 Å²	83.6	93%	0.925	40%	0.396	S	S	*	.	S	Bend	trans	60.4	-30.7	168.8	-63	-170.3	120.5	0	0	119.2	S762	S762-E764 PolarHBondContact O-N 3.19Å
765	E	48.4	Very low	56.9	Low	167 Å²	167	87.1 Å²	87.1	78%	0.78	42%	0.415	S	S	*	.	S	Bend	trans	-125.1	117.3	166.8	-67.2	-164	152.7	0	0	111.1	H763 S767	H763-E765 PolarHBondContact O-N 3.28Å; E765-S767 PolarHBondContact O-N 3.44Å
766	Q	54	Low	57.2	Low	63 Å²	63	89 Å²	89	29%	0.294	42%	0.42	S	S	.	.			trans	-56.6	127	166.4	-71.8	172	-22.9	0	0	108.8	E770 R771	Q766-E770 WeakPolarHBondContact CA-OE2 3.41Å; Q766-R771 HydrophobicContact CB-CG 4.13Å; Q766-R771 PolarHBondContact O-NH1 2.9Å; Q766-R771 PolarHBondContact O-NH2 2.9Å
767	S	58.7	Low	57.3	Low	23 Å²	23	83.4 Å²	83.4	16%	0.161	40%	0.396	C	S	.	.			trans	-64.9	152.2	178.1	70.2	0	0	0	0	110	E765 F769 E770 R771	E765-S767 PolarHBondContact O-N 3.44Å; S767-F769 PolarHBondContact O-N 3.44Å; S767-E770 PolarHBondContact N-OE2 3.13Å; S767-E770 PolarHBondContact O-N 2.96Å; S767-E770 VanDerWaalsContact O-N 3.1Å; S767-E770 VanDerWaalsContact OG-CG 3.26Å; S767-E770 WeakPolarHBondContact OG-CG 3.45Å; S767-E770 PolarHBondContact OG-N 3.21Å; S767-E770 VanDerWaalsContact OG-N 3.13Å; S767-E770 PolarHBondContact OG-OE2 3.24Å; S767-R771 PolarHBondContact O-N 3.33Å; S767-R771 VanDerWaalsContact O-N 3.13Å
768	R	58.4	Low	57.8	Low	198 Å²	198	85.1 Å²	85.1	75%	0.747	40%	0.403	S	S	*	.	H	α-helix	trans	-53.7	-41.3	175	-179	179.7	174	176.1	3.2	111.2	E770 R771 D772	R768-E770 PolarHBondContact O-N 2.74Å; R768-R771 PolarHBondContact O-N 2.99Å; R768-D772 IonicContact NE-OD2 2.7Å; R768-D772 VanDerWaalsContact O-CG 3.27Å; R768-D772 PolarHBondContact O-N 3.09Å
769	F	58.7	Low	58.2	Low	53 Å²	53	89.4 Å²	89.4	23%	0.232	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-38.3	178	-176.3	-117.8	0	0	0	113.4	E469 S767 R773	E469-F769 HydrophobicContact CG-CD1 3.96Å; E469-F769 HydrophobicContact CG-CE1 4.02Å; E469-F769 WeakPolarHBondContact OE1-CE1 3.36Å; S767-F769 PolarHBondContact O-N 3.44Å; F769-R773 HydrophobicContact CE2-CG 4.44Å; F769-R773 HydrophobicContact CZ-CG 4.48Å; F769-R773 WeakPolarHBondContact O-CB 3.31Å; F769-R773 VanDerWaalsContact O-CG 3.23Å; F769-R773 WeakPolarHBondContact O-CG 3.37Å; F769-R773 PolarHBondContact O-N 3.15Å; F769-R773 VanDerWaalsContact O-N 3.07Å
770	E	60.6	Low	58.8	Low	46 Å²	46	86.1 Å²	86.1	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-64.2	-45.3	172.1	-76.1	167.3	154.8	0	0	111.7	Q766 S767 R768 D772 R773 I774	Q766-E770 WeakPolarHBondContact CA-OE2 3.41Å; S767-E770 PolarHBondContact N-OE2 3.13Å; S767-E770 PolarHBondContact O-N 2.96Å; S767-E770 VanDerWaalsContact O-N 3.1Å; S767-E770 VanDerWaalsContact OG-CG 3.26Å; S767-E770 WeakPolarHBondContact OG-CG 3.45Å; S767-E770 PolarHBondContact OG-N 3.21Å; S767-E770 VanDerWaalsContact OG-N 3.13Å; S767-E770 PolarHBondContact OG-OE2 3.24Å; R768-E770 PolarHBondContact O-N 2.74Å; E770-D772 PolarHBondContact O-N 2.72Å; E770-R773 PolarHBondContact O-N 2.69Å; E770-I774 VanDerWaalsContact O-CG1 3.26Å; E770-I774 WeakPolarHBondContact O-CG1 3.27Å; E770-I774 PolarHBondContact O-N 2.63Å
771	R	63.9	Low	59.6	Low	111 Å²	111	83.1 Å²	83.1	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-45	177.6	-63.1	-168.6	-174.6	100.1	-2.2	111.8	Q766 S767 R768 R773 I774 N775	Q766-R771 HydrophobicContact CB-CG 4.13Å; Q766-R771 PolarHBondContact O-NH1 2.9Å; Q766-R771 PolarHBondContact O-NH2 2.9Å; S767-R771 PolarHBondContact O-N 3.33Å; S767-R771 VanDerWaalsContact O-N 3.13Å; R768-R771 PolarHBondContact O-N 2.99Å; R771-R773 VanDerWaalsContact C-N 3.31Å; R771-R773 PolarHBondContact O-N 3.1Å; R771-I774 PolarHBondContact O-N 2.81Å; R771-N775 WeakPolarHBondContact O-CB 3.46Å; R771-N775 VanDerWaalsContact O-CG 3.24Å; R771-N775 PolarHBondContact O-N 2.87Å
772	D	64.7	Low	60.8	Low	81 Å²	81	78.8 Å²	78.8	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-39.1	177.4	-66.6	-23.5	0	0	0	111.4	R768 E770 N775 Q776	R768-D772 IonicContact NE-OD2 2.7Å; R768-D772 VanDerWaalsContact O-CG 3.27Å; R768-D772 PolarHBondContact O-N 3.09Å; E770-D772 PolarHBondContact O-N 2.72Å; D772-N775 PolarHBondContact O-N 3.29Å; D772-Q776 WeakPolarHBondContact O-CB 3.45Å; D772-Q776 PolarHBondContact O-N 3.06Å
773	R	66	Low	62.2	Low	37 Å²	37	75.7 Å²	75.7	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-39.6	174.6	-69.6	172.3	83.5	-162	7.6	113.2	M757 F758 F769 E770 R771 N775 Q776 A777	M757-R773 PolarHBondContact O-NH1 3.06Å; M757-R773 PolarHBondContact SD-NH2 3.06Å; F758-R773 VanDerWaalsContact CE1-NH2 3.26Å; F769-R773 HydrophobicContact CE2-CG 4.44Å; F769-R773 HydrophobicContact CZ-CG 4.48Å; F769-R773 WeakPolarHBondContact O-CB 3.31Å; F769-R773 VanDerWaalsContact O-CG 3.23Å; F769-R773 WeakPolarHBondContact O-CG 3.37Å; F769-R773 PolarHBondContact O-N 3.15Å; F769-R773 VanDerWaalsContact O-N 3.07Å; E770-R773 PolarHBondContact O-N 2.69Å; R771-R773 VanDerWaalsContact C-N 3.31Å; R771-R773 PolarHBondContact O-N 3.1Å; R773-N775 VanDerWaalsContact C-N 3.32Å; R773-Q776 PolarHBondContact O-N 3.16Å; R773-A777 WeakPolarHBondContact O-CB 3.2Å; R773-A777 PolarHBondContact O-N 2.9Å
774	I	65.5	Low	64	Low	15 Å²	15	67.5 Å²	67.5	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-46.2	173.2	-70.1	163.6	0	0	0	109.5	L732 E770 R771 A777 K778	L732-I774 HydrophobicContact CB-CG1 4.47Å; L732-I774 HydrophobicContact CD2-CG1 3.81Å; E770-I774 VanDerWaalsContact O-CG1 3.26Å; E770-I774 WeakPolarHBondContact O-CG1 3.27Å; E770-I774 PolarHBondContact O-N 2.63Å; R771-I774 PolarHBondContact O-N 2.81Å; I774-A777 PolarHBondContact O-N 2.71Å; I774-K778 HydrophobicContact CG2-CD 4.32Å; I774-K778 HydrophobicContact CG2-CG 4.43Å; I774-K778 WeakPolarHBondContact O-CB 3.33Å; I774-K778 WeakPolarHBondContact O-CG 3.13Å; I774-K778 PolarHBondContact O-N 3.17Å
775	N	67.8	Low	65.8	Low	79 Å²	79	59.9 Å²	59.9	42%	0.422	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-41.6	180	-69.4	-9.9	0	0	0	111.6	R771 D772 R773 A777 K778 L779	R771-N775 WeakPolarHBondContact O-CB 3.46Å; R771-N775 VanDerWaalsContact O-CG 3.24Å; R771-N775 PolarHBondContact O-N 2.87Å; D772-N775 PolarHBondContact O-N 3.29Å; R773-N775 VanDerWaalsContact C-N 3.32Å; N775-A777 PolarHBondContact O-N 2.97Å; N775-K778 PolarHBondContact O-N 2.92Å; N775-L779 WeakPolarHBondContact O-CB 3.49Å; N775-L779 VanDerWaalsContact O-CG 3.32Å; N775-L779 WeakPolarHBondContact O-CG 3.34Å; N775-L779 PolarHBondContact O-N 3.26Å
776	Q	67.4	Low	67.4	Low	67 Å²	67	53.1 Å²	53.1	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-42.2	173.1	-167.4	178.1	21.4	0	0	112.1	D772 R773 L779 I780	D772-Q776 WeakPolarHBondContact O-CB 3.45Å; D772-Q776 PolarHBondContact O-N 3.06Å; R773-Q776 PolarHBondContact O-N 3.16Å; Q776-L779 PolarHBondContact O-N 3.41Å; Q776-I780 HydrophobicContact CG-CD1 4.11Å; Q776-I780 WeakPolarHBondContact O-CB 3.3Å; Q776-I780 WeakPolarHBondContact O-CG1 3.22Å; Q776-I780 PolarHBondContact O-N 3.27Å
777	A	66.4	Low	68.8	Low	3 Å²	3	54.9 Å²	54.9	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-42.3	176	0	0	0	0	0	112.4	L732 L735 R773 I774 N775 I780 M781	L732-A777 HydrophobicContact CD1-CB 3.92Å; L735-A777 HydrophobicContact CD2-CB 4.12Å; R773-A777 WeakPolarHBondContact O-CB 3.2Å; R773-A777 PolarHBondContact O-N 2.9Å; I774-A777 PolarHBondContact O-N 2.71Å; N775-A777 PolarHBondContact O-N 2.97Å; A777-I780 PolarHBondContact O-N 2.66Å; A777-M781 PolarHBondContact O-N 3.37Å
778	K	68.6	Low	70	Confident	50 Å²	50	54.9 Å²	54.9	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-49.8	172.6	-79.3	-178.1	168.1	-166.6	0	111.4	N730 I774 N775 I780 M781 K782 M1065	N730-K778 VanDerWaalsContact OD1-CE 3.28Å; N730-K778 WeakPolarHBondContact OD1-CE 3.16Å; I774-K778 HydrophobicContact CG2-CD 4.32Å; I774-K778 HydrophobicContact CG2-CG 4.43Å; I774-K778 WeakPolarHBondContact O-CB 3.33Å; I774-K778 WeakPolarHBondContact O-CG 3.13Å; I774-K778 PolarHBondContact O-N 3.17Å; N775-K778 PolarHBondContact O-N 2.92Å; K778-I780 VanDerWaalsContact C-N 3.28Å; K778-I780 PolarHBondContact O-N 2.8Å; K778-M781 PolarHBondContact O-N 3.13Å; K778-K782 PolarHBondContact O-N 3.05Å; K778-M1065 PolarHBondContact NZ-O 3.36Å
779	L	68.1	Low	71.1	Confident	116 Å²	116	47.8 Å²	47.8	61%	0.607	22%	0.223	S	C	*	.	H	α-helix	trans	-60.1	-37.2	178.1	-73.6	170.2	0	0	0	112.6	N775 Q776	N775-L779 WeakPolarHBondContact O-CB 3.49Å; N775-L779 VanDerWaalsContact O-CG 3.32Å; N775-L779 WeakPolarHBondContact O-CG 3.34Å; N775-L779 PolarHBondContact O-N 3.26Å; Q776-L779 PolarHBondContact O-N 3.41Å
780	I	68.6	Low	72	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-70.7	-35.5	176.9	-76.8	167.7	0	0	0	112	M528 C531 Q532 Q776 A777 K778 P783 F784	M528-I780 HydrophobicContact CB-CD1 3.63Å; M528-I780 HydrophobicContact CG-CD1 4.07Å; M528-I780 WeakPolarHBondContact O-CD1 3.44Å; M528-I780 HydrophobicContact SD-CD1 3.49Å; M528-I780 WeakPolarHBondContact SD-CD1 3.48Å; C531-I780 HydrophobicContact CB-CG2 3.43Å; C531-I780 VanDerWaalsContact CB-CG2 3.43Å; Q532-I780 HydrophobicContact CB-CD1 4.48Å; Q532-I780 HydrophobicContact CB-CG1 4.24Å; Q776-I780 HydrophobicContact CG-CD1 4.11Å; Q776-I780 WeakPolarHBondContact O-CB 3.3Å; Q776-I780 WeakPolarHBondContact O-CG1 3.22Å; Q776-I780 PolarHBondContact O-N 3.27Å; A777-I780 PolarHBondContact O-N 2.66Å; K778-I780 VanDerWaalsContact C-N 3.28Å; K778-I780 PolarHBondContact O-N 2.8Å; I780-P783 VanDerWaalsContact O-CD 3.28Å; I780-P783 WeakPolarHBondContact O-CD 3.48Å; I780-F784 WeakPolarHBondContact O-CD2 3.16Å; I780-F784 WeakPolarHBondContact O-CE2 3.45Å
781	M	70.9	Confident	72.6	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-85.2	-20.5	179.8	-69.8	-170.2	75	0	0	114.5	I587 L735 L739 A777 K778 P783 F784 I785	I587-M781 HydrophobicContact CD1-CE 4.12Å; L735-M781 HydrophobicContact CD1-CE 4.03Å; L735-M781 HydrophobicContact CD1-SD 3.39Å; L735-M781 WeakPolarHBondContact CD1-SD 3.31Å; L735-M781 HydrophobicContact CD2-SD 4.31Å; L735-M781 HydrophobicContact CG-SD 3.48Å; L735-M781 WeakPolarHBondContact CG-SD 3.44Å; L739-M781 HydrophobicContact CB-CE 3.86Å; L739-M781 HydrophobicContact CB-SD 3.92Å; L739-M781 HydrophobicContact CD1-CE 4.07Å; L739-M781 HydrophobicContact CD1-CG 4.05Å; L739-M781 HydrophobicContact CD1-SD 4.26Å; L739-M781 HydrophobicContact CD2-CG 4.05Å; L739-M781 HydrophobicContact CD2-SD 4.06Å; L739-M781 HydrophobicContact CG-CE 4.44Å; L739-M781 HydrophobicContact CG-CG 4.5Å; L739-M781 HydrophobicContact CG-SD 4.29Å; A777-M781 PolarHBondContact O-N 3.37Å; K778-M781 PolarHBondContact O-N 3.13Å; M781-P783 VanDerWaalsContact C-N 3.3Å; M781-P783 WeakPolarHBondContact O-CD 3.33Å; M781-P783 VanDerWaalsContact O-N 3.1Å; M781-F784 PolarHBondContact O-N 3.18Å; M781-I785 HydrophobicContact CB-CD1 3.93Å; M781-I785 HydrophobicContact CB-CG1 4.36Å; M781-I785 HydrophobicContact CE-CD1 4.08Å; M781-I785 WeakPolarHBondContact O-CG1 3.44Å; M781-I785 PolarHBondContact O-N 3Å; M781-I785 VanDerWaalsContact O-N 3.15Å
782	K	71.9	Confident	73	Confident	97 Å²	97	49.8 Å²	49.8	42%	0.422	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-34.1	179.2	-168.1	163.9	-175.9	164.6	0	116.3	K778	K778-K782 PolarHBondContact O-N 3.05Å
783	P	73.9	Confident	73.3	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.058	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-30.9	174.9	-7.2	23.1	0	0	0	113.7	S535 M538 V539 W575 I780 M781 I785	S535-P783 WeakPolarHBondContact OG-CG 2.96Å; M538-P783 HydrophobicContact CE-CB 3.52Å; M538-P783 WeakPolarHBondContact CE-O 3.42Å; M538-P783 HydrophobicContact SD-CB 3.7Å; V539-P783 HydrophobicContact CG2-CG 4.36Å; W575-P783 WeakPolarHBondContact CZ2-O 3.42Å; W575-P783 PolarHBondContact NE1-O 3.03Å; I780-P783 VanDerWaalsContact O-CD 3.28Å; I780-P783 WeakPolarHBondContact O-CD 3.48Å; M781-P783 VanDerWaalsContact C-N 3.3Å; M781-P783 WeakPolarHBondContact O-CD 3.33Å; M781-P783 VanDerWaalsContact O-N 3.1Å; P783-I785 VanDerWaalsContact C-N 3.34Å
784	F	77.9	Confident	73.4	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.7	-177.2	-55.1	-84.5	0	0	0	113	I534 L584 I587 M743 I780 M781	I534-F784 HydrophobicContact CB-CZ 4.48Å; I534-F784 HydrophobicContact CG2-CE1 4.3Å; I534-F784 HydrophobicContact CG2-CZ 3.79Å; L584-F784 HydrophobicContact CD1-CE1 4.1Å; L584-F784 HydrophobicContact CD2-CE1 4.32Å; I587-F784 PolarHBondContact N-O 2.78Å; M743-F784 HydrophobicContact CE-CD1 4.06Å; M743-F784 HydrophobicContact CE-CD2 4.35Å; M743-F784 HydrophobicContact CE-CE1 3.73Å; M743-F784 HydrophobicContact CE-CE2 4.05Å; M743-F784 HydrophobicContact CE-CG 4.36Å; M743-F784 HydrophobicContact CE-CZ 3.72Å; M743-F784 HydrophobicContact SD-CD1 4.34Å; M743-F784 HydrophobicContact SD-CE1 3.76Å; M743-F784 HydrophobicContact SD-CZ 4.12Å; I780-F784 WeakPolarHBondContact O-CD2 3.16Å; I780-F784 WeakPolarHBondContact O-CE2 3.45Å; M781-F784 PolarHBondContact O-N 3.18Å
785	I	81.4	Confident	73.6	Confident	38 Å²	38	55.6 Å²	55.6	20%	0.195	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	178.5	-55.6	-179	0	0	0	109.9	I587 A589 L728 M781 P783 R787	I587-I785 HydrophobicContact CB-CG1 4.21Å; I587-I785 HydrophobicContact CD1-CD1 4.15Å; I587-I785 HydrophobicContact CD1-CG1 3.9Å; I587-I785 HydrophobicContact CG1-CG1 4.2Å; I587-I785 WeakPolarHBondContact O-CA 3.43Å; A589-I785 HydrophobicContact CB-CG2 3.79Å; L728-I785 HydrophobicContact CD1-CD1 3.77Å; M781-I785 HydrophobicContact CB-CD1 3.93Å; M781-I785 HydrophobicContact CB-CG1 4.36Å; M781-I785 HydrophobicContact CE-CD1 4.08Å; M781-I785 WeakPolarHBondContact O-CG1 3.44Å; M781-I785 PolarHBondContact O-N 3Å; M781-I785 VanDerWaalsContact O-N 3.15Å; P783-I785 VanDerWaalsContact C-N 3.34Å; I785-R787 HydrophobicContact CG2-CB 4.48Å
786	L	82.8	Confident	73.8	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106	165.6	-176.7	58.5	0	0	0	109.6	W575 I587 L588 A589 D590 R788	W575-L786 HydrophobicContact CB-CD2 4.25Å; W575-L786 HydrophobicContact CD2-CB 3.92Å; W575-L786 HydrophobicContact CD2-CD2 3.94Å; W575-L786 HydrophobicContact CE3-CB 3.77Å; W575-L786 HydrophobicContact CE3-CD2 3.74Å; W575-L786 HydrophobicContact CE3-CG 4.42Å; W575-L786 HydrophobicContact CG-CD2 4.18Å; W575-L786 HydrophobicContact CH2-CB 3.79Å; W575-L786 HydrophobicContact CZ2-CB 3.9Å; W575-L786 HydrophobicContact CZ3-CB 3.71Å; W575-L786 HydrophobicContact CZ3-CD2 4.4Å; I587-L786 PolarHBondContact O-N 3.24Å; L588-L786 HydrophobicContact CD1-CB 4.09Å; L588-L786 HydrophobicContact CD1-CD2 3.9Å; L588-L786 HydrophobicContact CD1-CG 4.12Å; A589-L786 CarbonylContact C-O 3.59Å; A589-L786 WeakPolarHBondContact CA-O 3.44Å; A589-L786 PolarHBondContact N-O 3.14Å; D590-L786 PolarHBondContact N-O 3.37Å; L786-R788 HydrophobicContact CD1-CG 4.25Å
787	R	82.9	Confident	74.4	Confident	100 Å²	100	58 Å²	58	38%	0.377	28%	0.278	S	S	.	.			trans	-115.5	132.9	172.2	178.3	174.1	-173	-163.1	2.5	109	A589 I785 E1062 T1066	A589-R787 HydrophobicContact CB-CB 4.17Å; A589-R787 WeakPolarHBondContact O-CG 3.32Å; I785-R787 HydrophobicContact CG2-CB 4.48Å; R787-E1062 IonicContact CZ-OE1 2.88Å; R787-E1062 IonicContact NH2-OE1 3.62Å; R787-E1062 PolarHBondContact NH2-OE1 3.02Å; R787-T1066 PolarHBondContact NH1-OG1 3.33Å
788	R	83.2	Confident	75.3	Confident	23 Å²	23	59.1 Å²	59.1	9%	0.087	29%	0.285	C	S	.	.			trans	-144.3	146.1	177.6	-63.8	171.8	-67.7	-167.1	5.6	109.1	Y568 D590 E591 L594 L786 E792 V793	Y568-R788 PolarHBondContact O-NH1 3.1Å; D590-R788 VanDerWaalsContact CG-NH2 3.27Å; D590-R788 IonicContact OD1-CZ 3.62Å; D590-R788 VanDerWaalsContact OD1-CZ 3.3Å; D590-R788 IonicContact OD1-NE 2.67Å; D590-R788 PolarHBondContact OD1-NE 3.44Å; D590-R788 IonicContact OD1-NH2 3.71Å; D590-R788 PolarHBondContact OD1-NH2 3.11Å; D590-R788 IonicContact OD2-CZ 3.12Å; D590-R788 IonicContact OD2-NE 3.56Å; D590-R788 IonicContact OD2-NH2 3.92Å; D590-R788 PolarHBondContact OD2-NH2 2.95Å; E591-R788 PolarHBondContact N-O 3.48Å; L594-R788 WeakPolarHBondContact CD1-O 3.12Å; L786-R788 HydrophobicContact CD1-CG 4.25Å; R788-E792 WeakPolarHBondContact CA-OE2 3.37Å; R788-V793 HydrophobicContact CB-CG1 4.31Å
789	V	80.9	Confident	76.2	Confident	48 Å²	48	59.5 Å²	59.5	29%	0.291	30%	0.297	S	S	.	.			trans	-108	152	-179.4	-61.3	0	0	0	0	112.6	E591 N791 E792 V793	E591-V789 WeakPolarHBondContact OE2-CA 3.25Å; E591-V789 VanDerWaalsContact OE2-CB 3.22Å; E591-V789 WeakPolarHBondContact OE2-CB 3.41Å; V789-N791 PolarHBondContact O-N 3.13Å; V789-N791 VanDerWaalsContact O-N 3.13Å; V789-E792 HydrophobicContact CG2-CB 4.35Å; V789-E792 HydrophobicContact CG2-CG 3.61Å; V789-E792 PolarHBondContact N-OE2 3.34Å; V789-E792 WeakPolarHBondContact O-CB 3.22Å; V789-E792 PolarHBondContact O-N 2.78Å; V789-V793 PolarHBondContact O-N 3.49Å
790	K	79.1	Confident	77.3	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-51.1	-41.4	-177.4	-71.4	173.6	-162.3	172.2	0	112.4	E591 M592 L594 E792 V793 L794 L797 D1025 H1028	E591-K790 HydrophobicContact CG-CG 4.37Å; E591-K790 WeakPolarHBondContact OE1-CD 3.34Å; E591-K790 WeakPolarHBondContact OE1-CE 3.12Å; E591-K790 WeakPolarHBondContact OE1-CG 3.13Å; E591-K790 IonicContact OE1-NZ 2.7Å; E591-K790 PolarHBondContact OE2-N 2.84Å; M592-K790 WeakPolarHBondContact O-CE 3.49Å; L594-K790 HydrophobicContact CD2-CG 3.95Å; L594-K790 HydrophobicContact CG-CG 4.47Å; K790-E792 PolarHBondContact O-N 2.88Å; K790-V793 PolarHBondContact O-N 2.95Å; K790-L794 WeakPolarHBondContact O-CA 3.48Å; K790-L794 WeakPolarHBondContact O-CB 3.43Å; K790-L794 PolarHBondContact O-N 3.44Å; K790-L797 HydrophobicContact CD-CD2 3.89Å; K790-L797 HydrophobicContact CG-CD2 4.41Å; K790-D1025 IonicContact NZ-OD1 3.91Å; K790-D1025 PolarHBondContact NZ-OD1 3.1Å; K790-D1025 IonicContact NZ-OD2 3.66Å; K790-D1025 PolarHBondContact NZ-OD2 2.83Å; K790-H1028 PolarHBondContact NZ-ND1 3.02Å; K790-H1028 PolarHBondContact NZ-O 3.34Å
791	N	73.5	Confident	78.4	Confident	139 Å²	139	62.1 Å²	62.1	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-64.2	-26.1	-178.1	-63.4	-4.6	0	0	0	113.3	V789	V789-N791 PolarHBondContact O-N 3.13Å; V789-N791 VanDerWaalsContact O-N 3.13Å
792	E	71.5	Confident	79.5	Confident	110 Å²	110	67.2 Å²	67.2	51%	0.514	33%	0.329	S	S	.	.	H	α-helix	trans	-79.3	-40.7	176.7	-67.2	166.3	154.1	0	0	112.3	R788 V789 K790	R788-E792 WeakPolarHBondContact CA-OE2 3.37Å; V789-E792 HydrophobicContact CG2-CB 4.35Å; V789-E792 HydrophobicContact CG2-CG 3.61Å; V789-E792 PolarHBondContact N-OE2 3.34Å; V789-E792 WeakPolarHBondContact O-CB 3.22Å; V789-E792 PolarHBondContact O-N 2.78Å; K790-E792 PolarHBondContact O-N 2.88Å
793	V	70.9	Confident	80.6	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-108	-18.7	-165.8	-63.7	0	0	0	0	114.9	Y568 L594 R788 V789 K790	Y568-V793 HydrophobicContact CD1-CB 3.82Å; Y568-V793 HydrophobicContact CD1-CG2 4.24Å; Y568-V793 HydrophobicContact CD2-CB 4.37Å; Y568-V793 HydrophobicContact CD2-CG2 4.34Å; Y568-V793 HydrophobicContact CE1-CB 4.45Å; Y568-V793 HydrophobicContact CE1-CG2 4.44Å; Y568-V793 HydrophobicContact CG-CB 3.78Å; Y568-V793 HydrophobicContact CG-CG1 4.06Å; Y568-V793 HydrophobicContact CG-CG2 4.2Å; L594-V793 HydrophobicContact CD1-CG2 3.93Å; L594-V793 HydrophobicContact CD2-CG2 3.63Å; L594-V793 HydrophobicContact CG-CG2 4.46Å; R788-V793 HydrophobicContact CB-CG1 4.31Å; V789-V793 PolarHBondContact O-N 3.49Å; K790-V793 PolarHBondContact O-N 2.95Å
794	L	69.2	Low	81.6	Confident	21 Å²	21	69.1 Å²	69.1	11%	0.11	34%	0.338	C	S	.	.			trans	-129.9	61.5	-174.3	-72.5	174.7	0	0	0	112.2	Y568 L594 K790 Q796 L797 V1030	Y568-L794 HydrophobicContact CE1-CD2 3.84Å; Y568-L794 HydrophobicContact CE1-CG 4.13Å; L594-L794 HydrophobicContact CD2-CD1 3.44Å; L594-L794 VanDerWaalsContact CD2-CD1 3.44Å; L594-L794 HydrophobicContact CD2-CG 4.15Å; K790-L794 WeakPolarHBondContact O-CA 3.48Å; K790-L794 WeakPolarHBondContact O-CB 3.43Å; K790-L794 PolarHBondContact O-N 3.44Å; L794-Q796 PolarHBondContact O-N 2.71Å; L794-L797 HydrophobicContact CB-CB 4.11Å; L794-L797 WeakPolarHBondContact O-CB 3.15Å; L794-L797 PolarHBondContact O-N 3.24Å; L794-V1030 HydrophobicContact CD1-CG2 3.46Å; L794-V1030 VanDerWaalsContact CD1-CG2 3.46Å; L794-V1030 HydrophobicContact CD2-CG2 4.25Å
795	K	68.8	Low	82.5	Confident	196 Å²	196	71.6 Å²	71.6	85%	0.852	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6.6	168.2	-62.3	-176.8	179.4	179.7	0	114.7
796	Q	71.7	Confident	83.1	Confident	167 Å²	167	74 Å²	74	78%	0.78	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-9.2	177.8	-66.6	179.9	-22.1	0	0	113.6	L794	L794-Q796 PolarHBondContact O-N 2.71Å
797	L	79.6	Confident	83.7	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.157	35%	0.353	C	S	.	.	S	Bend	trans	-76.9	136.9	178.9	-168.2	67.6	0	0	0	109.2	K790 L794 H1028 Q1032	K790-L797 HydrophobicContact CD-CD2 3.89Å; K790-L797 HydrophobicContact CG-CD2 4.41Å; L794-L797 HydrophobicContact CB-CB 4.11Å; L794-L797 WeakPolarHBondContact O-CB 3.15Å; L794-L797 PolarHBondContact O-N 3.24Å; L797-H1028 VanDerWaalsContact CD2-CE1 3.4Å; L797-H1028 WeakPolarHBondContact CD2-CE1 3.42Å; L797-H1028 WeakPolarHBondContact CD2-NE2 3.38Å; L797-Q1032 HydrophobicContact CD1-CB 4.26Å
798	P	85.1	Confident	84.3	Confident	26 Å²	26	70.8 Å²	70.8	17%	0.169	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-58.8	159.4	174.9	-25.3	35.5	0	0	0	112.7	H1028 Q1032 R1034	P798-H1028 PolarHBondContact O-NE2 2.85Å; P798-Q1032 HydrophobicContact CG-CG 4.34Å; P798-R1034 VanDerWaalsContact CB-O 3.23Å; P798-R1034 WeakPolarHBondContact CB-O 3.45Å; P798-R1034 WeakPolarHBondContact CG-O 3.37Å
799	A	87.8	Confident	84.8	Confident	57 Å²	57	71 Å²	71	47%	0.471	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-60.7	150.6	176.3	0	0	0	0	0	111.8	T1035 V1036	A799-T1035 HydrophobicContact CB-CG2 4.25Å; A799-T1035 WeakPolarHBondContact O-CG2 3.5Å; A799-V1036 PolarHBondContact O-N 3.44Å
800	K	90.9	Very high	85.4	Confident	70 Å²	70	69.3 Å²	69.3	30%	0.304	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.4	164.8	-172.6	166.2	72.1	167.3	0	108	E1024 D1025 H1028 V1036 V1038	K800-E1024 IonicContact NZ-OE2 3.76Å; K800-E1024 PolarHBondContact NZ-OE2 2.83Å; K800-D1025 IonicContact NZ-OD1 2.73Å; K800-D1025 PolarHBondContact NZ-OD1 2.91Å; K800-H1028 HydrophobicContact CD-CB 3.95Å; K800-V1036 CarbonylContact C-O 3.46Å; K800-V1036 WeakPolarHBondContact CA-O 3.45Å; K800-V1038 HydrophobicContact CD-CG2 3.86Å; K800-V1038 HydrophobicContact CG-CG2 3.93Å
801	E	93.4	Very high	86.1	Confident	104 Å²	104	77.3 Å²	77.3	49%	0.486	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.1	179.1	-68.2	178.8	-166.1	0	0	109.1	T1035 V1036 V1038	E801-T1035 HydrophobicContact CG-CG2 4.09Å; E801-V1036 PolarHBondContact N-O 3.43Å; E801-V1038 PolarHBondContact O-N 3.14Å
802	E	93.6	Very high	86.9	Confident	109 Å²	109	76 Å²	76	51%	0.509	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.6	178.4	-173.6	175.5	166.8	0	0	110.6	V1038 K1040	E802-V1038 HydrophobicContact CG-CG1 4.49Å; E802-K1040 VanDerWaalsContact CD-NZ 3.29Å; E802-K1040 WeakPolarHBondContact OE1-CD 3.45Å; E802-K1040 WeakPolarHBondContact OE1-CE 3.39Å; E802-K1040 IonicContact OE1-NZ 2.75Å; E802-K1040 PolarHBondContact OE1-NZ 3.33Å; E802-K1040 IonicContact OE2-NZ 3.02Å
803	K	95	Very high	88	Confident	97 Å²	97	70.8 Å²	70.8	42%	0.422	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.5	176.9	-164.9	-176.2	-176.1	-162.9	0	110.2	E805 V1038 I1039 K1040	K803-E805 HydrophobicContact CD-CG 4.32Å; K803-E805 VanDerWaalsContact CE-CD 3.42Å; K803-E805 WeakPolarHBondContact CE-OE1 3.43Å; K803-E805 VanDerWaalsContact CE-OE2 3.29Å; K803-E805 WeakPolarHBondContact CE-OE2 3.07Å; K803-E805 HydrophobicContact CG-CG 4.47Å; K803-E805 VanDerWaalsContact NZ-CD 3.3Å; K803-E805 IonicContact NZ-OE1 3.19Å; K803-E805 PolarHBondContact NZ-OE1 3.38Å; K803-E805 IonicContact NZ-OE2 3.82Å; K803-E805 PolarHBondContact NZ-OE2 3.25Å; K803-V1038 PolarHBondContact N-O 3.04Å; K803-I1039 CarbonylContact O-C 3.47Å; K803-I1039 WeakPolarHBondContact O-CA 3.38Å; K803-K1040 PolarHBondContact O-N 3.12Å
804	I	95.5	Very high	89.2	Confident	49 Å²	49	73.4 Å²	73.4	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.9	176	-58	170.9	0	0	0	107.5	F806 I1042 L1052	I804-F806 HydrophobicContact CB-CE2 4.38Å; I804-F806 HydrophobicContact CG2-CD2 4.1Å; I804-F806 HydrophobicContact CG2-CE1 4.47Å; I804-F806 HydrophobicContact CG2-CE2 3.64Å; I804-F806 HydrophobicContact CG2-CZ 3.86Å; I804-I1042 HydrophobicContact CG2-CG1 3.84Å; I804-L1052 HydrophobicContact CD1-CD1 4.22Å; I804-L1052 HydrophobicContact CD1-CD2 4.29Å; I804-L1052 HydrophobicContact CG2-CD2 4.1Å
805	E	95.3	Very high	90.4	Very high	53 Å²	53	77.1 Å²	77.1	25%	0.248	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102.2	-177.8	-63.2	-76.9	-142.8	0	0	109.4	K803 C807 I1039 K1040 L1041 I1042	K803-E805 HydrophobicContact CD-CG 4.32Å; K803-E805 VanDerWaalsContact CE-CD 3.42Å; K803-E805 WeakPolarHBondContact CE-OE1 3.43Å; K803-E805 VanDerWaalsContact CE-OE2 3.29Å; K803-E805 WeakPolarHBondContact CE-OE2 3.07Å; K803-E805 HydrophobicContact CG-CG 4.47Å; K803-E805 VanDerWaalsContact NZ-CD 3.3Å; K803-E805 IonicContact NZ-OE1 3.19Å; K803-E805 PolarHBondContact NZ-OE1 3.38Å; K803-E805 IonicContact NZ-OE2 3.82Å; K803-E805 PolarHBondContact NZ-OE2 3.25Å; E805-C807 PolarHBondContact O-N 3.07Å; E805-C807 VanDerWaalsContact O-N 3.13Å; E805-C807 PolarHBondContact O-SG 3.5Å; E805-I1039 HydrophobicContact CB-CG2 4.38Å; E805-I1039 HydrophobicContact CG-CG2 3.54Å; E805-K1040 PolarHBondContact N-O 3.35Å; E805-L1041 HydrophobicContact CB-CD2 3.96Å; E805-L1041 HydrophobicContact CG-CD2 4.49Å; E805-I1042 PolarHBondContact O-N 2.86Å
806	F	95.3	Very high	91.5	Very high	89 Å²	89	69.5 Å²	69.5	39%	0.39	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	98.4	178.9	-74.6	-80.5	0	0	0	110.6	I804 I1042 K1044 L1052	I804-F806 HydrophobicContact CB-CE2 4.38Å; I804-F806 HydrophobicContact CG2-CD2 4.1Å; I804-F806 HydrophobicContact CG2-CE1 4.47Å; I804-F806 HydrophobicContact CG2-CE2 3.64Å; I804-F806 HydrophobicContact CG2-CZ 3.86Å; F806-I1042 CarbonylContact C-O 3.35Å; F806-I1042 WeakPolarHBondContact CA-O 3.46Å; F806-I1042 HydrophobicContact CD1-CB 4.2Å; F806-I1042 HydrophobicContact CD1-CG2 4.07Å; F806-I1042 HydrophobicContact CE1-CB 4.35Å; F806-I1042 HydrophobicContact CE1-CG2 3.99Å; F806-K1044 HydrophobicContact CB-CG 3.87Å; F806-K1044 WeakPolarHBondContact O-CE 3.34Å; F806-K1044 PolarHBondContact O-NZ 3.49Å; F806-L1052 HydrophobicContact CE1-CD2 4.3Å; F806-L1052 HydrophobicContact CZ-CD2 4Å
807	C	95.1	Very high	92.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.5	-178.5	-59.4	0	0	0	0	110.5	E805 K919 I1042 S1043 K1044	E805-C807 PolarHBondContact O-N 3.07Å; E805-C807 VanDerWaalsContact O-N 3.13Å; E805-C807 PolarHBondContact O-SG 3.5Å; C807-K919 HydrophobicContact CB-CG 4.1Å; C807-I1042 PolarHBondContact N-O 2.92Å; C807-S1043 WeakPolarHBondContact O-CA 3.49Å; C807-K1044 PolarHBondContact O-N 2.93Å
808	S	94.9	Very high	93.1	Very high	57 Å²	57	65.9 Å²	65.9	40%	0.399	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-70.3	138.9	167.2	-57.3	0	0	0	0	109.9	G918 H922 K1044	S808-G918 WeakPolarHBondContact O-CA 3.31Å; S808-H922 PolarHBondContact N-CE1 2.82Å; S808-K1044 PolarHBondContact OG-NZ 3.27Å
809	M	93.8	Very high	93.4	Very high	27 Å²	27	67.4 Å²	67.4	13%	0.133	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-64.3	158.3	172.1	-64.6	-168.3	-164.7	0	0	111.4	Q813 Q814 Y817 A846	M809-Q813 HydrophobicContact CB-CB 4.27Å; M809-Q813 HydrophobicContact CB-CG 4.14Å; M809-Q813 HydrophobicContact CG-CG 4.23Å; M809-Q813 HydrophobicContact SD-CG 3.96Å; M809-Q814 HydrophobicContact CB-CB 4.25Å; M809-Y817 HydrophobicContact CE-CD1 4.03Å; M809-Y817 HydrophobicContact CE-CD2 3.89Å; M809-Y817 HydrophobicContact CE-CE1 4.25Å; M809-Y817 HydrophobicContact CE-CE2 4.12Å; M809-Y817 HydrophobicContact CE-CG 3.85Å; M809-Y817 HydrophobicContact SD-CD1 4.42Å; M809-Y817 HydrophobicContact SD-CD2 4.41Å; M809-Y817 HydrophobicContact SD-CG 4.01Å; M809-A846 HydrophobicContact CE-CB 4.19Å
810	S	94.3	Very high	93.4	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.084	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-74	156.6	167.4	77.2	0	0	0	0	110.9	K812 Q813 Q814 D916	S810-K812 PolarHBondContact O-N 2.71Å; S810-Q813 WeakPolarHBondContact O-CB 3.33Å; S810-Q813 PolarHBondContact O-N 2.89Å; S810-Q813 WeakPolarHBondContact OG-CB 3.31Å; S810-Q813 PolarHBondContact OG-N 3.13Å; S810-Q814 PolarHBondContact O-N 3.13Å; S810-D916 WeakPolarHBondContact CB-OD1 3.19Å; S810-D916 PolarHBondContact OG-OD1 2.96Å
811	E	92.9	Very high	93.3	Very high	173 Å²	173	64 Å²	64	81%	0.808	32%	0.322	S	S	*	.	H	α-helix	trans	-53.5	-41.6	-177.9	-62	176.8	174.5	0	0	112.5	V815	E811-V815 WeakPolarHBondContact O-CG2 3.2Å; E811-V815 PolarHBondContact O-N 3.1Å
812	K	91.6	Very high	93	Very high	112 Å²	112	66.8 Å²	66.8	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-70	-43	177.2	-52.7	-167.4	-156.1	116.5	0	111.8	S810 Q814 V815 L816 D916	S810-K812 PolarHBondContact O-N 2.71Å; K812-Q814 VanDerWaalsContact C-N 3.34Å; K812-V815 PolarHBondContact O-N 3.48Å; K812-L816 WeakPolarHBondContact O-CG 3.48Å; K812-L816 PolarHBondContact O-N 3.32Å; K812-L816 VanDerWaalsContact O-N 3.09Å; K812-D916 WeakPolarHBondContact CD-OD2 3.24Å; K812-D916 WeakPolarHBondContact CE-OD2 3.35Å; K812-D916 IonicContact NZ-OD2 2.78Å; K812-D916 PolarHBondContact NZ-OD2 3.11Å
813	Q	94.4	Very high	92.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-41.8	177.7	-178.6	-178.7	22.2	0	0	111.3	M809 S810 L816 Y817 M845 A846 P849	M809-Q813 HydrophobicContact CB-CB 4.27Å; M809-Q813 HydrophobicContact CB-CG 4.14Å; M809-Q813 HydrophobicContact CG-CG 4.23Å; M809-Q813 HydrophobicContact SD-CG 3.96Å; S810-Q813 WeakPolarHBondContact O-CB 3.33Å; S810-Q813 PolarHBondContact O-N 2.89Å; S810-Q813 WeakPolarHBondContact OG-CB 3.31Å; S810-Q813 PolarHBondContact OG-N 3.13Å; Q813-L816 PolarHBondContact O-N 2.67Å; Q813-Y817 VanDerWaalsContact O-CB 3.32Å; Q813-Y817 WeakPolarHBondContact O-CB 3.46Å; Q813-Y817 PolarHBondContact O-N 3.1Å; Q813-M845 PolarHBondContact NE2-O 3.11Å; Q813-A846 PolarHBondContact NE2-O 3.26Å; Q813-P849 HydrophobicContact CB-CG 3.99Å; Q813-P849 HydrophobicContact CG-CG 3.99Å
814	Q	94.4	Very high	92.1	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-48.9	177.6	-178.5	176	-12.6	0	0	111.6	M809 S810 K812 L816 Y817 E818	M809-Q814 HydrophobicContact CB-CB 4.25Å; S810-Q814 PolarHBondContact O-N 3.13Å; K812-Q814 VanDerWaalsContact C-N 3.34Å; Q814-L816 VanDerWaalsContact C-N 3.3Å; Q814-L816 PolarHBondContact O-N 2.94Å; Q814-Y817 PolarHBondContact O-N 3.4Å; Q814-Y817 VanDerWaalsContact O-N 3.13Å; Q814-E818 HydrophobicContact CG-CG 4.41Å; Q814-E818 WeakPolarHBondContact CG-OE1 3.47Å; Q814-E818 PolarHBondContact NE2-OE1 3.37Å; Q814-E818 WeakPolarHBondContact O-CG 3.28Å; Q814-E818 PolarHBondContact O-N 3.37Å
815	V	94.4	Very high	91.4	Very high	99 Å²	99	68.9 Å²	68.9	60%	0.6	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-40.1	178.2	172.5	0	0	0	0	111.6	E811 K812 A819	E811-V815 WeakPolarHBondContact O-CG2 3.2Å; E811-V815 PolarHBondContact O-N 3.1Å; K812-V815 PolarHBondContact O-N 3.48Å; V815-A819 VanDerWaalsContact O-CB 3.26Å; V815-A819 WeakPolarHBondContact O-CB 3.42Å; V815-A819 PolarHBondContact O-N 3.22Å
816	L	92.8	Very high	90.6	Very high	35 Å²	35	71 Å²	71	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-40.1	174.6	-69.5	172.8	0	0	0	112.4	K812 Q813 Q814 L820 M845 P849 Q854	K812-L816 WeakPolarHBondContact O-CG 3.48Å; K812-L816 PolarHBondContact O-N 3.32Å; K812-L816 VanDerWaalsContact O-N 3.09Å; Q813-L816 PolarHBondContact O-N 2.67Å; Q814-L816 VanDerWaalsContact C-N 3.3Å; Q814-L816 PolarHBondContact O-N 2.94Å; L816-L820 VanDerWaalsContact O-CB 3.26Å; L816-L820 WeakPolarHBondContact O-CB 3.42Å; L816-L820 PolarHBondContact O-N 3.48Å; L816-M845 HydrophobicContact CB-CE 4.26Å; L816-M845 HydrophobicContact CB-SD 3.86Å; L816-P849 HydrophobicContact CD1-CB 4.17Å; L816-Q854 HydrophobicContact CD2-CB 4.49Å; L816-Q854 HydrophobicContact CD2-CG 4.34Å
817	Y	93.2	Very high	89.4	Confident	16 Å²	16	70.5 Å²	70.5	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-66.1	-44.6	177.5	-175.3	-93.8	0	0	0	112.1	M809 Q813 Q814 L820 L821 L842 M845 A846 S1046 I1047	M809-Y817 HydrophobicContact CE-CD1 4.03Å; M809-Y817 HydrophobicContact CE-CD2 3.89Å; M809-Y817 HydrophobicContact CE-CE1 4.25Å; M809-Y817 HydrophobicContact CE-CE2 4.12Å; M809-Y817 HydrophobicContact CE-CG 3.85Å; M809-Y817 HydrophobicContact SD-CD1 4.42Å; M809-Y817 HydrophobicContact SD-CD2 4.41Å; M809-Y817 HydrophobicContact SD-CG 4.01Å; Q813-Y817 VanDerWaalsContact O-CB 3.32Å; Q813-Y817 WeakPolarHBondContact O-CB 3.46Å; Q813-Y817 PolarHBondContact O-N 3.1Å; Q814-Y817 PolarHBondContact O-N 3.4Å; Q814-Y817 VanDerWaalsContact O-N 3.13Å; Y817-L820 PolarHBondContact O-N 2.94Å; Y817-L821 HydrophobicContact CE1-CD2 4.44Å; Y817-L821 VanDerWaalsContact O-CB 3.22Å; Y817-L821 WeakPolarHBondContact O-CB 3.26Å; Y817-L821 PolarHBondContact O-N 3.45Å; Y817-L842 HydrophobicContact CD2-CD2 4.31Å; Y817-L842 HydrophobicContact CE2-CB 4.09Å; Y817-L842 HydrophobicContact CE2-CD2 3.78Å; Y817-M845 HydrophobicContact CD2-CB 4.03Å; Y817-M845 HydrophobicContact CD2-CG 3.87Å; Y817-M845 HydrophobicContact CG-CG 4.41Å; Y817-A846 HydrophobicContact CE2-CB 4.21Å; Y817-S1046 WeakPolarHBondContact OH-CA 3.47Å; Y817-I1047 PolarHBondContact OH-N 3.34Å
818	E	92.3	Very high	87.9	Confident	105 Å²	105	72.7 Å²	72.7	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-41.3	176	-72.5	-179.6	-156.7	0	0	112.2	Q814 L821 K822	Q814-E818 HydrophobicContact CG-CG 4.41Å; Q814-E818 WeakPolarHBondContact CG-OE1 3.47Å; Q814-E818 PolarHBondContact NE2-OE1 3.37Å; Q814-E818 WeakPolarHBondContact O-CG 3.28Å; Q814-E818 PolarHBondContact O-N 3.37Å; E818-L821 PolarHBondContact O-N 2.92Å; E818-K822 WeakPolarHBondContact O-CB 3.32Å; E818-K822 PolarHBondContact O-N 3.11Å
819	A	91.1	Very high	86.3	Confident	59 Å²	59	77 Å²	77	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-44.4	175.3	0	0	0	0	0	112	V815 K822 K823	V815-A819 VanDerWaalsContact O-CB 3.26Å; V815-A819 WeakPolarHBondContact O-CB 3.42Å; V815-A819 PolarHBondContact O-N 3.22Å; A819-K822 PolarHBondContact O-N 2.98Å; A819-K823 PolarHBondContact O-N 2.85Å
820	L	88.4	Confident	84.6	Confident	9 Å²	9	78 Å²	78	5%	0.047	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-49.4	174.4	-179.9	62.3	0	0	0	110.9	L816 Y817 K822 K823 L824 Q841 L842 M845	L816-L820 VanDerWaalsContact O-CB 3.26Å; L816-L820 WeakPolarHBondContact O-CB 3.42Å; L816-L820 PolarHBondContact O-N 3.48Å; Y817-L820 PolarHBondContact O-N 2.94Å; L820-K822 VanDerWaalsContact C-N 3.28Å; L820-K822 PolarHBondContact O-N 3.32Å; L820-K823 PolarHBondContact O-N 3.31Å; L820-L824 HydrophobicContact CD1-CD1 3.8Å; L820-L824 HydrophobicContact CD1-CD2 4.45Å; L820-L824 HydrophobicContact CD1-CG 4Å; L820-L824 HydrophobicContact CG-CD1 3.83Å; L820-L824 HydrophobicContact CG-CG 4.36Å; L820-L824 VanDerWaalsContact O-CG 3.3Å; L820-L824 WeakPolarHBondContact O-CG 3.49Å; L820-L824 PolarHBondContact O-N 3.5Å; L820-Q841 HydrophobicContact CD2-CB 4.37Å; L820-L842 HydrophobicContact CD2-CD2 4.31Å; L820-L842 HydrophobicContact CG-CD2 4.35Å; L820-M845 HydrophobicContact CD2-CB 3.86Å; L820-M845 HydrophobicContact CD2-CE 4.03Å; L820-M845 HydrophobicContact CD2-CG 4.18Å
821	L	87.9	Confident	83	Confident	46 Å²	46	83.2 Å²	83.2	24%	0.241	44%	0.437	C	S	.	.	H	α-helix	trans	-58.2	-39.9	178	-177.6	63.2	0	0	0	111.9	Y817 E818 K825 L842	Y817-L821 HydrophobicContact CE1-CD2 4.44Å; Y817-L821 VanDerWaalsContact O-CB 3.22Å; Y817-L821 WeakPolarHBondContact O-CB 3.26Å; Y817-L821 PolarHBondContact O-N 3.45Å; E818-L821 PolarHBondContact O-N 2.92Å; L821-K825 HydrophobicContact CD1-CD 4.4Å; L821-K825 HydrophobicContact CG-CD 4.2Å; L821-K825 WeakPolarHBondContact O-CB 3.23Å; L821-K825 WeakPolarHBondContact O-CG 3.26Å; L821-K825 PolarHBondContact O-N 3.1Å; L821-L842 HydrophobicContact CB-CD2 4.17Å; L821-L842 HydrophobicContact CD1-CD1 3.94Å; L821-L842 HydrophobicContact CD1-CD2 4.11Å
822	K	88.1	Confident	81.3	Confident	163 Å²	163	82.8 Å²	82.8	71%	0.709	43%	0.432	S	S	*	.	H	α-helix	trans	-66.5	-45.6	175.6	-172.6	175.6	-179.3	178.5	0	112	E818 A819 L820 K825 S826	E818-K822 WeakPolarHBondContact O-CB 3.32Å; E818-K822 PolarHBondContact O-N 3.11Å; A819-K822 PolarHBondContact O-N 2.98Å; L820-K822 VanDerWaalsContact C-N 3.28Å; L820-K822 PolarHBondContact O-N 3.32Å; K822-K825 PolarHBondContact O-N 3.27Å; K822-S826 PolarHBondContact O-N 3.29Å; K822-S826 PolarHBondContact O-OG 2.88Å
823	K	85.6	Confident	79.7	Confident	137 Å²	137	86.8 Å²	86.8	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-59	-47.9	176.1	-179.7	-175.6	176.5	-173.3	0	111.5	A819 L820 S826 T827	A819-K823 PolarHBondContact O-N 2.85Å; L820-K823 PolarHBondContact O-N 3.31Å; K823-S826 PolarHBondContact O-N 3.04Å; K823-S826 PolarHBondContact O-OG 3.36Å; K823-T827 PolarHBondContact O-N 3.31Å; K823-T827 PolarHBondContact O-OG1 3.39Å
824	L	83.2	Confident	78.2	Confident	15 Å²	15	89.6 Å²	89.6	8%	0.079	46%	0.457	C	S	.	.	H	α-helix	trans	-66.8	-42.8	-177.8	-63.9	177.5	0	0	0	111.3	L820 S826 T827 T828 V838 Q841 L842	L820-L824 HydrophobicContact CD1-CD1 3.8Å; L820-L824 HydrophobicContact CD1-CD2 4.45Å; L820-L824 HydrophobicContact CD1-CG 4Å; L820-L824 HydrophobicContact CG-CD1 3.83Å; L820-L824 HydrophobicContact CG-CG 4.36Å; L820-L824 VanDerWaalsContact O-CG 3.3Å; L820-L824 WeakPolarHBondContact O-CG 3.49Å; L820-L824 PolarHBondContact O-N 3.5Å; L824-S826 PolarHBondContact O-N 3.09Å; L824-T827 PolarHBondContact O-N 3.14Å; L824-T828 PolarHBondContact O-N 3.31Å; L824-T828 PolarHBondContact O-OG1 2.92Å; L824-V838 HydrophobicContact CB-CG1 4.15Å; L824-V838 HydrophobicContact CB-CG2 4.14Å; L824-V838 HydrophobicContact CD1-CB 4.35Å; L824-V838 HydrophobicContact CD1-CG1 4.01Å; L824-V838 HydrophobicContact CD1-CG2 4.3Å; L824-V838 HydrophobicContact CD2-CG2 4.16Å; L824-V838 HydrophobicContact CG-CG2 4.41Å; L824-Q841 HydrophobicContact CD1-CB 4.28Å; L824-L842 HydrophobicContact CD1-CD2 4.39Å; L824-L842 HydrophobicContact CD1-CG 4.26Å
825	K	80.8	Confident	76.9	Confident	146 Å²	146	89 Å²	89	64%	0.635	46%	0.456	S	S	*	.	H	α-helix	trans	-57.2	-28.4	171.9	-78.2	172.6	177.5	175.2	0	114.2	L821 K822	L821-K825 HydrophobicContact CD1-CD 4.4Å; L821-K825 HydrophobicContact CG-CD 4.2Å; L821-K825 WeakPolarHBondContact O-CB 3.23Å; L821-K825 WeakPolarHBondContact O-CG 3.26Å; L821-K825 PolarHBondContact O-N 3.1Å; K822-K825 PolarHBondContact O-N 3.27Å
826	S	79.1	Confident	75.6	Confident	98 Å²	98	88.1 Å²	88.1	69%	0.685	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.6	174.4	54.9	0	0	0	0	114.7	K822 K823 L824	K822-S826 PolarHBondContact O-N 3.29Å; K822-S826 PolarHBondContact O-OG 2.88Å; K823-S826 PolarHBondContact O-N 3.04Å; K823-S826 PolarHBondContact O-OG 3.36Å; L824-S826 PolarHBondContact O-N 3.09Å
827	T	70.2	Confident	74.8	Confident	79 Å²	79	90.9 Å²	90.9	49%	0.485	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-30.7	-177	-48.5	0	0	0	0	112.3	K823 L824 N829	K823-T827 PolarHBondContact O-N 3.31Å; K823-T827 PolarHBondContact O-OG1 3.39Å; L824-T827 PolarHBondContact O-N 3.14Å; T827-N829 PolarHBondContact O-N 3.17Å
828	T	63.7	Low	74.2	Confident	46 Å²	46	91.3 Å²	91.3	28%	0.282	47%	0.473	S	S	.	.			trans	-66.4	115.2	-177.5	46.7	0	0	0	0	112.7	L824 L835 V838	L824-T828 PolarHBondContact O-N 3.31Å; L824-T828 PolarHBondContact O-OG1 2.92Å; T828-L835 HydrophobicContact CG2-CD2 3.92Å; T828-V838 HydrophobicContact CG2-CG2 3.69Å
829	N	60.6	Low	73.8	Confident	146 Å²	146	88.8 Å²	88.8	78%	0.781	46%	0.462	S	S	*	.			trans	-81.5	-6.8	167.4	-71.6	-43.7	0	0	0	112.3	T827 E834	T827-N829 PolarHBondContact O-N 3.17Å; N829-E834 PolarHBondContact N-OE2 3.29Å
830	G	58.6	Low	73.6	Confident	49 Å²	49	89.6 Å²	89.6	51%	0.505	46%	0.456	S	S	.	.	S	Bend	trans	103.9	6.7	175.3	0	0	0	0	0	114
831	E	60.3	Low	73.7	Confident	122 Å²	122	91.4 Å²	91.4	57%	0.57	46%	0.464	S	S	*	.			trans	-70.7	140.5	179.9	-65.8	-164	-178.4	0	0	112.5	R833 E834 L835	E831-R833 VanDerWaalsContact C-N 3.27Å; E831-R833 PolarHBondContact O-N 3.03Å; E831-E834 HydrophobicContact CB-CB 4.44Å; E831-E834 HydrophobicContact CB-CG 4.06Å; E831-E834 PolarHBondContact O-N 2.84Å; E831-L835 WeakPolarHBondContact O-CG 3.43Å; E831-L835 PolarHBondContact O-N 3.42Å
832	K	56.1	Low	73.8	Confident	163 Å²	163	89.6 Å²	89.6	71%	0.709	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-34.8	-175.3	-168.5	-175.6	175.4	-165	0	112.8	C836	K832-C836 PolarHBondContact O-N 2.93Å; K832-C836 PolarHBondContact O-SG 2.84Å
833	R	57.7	Low	74	Confident	196 Å²	196	82.2 Å²	82.2	74%	0.74	42%	0.423	S	S	*	.	H	α-helix	trans	-68	-47.6	176.7	-78.6	179.3	165.6	166.3	-6.8	111.6	E831 L835 C836 N837	E831-R833 VanDerWaalsContact C-N 3.27Å; E831-R833 PolarHBondContact O-N 3.03Å; R833-L835 VanDerWaalsContact C-N 3.34Å; R833-L835 PolarHBondContact O-N 3.01Å; R833-C836 PolarHBondContact O-N 2.93Å; R833-N837 PolarHBondContact O-N 2.98Å
834	E	63.7	Low	74.4	Confident	60 Å²	60	78.4 Å²	78.4	28%	0.28	41%	0.406	S	S	.	.	H	α-helix	trans	-55.1	-49.1	173.4	-64.9	-176.2	145.9	0	0	111.4	N829 E831 C836 N837 V838	N829-E834 PolarHBondContact N-OE2 3.29Å; E831-E834 HydrophobicContact CB-CB 4.44Å; E831-E834 HydrophobicContact CB-CG 4.06Å; E831-E834 PolarHBondContact O-N 2.84Å; E834-C836 VanDerWaalsContact C-N 3.3Å; E834-C836 PolarHBondContact O-N 2.61Å; E834-N837 WeakPolarHBondContact O-CB 3.45Å; E834-N837 PolarHBondContact O-N 2.93Å; E834-N837 VanDerWaalsContact O-N 3.09Å; E834-V838 WeakPolarHBondContact O-CG2 3.23Å; E834-V838 PolarHBondContact O-N 3.42Å
835	L	67.3	Low	74.8	Confident	80 Å²	80	77.7 Å²	77.7	42%	0.419	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-33.4	-176.5	-69.5	169.9	0	0	0	113	T828 E831 R833 M839	T828-L835 HydrophobicContact CG2-CD2 3.92Å; E831-L835 WeakPolarHBondContact O-CG 3.43Å; E831-L835 PolarHBondContact O-N 3.42Å; R833-L835 VanDerWaalsContact C-N 3.34Å; R833-L835 PolarHBondContact O-N 3.01Å; L835-M839 WeakPolarHBondContact O-CB 3.38Å; L835-M839 PolarHBondContact O-N 3.4Å
836	C	66.2	Low	75.4	Confident	80 Å²	80	70.7 Å²	70.7	54%	0.541	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-41.5	173.4	-66.6	0	0	0	0	111.9	K832 R833 E834 M839 M840	K832-C836 PolarHBondContact O-N 2.93Å; K832-C836 PolarHBondContact O-SG 2.84Å; R833-C836 PolarHBondContact O-N 2.93Å; E834-C836 VanDerWaalsContact C-N 3.3Å; E834-C836 PolarHBondContact O-N 2.61Å; C836-M839 PolarHBondContact O-N 3.44Å; C836-M840 WeakPolarHBondContact O-CB 3.41Å; C836-M840 PolarHBondContact O-N 3Å
837	N	77.7	Confident	76.2	Confident	93 Å²	93	66 Å²	66	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.6	-168.9	-2.4	0	0	0	111.3	R833 E834 M839 M840 Q841	R833-N837 PolarHBondContact O-N 2.98Å; E834-N837 WeakPolarHBondContact O-CB 3.45Å; E834-N837 PolarHBondContact O-N 2.93Å; E834-N837 VanDerWaalsContact O-N 3.09Å; N837-M839 PolarHBondContact O-N 3.37Å; N837-M840 WeakPolarHBondContact O-CB 3.15Å; N837-M840 PolarHBondContact O-N 3.01Å; N837-M840 VanDerWaalsContact O-N 3.17Å; N837-Q841 WeakPolarHBondContact O-CG 3.27Å; N837-Q841 PolarHBondContact O-N 3.14Å; N837-Q841 PolarHBondContact OD1-NE2 3Å
838	V	80.6	Confident	77.3	Confident	25 Å²	25	62.3 Å²	62.3	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-54.1	-49.5	172.8	166.3	0	0	0	0	111.5	L824 T828 E834 M840 Q841 L842	L824-V838 HydrophobicContact CB-CG1 4.15Å; L824-V838 HydrophobicContact CB-CG2 4.14Å; L824-V838 HydrophobicContact CD1-CB 4.35Å; L824-V838 HydrophobicContact CD1-CG1 4.01Å; L824-V838 HydrophobicContact CD1-CG2 4.3Å; L824-V838 HydrophobicContact CD2-CG2 4.16Å; L824-V838 HydrophobicContact CG-CG2 4.41Å; T828-V838 HydrophobicContact CG2-CG2 3.69Å; E834-V838 WeakPolarHBondContact O-CG2 3.23Å; E834-V838 PolarHBondContact O-N 3.42Å; V838-M840 VanDerWaalsContact C-N 3.31Å; V838-M840 PolarHBondContact O-N 3.3Å; V838-Q841 PolarHBondContact O-N 2.96Å; V838-L842 HydrophobicContact CG1-CD1 4.05Å; V838-L842 WeakPolarHBondContact O-CG 3.34Å; V838-L842 PolarHBondContact O-N 2.91Å
839	M	83.5	Confident	78.8	Confident	53 Å²	53	60.2 Å²	60.2	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-37.3	180	-154.6	177.2	-165.8	0	0	111.8	L835 C836 N837 R843 Y1015 I1047 I1051	L835-M839 WeakPolarHBondContact O-CB 3.38Å; L835-M839 PolarHBondContact O-N 3.4Å; C836-M839 PolarHBondContact O-N 3.44Å; N837-M839 PolarHBondContact O-N 3.37Å; M839-R843 WeakPolarHBondContact O-CG 3Å; M839-R843 PolarHBondContact O-N 3.13Å; M839-Y1015 HydrophobicContact CE-CE1 3.77Å; M839-Y1015 HydrophobicContact SD-CE1 3.71Å; M839-I1047 HydrophobicContact CE-CD1 3.75Å; M839-I1047 HydrophobicContact CE-CG1 3.84Å; M839-I1047 HydrophobicContact CG-CD1 4.08Å; M839-I1047 HydrophobicContact CG-CG1 3.7Å; M839-I1051 HydrophobicContact CE-CD1 4.19Å; M839-I1051 HydrophobicContact CE-CG1 3.84Å
840	M	87.5	Confident	80.4	Confident	76 Å²	76	53.3 Å²	53.3	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-43.5	175.9	-171.1	61.1	74.3	0	0	112.8	C836 N837 V838 R843 K844 F943	C836-M840 WeakPolarHBondContact O-CB 3.41Å; C836-M840 PolarHBondContact O-N 3Å; N837-M840 WeakPolarHBondContact O-CB 3.15Å; N837-M840 PolarHBondContact O-N 3.01Å; N837-M840 VanDerWaalsContact O-N 3.17Å; V838-M840 VanDerWaalsContact C-N 3.31Å; V838-M840 PolarHBondContact O-N 3.3Å; M840-R843 PolarHBondContact O-N 2.79Å; M840-K844 PolarHBondContact O-N 3.47Å; M840-F943 HydrophobicContact SD-CE1 3.58Å; M840-F943 VanDerWaalsContact SD-CE1 3.58Å; M840-F943 HydrophobicContact SD-CZ 3.61Å
841	Q	88.5	Confident	82	Confident	46 Å²	46	51 Å²	51	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-41.4	177.3	-69.7	175.8	30.1	0	0	111.9	L820 L824 N837 V838 K844 M845	L820-Q841 HydrophobicContact CD2-CB 4.37Å; L824-Q841 HydrophobicContact CD1-CB 4.28Å; N837-Q841 WeakPolarHBondContact O-CG 3.27Å; N837-Q841 PolarHBondContact O-N 3.14Å; N837-Q841 PolarHBondContact OD1-NE2 3Å; V838-Q841 PolarHBondContact O-N 2.96Å; Q841-K844 PolarHBondContact O-N 3.07Å; Q841-M845 PolarHBondContact O-N 2.85Å
842	L	90.5	Very high	83.4	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.5	-67.7	171.9	0	0	0	111.8	Y817 L820 L821 L824 V838 M845 A846 I1047	Y817-L842 HydrophobicContact CD2-CD2 4.31Å; Y817-L842 HydrophobicContact CE2-CB 4.09Å; Y817-L842 HydrophobicContact CE2-CD2 3.78Å; L820-L842 HydrophobicContact CD2-CD2 4.31Å; L820-L842 HydrophobicContact CG-CD2 4.35Å; L821-L842 HydrophobicContact CB-CD2 4.17Å; L821-L842 HydrophobicContact CD1-CD1 3.94Å; L821-L842 HydrophobicContact CD1-CD2 4.11Å; L824-L842 HydrophobicContact CD1-CD2 4.39Å; L824-L842 HydrophobicContact CD1-CG 4.26Å; V838-L842 HydrophobicContact CG1-CD1 4.05Å; V838-L842 WeakPolarHBondContact O-CG 3.34Å; V838-L842 PolarHBondContact O-N 2.91Å; L842-M845 PolarHBondContact O-N 3.21Å; L842-A846 VanDerWaalsContact O-CB 3.29Å; L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 2.7Å; L842-I1047 HydrophobicContact CB-CB 4.21Å; L842-I1047 HydrophobicContact CB-CG2 3.89Å
843	R	92.9	Very high	85	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-46.3	172.9	-81.3	-174.8	64.8	131.9	7.2	112.5	M839 M840 M845 A846 N847 F943 D1012 I1013 Y1015 I1047 I1051	M839-R843 WeakPolarHBondContact O-CG 3Å; M839-R843 PolarHBondContact O-N 3.13Å; M840-R843 PolarHBondContact O-N 2.79Å; R843-M845 PolarHBondContact O-N 3.2Å; R843-A846 PolarHBondContact O-N 2.65Å; R843-N847 PolarHBondContact O-N 3.27Å; R843-N847 VanDerWaalsContact O-N 3.07Å; R843-F943 HydrophobicContact CB-CZ 4.33Å; R843-D1012 IonicContact CZ-OD2 2.77Å; R843-D1012 IonicContact NH2-OD2 2.68Å; R843-D1012 PolarHBondContact NH2-OD2 2.89Å; R843-I1013 VanDerWaalsContact CZ-O 3.24Å; R843-I1013 PolarHBondContact NH1-O 3.23Å; R843-I1013 PolarHBondContact NH2-O 2.82Å; R843-Y1015 WeakPolarHBondContact CD-OH 3.5Å; R843-I1047 HydrophobicContact CB-CG2 4.5Å; R843-I1047 HydrophobicContact CG-CG2 3.82Å; R843-I1051 HydrophobicContact CG-CD1 4.01Å
844	K	93	Very high	86.3	Confident	57 Å²	57	36.6 Å²	36.6	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-49.8	176.5	-78.5	-178.2	165.5	-159.8	0	111.1	M840 Q841 A846 N847 H848 L851 F943	M840-K844 PolarHBondContact O-N 3.47Å; Q841-K844 PolarHBondContact O-N 3.07Å; K844-A846 PolarHBondContact O-N 2.83Å; K844-N847 PolarHBondContact O-N 2.98Å; K844-H848 PolarHBondContact O-N 2.91Å; K844-H848 VanDerWaalsContact O-O 3.09Å; K844-L851 HydrophobicContact CB-CB 3.84Å; K844-L851 HydrophobicContact CD-CB 4.43Å; K844-L851 HydrophobicContact CG-CB 4.11Å; K844-F943 HydrophobicContact CG-CE1 4.06Å; K844-F943 HydrophobicContact CG-CZ 4.23Å
845	M	92.8	Very high	87.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-37.3	179.4	-170	62.4	69.7	0	0	113.3	Q813 L816 Y817 L820 Q841 L842 R843 N847 P849 H852 Q854	Q813-M845 PolarHBondContact NE2-O 3.11Å; L816-M845 HydrophobicContact CB-CE 4.26Å; L816-M845 HydrophobicContact CB-SD 3.86Å; Y817-M845 HydrophobicContact CD2-CB 4.03Å; Y817-M845 HydrophobicContact CD2-CG 3.87Å; Y817-M845 HydrophobicContact CG-CG 4.41Å; L820-M845 HydrophobicContact CD2-CB 3.86Å; L820-M845 HydrophobicContact CD2-CE 4.03Å; L820-M845 HydrophobicContact CD2-CG 4.18Å; Q841-M845 PolarHBondContact O-N 2.85Å; L842-M845 PolarHBondContact O-N 3.21Å; R843-M845 PolarHBondContact O-N 3.2Å; M845-N847 VanDerWaalsContact C-N 3.29Å; M845-N847 PolarHBondContact O-N 3.13Å; M845-P849 HydrophobicContact SD-CB 4.35Å; M845-H852 HydrophobicContact CE-CB 3.75Å; M845-Q854 HydrophobicContact CE-CG 3.91Å
846	A	93.8	Very high	88.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-27.3	176.3	0	0	0	0	0	113.2	M809 Q813 Y817 L842 R843 K844 S1043 E1048	M809-A846 HydrophobicContact CE-CB 4.19Å; Q813-A846 PolarHBondContact NE2-O 3.26Å; Y817-A846 HydrophobicContact CE2-CB 4.21Å; L842-A846 VanDerWaalsContact O-CB 3.29Å; L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 2.7Å; R843-A846 PolarHBondContact O-N 2.65Å; K844-A846 PolarHBondContact O-N 2.83Å; A846-S1043 PolarHBondContact O-OG 2.94Å; A846-E1048 HydrophobicContact CB-CG 4.37Å
847	N	94.1	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-78.3	-61.8	172.6	-89	-36.5	0	0	0	112.4	R843 K844 M845 L851 S917 K919 M946 H1011 D1012	R843-N847 PolarHBondContact O-N 3.27Å; R843-N847 VanDerWaalsContact O-N 3.07Å; K844-N847 PolarHBondContact O-N 2.98Å; M845-N847 VanDerWaalsContact C-N 3.29Å; M845-N847 PolarHBondContact O-N 3.13Å; N847-L851 HydrophobicContact CB-CD1 3.92Å; N847-S917 PolarHBondContact O-OG 2.75Å; N847-K919 PolarHBondContact OD1-NZ 3.23Å; N847-M946 HydrophobicContact CB-SD 4Å; N847-H1011 PolarHBondContact OD1-CE1 3.48Å; N847-H1011 PolarHBondContact OD1-ND1 3.06Å; N847-D1012 WeakPolarHBondContact ND2-CB 3.27Å; N847-D1012 PolarHBondContact ND2-OD2 3.03Å; N847-D1012 WeakPolarHBondContact OD1-CB 3.47Å
848	H	95.2	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.			trans	-157.3	131.5	-177.5	-157.2	-82.8	0	0	0	110.8	K844 L850 L851 S917 F920 M946 I949	K844-H848 PolarHBondContact O-N 2.91Å; K844-H848 VanDerWaalsContact O-O 3.09Å; H848-L850 PolarHBondContact ND1-N 2.84Å; H848-L850 PolarHBondContact O-N 3.13Å; H848-L850 VanDerWaalsContact O-N 3.12Å; H848-L851 HydrophobicContact CB-CD1 4.38Å; H848-L851 HydrophobicContact CB-CG 4.34Å; H848-L851 PolarHBondContact O-N 3.32Å; H848-L851 VanDerWaalsContact O-N 3.1Å; H848-S917 WeakPolarHBondContact CD2-CB 3.48Å; H848-F920 AromaticContact CD2-CD2 3.93Å; H848-F920 AromaticContact CD2-CE2 3.81Å; H848-F920 AromaticContact NE2-CD2 3.7Å; H848-F920 AromaticContact NE2-CE2 3.67Å; H848-M946 HydrophobicContact CB-CE 3.96Å; H848-M946 HydrophobicContact CB-SD 3.74Å; H848-I949 HydrophobicContact CB-CD1 4.28Å
849	P	93.6	Very high	91.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.013	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-50.7	-41.7	-178.6	-29.6	35.1	0	0	0	114	Q813 L816 M845 L851 H852 Y855	Q813-P849 HydrophobicContact CB-CG 3.99Å; Q813-P849 HydrophobicContact CG-CG 3.99Å; L816-P849 HydrophobicContact CD1-CB 4.17Å; M845-P849 HydrophobicContact SD-CB 4.35Å; P849-L851 PolarHBondContact O-N 3.11Å; P849-L851 VanDerWaalsContact O-N 3.11Å; P849-H852 PolarHBondContact O-N 2.91Å; P849-Y855 HydrophobicContact CB-CE2 4.25Å
850	L	93.9	Very high	91.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.7	-8.8	-176.3	-55.2	178.9	0	0	0	115.9	H848 H852 Y855 S890 D891 F892 L909 L914 I949	H848-L850 PolarHBondContact ND1-N 2.84Å; H848-L850 PolarHBondContact O-N 3.13Å; H848-L850 VanDerWaalsContact O-N 3.12Å; L850-H852 PolarHBondContact O-N 3.17Å; L850-Y855 HydrophobicContact CD2-CD2 3.52Å; L850-Y855 HydrophobicContact CD2-CE2 3.59Å; L850-S890 WeakPolarHBondContact O-CB 3.17Å; L850-D891 HydrophobicContact CB-CB 4.39Å; L850-D891 HydrophobicContact CD2-CB 3.79Å; L850-F892 HydrophobicContact CB-CB 3.98Å; L850-F892 HydrophobicContact CD1-CD2 4.34Å; L850-F892 PolarHBondContact O-N 3.33Å; L850-F892 VanDerWaalsContact O-N 3.15Å; L850-L909 HydrophobicContact CD2-CD1 3.49Å; L850-L909 VanDerWaalsContact CD2-CD1 3.49Å; L850-L914 HydrophobicContact CD1-CD2 3.61Å; L850-I949 HydrophobicContact CB-CD1 4.4Å
851	L	92.5	Very high	91.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-73.9	-7.3	169.5	-67.2	175.3	0	0	0	112.5	K844 N847 H848 P849 M945 M946 I949	K844-L851 HydrophobicContact CB-CB 3.84Å; K844-L851 HydrophobicContact CD-CB 4.43Å; K844-L851 HydrophobicContact CG-CB 4.11Å; N847-L851 HydrophobicContact CB-CD1 3.92Å; H848-L851 HydrophobicContact CB-CD1 4.38Å; H848-L851 HydrophobicContact CB-CG 4.34Å; H848-L851 PolarHBondContact O-N 3.32Å; H848-L851 VanDerWaalsContact O-N 3.1Å; P849-L851 PolarHBondContact O-N 3.11Å; P849-L851 VanDerWaalsContact O-N 3.11Å; L851-M945 HydrophobicContact CD2-CB 3.6Å; L851-M946 HydrophobicContact CD1-CB 4.4Å; L851-M946 HydrophobicContact CD1-SD 3.83Å; L851-I949 HydrophobicContact CD2-CD1 3.65Å; L851-I949 HydrophobicContact CG-CD1 3.88Å
852	H	89.5	Confident	92	Very high	40 Å²	40	36.8 Å²	36.8	19%	0.185	17%	0.173	C	C	.	.	S	Bend	trans	-119.8	153.4	175.1	-164	-67.7	0	0	0	109.7	M845 P849 L850 Q854 D891	M845-H852 HydrophobicContact CE-CB 3.75Å; P849-H852 PolarHBondContact O-N 2.91Å; L850-H852 PolarHBondContact O-N 3.17Å; H852-Q854 HydrophobicContact CB-CG 4.37Å; H852-Q854 PolarHBondContact CE1-NE2 3.39Å; H852-Q854 PolarHBondContact ND1-NE2 3.02Å; H852-Q854 VanDerWaalsContact ND1-NE2 3.1Å; H852-D891 VanDerWaalsContact O-CG 3.25Å
853	R	89.8	Confident	92.1	Very high	73 Å²	73	38.2 Å²	38.2	28%	0.275	19%	0.187	S	C	.	.	S	Bend	trans	-76.5	115.7	170.4	-160.1	-179	96.4	-169.9	15.4	109.6	T858 E887 D891 L894	R853-T858 PolarHBondContact NH2-OG1 2.89Å; R853-E887 IonicContact CZ-OE2 2.75Å; R853-E887 VanDerWaalsContact NH1-CB 3.28Å; R853-E887 PolarHBondContact NH1-O 2.87Å; R853-E887 IonicContact NH1-OE2 3.46Å; R853-E887 PolarHBondContact NH1-OE2 2.94Å; R853-E887 IonicContact NH2-OE2 3.36Å; R853-E887 PolarHBondContact NH2-OE2 2.78Å; R853-D891 WeakPolarHBondContact CA-OD1 3.27Å; R853-L894 HydrophobicContact CG-CD1 4.47Å
854	Q	86.4	Confident	92	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.299	19%	0.186	S	C	.	.			trans	-145.5	-51.2	-177.4	-66.4	-66.3	-16.2	0	0	111.9	L816 M845 H852 D891	L816-Q854 HydrophobicContact CD2-CB 4.49Å; L816-Q854 HydrophobicContact CD2-CG 4.34Å; M845-Q854 HydrophobicContact CE-CG 3.91Å; H852-Q854 HydrophobicContact CB-CG 4.37Å; H852-Q854 PolarHBondContact CE1-NE2 3.39Å; H852-Q854 PolarHBondContact ND1-NE2 3.02Å; H852-Q854 VanDerWaalsContact ND1-NE2 3.1Å; Q854-D891 WeakPolarHBondContact CA-OD2 3.4Å; Q854-D891 PolarHBondContact N-OD1 3.42Å; Q854-D891 PolarHBondContact N-OD2 3.37Å
855	Y	88.6	Confident	91.9	Very high	45 Å²	45	35.2 Å²	35.2	18%	0.176	17%	0.174	C	C	.	.	S	Bend	trans	-81.5	-25.8	-178.3	-55.8	-64.6	0	0	0	112.6	P849 L850 T857 K860 D891 L909 L913	P849-Y855 HydrophobicContact CB-CE2 4.25Å; L850-Y855 HydrophobicContact CD2-CD2 3.52Å; L850-Y855 HydrophobicContact CD2-CE2 3.59Å; Y855-T857 PolarHBondContact O-N 2.97Å; Y855-K860 WeakPolarHBondContact O-CD 3.46Å; Y855-K860 PolarHBondContact O-NZ 2.91Å; Y855-D891 WeakPolarHBondContact CD2-OD2 3.32Å; Y855-D891 PolarHBondContact N-OD1 3.33Å; Y855-D891 PolarHBondContact N-OD2 2.83Å; Y855-L909 HydrophobicContact CD2-CD1 4.18Å; Y855-L913 HydrophobicContact CD1-CD2 3.99Å; Y855-L913 HydrophobicContact CD2-CD2 3.9Å; Y855-L913 HydrophobicContact CE1-CD1 4.11Å; Y855-L913 HydrophobicContact CE1-CD2 4.03Å; Y855-L913 HydrophobicContact CE2-CD1 4.28Å; Y855-L913 HydrophobicContact CE2-CD2 3.93Å; Y855-L913 HydrophobicContact CE2-CG 4.09Å; Y855-L913 HydrophobicContact CG-CD2 3.94Å
856	Y	91.8	Very high	91.9	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.012	20%	0.199	C	C	.	.	S	Bend	trans	-91.4	93.8	170.4	-68.1	-87.2	0	0	0	110.6	L861 M864 D891 L894 H895 F907 L909	Y856-L861 HydrophobicContact CD1-CD2 4.49Å; Y856-M864 HydrophobicContact CD1-CE 4.25Å; Y856-M864 HydrophobicContact CD1-SD 3.71Å; Y856-M864 HydrophobicContact CE1-CE 4.14Å; Y856-M864 HydrophobicContact CE1-SD 3.81Å; Y856-D891 HydrophobicContact CD2-CB 3.95Å; Y856-D891 WeakPolarHBondContact CD2-OD1 3.31Å; Y856-D891 HydrophobicContact CE2-CB 4.34Å; Y856-D891 VanDerWaalsContact CE2-O 3.32Å; Y856-D891 WeakPolarHBondContact CE2-O 3.29Å; Y856-D891 PolarHBondContact N-OD1 3.48Å; Y856-D891 VanDerWaalsContact N-OD1 3.13Å; Y856-L894 HydrophobicContact CD1-CB 4.22Å; Y856-L894 HydrophobicContact CD2-CB 3.72Å; Y856-L894 HydrophobicContact CD2-CD1 4.05Å; Y856-L894 HydrophobicContact CE1-CB 4.29Å; Y856-L894 HydrophobicContact CE2-CB 3.77Å; Y856-L894 HydrophobicContact CG-CB 3.95Å; Y856-L894 HydrophobicContact CG-CD1 3.86Å; Y856-H895 HydrophobicContact CE2-CB 4.43Å; Y856-H895 WeakPolarHBondContact OH-CA 3.29Å; Y856-F907 HydrophobicContact CE1-CB 4.24Å; Y856-F907 WeakPolarHBondContact CE1-O 3.44Å; Y856-F907 PolarHBondContact OH-O 3.11Å; Y856-L909 HydrophobicContact CE2-CD1 3.87Å; Y856-L909 HydrophobicContact CE2-CD2 3.85Å; Y856-L909 HydrophobicContact CE2-CG 3.76Å
857	T	92.3	Very high	91.7	Very high	62 Å²	62	42.5 Å²	42.5	38%	0.38	21%	0.209	S	C	.	.			trans	-73	156	173.1	58	0	0	0	0	111.2	Y855 E859 K860 L861	Y855-T857 PolarHBondContact O-N 2.97Å; T857-E859 PolarHBondContact O-N 2.76Å; T857-E859 VanDerWaalsContact O-N 3.14Å; T857-K860 WeakPolarHBondContact O-CA 3.21Å; T857-K860 WeakPolarHBondContact O-CB 3.39Å; T857-K860 PolarHBondContact O-N 2.84Å; T857-L861 PolarHBondContact O-N 3.12Å
858	T	91.3	Very high	91.4	Very high	59 Å²	59	42.5 Å²	42.5	36%	0.362	21%	0.209	S	C	.	.	H	α-helix	trans	-54.2	-34.5	177.4	-57.8	0	0	0	0	112.7	R853 K860 L861 Q862 E887	R853-T858 PolarHBondContact NH2-OG1 2.89Å; T858-K860 PolarHBondContact O-N 3.43Å; T858-L861 PolarHBondContact O-N 2.99Å; T858-Q862 WeakPolarHBondContact O-CB 3.29Å; T858-Q862 PolarHBondContact O-N 3.13Å; T858-E887 WeakPolarHBondContact CG2-OE1 3.48Å
859	E	92.4	Very high	91.1	Very high	155 Å²	155	45.1 Å²	45.1	72%	0.724	22%	0.223	S	C	*	.	H	α-helix	trans	-60.8	-41.3	172.6	-60.4	173.5	165.6	0	0	113	T857 A863	T857-E859 PolarHBondContact O-N 2.76Å; T857-E859 VanDerWaalsContact O-N 3.14Å; E859-A863 PolarHBondContact O-N 3.11Å
860	K	91.8	Very high	90.7	Very high	82 Å²	82	52.2 Å²	52.2	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-40.4	174	-70.4	177.7	179.8	-179.8	0	111.1	Y855 T857 T858 A863 M864 F907	Y855-K860 WeakPolarHBondContact O-CD 3.46Å; Y855-K860 PolarHBondContact O-NZ 2.91Å; T857-K860 WeakPolarHBondContact O-CA 3.21Å; T857-K860 WeakPolarHBondContact O-CB 3.39Å; T857-K860 PolarHBondContact O-N 2.84Å; T858-K860 PolarHBondContact O-N 3.43Å; K860-A863 PolarHBondContact O-N 3.31Å; K860-M864 WeakPolarHBondContact O-CB 3.26Å; K860-M864 WeakPolarHBondContact O-CG 3.46Å; K860-M864 PolarHBondContact O-N 3.41Å; K860-F907 HydrophobicContact CB-CD1 4.47Å; K860-F907 HydrophobicContact CG-CD1 4.49Å
861	L	92.6	Very high	90.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-41.1	178.2	-60.8	-176.7	0	0	0	111.8	Y856 T857 T858 A863 M864 S865 Q883 M886 E887 L894	Y856-L861 HydrophobicContact CD1-CD2 4.49Å; T857-L861 PolarHBondContact O-N 3.12Å; T858-L861 PolarHBondContact O-N 2.99Å; L861-A863 PolarHBondContact O-N 3.26Å; L861-M864 HydrophobicContact CD2-CE 4.4Å; L861-M864 HydrophobicContact CD2-SD 4.29Å; L861-M864 PolarHBondContact O-N 3.34Å; L861-S865 WeakPolarHBondContact O-CB 3.15Å; L861-S865 PolarHBondContact O-N 2.81Å; L861-S865 PolarHBondContact O-OG 3.5Å; L861-Q883 HydrophobicContact CB-CG 4.18Å; L861-M886 HydrophobicContact CD1-CB 4.38Å; L861-M886 HydrophobicContact CD2-CB 4.1Å; L861-M886 HydrophobicContact CD2-SD 4.22Å; L861-E887 HydrophobicContact CD1-CB 4.48Å; L861-E887 HydrophobicContact CD1-CG 3.58Å; L861-L894 HydrophobicContact CD2-CD1 3.93Å; L861-L894 HydrophobicContact CD2-CD2 3.85Å
862	Q	92.3	Very high	89.9	Confident	111 Å²	111	58.9 Å²	58.9	52%	0.519	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-39	173	-167.6	-178.3	26.1	0	0	112.1	T858 S865 Q866	T858-Q862 WeakPolarHBondContact O-CB 3.29Å; T858-Q862 PolarHBondContact O-N 3.13Å; Q862-S865 PolarHBondContact O-OG 3.09Å; Q862-Q866 VanDerWaalsContact O-CG 3.22Å; Q862-Q866 WeakPolarHBondContact O-CG 3.34Å; Q862-Q866 PolarHBondContact O-N 2.89Å
863	A	92.6	Very high	89.5	Confident	40 Å²	40	60.6 Å²	60.6	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-39.4	173.7	0	0	0	0	0	112.1	E859 K860 L861 L867 F907	E859-A863 PolarHBondContact O-N 3.11Å; K860-A863 PolarHBondContact O-N 3.31Å; L861-A863 PolarHBondContact O-N 3.26Å; A863-L867 VanDerWaalsContact O-CG 3.29Å; A863-L867 WeakPolarHBondContact O-CG 3.5Å; A863-L867 PolarHBondContact O-N 3.15Å; A863-F907 HydrophobicContact CB-CE1 4.35Å; A863-F907 HydrophobicContact CB-CZ 4.06Å
864	M	91.8	Very high	89.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-45.4	177.5	-74.4	165.5	56.5	0	0	111.6	Y856 K860 L861 Q866 L867 M868 M886 L894 I904 F907	Y856-M864 HydrophobicContact CD1-CE 4.25Å; Y856-M864 HydrophobicContact CD1-SD 3.71Å; Y856-M864 HydrophobicContact CE1-CE 4.14Å; Y856-M864 HydrophobicContact CE1-SD 3.81Å; K860-M864 WeakPolarHBondContact O-CB 3.26Å; K860-M864 WeakPolarHBondContact O-CG 3.46Å; K860-M864 PolarHBondContact O-N 3.41Å; L861-M864 HydrophobicContact CD2-CE 4.4Å; L861-M864 HydrophobicContact CD2-SD 4.29Å; L861-M864 PolarHBondContact O-N 3.34Å; M864-Q866 VanDerWaalsContact C-N 3.34Å; M864-Q866 PolarHBondContact O-N 2.8Å; M864-L867 CarbonylContact O-C 3.56Å; M864-L867 WeakPolarHBondContact O-CA 3.11Å; M864-L867 WeakPolarHBondContact O-CB 3.27Å; M864-L867 PolarHBondContact O-N 3.39Å; M864-M868 WeakPolarHBondContact O-CG 3.44Å; M864-M868 PolarHBondContact O-N 2.92Å; M864-M886 HydrophobicContact CB-CE 4.07Å; M864-M886 HydrophobicContact CB-SD 4.02Å; M864-M886 HydrophobicContact CE-CE 4.2Å; M864-M886 HydrophobicContact CE-SD 4.18Å; M864-L894 HydrophobicContact CE-CD2 4.38Å; M864-I904 HydrophobicContact CB-CG2 3.87Å; M864-I904 HydrophobicContact CE-CD1 4.17Å; M864-I904 HydrophobicContact CG-CB 4.34Å; M864-I904 HydrophobicContact CG-CG2 4Å; M864-I904 WeakPolarHBondContact O-CG2 3.42Å; M864-F907 HydrophobicContact CG-CB 4.2Å; M864-F907 HydrophobicContact CG-CD1 4.01Å; M864-F907 HydrophobicContact CG-CD2 3.84Å; M864-F907 HydrophobicContact CG-CE1 4.34Å; M864-F907 HydrophobicContact CG-CE2 4.2Å; M864-F907 HydrophobicContact CG-CG 3.75Å; M864-F907 HydrophobicContact CG-CZ 4.43Å; M864-F907 HydrophobicContact SD-CB 3.89Å; M864-F907 HydrophobicContact SD-CD1 4.14Å; M864-F907 HydrophobicContact SD-CG 3.98Å
865	S	91.8	Very high	88.7	Confident	1 Å²	1	60 Å²	60	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-37.1	-179.5	72.5	0	0	0	0	112.8	L861 Q862 L867 M868 A879	L861-S865 WeakPolarHBondContact O-CB 3.15Å; L861-S865 PolarHBondContact O-N 2.81Å; L861-S865 PolarHBondContact O-OG 3.5Å; Q862-S865 PolarHBondContact O-OG 3.09Å; S865-L867 VanDerWaalsContact C-N 3.29Å; S865-L867 PolarHBondContact O-N 3.14Å; S865-M868 PolarHBondContact O-N 3.2Å; S865-A879 WeakPolarHBondContact CB-O 3.21Å; S865-A879 PolarHBondContact OG-O 3.11Å
866	Q	91.3	Very high	88.3	Confident	112 Å²	112	63.5 Å²	63.5	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-25.8	172.4	-66.8	-68.4	-28.4	0	0	113.3	Q862 M864 A879	Q862-Q866 VanDerWaalsContact O-CG 3.22Å; Q862-Q866 WeakPolarHBondContact O-CG 3.34Å; Q862-Q866 PolarHBondContact O-N 2.89Å; M864-Q866 VanDerWaalsContact C-N 3.34Å; M864-Q866 PolarHBondContact O-N 2.8Å; Q866-A879 HydrophobicContact CG-CB 4.49Å
867	L	89.7	Confident	87.9	Confident	41 Å²	41	64 Å²	64	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-82.9	-30.7	173.3	-69.6	170.7	0	0	0	112.3	A863 M864 S865 L869 K870 S903 I904 F907	A863-L867 VanDerWaalsContact O-CG 3.29Å; A863-L867 WeakPolarHBondContact O-CG 3.5Å; A863-L867 PolarHBondContact O-N 3.15Å; M864-L867 CarbonylContact O-C 3.56Å; M864-L867 WeakPolarHBondContact O-CA 3.11Å; M864-L867 WeakPolarHBondContact O-CB 3.27Å; M864-L867 PolarHBondContact O-N 3.39Å; S865-L867 VanDerWaalsContact C-N 3.29Å; S865-L867 PolarHBondContact O-N 3.14Å; L867-L869 PolarHBondContact O-N 3.34Å; L867-K870 HydrophobicContact CD2-CD 4.19Å; L867-K870 VanDerWaalsContact O-CB 3.29Å; L867-K870 WeakPolarHBondContact O-CB 3.48Å; L867-K870 WeakPolarHBondContact O-CG 3.28Å; L867-K870 PolarHBondContact O-N 3.4Å; L867-S903 WeakPolarHBondContact O-CB 3.24Å; L867-S903 PolarHBondContact O-OG 2.81Å; L867-I904 HydrophobicContact CB-CG2 3.89Å; L867-F907 HydrophobicContact CD1-CE2 3.59Å; L867-F907 HydrophobicContact CD1-CZ 4.24Å
868	M	88.1	Confident	87.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-31.3	177.6	-65.5	-98.8	62.9	0	0	112.8	F4 M864 S865 K870 E871 I882 M886 Y901 I904	F4-M868 HydrophobicContact CE2-SD 4.15Å; F4-M868 HydrophobicContact CZ-SD 4.16Å; M864-M868 WeakPolarHBondContact O-CG 3.44Å; M864-M868 PolarHBondContact O-N 2.92Å; S865-M868 PolarHBondContact O-N 3.2Å; M868-K870 PolarHBondContact O-N 2.98Å; M868-E871 HydrophobicContact CE-CG 3.76Å; M868-E871 WeakPolarHBondContact O-CB 3.49Å; M868-E871 PolarHBondContact O-N 3.33Å; M868-I882 HydrophobicContact CB-CD1 3.85Å; M868-I882 HydrophobicContact CB-CG2 4.16Å; M868-I882 HydrophobicContact CG-CG2 4.03Å; M868-M886 HydrophobicContact CG-CE 3.58Å; M868-M886 HydrophobicContact SD-CE 3.62Å; M868-Y901 HydrophobicContact CE-CD1 4.07Å; M868-Y901 HydrophobicContact CE-CD2 3.85Å; M868-Y901 HydrophobicContact CE-CG 3.56Å; M868-Y901 HydrophobicContact SD-CD2 4.4Å; M868-I904 HydrophobicContact CE-CD1 3.96Å; M868-I904 HydrophobicContact CE-CG1 4.01Å; M868-I904 HydrophobicContact CE-CG2 4.41Å; M868-I904 HydrophobicContact CG-CG2 4.15Å; M868-I904 HydrophobicContact SD-CD1 3.78Å; M868-I904 HydrophobicContact SD-CG1 4.4Å
869	L	89.1	Confident	87.6	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.288	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-11.3	173.4	-58.6	-173.4	0	0	0	114.4	L867 H874 A877 A879 I882	L867-L869 PolarHBondContact O-N 3.34Å; L869-H874 WeakPolarHBondContact CD2-O 3.06Å; L869-A877 HydrophobicContact CD2-CB 4.31Å; L869-A877 WeakPolarHBondContact CD2-O 3.05Å; L869-A879 HydrophobicContact CD1-CB 3.95Å; L869-A879 HydrophobicContact CD2-CB 4.31Å; L869-A879 HydrophobicContact CG-CB 4.17Å; L869-I882 HydrophobicContact CD2-CD1 3.95Å
870	K	86	Confident	87.4	Confident	150 Å²	150	55.9 Å²	55.9	65%	0.652	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.2	175.1	-57.3	175	-178.7	176.1	0	113.3	L867 M868	L867-K870 HydrophobicContact CD2-CD 4.19Å; L867-K870 VanDerWaalsContact O-CB 3.29Å; L867-K870 WeakPolarHBondContact O-CB 3.48Å; L867-K870 WeakPolarHBondContact O-CG 3.28Å; L867-K870 PolarHBondContact O-N 3.4Å; M868-K870 PolarHBondContact O-N 2.98Å
871	E	86.6	Confident	87.2	Confident	25 Å²	25	53.2 Å²	53.2	12%	0.117	29%	0.294	C	S	.	.	S	Bend	trans	-81	136	176.9	-65.4	-67.9	173.9	0	0	110	M868 T873 H874 H875 Y901 S902 S903	M868-E871 HydrophobicContact CE-CG 3.76Å; M868-E871 WeakPolarHBondContact O-CB 3.49Å; M868-E871 PolarHBondContact O-N 3.33Å; E871-T873 PolarHBondContact O-N 3.07Å; E871-H874 PolarHBondContact O-N 3.03Å; E871-H875 PolarHBondContact O-N 3.37Å; E871-H875 VanDerWaalsContact O-N 3.17Å; E871-Y901 HydrophobicContact CB-CD1 4.38Å; E871-Y901 HydrophobicContact CG-CD1 3.88Å; E871-Y901 HydrophobicContact CG-CG 4.41Å; E871-S902 PolarHBondContact OE1-N 2.97Å; E871-S902 PolarHBondContact OE1-OG 2.86Å; E871-S903 VanDerWaalsContact CG-OG 3.28Å; E871-S903 WeakPolarHBondContact CG-OG 3.42Å; E871-S903 VanDerWaalsContact OE1-CB 3.32Å; E871-S903 WeakPolarHBondContact OE1-CB 3.4Å; E871-S903 PolarHBondContact OE1-N 3.35Å; E871-S903 PolarHBondContact OE1-OG 3.39Å; E871-S903 VanDerWaalsContact OE1-OG 3.12Å
872	P	81.8	Confident	87.1	Confident	119 Å²	119	53.2 Å²	53.2	77%	0.773	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.4	-178.3	-27.1	35.1	0	0	0	115.2
873	T	81.6	Confident	87	Confident	75 Å²	75	49.7 Å²	49.7	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.2	177.1	43.5	0	0	0	0	114.2	E871	E871-T873 PolarHBondContact O-N 3.07Å
874	H	80.5	Confident	86.9	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.009	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	17	-174.2	-58.1	91.5	0	0	0	112.9	F4 L869 E871 D876 A877 I882 Y901	F4-H874 AromaticContact CD2-CE1 3.43Å; F4-H874 VanDerWaalsContact CD2-CE1 3.43Å; F4-H874 WeakPolarHBondContact CD2-CE1 3.25Å; F4-H874 AromaticContact CD2-NE2 3.15Å; F4-H874 WeakPolarHBondContact CD2-NE2 3.32Å; F4-H874 AromaticContact CE2-CE1 3.85Å; F4-H874 AromaticContact CE2-NE2 3.8Å; F4-H874 AromaticContact CG-NE2 3.43Å; F4-H874 WeakPolarHBondContact CG-NE2 3.32Å; L869-H874 WeakPolarHBondContact CD2-O 3.06Å; E871-H874 PolarHBondContact O-N 3.03Å; H874-D876 PolarHBondContact O-N 3.34Å; H874-A877 HydrophobicContact CB-CB 4.24Å; H874-A877 VanDerWaalsContact O-CB 3.31Å; H874-A877 WeakPolarHBondContact O-CB 3.45Å; H874-A877 PolarHBondContact O-N 3.32Å; H874-I882 HydrophobicContact CB-CD1 4.06Å; H874-Y901 AromaticContact CE1-CZ 3.94Å
875	H	77.9	Confident	86.7	Confident	122 Å²	122	53.9 Å²	53.9	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.5	176.6	152.4	-93.8	0	0	0	113.6	E871 A877	E871-H875 PolarHBondContact O-N 3.37Å; E871-H875 VanDerWaalsContact O-N 3.17Å; H875-A877 VanDerWaalsContact C-N 3.35Å
876	D	81.5	Confident	86.7	Confident	119 Å²	119	53.8 Å²	53.8	64%	0.636	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.4	-177.6	-64.6	-80	0	0	0	113.7	H874	H874-D876 PolarHBondContact O-N 3.34Å
877	A	83.9	Confident	86.6	Confident	13 Å²	13	51.3 Å²	51.3	11%	0.107	28%	0.279	C	S	.	.	S	Bend	trans	-74.8	159.3	-173.2	0	0	0	0	0	113.8	F9 L869 H874 H875 I882	F9-A877 HydrophobicContact CB-CB 3.83Å; F9-A877 HydrophobicContact CD1-CB 3.37Å; F9-A877 HydrophobicContact CE1-CB 4.1Å; F9-A877 HydrophobicContact CG-CB 3.74Å; L869-A877 HydrophobicContact CD2-CB 4.31Å; L869-A877 WeakPolarHBondContact CD2-O 3.05Å; H874-A877 HydrophobicContact CB-CB 4.24Å; H874-A877 VanDerWaalsContact O-CB 3.31Å; H874-A877 WeakPolarHBondContact O-CB 3.45Å; H874-A877 PolarHBondContact O-N 3.32Å; H875-A877 VanDerWaalsContact C-N 3.35Å; A877-I882 HydrophobicContact CB-CD1 3.81Å; A877-I882 HydrophobicContact CB-CG1 4.17Å
878	S	87.5	Confident	86.6	Confident	45 Å²	45	55.8 Å²	55.8	32%	0.315	31%	0.308	S	S	.	.			trans	-86.1	126.2	164.7	177.1	0	0	0	0	110.4	A880 L881 I882	S878-A880 PolarHBondContact O-N 2.84Å; S878-A880 PolarHBondContact OG-N 3.44Å; S878-L881 PolarHBondContact O-N 3.05Å; S878-L881 VanDerWaalsContact O-N 3.13Å; S878-I882 PolarHBondContact O-N 3.48Å
879	A	88.3	Confident	86.6	Confident	9 Å²	9	56.9 Å²	56.9	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-15.4	175	0	0	0	0	0	113.7	S865 Q866 L869 Q883	S865-A879 WeakPolarHBondContact CB-O 3.21Å; S865-A879 PolarHBondContact OG-O 3.11Å; Q866-A879 HydrophobicContact CG-CB 4.49Å; L869-A879 HydrophobicContact CD1-CB 3.95Å; L869-A879 HydrophobicContact CD2-CB 4.31Å; L869-A879 HydrophobicContact CG-CB 4.17Å; A879-Q883 WeakPolarHBondContact O-CB 3.15Å; A879-Q883 PolarHBondContact O-N 2.89Å
880	A	89.3	Confident	86.8	Confident	53 Å²	53	54.6 Å²	54.6	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-72	-50	169.5	0	0	0	0	0	110.7	S878 I882 Q883 E884	S878-A880 PolarHBondContact O-N 2.84Å; S878-A880 PolarHBondContact OG-N 3.44Å; A880-I882 VanDerWaalsContact C-N 3.31Å; A880-I882 PolarHBondContact O-N 2.84Å; A880-Q883 WeakPolarHBondContact O-CA 3.05Å; A880-Q883 WeakPolarHBondContact O-CB 3.4Å; A880-Q883 PolarHBondContact O-N 2.75Å; A880-E884 PolarHBondContact O-N 2.96Å
881	L	88.1	Confident	87.2	Confident	26 Å²	26	47.5 Å²	47.5	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-39.4	176.7	-60.1	175.7	0	0	0	111.7	F9 S878 Q883 E884 D885	F9-L881 HydrophobicContact CD1-CB 4.07Å; F9-L881 HydrophobicContact CD1-CD1 4.36Å; F9-L881 HydrophobicContact CE1-CB 3.57Å; S878-L881 PolarHBondContact O-N 3.05Å; S878-L881 VanDerWaalsContact O-N 3.13Å; L881-Q883 VanDerWaalsContact C-N 3.31Å; L881-Q883 PolarHBondContact O-N 3.3Å; L881-E884 PolarHBondContact O-N 3.5Å; L881-D885 PolarHBondContact O-N 2.59Å
882	I	88.9	Confident	87.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.7	173.8	-62.3	173.8	0	0	0	111	F4 F9 M868 L869 H874 A877 S878 A880 M886	F4-I882 HydrophobicContact CE1-CG2 4.17Å; F4-I882 HydrophobicContact CZ-CG2 4.17Å; F9-I882 HydrophobicContact CD1-CG1 4.32Å; F9-I882 HydrophobicContact CE1-CB 4.45Å; F9-I882 HydrophobicContact CE1-CG1 3.52Å; F9-I882 HydrophobicContact CZ-CG1 3.92Å; M868-I882 HydrophobicContact CB-CD1 3.85Å; M868-I882 HydrophobicContact CB-CG2 4.16Å; M868-I882 HydrophobicContact CG-CG2 4.03Å; L869-I882 HydrophobicContact CD2-CD1 3.95Å; H874-I882 HydrophobicContact CB-CD1 4.06Å; A877-I882 HydrophobicContact CB-CD1 3.81Å; A877-I882 HydrophobicContact CB-CG1 4.17Å; S878-I882 PolarHBondContact O-N 3.48Å; A880-I882 VanDerWaalsContact C-N 3.31Å; A880-I882 PolarHBondContact O-N 2.84Å; I882-M886 HydrophobicContact CG2-CE 3.75Å; I882-M886 HydrophobicContact CG2-CG 4.49Å; I882-M886 HydrophobicContact CG2-SD 4.23Å; I882-M886 WeakPolarHBondContact O-CB 3.32Å; I882-M886 VanDerWaalsContact O-CG 3.24Å; I882-M886 WeakPolarHBondContact O-CG 3.46Å; I882-M886 PolarHBondContact O-N 2.77Å
883	Q	90.9	Very high	88.1	Confident	37 Å²	37	44 Å²	44	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-43.2	176.2	-174.3	-172.2	-42.6	0	0	111.2	L861 A879 A880 L881 M886 E887	L861-Q883 HydrophobicContact CB-CG 4.18Å; A879-Q883 WeakPolarHBondContact O-CB 3.15Å; A879-Q883 PolarHBondContact O-N 2.89Å; A880-Q883 WeakPolarHBondContact O-CA 3.05Å; A880-Q883 WeakPolarHBondContact O-CB 3.4Å; A880-Q883 PolarHBondContact O-N 2.75Å; L881-Q883 VanDerWaalsContact C-N 3.31Å; L881-Q883 PolarHBondContact O-N 3.3Å; Q883-M886 CarbonylContact O-C 3.6Å; Q883-M886 PolarHBondContact O-N 3.42Å; Q883-E887 HydrophobicContact CG-CG 4.35Å; Q883-E887 PolarHBondContact NE2-OE1 3.43Å; Q883-E887 WeakPolarHBondContact O-CB 3.22Å; Q883-E887 WeakPolarHBondContact O-CG 3.43Å; Q883-E887 PolarHBondContact O-N 3.18Å
884	E	89.7	Confident	88.6	Confident	93 Å²	93	40.4 Å²	40.4	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-56.8	-50.7	175.4	-70.9	168.9	-159.5	0	0	111.7	R8 A880 L881 M886 E887	R8-E884 IonicContact CZ-OE2 2.71Å; R8-E884 IonicContact NH1-OE2 2.7Å; R8-E884 PolarHBondContact NH1-OE2 3.42Å; R8-E884 VanDerWaalsContact NH1-OE2 3.11Å; R8-E884 IonicContact NH2-OE2 2.7Å; R8-E884 PolarHBondContact NH2-OE2 2.92Å; A880-E884 PolarHBondContact O-N 2.96Å; L881-E884 PolarHBondContact O-N 3.5Å; E884-M886 VanDerWaalsContact C-N 3.32Å; E884-M886 PolarHBondContact O-N 3.02Å; E884-E887 PolarHBondContact O-N 3.3Å
885	D	89.1	Confident	89.3	Confident	34 Å²	34	40.5 Å²	40.5	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-45.6	176.4	-73.6	14.4	0	0	0	110.6	F4 R8 F9 L881 E887 V888	F4-D885 HydrophobicContact CD1-CB 4.23Å; F4-D885 HydrophobicContact CE1-CB 4.15Å; R8-D885 IonicContact CZ-OD1 3.45Å; R8-D885 IonicContact NH1-OD1 3.86Å; R8-D885 PolarHBondContact NH1-OD1 2.88Å; F9-D885 WeakPolarHBondContact CZ-OD2 3.32Å; L881-D885 PolarHBondContact O-N 2.59Å; D885-E887 VanDerWaalsContact C-N 3.3Å; D885-E887 PolarHBondContact O-N 2.93Å; D885-V888 PolarHBondContact O-N 3.44Å
886	M	90.6	Very high	90	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-27.2	175.5	-77.7	-178.5	-178.5	0	0	114.1	F4 L861 M864 M868 I882 Q883 E884 V888 M889 L894 L897	F4-M886 HydrophobicContact CZ-CE 4.24Å; L861-M886 HydrophobicContact CD1-CB 4.38Å; L861-M886 HydrophobicContact CD2-CB 4.1Å; L861-M886 HydrophobicContact CD2-SD 4.22Å; M864-M886 HydrophobicContact CB-CE 4.07Å; M864-M886 HydrophobicContact CB-SD 4.02Å; M864-M886 HydrophobicContact CE-CE 4.2Å; M864-M886 HydrophobicContact CE-SD 4.18Å; M868-M886 HydrophobicContact CG-CE 3.58Å; M868-M886 HydrophobicContact SD-CE 3.62Å; I882-M886 HydrophobicContact CG2-CE 3.75Å; I882-M886 HydrophobicContact CG2-CG 4.49Å; I882-M886 HydrophobicContact CG2-SD 4.23Å; I882-M886 WeakPolarHBondContact O-CB 3.32Å; I882-M886 VanDerWaalsContact O-CG 3.24Å; I882-M886 WeakPolarHBondContact O-CG 3.46Å; I882-M886 PolarHBondContact O-N 2.77Å; Q883-M886 CarbonylContact O-C 3.6Å; Q883-M886 PolarHBondContact O-N 3.42Å; E884-M886 VanDerWaalsContact C-N 3.32Å; E884-M886 PolarHBondContact O-N 3.02Å; M886-V888 VanDerWaalsContact C-N 3.32Å; M886-V888 PolarHBondContact O-N 3.41Å; M886-M889 HydrophobicContact CG-SD 4.49Å; M886-M889 PolarHBondContact O-N 3.25Å; M886-L894 HydrophobicContact CB-CD2 3.95Å; M886-L894 HydrophobicContact CG-CD2 3.93Å; M886-L897 HydrophobicContact CE-CD2 3.77Å; M886-L897 HydrophobicContact CG-CD2 4.33Å
887	E	90.2	Very high	90.4	Very high	60 Å²	60	32.8 Å²	32.8	28%	0.28	18%	0.179	S	C	.	.	H	α-helix	trans	-74.4	-22.4	-176.7	-84.3	-152.8	-132.7	0	0	113.2	R853 T858 L861 Q883 E884 D885	R853-E887 IonicContact CZ-OE2 2.75Å; R853-E887 VanDerWaalsContact NH1-CB 3.28Å; R853-E887 PolarHBondContact NH1-O 2.87Å; R853-E887 IonicContact NH1-OE2 3.46Å; R853-E887 PolarHBondContact NH1-OE2 2.94Å; R853-E887 IonicContact NH2-OE2 3.36Å; R853-E887 PolarHBondContact NH2-OE2 2.78Å; T858-E887 WeakPolarHBondContact CG2-OE1 3.48Å; L861-E887 HydrophobicContact CD1-CB 4.48Å; L861-E887 HydrophobicContact CD1-CG 3.58Å; Q883-E887 HydrophobicContact CG-CG 4.35Å; Q883-E887 PolarHBondContact NE2-OE1 3.43Å; Q883-E887 WeakPolarHBondContact O-CB 3.22Å; Q883-E887 WeakPolarHBondContact O-CG 3.43Å; Q883-E887 PolarHBondContact O-N 3.18Å; E884-E887 PolarHBondContact O-N 3.3Å; D885-E887 VanDerWaalsContact C-N 3.3Å; D885-E887 PolarHBondContact O-N 2.93Å
888	V	88.1	Confident	90.8	Very high	135 Å²	135	32.2 Å²	32.2	82%	0.818	17%	0.174	S	C	*	.	H	α-helix	trans	-79.8	-20.7	174.2	-172.4	0	0	0	0	112	D885 M886	D885-V888 PolarHBondContact O-N 3.44Å; M886-V888 VanDerWaalsContact C-N 3.32Å; M886-V888 PolarHBondContact O-N 3.41Å
889	M	90.1	Very high	91	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.113	19%	0.185	C	C	.	.	S	Bend	trans	-74.3	151.2	-175.5	-60.2	175.3	73.6	0	0	113.7	M3 M886 E893 L894 L897	M3-M889 HydrophobicContact SD-CE 4.31Å; M886-M889 HydrophobicContact CG-SD 4.49Å; M886-M889 PolarHBondContact O-N 3.25Å; M889-E893 HydrophobicContact CB-CB 4.29Å; M889-E893 HydrophobicContact CE-CB 3.63Å; M889-L894 HydrophobicContact CB-CD1 4.26Å; M889-L894 HydrophobicContact CB-CD2 4.02Å; M889-L894 HydrophobicContact CB-CG 3.79Å; M889-L894 HydrophobicContact CE-CD2 4.41Å; M889-L894 HydrophobicContact SD-CD2 3.94Å; M889-L897 HydrophobicContact CE-CB 4.42Å; M889-L897 HydrophobicContact CE-CD1 4.44Å; M889-L897 HydrophobicContact CE-CD2 4.19Å; M889-L897 HydrophobicContact SD-CD2 4.29Å
890	S	92.6	Very high	91.1	Very high	7 Å²	7	39 Å²	39	5%	0.049	20%	0.199	C	C	.	.			trans	-77.7	161.8	169.5	67.8	0	0	0	0	112.8	L850 F892 E893 L894 M945	L850-S890 WeakPolarHBondContact O-CB 3.17Å; S890-F892 PolarHBondContact O-N 3.02Å; S890-E893 VanDerWaalsContact CB-OE2 3.24Å; S890-E893 WeakPolarHBondContact CB-OE2 3.45Å; S890-E893 PolarHBondContact N-OE2 3.2Å; S890-E893 PolarHBondContact O-N 3.47Å; S890-E893 WeakPolarHBondContact OG-CG 3.48Å; S890-E893 PolarHBondContact OG-N 2.71Å; S890-E893 PolarHBondContact OG-OE2 3.37Å; S890-L894 WeakPolarHBondContact O-CG 3.41Å; S890-L894 PolarHBondContact O-N 2.9Å; S890-M945 WeakPolarHBondContact OG-CE 3.23Å
891	D	93.6	Very high	91.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-32.2	175.8	-74.5	-17.1	0	0	0	112.6	L850 H852 R853 Q854 Y855 Y856 H895 L909	L850-D891 HydrophobicContact CB-CB 4.39Å; L850-D891 HydrophobicContact CD2-CB 3.79Å; H852-D891 VanDerWaalsContact O-CG 3.25Å; R853-D891 WeakPolarHBondContact CA-OD1 3.27Å; Q854-D891 WeakPolarHBondContact CA-OD2 3.4Å; Q854-D891 PolarHBondContact N-OD1 3.42Å; Q854-D891 PolarHBondContact N-OD2 3.37Å; Y855-D891 WeakPolarHBondContact CD2-OD2 3.32Å; Y855-D891 PolarHBondContact N-OD1 3.33Å; Y855-D891 PolarHBondContact N-OD2 2.83Å; Y856-D891 HydrophobicContact CD2-CB 3.95Å; Y856-D891 WeakPolarHBondContact CD2-OD1 3.31Å; Y856-D891 HydrophobicContact CE2-CB 4.34Å; Y856-D891 VanDerWaalsContact CE2-O 3.32Å; Y856-D891 WeakPolarHBondContact CE2-O 3.29Å; Y856-D891 PolarHBondContact N-OD1 3.48Å; Y856-D891 VanDerWaalsContact N-OD1 3.13Å; D891-H895 WeakPolarHBondContact O-CB 3.28Å; D891-H895 PolarHBondContact O-N 3.36Å; D891-L909 HydrophobicContact CB-CD1 4.47Å
892	F	94.1	Very high	91.1	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-40.7	177.4	-174.3	-101.5	0	0	0	112.8	L850 S890 H895 R896 D948 I949 V952	L850-F892 HydrophobicContact CB-CB 3.98Å; L850-F892 HydrophobicContact CD1-CD2 4.34Å; L850-F892 PolarHBondContact O-N 3.33Å; L850-F892 VanDerWaalsContact O-N 3.15Å; S890-F892 PolarHBondContact O-N 3.02Å; F892-H895 PolarHBondContact O-N 3.02Å; F892-R896 PolarHBondContact O-N 2.92Å; F892-D948 HydrophobicContact CD1-CB 4.44Å; F892-D948 HydrophobicContact CE1-CB 3.58Å; F892-D948 HydrophobicContact CZ-CB 4.12Å; F892-I949 HydrophobicContact CB-CD1 4.29Å; F892-I949 HydrophobicContact CB-CG1 4.25Å; F892-I949 HydrophobicContact CD1-CG1 4.01Å; F892-I949 HydrophobicContact CD2-CD1 4.4Å; F892-I949 HydrophobicContact CD2-CG1 3.56Å; F892-I949 HydrophobicContact CE1-CG1 4.26Å; F892-I949 HydrophobicContact CE2-CB 4.44Å; F892-I949 HydrophobicContact CE2-CG1 3.81Å; F892-I949 HydrophobicContact CG-CD1 4.22Å; F892-I949 HydrophobicContact CG-CG1 3.64Å; F892-I949 HydrophobicContact CZ-CG1 4.15Å; F892-V952 HydrophobicContact CE2-CG2 4.04Å; F892-V952 HydrophobicContact CZ-CG2 4.14Å
893	E	93.4	Very high	91.1	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-68.4	-40	176.9	-68	159.5	127	0	0	110.9	M889 S890 H895 R896 L897 M945	M889-E893 HydrophobicContact CB-CB 4.29Å; M889-E893 HydrophobicContact CE-CB 3.63Å; S890-E893 VanDerWaalsContact CB-OE2 3.24Å; S890-E893 WeakPolarHBondContact CB-OE2 3.45Å; S890-E893 PolarHBondContact N-OE2 3.2Å; S890-E893 PolarHBondContact O-N 3.47Å; S890-E893 WeakPolarHBondContact OG-CG 3.48Å; S890-E893 PolarHBondContact OG-N 2.71Å; S890-E893 PolarHBondContact OG-OE2 3.37Å; E893-H895 VanDerWaalsContact C-N 3.34Å; E893-H895 PolarHBondContact O-N 3Å; E893-R896 CarbonylContact O-C 3.55Å; E893-R896 WeakPolarHBondContact O-CB 3.42Å; E893-R896 PolarHBondContact O-N 2.86Å; E893-L897 WeakPolarHBondContact O-CB 3.15Å; E893-L897 PolarHBondContact O-N 3.13Å; E893-M945 HydrophobicContact CG-CE 3.99Å; E893-M945 WeakPolarHBondContact OE2-CE 3.34Å
894	L	93.4	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-38.5	173.3	-68.8	164.1	0	0	0	111.7	R853 Y856 L861 M864 M886 M889 S890 L897 C898	R853-L894 HydrophobicContact CG-CD1 4.47Å; Y856-L894 HydrophobicContact CD1-CB 4.22Å; Y856-L894 HydrophobicContact CD2-CB 3.72Å; Y856-L894 HydrophobicContact CD2-CD1 4.05Å; Y856-L894 HydrophobicContact CE1-CB 4.29Å; Y856-L894 HydrophobicContact CE2-CB 3.77Å; Y856-L894 HydrophobicContact CG-CB 3.95Å; Y856-L894 HydrophobicContact CG-CD1 3.86Å; L861-L894 HydrophobicContact CD2-CD1 3.93Å; L861-L894 HydrophobicContact CD2-CD2 3.85Å; M864-L894 HydrophobicContact CE-CD2 4.38Å; M886-L894 HydrophobicContact CB-CD2 3.95Å; M886-L894 HydrophobicContact CG-CD2 3.93Å; M889-L894 HydrophobicContact CB-CD1 4.26Å; M889-L894 HydrophobicContact CB-CD2 4.02Å; M889-L894 HydrophobicContact CB-CG 3.79Å; M889-L894 HydrophobicContact CE-CD2 4.41Å; M889-L894 HydrophobicContact SD-CD2 3.94Å; S890-L894 WeakPolarHBondContact O-CG 3.41Å; S890-L894 PolarHBondContact O-N 2.9Å; L894-L897 WeakPolarHBondContact O-CB 3.4Å; L894-L897 PolarHBondContact O-N 3.21Å; L894-C898 PolarHBondContact O-N 3.21Å; L894-C898 PolarHBondContact O-SG 3.32Å
895	H	93.7	Very high	91.1	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.023	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-45.6	170.7	173.8	85.1	0	0	0	111.9	Y856 D891 F892 E893 L897 C898 Q899 L909 L914	Y856-H895 HydrophobicContact CE2-CB 4.43Å; Y856-H895 WeakPolarHBondContact OH-CA 3.29Å; D891-H895 WeakPolarHBondContact O-CB 3.28Å; D891-H895 PolarHBondContact O-N 3.36Å; F892-H895 PolarHBondContact O-N 3.02Å; E893-H895 VanDerWaalsContact C-N 3.34Å; E893-H895 PolarHBondContact O-N 3Å; H895-L897 VanDerWaalsContact C-N 3.29Å; H895-L897 PolarHBondContact O-N 3.48Å; H895-C898 CarbonylContact O-C 3.52Å; H895-C898 WeakPolarHBondContact O-CB 3.39Å; H895-C898 PolarHBondContact O-N 3.3Å; H895-C898 VanDerWaalsContact O-N 3.15Å; H895-Q899 PolarHBondContact CD2-NE2 3.23Å; H895-Q899 PolarHBondContact NE2-NE2 3.26Å; H895-Q899 PolarHBondContact O-N 2.87Å; H895-L909 HydrophobicContact CB-CD1 4.44Å; H895-L909 HydrophobicContact CB-CG 4.4Å; H895-L909 PolarHBondContact CE1-O 3.2Å; H895-L909 VanDerWaalsContact CE1-O 3.23Å; H895-L909 PolarHBondContact ND1-N 3.49Å; H895-L909 VanDerWaalsContact ND1-N 3.19Å; H895-L914 WeakPolarHBondContact NE2-CD1 3.28Å
896	R	92.6	Very high	91.2	Very high	79 Å²	79	41.7 Å²	41.7	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-35.9	175.5	-173.7	176.1	-177.8	159	3.4	112	F892 E893 Q899 Q900 D948	F892-R896 PolarHBondContact O-N 2.92Å; E893-R896 CarbonylContact O-C 3.55Å; E893-R896 WeakPolarHBondContact O-CB 3.42Å; E893-R896 PolarHBondContact O-N 2.86Å; R896-Q899 WeakPolarHBondContact O-CB 3.2Å; R896-Q899 PolarHBondContact O-N 3.07Å; R896-Q899 VanDerWaalsContact O-N 3.14Å; R896-Q900 WeakPolarHBondContact O-CG 3.16Å; R896-Q900 PolarHBondContact O-N 3.32Å; R896-Q900 VanDerWaalsContact O-N 3.11Å; R896-D948 IonicContact CZ-OD1 3.84Å; R896-D948 IonicContact NH1-OD1 3.33Å; R896-D948 PolarHBondContact NH1-OD1 2.73Å
897	L	91.5	Very high	91.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-42.1	173.4	-158.9	73.1	0	0	0	111.4	M3 F4 M886 M889 E893 L894 H895 Q899 Q900 Y901 I904	M3-L897 HydrophobicContact CB-CD1 4.46Å; F4-L897 HydrophobicContact CD2-CD1 4.47Å; F4-L897 HydrophobicContact CE2-CD1 3.8Å; F4-L897 HydrophobicContact CE2-CD2 4.12Å; F4-L897 HydrophobicContact CE2-CG 4.39Å; F4-L897 HydrophobicContact CZ-CD1 4.3Å; F4-L897 HydrophobicContact CZ-CD2 3.84Å; M886-L897 HydrophobicContact CE-CD2 3.77Å; M886-L897 HydrophobicContact CG-CD2 4.33Å; M889-L897 HydrophobicContact CE-CB 4.42Å; M889-L897 HydrophobicContact CE-CD1 4.44Å; M889-L897 HydrophobicContact CE-CD2 4.19Å; M889-L897 HydrophobicContact SD-CD2 4.29Å; E893-L897 WeakPolarHBondContact O-CB 3.15Å; E893-L897 PolarHBondContact O-N 3.13Å; L894-L897 WeakPolarHBondContact O-CB 3.4Å; L894-L897 PolarHBondContact O-N 3.21Å; H895-L897 VanDerWaalsContact C-N 3.29Å; H895-L897 PolarHBondContact O-N 3.48Å; L897-Q899 PolarHBondContact O-N 3.24Å; L897-Q900 PolarHBondContact O-N 2.76Å; L897-Q900 VanDerWaalsContact O-N 3.09Å; L897-Y901 HydrophobicContact CD1-CD2 4.08Å; L897-Y901 HydrophobicContact CD1-CE2 3.77Å; L897-Y901 HydrophobicContact CG-CD2 4.14Å; L897-Y901 HydrophobicContact CG-CE2 4.33Å; L897-Y901 PolarHBondContact O-N 2.81Å; L897-Y901 VanDerWaalsContact O-N 3.13Å; L897-I904 HydrophobicContact CD2-CD1 4.3Å; L897-I904 HydrophobicContact CG-CD1 4.12Å
898	C	92.1	Very high	91.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-21.2	172.3	-60.1	0	0	0	0	113.2	L894 H895 G905 Q908	L894-C898 PolarHBondContact O-N 3.21Å; L894-C898 PolarHBondContact O-SG 3.32Å; H895-C898 CarbonylContact O-C 3.52Å; H895-C898 WeakPolarHBondContact O-CB 3.39Å; H895-C898 PolarHBondContact O-N 3.3Å; H895-C898 VanDerWaalsContact O-N 3.15Å; C898-G905 WeakPolarHBondContact O-CA 3.4Å; C898-Q908 HydrophobicContact CB-CB 4.4Å; C898-Q908 HydrophobicContact CB-CG 3.5Å; C898-Q908 PolarHBondContact O-NE2 3.49Å
899	Q	90.6	Very high	91.6	Very high	113 Å²	113	40.2 Å²	40.2	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-79.7	-30.6	170	-65	-179.6	-2.8	0	0	112.9	H895 R896 L897	H895-Q899 PolarHBondContact CD2-NE2 3.23Å; H895-Q899 PolarHBondContact NE2-NE2 3.26Å; H895-Q899 PolarHBondContact O-N 2.87Å; R896-Q899 WeakPolarHBondContact O-CB 3.2Å; R896-Q899 PolarHBondContact O-N 3.07Å; R896-Q899 VanDerWaalsContact O-N 3.14Å; L897-Q899 PolarHBondContact O-N 3.24Å
900	Q	90	Very high	91.6	Very high	82 Å²	82	44.8 Å²	44.8	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-77.5	-37.1	-178.3	-74	174.8	-9	0	0	113	R896 L897	R896-Q900 WeakPolarHBondContact O-CG 3.16Å; R896-Q900 PolarHBondContact O-N 3.32Å; R896-Q900 VanDerWaalsContact O-N 3.11Å; L897-Q900 PolarHBondContact O-N 2.76Å; L897-Q900 VanDerWaalsContact O-N 3.09Å
901	Y	90.3	Very high	91.4	Very high	43 Å²	43	48.1 Å²	48.1	17%	0.169	26%	0.261	C	S	.	.			trans	-115.1	128.2	-171.9	-63.8	-74.2	0	0	0	113.1	F4 M868 E871 H874 L897 S903 I904 G905	F4-Y901 HydrophobicContact CD2-CE2 4.46Å; F4-Y901 HydrophobicContact CE2-CE2 4.12Å; M868-Y901 HydrophobicContact CE-CD1 4.07Å; M868-Y901 HydrophobicContact CE-CD2 3.85Å; M868-Y901 HydrophobicContact CE-CG 3.56Å; M868-Y901 HydrophobicContact SD-CD2 4.4Å; E871-Y901 HydrophobicContact CB-CD1 4.38Å; E871-Y901 HydrophobicContact CG-CD1 3.88Å; E871-Y901 HydrophobicContact CG-CG 4.41Å; H874-Y901 AromaticContact CE1-CZ 3.94Å; L897-Y901 HydrophobicContact CD1-CD2 4.08Å; L897-Y901 HydrophobicContact CD1-CE2 3.77Å; L897-Y901 HydrophobicContact CG-CD2 4.14Å; L897-Y901 HydrophobicContact CG-CE2 4.33Å; L897-Y901 PolarHBondContact O-N 2.81Å; L897-Y901 VanDerWaalsContact O-N 3.13Å; Y901-S903 PolarHBondContact O-N 2.92Å; Y901-I904 PolarHBondContact O-N 2.87Å; Y901-G905 PolarHBondContact O-N 3.27Å
902	S	88.1	Confident	91.3	Very high	106 Å²	106	52.5 Å²	52.5	74%	0.741	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66	-36.2	-174.7	69.6	0	0	0	0	113.3	E871 I904 G905	E871-S902 PolarHBondContact OE1-N 2.97Å; E871-S902 PolarHBondContact OE1-OG 2.86Å; S902-I904 VanDerWaalsContact C-N 3.27Å; S902-I904 PolarHBondContact O-N 2.97Å; S902-G905 PolarHBondContact O-N 3.02Å
903	S	89.1	Confident	91.1	Very high	25 Å²	25	53.1 Å²	53.1	18%	0.175	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.8	-176.4	62.6	0	0	0	0	114.1	L867 E871 Y901	L867-S903 WeakPolarHBondContact O-CB 3.24Å; L867-S903 PolarHBondContact O-OG 2.81Å; E871-S903 VanDerWaalsContact CG-OG 3.28Å; E871-S903 WeakPolarHBondContact CG-OG 3.42Å; E871-S903 VanDerWaalsContact OE1-CB 3.32Å; E871-S903 WeakPolarHBondContact OE1-CB 3.4Å; E871-S903 PolarHBondContact OE1-N 3.35Å; E871-S903 PolarHBondContact OE1-OG 3.39Å; E871-S903 VanDerWaalsContact OE1-OG 3.12Å; Y901-S903 PolarHBondContact O-N 2.92Å
904	I	91.1	Very high	90.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-111.9	5.6	179.6	55	162.9	0	0	0	113	M864 L867 M868 L897 Y901 S902 S906 F907	M864-I904 HydrophobicContact CB-CG2 3.87Å; M864-I904 HydrophobicContact CE-CD1 4.17Å; M864-I904 HydrophobicContact CG-CB 4.34Å; M864-I904 HydrophobicContact CG-CG2 4Å; M864-I904 WeakPolarHBondContact O-CG2 3.42Å; L867-I904 HydrophobicContact CB-CG2 3.89Å; M868-I904 HydrophobicContact CE-CD1 3.96Å; M868-I904 HydrophobicContact CE-CG1 4.01Å; M868-I904 HydrophobicContact CE-CG2 4.41Å; M868-I904 HydrophobicContact CG-CG2 4.15Å; M868-I904 HydrophobicContact SD-CD1 3.78Å; M868-I904 HydrophobicContact SD-CG1 4.4Å; L897-I904 HydrophobicContact CD2-CD1 4.3Å; L897-I904 HydrophobicContact CG-CD1 4.12Å; Y901-I904 PolarHBondContact O-N 2.87Å; S902-I904 VanDerWaalsContact C-N 3.27Å; S902-I904 PolarHBondContact O-N 2.97Å; I904-S906 PolarHBondContact O-N 3.08Å; I904-F907 HydrophobicContact CB-CD2 4.48Å; I904-F907 WeakPolarHBondContact O-CB 3.48Å; I904-F907 PolarHBondContact O-N 3.13Å
905	G	88.9	Confident	90.9	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.7	-21.9	-179.7	0	0	0	0	0	114.9	C898 Y901 S902 F907 Q908	C898-G905 WeakPolarHBondContact O-CA 3.4Å; Y901-G905 PolarHBondContact O-N 3.27Å; S902-G905 PolarHBondContact O-N 3.02Å; G905-F907 PolarHBondContact O-N 3.38Å; G905-Q908 WeakPolarHBondContact O-CG 3.44Å; G905-Q908 PolarHBondContact O-N 3.16Å
906	S	91.6	Very high	90.9	Very high	103 Å²	103	53.2 Å²	53.2	72%	0.72	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-68.5	-10	172.4	57.8	0	0	0	0	114.7	I904	I904-S906 PolarHBondContact O-N 3.08Å
907	F	92	Very high	91	Very high	51 Å²	51	49.4 Å²	49.4	22%	0.224	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-102.2	9.5	179.7	-63.8	-96	0	0	0	112.9	Y856 K860 A863 M864 L867 I904 G905 L909	Y856-F907 HydrophobicContact CE1-CB 4.24Å; Y856-F907 WeakPolarHBondContact CE1-O 3.44Å; Y856-F907 PolarHBondContact OH-O 3.11Å; K860-F907 HydrophobicContact CB-CD1 4.47Å; K860-F907 HydrophobicContact CG-CD1 4.49Å; A863-F907 HydrophobicContact CB-CE1 4.35Å; A863-F907 HydrophobicContact CB-CZ 4.06Å; M864-F907 HydrophobicContact CG-CB 4.2Å; M864-F907 HydrophobicContact CG-CD1 4.01Å; M864-F907 HydrophobicContact CG-CD2 3.84Å; M864-F907 HydrophobicContact CG-CE1 4.34Å; M864-F907 HydrophobicContact CG-CE2 4.2Å; M864-F907 HydrophobicContact CG-CG 3.75Å; M864-F907 HydrophobicContact CG-CZ 4.43Å; M864-F907 HydrophobicContact SD-CB 3.89Å; M864-F907 HydrophobicContact SD-CD1 4.14Å; M864-F907 HydrophobicContact SD-CG 3.98Å; L867-F907 HydrophobicContact CD1-CE2 3.59Å; L867-F907 HydrophobicContact CD1-CZ 4.24Å; I904-F907 HydrophobicContact CB-CD2 4.48Å; I904-F907 WeakPolarHBondContact O-CB 3.48Å; I904-F907 PolarHBondContact O-N 3.13Å; G905-F907 PolarHBondContact O-N 3.38Å; F907-L909 PolarHBondContact O-N 2.92Å
908	Q	92.4	Very high	91.1	Very high	94 Å²	94	49.4 Å²	49.4	44%	0.439	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-63.8	127.6	173.9	-68.9	176.1	23.5	0	0	111.5	C898 G905	C898-Q908 HydrophobicContact CB-CB 4.4Å; C898-Q908 HydrophobicContact CB-CG 3.5Å; C898-Q908 PolarHBondContact O-NE2 3.49Å; G905-Q908 WeakPolarHBondContact O-CG 3.44Å; G905-Q908 PolarHBondContact O-N 3.16Å
909	L	92	Very high	91.3	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.099	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.7	144.3	168.3	-53.2	-178.1	0	0	0	113.1	L850 Y855 Y856 D891 H895 F907 L913 L914	L850-L909 HydrophobicContact CD2-CD1 3.49Å; L850-L909 VanDerWaalsContact CD2-CD1 3.49Å; Y855-L909 HydrophobicContact CD2-CD1 4.18Å; Y856-L909 HydrophobicContact CE2-CD1 3.87Å; Y856-L909 HydrophobicContact CE2-CD2 3.85Å; Y856-L909 HydrophobicContact CE2-CG 3.76Å; D891-L909 HydrophobicContact CB-CD1 4.47Å; H895-L909 HydrophobicContact CB-CD1 4.44Å; H895-L909 HydrophobicContact CB-CG 4.4Å; H895-L909 PolarHBondContact CE1-O 3.2Å; H895-L909 VanDerWaalsContact CE1-O 3.23Å; H895-L909 PolarHBondContact ND1-N 3.49Å; H895-L909 VanDerWaalsContact ND1-N 3.19Å; F907-L909 PolarHBondContact O-N 2.92Å; L909-L913 HydrophobicContact CB-CD2 4.35Å; L909-L913 HydrophobicContact CD1-CD2 4.28Å; L909-L913 HydrophobicContact CD2-CD2 4.24Å; L909-L914 HydrophobicContact CB-CD2 4.2Å
910	D	91	Very high	91.5	Very high	118 Å²	118	44.1 Å²	44.1	63%	0.631	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-62.7	144.4	175.6	-65.2	-64.7	0	0	0	113.1	S912 L913 L914	D910-S912 PolarHBondContact O-N 3.2Å; D910-S912 VanDerWaalsContact O-N 3.15Å; D910-L913 WeakPolarHBondContact O-CA 3.2Å; D910-L913 WeakPolarHBondContact O-CB 3.35Å; D910-L913 PolarHBondContact O-N 2.84Å; D910-L914 PolarHBondContact O-N 3.16Å; D910-L914 VanDerWaalsContact O-N 3.14Å
911	T	89	Confident	91.7	Very high	78 Å²	78	44.7 Å²	44.7	48%	0.479	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-29.9	176.8	-44.1	0	0	0	0	113.2	L913 L914 L915	T911-L913 PolarHBondContact O-N 3.32Å; T911-L914 PolarHBondContact O-N 3.28Å; T911-L915 HydrophobicContact CG2-CD1 4.23Å; T911-L915 WeakPolarHBondContact O-CG 3.46Å; T911-L915 PolarHBondContact O-N 3.31Å
912	S	90.3	Very high	91.9	Very high	91 Å²	91	45.7 Å²	45.7	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-65.4	-23.9	174.1	54.1	0	0	0	0	113.4	D910	D910-S912 PolarHBondContact O-N 3.2Å; D910-S912 VanDerWaalsContact O-N 3.15Å
913	L	89.6	Confident	92.3	Very high	28 Å²	28	40.6 Å²	40.6	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-88.9	-30.7	174.5	-162.4	67.5	0	0	0	111.8	Y855 L909 D910 T911 L915 D916	Y855-L913 HydrophobicContact CD1-CD2 3.99Å; Y855-L913 HydrophobicContact CD2-CD2 3.9Å; Y855-L913 HydrophobicContact CE1-CD1 4.11Å; Y855-L913 HydrophobicContact CE1-CD2 4.03Å; Y855-L913 HydrophobicContact CE2-CD1 4.28Å; Y855-L913 HydrophobicContact CE2-CD2 3.93Å; Y855-L913 HydrophobicContact CE2-CG 4.09Å; Y855-L913 HydrophobicContact CG-CD2 3.94Å; L909-L913 HydrophobicContact CB-CD2 4.35Å; L909-L913 HydrophobicContact CD1-CD2 4.28Å; L909-L913 HydrophobicContact CD2-CD2 4.24Å; D910-L913 WeakPolarHBondContact O-CA 3.2Å; D910-L913 WeakPolarHBondContact O-CB 3.35Å; D910-L913 PolarHBondContact O-N 2.84Å; T911-L913 PolarHBondContact O-N 3.32Å; L913-L915 PolarHBondContact O-N 2.98Å; L913-D916 PolarHBondContact O-N 2.93Å
914	L	90.5	Very high	92.6	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-17.9	171.5	-55.9	-178	0	0	0	113.6	L850 H895 L909 D910 T911 V952	L850-L914 HydrophobicContact CD1-CD2 3.61Å; H895-L914 WeakPolarHBondContact NE2-CD1 3.28Å; L909-L914 HydrophobicContact CB-CD2 4.2Å; D910-L914 PolarHBondContact O-N 3.16Å; D910-L914 VanDerWaalsContact O-N 3.14Å; T911-L914 PolarHBondContact O-N 3.28Å; L914-V952 HydrophobicContact CB-CG1 4.31Å; L914-V952 HydrophobicContact CD1-CG1 4.13Å
915	L	93	Very high	92.8	Very high	33 Å²	33	51.4 Å²	51.4	17%	0.173	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	4.7	-179.6	-59	174.4	0	0	0	112.9	T911 L913 S917 L953 H956	T911-L915 HydrophobicContact CG2-CD1 4.23Å; T911-L915 WeakPolarHBondContact O-CG 3.46Å; T911-L915 PolarHBondContact O-N 3.31Å; L913-L915 PolarHBondContact O-N 2.98Å; L915-S917 PolarHBondContact O-N 3.44Å; L915-L953 HydrophobicContact CD2-CB 4.13Å; L915-L953 HydrophobicContact CD2-CD1 3.84Å; L915-H956 HydrophobicContact CD1-CB 4.46Å
916	D	93.3	Very high	93.1	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.118	28%	0.275	C	S	.	.			trans	-89	82.5	-174.5	-165.9	-9.8	0	0	0	112	S810 K812 L913	S810-D916 WeakPolarHBondContact CB-OD1 3.19Å; S810-D916 PolarHBondContact OG-OD1 2.96Å; K812-D916 WeakPolarHBondContact CD-OD2 3.24Å; K812-D916 WeakPolarHBondContact CE-OD2 3.35Å; K812-D916 IonicContact NZ-OD2 2.78Å; K812-D916 PolarHBondContact NZ-OD2 3.11Å; L913-D916 PolarHBondContact O-N 2.93Å
917	S	94.8	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.			trans	-145.5	143.6	167.7	165.3	0	0	0	0	110.9	N847 H848 L915 K919 F920 L921	N847-S917 PolarHBondContact O-OG 2.75Å; H848-S917 WeakPolarHBondContact CD2-CB 3.48Å; L915-S917 PolarHBondContact O-N 3.44Å; S917-K919 VanDerWaalsContact C-N 3.28Å; S917-K919 PolarHBondContact O-N 3.03Å; S917-K919 PolarHBondContact OG-N 3.05Å; S917-F920 WeakPolarHBondContact O-CB 3.28Å; S917-F920 PolarHBondContact O-N 3.42Å; S917-L921 PolarHBondContact O-N 2.9Å; S917-L921 VanDerWaalsContact O-N 3.11Å
918	G	94.1	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-41	174.1	0	0	0	0	0	113.3	S808 F920 L921 H922	S808-G918 WeakPolarHBondContact O-CA 3.31Å; G918-F920 VanDerWaalsContact C-N 3.32Å; G918-F920 PolarHBondContact O-N 2.95Å; G918-L921 PolarHBondContact O-N 2.89Å; G918-H922 PolarHBondContact O-N 3.49Å; G918-H922 PolarHBondContact O-ND1 3.43Å
919	K	95.5	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-34.6	174.7	-68.7	-168.8	-179.7	-174.1	0	112	C807 N847 S917 H922 L923 H1011 L1041 S1043 E1048	C807-K919 HydrophobicContact CB-CG 4.1Å; N847-K919 PolarHBondContact OD1-NZ 3.23Å; S917-K919 VanDerWaalsContact C-N 3.28Å; S917-K919 PolarHBondContact O-N 3.03Å; S917-K919 PolarHBondContact OG-N 3.05Å; K919-H922 PolarHBondContact O-N 2.98Å; K919-L923 WeakPolarHBondContact O-CB 3.4Å; K919-L923 PolarHBondContact O-N 2.88Å; K919-H1011 PolarHBondContact NZ-O 3.23Å; K919-L1041 HydrophobicContact CD-CB 4.3Å; K919-L1041 WeakPolarHBondContact CE-O 3.29Å; K919-L1041 PolarHBondContact NZ-O 3.41Å; K919-L1041 VanDerWaalsContact NZ-O 3.08Å; K919-S1043 WeakPolarHBondContact CE-OG 3.22Å; K919-E1048 WeakPolarHBondContact CE-OE2 3.34Å; K919-E1048 IonicContact NZ-OE1 2.63Å; K919-E1048 PolarHBondContact NZ-OE1 3.47Å; K919-E1048 IonicContact NZ-OE2 2.65Å; K919-E1048 PolarHBondContact NZ-OE2 3.02Å
920	F	95.9	Very high	93.9	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-33.4	179.8	-85.8	15.8	0	0	0	113.6	H848 S917 G918 L923 K924 M946 I949 V950 L953 H1011	H848-F920 AromaticContact CD2-CD2 3.93Å; H848-F920 AromaticContact CD2-CE2 3.81Å; H848-F920 AromaticContact NE2-CD2 3.7Å; H848-F920 AromaticContact NE2-CE2 3.67Å; S917-F920 WeakPolarHBondContact O-CB 3.28Å; S917-F920 PolarHBondContact O-N 3.42Å; G918-F920 VanDerWaalsContact C-N 3.32Å; G918-F920 PolarHBondContact O-N 2.95Å; F920-L923 HydrophobicContact CD1-CD2 4.33Å; F920-L923 HydrophobicContact CE1-CD2 4.39Å; F920-K924 VanDerWaalsContact O-CB 3.24Å; F920-K924 WeakPolarHBondContact O-CB 3.47Å; F920-K924 PolarHBondContact O-N 2.91Å; F920-M946 HydrophobicContact CD1-CE 4.34Å; F920-M946 HydrophobicContact CE1-CE 3.32Å; F920-M946 HydrophobicContact CZ-CE 3.48Å; F920-M946 VanDerWaalsContact CZ-CE 3.48Å; F920-I949 HydrophobicContact CE2-CG2 3.72Å; F920-I949 HydrophobicContact CZ-CB 4.46Å; F920-I949 HydrophobicContact CZ-CG2 3.7Å; F920-V950 HydrophobicContact CE1-CG2 3.73Å; F920-V950 HydrophobicContact CZ-CG2 3.87Å; F920-L953 HydrophobicContact CB-CD2 4.48Å; F920-L953 HydrophobicContact CD1-CD2 3.98Å; F920-L953 HydrophobicContact CD2-CB 4.34Å; F920-L953 HydrophobicContact CD2-CD2 4.11Å; F920-L953 HydrophobicContact CE1-CD2 4.1Å; F920-L953 HydrophobicContact CE2-CB 3.93Å; F920-L953 HydrophobicContact CE2-CD2 4.24Å; F920-L953 HydrophobicContact CG-CD2 3.95Å; F920-L953 HydrophobicContact CZ-CB 4.21Å; F920-L953 HydrophobicContact CZ-CD2 4.22Å; F920-H1011 AromaticContact CE1-NE2 3.88Å
921	L	93.9	Very high	94	Very high	93 Å²	93	44 Å²	44	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-52.3	171.5	-64.9	172	0	0	0	110.8	S917 G918 K924 E925	S917-L921 PolarHBondContact O-N 2.9Å; S917-L921 VanDerWaalsContact O-N 3.11Å; G918-L921 PolarHBondContact O-N 2.89Å; L921-K924 PolarHBondContact O-N 2.82Å; L921-E925 PolarHBondContact O-N 3.48Å
922	H	94.6	Very high	94.2	Very high	64 Å²	64	44.9 Å²	44.9	30%	0.296	25%	0.246	S	C	.	.	H	α-helix	trans	-66.7	-42.3	179.7	-63.4	71.1	0	0	0	111.7	S808 G918 K919 K924 E925 L926	S808-H922 PolarHBondContact N-CE1 2.82Å; G918-H922 PolarHBondContact O-N 3.49Å; G918-H922 PolarHBondContact O-ND1 3.43Å; K919-H922 PolarHBondContact O-N 2.98Å; H922-K924 VanDerWaalsContact C-N 3.33Å; H922-K924 PolarHBondContact O-N 2.86Å; H922-E925 PolarHBondContact O-N 3.32Å; H922-L926 VanDerWaalsContact O-CB 3.27Å; H922-L926 WeakPolarHBondContact O-CB 3.46Å; H922-L926 PolarHBondContact O-N 3.03Å
923	L	95.9	Very high	94.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-35.9	178.5	-179.7	61.5	0	0	0	112.3	K919 F920 L927 L939 L953 I1009 L1041	K919-L923 WeakPolarHBondContact O-CB 3.4Å; K919-L923 PolarHBondContact O-N 2.88Å; F920-L923 HydrophobicContact CD1-CD2 4.33Å; F920-L923 HydrophobicContact CE1-CD2 4.39Å; L923-L927 HydrophobicContact CD1-CD1 3.92Å; L923-L927 HydrophobicContact CD1-CD2 4.43Å; L923-L927 HydrophobicContact CD1-CG 3.86Å; L923-L927 HydrophobicContact CG-CD1 3.87Å; L923-L927 HydrophobicContact CG-CG 4.25Å; L923-L927 VanDerWaalsContact O-CB 3.31Å; L923-L927 WeakPolarHBondContact O-CB 3.37Å; L923-L927 VanDerWaalsContact O-CG 3.24Å; L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 2.82Å; L923-L939 HydrophobicContact CD1-CD1 4.05Å; L923-L939 HydrophobicContact CD2-CD1 3.99Å; L923-L953 HydrophobicContact CD2-CD2 3.8Å; L923-L953 HydrophobicContact CG-CD2 4.2Å; L923-I1009 HydrophobicContact CD1-CD1 3.87Å; L923-I1009 HydrophobicContact CD1-CG2 4.46Å; L923-L1041 HydrophobicContact CB-CD1 4.36Å; L923-L1041 HydrophobicContact CD1-CD1 4.32Å
924	K	95.4	Very high	94.5	Very high	108 Å²	108	47.1 Å²	47.1	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-45.5	175.7	174.5	-179.8	173.6	-169.3	0	112	F920 L921 H922 A928 L957	F920-K924 VanDerWaalsContact O-CB 3.24Å; F920-K924 WeakPolarHBondContact O-CB 3.47Å; F920-K924 PolarHBondContact O-N 2.91Å; L921-K924 PolarHBondContact O-N 2.82Å; H922-K924 VanDerWaalsContact C-N 3.33Å; H922-K924 PolarHBondContact O-N 2.86Å; K924-A928 WeakPolarHBondContact O-CB 3.46Å; K924-A928 PolarHBondContact O-N 3.36Å; K924-A928 VanDerWaalsContact O-N 3.14Å; K924-L957 HydrophobicContact CD-CD2 4.35Å; K924-L957 HydrophobicContact CG-CD1 4.31Å; K924-L957 HydrophobicContact CG-CD2 4.07Å
925	E	95.1	Very high	94.8	Very high	144 Å²	144	47.3 Å²	47.3	67%	0.673	26%	0.259	S	S	*	.	H	α-helix	trans	-67	-42.2	177.5	-67.6	178.4	-179	0	0	111.3	L921 H922 A928 S929	L921-E925 PolarHBondContact O-N 3.48Å; H922-E925 PolarHBondContact O-N 3.32Å; E925-A928 PolarHBondContact O-N 2.85Å; E925-S929 PolarHBondContact O-N 3.15Å
926	L	95.8	Very high	94.9	Very high	25 Å²	25	47 Å²	47	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-51.9	176	178.4	59.2	0	0	0	112.1	H922 A928 S929 L930 I1009 I1039	H922-L926 VanDerWaalsContact O-CB 3.27Å; H922-L926 WeakPolarHBondContact O-CB 3.46Å; H922-L926 PolarHBondContact O-N 3.03Å; L926-A928 VanDerWaalsContact C-N 3.3Å; L926-A928 PolarHBondContact O-N 3.17Å; L926-S929 WeakPolarHBondContact O-CB 3.19Å; L926-S929 PolarHBondContact O-N 2.87Å; L926-S929 VanDerWaalsContact O-N 3.14Å; L926-L930 HydrophobicContact CD1-CD1 3.87Å; L926-L930 HydrophobicContact CD1-CD2 4.43Å; L926-L930 HydrophobicContact CD1-CG 3.96Å; L926-L930 HydrophobicContact CG-CD1 3.92Å; L926-L930 HydrophobicContact CG-CG 4.38Å; L926-L930 VanDerWaalsContact O-CG 3.31Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 3.33Å; L926-I1009 HydrophobicContact CD2-CD1 3.76Å; L926-I1009 HydrophobicContact CD2-CG1 4.36Å; L926-I1009 HydrophobicContact CG-CD1 4.36Å; L926-I1039 HydrophobicContact CD1-CD1 3.69Å; L926-I1039 HydrophobicContact CD2-CD1 3.84Å; L926-I1039 HydrophobicContact CD2-CG2 4.01Å; L926-I1039 HydrophobicContact CG-CD1 4.31Å
927	L	96.5	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-37.2	179.1	-73.2	173.5	0	0	0	112.3	L923 R931 V937 L954 L957 F987 V988 I1009	L923-L927 HydrophobicContact CD1-CD1 3.92Å; L923-L927 HydrophobicContact CD1-CD2 4.43Å; L923-L927 HydrophobicContact CD1-CG 3.86Å; L923-L927 HydrophobicContact CG-CD1 3.87Å; L923-L927 HydrophobicContact CG-CG 4.25Å; L923-L927 VanDerWaalsContact O-CB 3.31Å; L923-L927 WeakPolarHBondContact O-CB 3.37Å; L923-L927 VanDerWaalsContact O-CG 3.24Å; L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 2.82Å; L927-R931 VanDerWaalsContact O-CB 3.27Å; L927-R931 WeakPolarHBondContact O-CB 3.37Å; L927-R931 PolarHBondContact O-N 3.28Å; L927-V937 HydrophobicContact CD2-CG1 4.35Å; L927-V937 HydrophobicContact CD2-CG2 4.35Å; L927-L954 HydrophobicContact CD1-CD2 3.75Å; L927-L957 HydrophobicContact CD1-CD1 4.48Å; L927-F987 HydrophobicContact CB-CE1 4.24Å; L927-F987 HydrophobicContact CD2-CE1 3.91Å; L927-F987 HydrophobicContact CD2-CZ 4.11Å; L927-F987 WeakPolarHBondContact O-CZ 3.29Å; L927-V988 HydrophobicContact CD2-CG2 4.23Å; L927-I1009 HydrophobicContact CD2-CD1 4.37Å
928	A	95.5	Very high	95.1	Very high	59 Å²	59	46 Å²	46	49%	0.488	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-44.1	174	0	0	0	0	0	111.9	K924 E925 L926 S932	K924-A928 WeakPolarHBondContact O-CB 3.46Å; K924-A928 PolarHBondContact O-N 3.36Å; K924-A928 VanDerWaalsContact O-N 3.14Å; E925-A928 PolarHBondContact O-N 2.85Å; L926-A928 VanDerWaalsContact C-N 3.3Å; L926-A928 PolarHBondContact O-N 3.17Å; A928-S932 PolarHBondContact O-N 3.05Å; A928-S932 VanDerWaalsContact O-N 3.13Å
929	S	96	Very high	95.2	Very high	55 Å²	55	46 Å²	46	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-51.7	175.6	-175.9	0	0	0	0	111.9	E925 L926 R931 S932 Q933	E925-S929 PolarHBondContact O-N 3.15Å; L926-S929 WeakPolarHBondContact O-CB 3.19Å; L926-S929 PolarHBondContact O-N 2.87Å; L926-S929 VanDerWaalsContact O-N 3.14Å; S929-R931 VanDerWaalsContact C-N 3.34Å; S929-R931 PolarHBondContact O-N 3.31Å; S929-S932 PolarHBondContact O-N 3.05Å; S929-S932 VanDerWaalsContact O-N 3.12Å; S929-S932 PolarHBondContact O-OG 3.15Å; S929-Q933 PolarHBondContact O-N 2.96Å; S929-Q933 VanDerWaalsContact O-N 3.15Å; S929-Q933 PolarHBondContact O-NE2 3.35Å; S929-Q933 PolarHBondContact OG-NE2 2.92Å; S929-Q933 VanDerWaalsContact OG-NE2 3.12Å
930	L	95.7	Very high	95.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-37.9	179.7	-65.5	178.8	0	0	0	112.5	L926 S932 Q933 G934 D935 V937 F987 V1007 I1009	L926-L930 HydrophobicContact CD1-CD1 3.87Å; L926-L930 HydrophobicContact CD1-CD2 4.43Å; L926-L930 HydrophobicContact CD1-CG 3.96Å; L926-L930 HydrophobicContact CG-CD1 3.92Å; L926-L930 HydrophobicContact CG-CG 4.38Å; L926-L930 VanDerWaalsContact O-CG 3.31Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 3.33Å; L930-S932 VanDerWaalsContact C-N 3.31Å; L930-S932 PolarHBondContact O-N 2.85Å; L930-Q933 PolarHBondContact O-N 2.83Å; L930-G934 PolarHBondContact O-N 2.79Å; L930-D935 HydrophobicContact CB-CB 4.21Å; L930-D935 HydrophobicContact CD2-CB 4.31Å; L930-D935 WeakPolarHBondContact CD2-OD2 3.31Å; L930-D935 PolarHBondContact O-N 2.71Å; L930-D935 VanDerWaalsContact O-N 3.09Å; L930-V937 HydrophobicContact CB-CG2 4.37Å; L930-V937 HydrophobicContact CD1-CG2 3.85Å; L930-F987 HydrophobicContact CB-CE2 4.42Å; L930-F987 HydrophobicContact CB-CZ 4.14Å; L930-V1007 HydrophobicContact CD1-CB 4.36Å; L930-V1007 HydrophobicContact CD1-CG1 3.84Å; L930-V1007 HydrophobicContact CD1-CG2 4.43Å; L930-V1007 HydrophobicContact CD2-CG2 3.99Å; L930-I1009 HydrophobicContact CD1-CD1 4.33Å
931	R	93.6	Very high	95.2	Very high	112 Å²	112	45.9 Å²	45.9	42%	0.423	25%	0.25	S	C	.	.	H	α-helix	trans	-65.9	-35.2	175.6	-171	57.3	176.1	-179.2	-1.4	111.9	L927 S929 Q933 G934 F987	L927-R931 VanDerWaalsContact O-CB 3.27Å; L927-R931 WeakPolarHBondContact O-CB 3.37Å; L927-R931 PolarHBondContact O-N 3.28Å; S929-R931 VanDerWaalsContact C-N 3.34Å; S929-R931 PolarHBondContact O-N 3.31Å; R931-Q933 VanDerWaalsContact C-N 3.32Å; R931-G934 PolarHBondContact O-N 2.92Å; R931-F987 HydrophobicContact CB-CE1 3.85Å; R931-F987 HydrophobicContact CB-CE2 4.04Å; R931-F987 HydrophobicContact CB-CZ 3.59Å; R931-F987 HydrophobicContact CG-CE1 4.37Å; R931-F987 HydrophobicContact CG-CZ 4.39Å
932	S	94	Very high	95.2	Very high	97 Å²	97	43.4 Å²	43.4	68%	0.678	24%	0.236	S	C	*	.	H	α-helix	trans	-70.8	-26.2	176.2	77.4	0	0	0	0	113.6	A928 S929 L930	A928-S932 PolarHBondContact O-N 3.05Å; A928-S932 VanDerWaalsContact O-N 3.13Å; S929-S932 PolarHBondContact O-N 3.05Å; S929-S932 VanDerWaalsContact O-N 3.12Å; S929-S932 PolarHBondContact O-OG 3.15Å; L930-S932 VanDerWaalsContact C-N 3.31Å; L930-S932 PolarHBondContact O-N 2.85Å
933	Q	93.6	Very high	95.1	Very high	119 Å²	119	41.7 Å²	41.7	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-86	-6.6	176.7	-70.7	176.1	80.9	0	0	113.6	S929 L930 R931 D935	S929-Q933 PolarHBondContact O-N 2.96Å; S929-Q933 VanDerWaalsContact O-N 3.15Å; S929-Q933 PolarHBondContact O-NE2 3.35Å; S929-Q933 PolarHBondContact OG-NE2 2.92Å; S929-Q933 VanDerWaalsContact OG-NE2 3.12Å; L930-Q933 PolarHBondContact O-N 2.83Å; R931-Q933 VanDerWaalsContact C-N 3.32Å; Q933-D935 VanDerWaalsContact C-N 3.34Å; Q933-D935 VanDerWaalsContact CB-OD2 3.28Å; Q933-D935 WeakPolarHBondContact CB-OD2 3.4Å
934	G	92.7	Very high	94.9	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	32.1	-176.1	0	0	0	0	0	113	L930 R931 R1034	L930-G934 PolarHBondContact O-N 2.79Å; R931-G934 PolarHBondContact O-N 2.92Å; G934-R1034 PolarHBondContact O-NH1 3.14Å
935	D	95.1	Very high	94.8	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	23%	0.231	C	C	.	.			trans	-81.8	160.4	173.6	-65	-49.8	0	0	0	111.8	L930 Q933 F987 N1006 V1007 R1034	L930-D935 HydrophobicContact CB-CB 4.21Å; L930-D935 HydrophobicContact CD2-CB 4.31Å; L930-D935 WeakPolarHBondContact CD2-OD2 3.31Å; L930-D935 PolarHBondContact O-N 2.71Å; L930-D935 VanDerWaalsContact O-N 3.09Å; Q933-D935 VanDerWaalsContact C-N 3.34Å; Q933-D935 VanDerWaalsContact CB-OD2 3.28Å; Q933-D935 WeakPolarHBondContact CB-OD2 3.4Å; D935-F987 WeakPolarHBondContact O-CD2 3.49Å; D935-F987 VanDerWaalsContact O-CE2 3.28Å; D935-F987 WeakPolarHBondContact O-CE2 3.49Å; D935-N1006 WeakPolarHBondContact CA-OD1 3.41Å; D935-N1006 PolarHBondContact OD1-ND2 3.21Å; D935-V1007 HydrophobicContact CB-CG2 3.94Å; D935-R1034 IonicContact OD1-CZ 3.74Å; D935-R1034 IonicContact OD1-NH2 3.11Å; D935-R1034 PolarHBondContact OD1-NH2 3.37Å
936	R	95.3	Very high	94.8	Very high	27 Å²	27	34.4 Å²	34.4	10%	0.102	20%	0.199	C	C	.	.			trans	-124.7	131	173.8	-63	-169.2	73	-138.5	11.4	110.5	Y980 D983 I986 S1004 N1006 V1007	R936-Y980 VanDerWaalsContact CZ-O 3.27Å; R936-Y980 PolarHBondContact NH1-O 3.34Å; R936-Y980 PolarHBondContact NH2-O 3.24Å; R936-D983 PolarHBondContact NH2-O 2.68Å; R936-I986 PolarHBondContact NE-O 2.88Å; R936-I986 PolarHBondContact NH2-O 2.9Å; R936-S1004 PolarHBondContact NH1-O 3.36Å; R936-S1004 PolarHBondContact NH1-OG 3.3Å; R936-S1004 VanDerWaalsContact NH1-OG 3.14Å; R936-N1006 PolarHBondContact N-OD1 3.27Å; R936-N1006 PolarHBondContact O-N 3.03Å; R936-V1007 PolarHBondContact O-N 3.44Å; R936-V1007 VanDerWaalsContact O-N 3.11Å
937	V	96.7	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.6	-159	-176	0	0	0	0	111.1	L927 L930 Y980 F987 V988 F989 V1007 I1009	L927-V937 HydrophobicContact CD2-CG1 4.35Å; L927-V937 HydrophobicContact CD2-CG2 4.35Å; L930-V937 HydrophobicContact CB-CG2 4.37Å; L930-V937 HydrophobicContact CD1-CG2 3.85Å; V937-Y980 PolarHBondContact N-OH 3.4Å; V937-Y980 PolarHBondContact O-OH 2.7Å; V937-F987 HydrophobicContact CG2-CD2 4.39Å; V937-F987 HydrophobicContact CG2-CE2 3.74Å; V937-F987 HydrophobicContact CG2-CZ 3.97Å; V937-F987 PolarHBondContact N-O 2.97Å; V937-V988 HydrophobicContact CB-CG2 4.44Å; V937-V988 CarbonylContact O-C 3.56Å; V937-V988 VanDerWaalsContact O-CA 3.27Å; V937-V988 WeakPolarHBondContact O-CA 3.49Å; V937-F989 PolarHBondContact O-N 2.78Å; V937-V1007 CarbonylContact C-O 3.57Å; V937-V1007 WeakPolarHBondContact CA-O 3.2Å; V937-V1007 HydrophobicContact CG2-CB 4.41Å; V937-I1009 HydrophobicContact CG1-CD1 3.6Å; V937-I1009 HydrophobicContact CG1-CG1 3.88Å
938	V	96.2	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.9	164.6	175.6	0	0	0	0	108	F940 Y980 F989 L991 L1002 A1005 V1007 V1008 I1009	V938-F940 HydrophobicContact CB-CE2 4.44Å; V938-F940 HydrophobicContact CG1-CD2 3.95Å; V938-F940 HydrophobicContact CG1-CE1 4.42Å; V938-F940 HydrophobicContact CG1-CE2 3.42Å; V938-F940 VanDerWaalsContact CG1-CE2 3.42Å; V938-F940 HydrophobicContact CG1-CZ 3.7Å; V938-Y980 HydrophobicContact CG2-CE1 4.46Å; V938-F989 HydrophobicContact CG2-CB 4.05Å; V938-L991 HydrophobicContact CG1-CD1 3.51Å; V938-L991 HydrophobicContact CG1-CG 4.26Å; V938-L1002 HydrophobicContact CG1-CD1 4.13Å; V938-L1002 HydrophobicContact CG2-CB 4.45Å; V938-L1002 HydrophobicContact CG2-CD1 4.01Å; V938-A1005 HydrophobicContact CG2-CB 3.47Å; V938-A1005 VanDerWaalsContact CG2-CB 3.47Å; V938-V1007 PolarHBondContact N-O 3.19Å; V938-V1008 CarbonylContact O-C 3.46Å; V938-V1008 WeakPolarHBondContact O-CA 3.15Å; V938-I1009 PolarHBondContact O-N 3.33Å
939	L	96.8	Very high	94.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.6	178.8	-173.1	156.4	0	0	0	109.6	L923 L947 V950 V988 F989 L990 L991 I1009 H1011	L923-L939 HydrophobicContact CD1-CD1 4.05Å; L923-L939 HydrophobicContact CD2-CD1 3.99Å; L939-L947 HydrophobicContact CD2-CD2 4.18Å; L939-V950 HydrophobicContact CD1-CG1 4.29Å; L939-V988 HydrophobicContact CB-CG1 4.26Å; L939-F989 PolarHBondContact N-O 2.91Å; L939-L990 HydrophobicContact CB-CD2 4.17Å; L939-L990 HydrophobicContact CD2-CD2 4.12Å; L939-L991 PolarHBondContact O-N 3.25Å; L939-I1009 CarbonylContact C-O 3.59Å; L939-I1009 WeakPolarHBondContact CA-O 3.44Å; L939-I1009 HydrophobicContact CB-CB 4.45Å; L939-I1009 HydrophobicContact CD1-CG2 4.36Å; L939-I1009 HydrophobicContact CG-CB 4.28Å; L939-I1009 HydrophobicContact CG-CG2 4.31Å; L939-H1011 HydrophobicContact CD2-CB 4.08Å
940	F	95.8	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.8	174.6	-67	-83.6	0	0	0	111.4	V938 L991 V1008 I1009 L1010 H1011 A1023	V938-F940 HydrophobicContact CB-CE2 4.44Å; V938-F940 HydrophobicContact CG1-CD2 3.95Å; V938-F940 HydrophobicContact CG1-CE1 4.42Å; V938-F940 HydrophobicContact CG1-CE2 3.42Å; V938-F940 VanDerWaalsContact CG1-CE2 3.42Å; V938-F940 HydrophobicContact CG1-CZ 3.7Å; F940-L991 VanDerWaalsContact CA-O 3.32Å; F940-L991 WeakPolarHBondContact CA-O 3.22Å; F940-L991 HydrophobicContact CD1-CB 3.58Å; F940-L991 HydrophobicContact CD1-CD1 4.2Å; F940-L991 HydrophobicContact CE1-CB 3.69Å; F940-L991 HydrophobicContact CE1-CD1 3.46Å; F940-L991 VanDerWaalsContact CE1-CD1 3.46Å; F940-L991 HydrophobicContact CE1-CG 4.22Å; F940-L991 HydrophobicContact CG-CB 4.42Å; F940-L991 HydrophobicContact CZ-CD1 3.69Å; F940-V1008 HydrophobicContact CD2-CG1 3.76Å; F940-V1008 HydrophobicContact CE2-CG1 3.79Å; F940-I1009 PolarHBondContact N-O 2.77Å; F940-L1010 HydrophobicContact CB-CD2 3.82Å; F940-L1010 HydrophobicContact CD2-CD2 3.78Å; F940-L1010 HydrophobicContact CG-CD2 4.14Å; F940-H1011 WeakPolarHBondContact O-CB 3.03Å; F940-H1011 PolarHBondContact O-N 2.77Å; F940-A1023 HydrophobicContact CD1-CB 4.02Å; F940-A1023 HydrophobicContact CD2-CB 4.06Å; F940-A1023 HydrophobicContact CE1-CB 3.77Å; F940-A1023 HydrophobicContact CE2-CB 3.81Å; F940-A1023 HydrophobicContact CG-CB 4.15Å; F940-A1023 HydrophobicContact CZ-CB 3.66Å
941	S	95.4	Very high	94.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.6	163.3	-178.1	0	0	0	0	110.9	F943 L991 S992 T993 D1012	S941-F943 VanDerWaalsContact C-N 3.32Å; S941-F943 PolarHBondContact OG-N 2.61Å; S941-L991 PolarHBondContact N-O 3.4Å; S941-L991 VanDerWaalsContact N-O 3.11Å; S941-S992 CarbonylContact O-C 3.6Å; S941-S992 VanDerWaalsContact O-CA 3.27Å; S941-S992 WeakPolarHBondContact O-CA 3.37Å; S941-T993 PolarHBondContact O-N 3.42Å; S941-T993 PolarHBondContact O-OG1 3.19Å; S941-D1012 VanDerWaalsContact CA-OD1 3.31Å; S941-D1012 WeakPolarHBondContact CA-OD1 3.48Å; S941-D1012 WeakPolarHBondContact CB-OD1 3.2Å; S941-D1012 PolarHBondContact OG-OD1 2.88Å
942	Q	92.7	Very high	94.8	Very high	41 Å²	41	26.5 Å²	26.5	19%	0.192	15%	0.154	C	C	.	.	S	Bend	trans	-74.5	-24.7	174.2	-59.1	-66.5	-10.7	0	0	112.3	T993 D1012 D1014	Q942-T993 PolarHBondContact NE2-OG1 3.23Å; Q942-D1012 WeakPolarHBondContact CB-OD2 3.28Å; Q942-D1012 PolarHBondContact N-OD1 2.7Å; Q942-D1014 PolarHBondContact NE2-OD2 2.76Å
943	F	92.3	Very high	94.9	Very high	28 Å²	28	22.1 Å²	22.1	12%	0.123	12%	0.122	C	C	.	.			trans	-105	117.2	-176.3	-60.2	-82.9	0	0	0	111.1	M840 R843 K844 S941 M945 M946 L947 D1012	M840-F943 HydrophobicContact SD-CE1 3.58Å; M840-F943 VanDerWaalsContact SD-CE1 3.58Å; M840-F943 HydrophobicContact SD-CZ 3.61Å; R843-F943 HydrophobicContact CB-CZ 4.33Å; K844-F943 HydrophobicContact CG-CE1 4.06Å; K844-F943 HydrophobicContact CG-CZ 4.23Å; S941-F943 VanDerWaalsContact C-N 3.32Å; S941-F943 PolarHBondContact OG-N 2.61Å; F943-M945 VanDerWaalsContact C-N 3.27Å; F943-M945 PolarHBondContact O-N 3.17Å; F943-M946 HydrophobicContact CB-CB 3.85Å; F943-M946 VanDerWaalsContact O-CB 3.29Å; F943-M946 WeakPolarHBondContact O-CB 3.37Å; F943-M946 PolarHBondContact O-N 2.7Å; F943-L947 PolarHBondContact O-N 3.11Å; F943-D1012 WeakPolarHBondContact CD2-OD2 3.27Å; F943-D1012 VanDerWaalsContact CE2-OD2 3.23Å; F943-D1012 WeakPolarHBondContact CE2-OD2 3.35Å
944	T	92.9	Very high	95.1	Very high	60 Å²	60	16.5 Å²	16.5	37%	0.368	10%	0.096	S	C	.	.	H	α-helix	trans	-56.5	-42.1	173.5	46.1	0	0	0	0	112.1	M946 L947 D948 D965	T944-M946 PolarHBondContact O-N 2.93Å; T944-L947 WeakPolarHBondContact O-CA 3.44Å; T944-L947 VanDerWaalsContact O-CB 3.25Å; T944-L947 WeakPolarHBondContact O-CB 3.17Å; T944-L947 PolarHBondContact O-N 2.98Å; T944-D948 PolarHBondContact O-N 3.21Å; T944-D948 VanDerWaalsContact O-N 3.15Å; T944-D948 VanDerWaalsContact O-OD2 3.13Å; T944-D965 HydrophobicContact CG2-CB 4Å
945	M	92.6	Very high	95.2	Very high	38 Å²	38	19.8 Å²	19.8	19%	0.187	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-30.8	174.3	-54.5	171	75.6	0	0	113.2	L851 S890 E893 F943 L947 D948 I949	L851-M945 HydrophobicContact CD2-CB 3.6Å; S890-M945 WeakPolarHBondContact OG-CE 3.23Å; E893-M945 HydrophobicContact CG-CE 3.99Å; E893-M945 WeakPolarHBondContact OE2-CE 3.34Å; F943-M945 VanDerWaalsContact C-N 3.27Å; F943-M945 PolarHBondContact O-N 3.17Å; M945-L947 VanDerWaalsContact C-N 3.34Å; M945-D948 PolarHBondContact O-N 3.15Å; M945-I949 WeakPolarHBondContact O-CG1 3.44Å; M945-I949 PolarHBondContact O-N 3.29Å
946	M	95.4	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.1	-33.4	175.5	-170.5	67.6	-126.1	0	0	110.8	N847 H848 L851 F920 F943 T944 I949 V950	N847-M946 HydrophobicContact CB-SD 4Å; H848-M946 HydrophobicContact CB-CE 3.96Å; H848-M946 HydrophobicContact CB-SD 3.74Å; L851-M946 HydrophobicContact CD1-CB 4.4Å; L851-M946 HydrophobicContact CD1-SD 3.83Å; F920-M946 HydrophobicContact CD1-CE 4.34Å; F920-M946 HydrophobicContact CE1-CE 3.32Å; F920-M946 HydrophobicContact CZ-CE 3.48Å; F920-M946 VanDerWaalsContact CZ-CE 3.48Å; F943-M946 HydrophobicContact CB-CB 3.85Å; F943-M946 VanDerWaalsContact O-CB 3.29Å; F943-M946 WeakPolarHBondContact O-CB 3.37Å; F943-M946 PolarHBondContact O-N 2.7Å; T944-M946 PolarHBondContact O-N 2.93Å; M946-I949 HydrophobicContact CE-CB 4.14Å; M946-I949 HydrophobicContact CE-CG2 4.2Å; M946-I949 PolarHBondContact O-N 2.74Å; M946-V950 HydrophobicContact CE-CG2 3.91Å; M946-V950 VanDerWaalsContact O-CG2 3.29Å; M946-V950 WeakPolarHBondContact O-CG2 3.4Å; M946-V950 PolarHBondContact O-N 3.24Å
947	L	95.8	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-42.4	171.7	-52.2	177.8	0	0	0	110.9	L939 F943 T944 M945 I949 V950 E951 D965 L990	L939-L947 HydrophobicContact CD2-CD2 4.18Å; F943-L947 PolarHBondContact O-N 3.11Å; T944-L947 WeakPolarHBondContact O-CA 3.44Å; T944-L947 VanDerWaalsContact O-CB 3.25Å; T944-L947 WeakPolarHBondContact O-CB 3.17Å; T944-L947 PolarHBondContact O-N 2.98Å; M945-L947 VanDerWaalsContact C-N 3.34Å; L947-I949 VanDerWaalsContact C-N 3.28Å; L947-I949 PolarHBondContact O-N 3.36Å; L947-V950 CarbonylContact O-C 3.56Å; L947-V950 PolarHBondContact O-N 2.88Å; L947-V950 VanDerWaalsContact O-N 3.15Å; L947-E951 WeakPolarHBondContact O-CG 3.36Å; L947-E951 PolarHBondContact O-N 2.97Å; L947-D965 HydrophobicContact CD1-CB 4.44Å; L947-L990 HydrophobicContact CD2-CB 4.36Å
948	D	94.7	Very high	95	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-37.6	174	-69.9	-89.4	0	0	0	112.6	F892 R896 T944 M945 R963	F892-D948 HydrophobicContact CD1-CB 4.44Å; F892-D948 HydrophobicContact CE1-CB 3.58Å; F892-D948 HydrophobicContact CZ-CB 4.12Å; R896-D948 IonicContact CZ-OD1 3.84Å; R896-D948 IonicContact NH1-OD1 3.33Å; R896-D948 PolarHBondContact NH1-OD1 2.73Å; T944-D948 PolarHBondContact O-N 3.21Å; T944-D948 VanDerWaalsContact O-N 3.15Å; T944-D948 VanDerWaalsContact O-OD2 3.13Å; M945-D948 PolarHBondContact O-N 3.15Å; D948-R963 IonicContact OD1-CZ 2.8Å; D948-R963 IonicContact OD1-NH1 3.86Å; D948-R963 PolarHBondContact OD1-NH1 3.32Å; D948-R963 IonicContact OD1-NH2 2.94Å; D948-R963 IonicContact OD2-CZ 2.7Å; D948-R963 IonicContact OD2-NH1 3.58Å; D948-R963 PolarHBondContact OD2-NH1 3.19Å; D948-R963 IonicContact OD2-NH2 2.81Å; D948-R963 PolarHBondContact OD2-NH2 3.44Å
949	I	95.6	Very high	95	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-41.5	174.8	-58.1	164.7	0	0	0	110.8	H848 L850 L851 F892 F920 M945 M946 L947 E951 V952 L953	H848-I949 HydrophobicContact CB-CD1 4.28Å; L850-I949 HydrophobicContact CB-CD1 4.4Å; L851-I949 HydrophobicContact CD2-CD1 3.65Å; L851-I949 HydrophobicContact CG-CD1 3.88Å; F892-I949 HydrophobicContact CB-CD1 4.29Å; F892-I949 HydrophobicContact CB-CG1 4.25Å; F892-I949 HydrophobicContact CD1-CG1 4.01Å; F892-I949 HydrophobicContact CD2-CD1 4.4Å; F892-I949 HydrophobicContact CD2-CG1 3.56Å; F892-I949 HydrophobicContact CE1-CG1 4.26Å; F892-I949 HydrophobicContact CE2-CB 4.44Å; F892-I949 HydrophobicContact CE2-CG1 3.81Å; F892-I949 HydrophobicContact CG-CD1 4.22Å; F892-I949 HydrophobicContact CG-CG1 3.64Å; F892-I949 HydrophobicContact CZ-CG1 4.15Å; F920-I949 HydrophobicContact CE2-CG2 3.72Å; F920-I949 HydrophobicContact CZ-CB 4.46Å; F920-I949 HydrophobicContact CZ-CG2 3.7Å; M945-I949 WeakPolarHBondContact O-CG1 3.44Å; M945-I949 PolarHBondContact O-N 3.29Å; M946-I949 HydrophobicContact CE-CB 4.14Å; M946-I949 HydrophobicContact CE-CG2 4.2Å; M946-I949 PolarHBondContact O-N 2.74Å; L947-I949 VanDerWaalsContact C-N 3.28Å; L947-I949 PolarHBondContact O-N 3.36Å; I949-E951 VanDerWaalsContact C-N 3.26Å; I949-E951 PolarHBondContact O-N 3.32Å; I949-V952 WeakPolarHBondContact O-CB 3.3Å; I949-V952 PolarHBondContact O-N 2.76Å; I949-L953 PolarHBondContact O-N 2.92Å
950	V	96.9	Very high	94.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-33.6	175.2	170.3	0	0	0	0	111.5	F920 L939 M946 L947 V952 L953 L954 L990	F920-V950 HydrophobicContact CE1-CG2 3.73Å; F920-V950 HydrophobicContact CZ-CG2 3.87Å; L939-V950 HydrophobicContact CD1-CG1 4.29Å; M946-V950 HydrophobicContact CE-CG2 3.91Å; M946-V950 VanDerWaalsContact O-CG2 3.29Å; M946-V950 WeakPolarHBondContact O-CG2 3.4Å; M946-V950 PolarHBondContact O-N 3.24Å; L947-V950 CarbonylContact O-C 3.56Å; L947-V950 PolarHBondContact O-N 2.88Å; L947-V950 VanDerWaalsContact O-N 3.15Å; V950-V952 VanDerWaalsContact C-N 3.25Å; V950-V952 PolarHBondContact O-N 3.09Å; V950-L953 WeakPolarHBondContact O-CB 3.38Å; V950-L953 PolarHBondContact O-N 3.24Å; V950-L953 VanDerWaalsContact O-N 3.17Å; V950-L954 HydrophobicContact CG1-CD1 4.07Å; V950-L954 HydrophobicContact CG1-CG 4.13Å; V950-L954 WeakPolarHBondContact O-CG 3.33Å; V950-L954 PolarHBondContact O-N 3.1Å; V950-L990 HydrophobicContact CB-CD2 4.49Å; V950-L990 HydrophobicContact CG1-CD1 4.37Å; V950-L990 HydrophobicContact CG1-CD2 3.61Å
951	E	96.2	Very high	95	Very high	28 Å²	28	42.9 Å²	42.9	13%	0.131	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-35.8	172.2	-72.3	-167.3	-147.4	0	0	112.6	L947 I949 L954 K955 Y961 R963 L990	L947-E951 WeakPolarHBondContact O-CG 3.36Å; L947-E951 PolarHBondContact O-N 2.97Å; I949-E951 VanDerWaalsContact C-N 3.26Å; I949-E951 PolarHBondContact O-N 3.32Å; E951-L954 PolarHBondContact O-N 3.01Å; E951-K955 VanDerWaalsContact O-CB 3.3Å; E951-K955 WeakPolarHBondContact O-CB 3.39Å; E951-K955 WeakPolarHBondContact O-CD 3.38Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 2.82Å; E951-K955 IonicContact OE2-NZ 3.48Å; E951-K955 PolarHBondContact OE2-NZ 3.01Å; E951-Y961 HydrophobicContact CB-CE2 4.46Å; E951-Y961 VanDerWaalsContact CD-OH 3.26Å; E951-Y961 HydrophobicContact CG-CE2 3.6Å; E951-Y961 WeakPolarHBondContact CG-OH 3.36Å; E951-Y961 PolarHBondContact OE2-OH 2.75Å; E951-R963 WeakPolarHBondContact OE1-CD 3.42Å; E951-R963 IonicContact OE1-CZ 3.35Å; E951-R963 IonicContact OE1-NE 2.87Å; E951-R963 IonicContact OE1-NH1 3.23Å; E951-R963 PolarHBondContact OE1-NH1 3.02Å; E951-L990 HydrophobicContact CG-CD1 3.64Å
952	V	95.1	Very high	95	Very high	32 Å²	32	43.4 Å²	43.4	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-41.9	176.6	-178.5	0	0	0	0	110.4	F892 L914 I949 V950 H956	F892-V952 HydrophobicContact CE2-CG2 4.04Å; F892-V952 HydrophobicContact CZ-CG2 4.14Å; L914-V952 HydrophobicContact CB-CG1 4.31Å; L914-V952 HydrophobicContact CD1-CG1 4.13Å; I949-V952 WeakPolarHBondContact O-CB 3.3Å; I949-V952 PolarHBondContact O-N 2.76Å; V950-V952 VanDerWaalsContact C-N 3.25Å; V950-V952 PolarHBondContact O-N 3.09Å; V952-H956 WeakPolarHBondContact O-CB 3.34Å; V952-H956 PolarHBondContact O-N 3.39Å
953	L	95.7	Very high	95.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-48	172.8	177	66.2	0	0	0	111.6	L915 F920 L923 I949 V950 K955 H956 L957	L915-L953 HydrophobicContact CD2-CB 4.13Å; L915-L953 HydrophobicContact CD2-CD1 3.84Å; F920-L953 HydrophobicContact CB-CD2 4.48Å; F920-L953 HydrophobicContact CD1-CD2 3.98Å; F920-L953 HydrophobicContact CD2-CB 4.34Å; F920-L953 HydrophobicContact CD2-CD2 4.11Å; F920-L953 HydrophobicContact CE1-CD2 4.1Å; F920-L953 HydrophobicContact CE2-CB 3.93Å; F920-L953 HydrophobicContact CE2-CD2 4.24Å; F920-L953 HydrophobicContact CG-CD2 3.95Å; F920-L953 HydrophobicContact CZ-CB 4.21Å; F920-L953 HydrophobicContact CZ-CD2 4.22Å; L923-L953 HydrophobicContact CD2-CD2 3.8Å; L923-L953 HydrophobicContact CG-CD2 4.2Å; I949-L953 PolarHBondContact O-N 2.92Å; V950-L953 WeakPolarHBondContact O-CB 3.38Å; V950-L953 PolarHBondContact O-N 3.24Å; V950-L953 VanDerWaalsContact O-N 3.17Å; L953-K955 PolarHBondContact O-N 3.5Å; L953-H956 PolarHBondContact O-N 2.81Å; L953-L957 HydrophobicContact CD1-CD1 3.89Å; L953-L957 HydrophobicContact CD1-CG 4.15Å; L953-L957 HydrophobicContact CG-CD1 4.02Å; L953-L957 WeakPolarHBondContact O-CB 3.38Å; L953-L957 WeakPolarHBondContact O-CG 3.43Å; L953-L957 PolarHBondContact O-N 3.26Å
954	L	96.5	Very high	95	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-37.1	-179.3	-66.6	-179.8	0	0	0	112.8	L927 V950 E951 L957 Q958 H959 Y961 V988 L990	L927-L954 HydrophobicContact CD1-CD2 3.75Å; V950-L954 HydrophobicContact CG1-CD1 4.07Å; V950-L954 HydrophobicContact CG1-CG 4.13Å; V950-L954 WeakPolarHBondContact O-CG 3.33Å; V950-L954 PolarHBondContact O-N 3.1Å; E951-L954 PolarHBondContact O-N 3.01Å; L954-L957 CarbonylContact O-C 3.6Å; L954-L957 PolarHBondContact O-N 2.8Å; L954-Q958 PolarHBondContact O-N 3.45Å; L954-H959 HydrophobicContact CD2-CB 4.17Å; L954-H959 PolarHBondContact O-N 3.49Å; L954-Y961 HydrophobicContact CB-CD1 3.9Å; L954-Y961 HydrophobicContact CB-CE1 4.28Å; L954-Y961 HydrophobicContact CD1-CD1 4.03Å; L954-Y961 HydrophobicContact CD1-CD2 4.45Å; L954-Y961 HydrophobicContact CD1-CG 3.84Å; L954-V988 HydrophobicContact CD1-CB 4.1Å; L954-V988 HydrophobicContact CD1-CG1 4.04Å; L954-V988 HydrophobicContact CD1-CG2 4.36Å; L954-V988 HydrophobicContact CD2-CG2 4.06Å; L954-L990 HydrophobicContact CD1-CD1 4.18Å; L954-L990 HydrophobicContact CD1-CD2 3.95Å; L954-L990 HydrophobicContact CD1-CG 4.21Å
955	K	95.3	Very high	94.9	Very high	115 Å²	115	39.9 Å²	39.9	50%	0.5	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-44.8	171.3	-74.5	162.5	-176.3	141.7	0	111.2	E951 L953 L957 Q958 Y961	E951-K955 VanDerWaalsContact O-CB 3.3Å; E951-K955 WeakPolarHBondContact O-CB 3.39Å; E951-K955 WeakPolarHBondContact O-CD 3.38Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 2.82Å; E951-K955 IonicContact OE2-NZ 3.48Å; E951-K955 PolarHBondContact OE2-NZ 3.01Å; L953-K955 PolarHBondContact O-N 3.5Å; K955-L957 VanDerWaalsContact C-N 3.34Å; K955-L957 PolarHBondContact O-N 3.25Å; K955-Q958 PolarHBondContact O-N 3.29Å; K955-Q958 VanDerWaalsContact O-N 3.13Å; K955-Y961 WeakPolarHBondContact CE-OH 3.29Å; K955-Y961 HydrophobicContact CG-CE1 4.33Å; K955-Y961 PolarHBondContact NZ-OH 3.32Å; K955-Y961 VanDerWaalsContact NZ-OH 3.13Å
956	H	94.4	Very high	94.5	Very high	103 Å²	103	40.6 Å²	40.6	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-35	176.3	178.7	-84.7	0	0	0	112.8	L915 V952 L953 Q958	L915-H956 HydrophobicContact CD1-CB 4.46Å; V952-H956 WeakPolarHBondContact O-CB 3.34Å; V952-H956 PolarHBondContact O-N 3.39Å; L953-H956 PolarHBondContact O-N 2.81Å; H956-Q958 VanDerWaalsContact C-N 3.29Å
957	L	94.4	Very high	93.9	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.5	174.2	-62.3	178.4	0	0	0	113.8	K924 L927 L953 L954 K955 H959	K924-L957 HydrophobicContact CD-CD2 4.35Å; K924-L957 HydrophobicContact CG-CD1 4.31Å; K924-L957 HydrophobicContact CG-CD2 4.07Å; L927-L957 HydrophobicContact CD1-CD1 4.48Å; L953-L957 HydrophobicContact CD1-CD1 3.89Å; L953-L957 HydrophobicContact CD1-CG 4.15Å; L953-L957 HydrophobicContact CG-CD1 4.02Å; L953-L957 WeakPolarHBondContact O-CB 3.38Å; L953-L957 WeakPolarHBondContact O-CG 3.43Å; L953-L957 PolarHBondContact O-N 3.26Å; L954-L957 CarbonylContact O-C 3.6Å; L954-L957 PolarHBondContact O-N 2.8Å; K955-L957 VanDerWaalsContact C-N 3.34Å; K955-L957 PolarHBondContact O-N 3.25Å; L957-H959 VanDerWaalsContact C-N 3.28Å; L957-H959 PolarHBondContact O-CE1 3.5Å; L957-H959 VanDerWaalsContact O-CE1 3.29Å; L957-H959 PolarHBondContact O-N 2.98Å; L957-H959 PolarHBondContact O-ND1 3.33Å
958	Q	94.9	Very high	93.4	Very high	182 Å²	182	46.1 Å²	46.1	85%	0.85	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	38	-179.3	-57.3	-175	-19.6	0	0	113.9	L954 K955 H956	L954-Q958 PolarHBondContact O-N 3.45Å; K955-Q958 PolarHBondContact O-N 3.29Å; K955-Q958 VanDerWaalsContact O-N 3.13Å; H956-Q958 VanDerWaalsContact C-N 3.29Å
959	H	94.8	Very high	92.8	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.167	25%	0.253	C	S	.	.			trans	-93	131.6	178.3	-67.3	-2.3	0	0	0	111.2	L954 L957 F987	L954-H959 HydrophobicContact CD2-CB 4.17Å; L954-H959 PolarHBondContact O-N 3.49Å; L957-H959 VanDerWaalsContact C-N 3.28Å; L957-H959 PolarHBondContact O-CE1 3.5Å; L957-H959 VanDerWaalsContact O-CE1 3.29Å; L957-H959 PolarHBondContact O-N 2.98Å; L957-H959 PolarHBondContact O-ND1 3.33Å; H959-F987 HydrophobicContact CB-CD1 4.18Å; H959-F987 AromaticContact CD2-CD1 3.56Å; H959-F987 AromaticContact CD2-CE1 3.57Å; H959-F987 AromaticContact CG-CD1 3.83Å; H959-F987 AromaticContact NE2-CE1 3.76Å
960	R	96.2	Very high	91.8	Very high	112 Å²	112	50.7 Å²	50.7	42%	0.423	26%	0.264	S	S	.	.			trans	-70.2	129.5	167.7	-75	-171.9	67.2	-160.5	-9.3	109.4	D983 D985 F987 V988	R960-D983 IonicContact CZ-OD2 2.89Å; R960-D983 IonicContact NH1-OD1 2.6Å; R960-D983 IonicContact NH1-OD2 2.8Å; R960-D983 PolarHBondContact NH1-OD2 2.73Å; R960-D983 IonicContact NH2-OD2 3.71Å; R960-D983 PolarHBondContact NH2-OD2 3.13Å; R960-D985 IonicContact NH1-OD2 2.7Å; R960-D985 PolarHBondContact NH1-OD2 3.29Å; R960-F987 PolarHBondContact O-N 3.4Å; R960-V988 PolarHBondContact O-N 3.24Å
961	Y	96.8	Very high	90.9	Very high	54 Å²	54	54.2 Å²	54.2	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.8	178.9	71.6	-86.7	0	0	0	111.4	E951 L954 K955 V988 L990	E951-Y961 HydrophobicContact CB-CE2 4.46Å; E951-Y961 VanDerWaalsContact CD-OH 3.26Å; E951-Y961 HydrophobicContact CG-CE2 3.6Å; E951-Y961 WeakPolarHBondContact CG-OH 3.36Å; E951-Y961 PolarHBondContact OE2-OH 2.75Å; L954-Y961 HydrophobicContact CB-CD1 3.9Å; L954-Y961 HydrophobicContact CB-CE1 4.28Å; L954-Y961 HydrophobicContact CD1-CD1 4.03Å; L954-Y961 HydrophobicContact CD1-CD2 4.45Å; L954-Y961 HydrophobicContact CD1-CG 3.84Å; K955-Y961 WeakPolarHBondContact CE-OH 3.29Å; K955-Y961 HydrophobicContact CG-CE1 4.33Å; K955-Y961 PolarHBondContact NZ-OH 3.32Å; K955-Y961 VanDerWaalsContact NZ-OH 3.13Å; Y961-V988 CarbonylContact C-O 3.55Å; Y961-V988 WeakPolarHBondContact CA-O 3.37Å; Y961-V988 VanDerWaalsContact CB-O 3.28Å; Y961-V988 WeakPolarHBondContact CB-O 3.47Å; Y961-L990 HydrophobicContact CD2-CD1 3.85Å; Y961-L990 HydrophobicContact CD2-CG 4.22Å; Y961-L990 HydrophobicContact CE2-CD1 4.08Å
962	V	95.9	Very high	90.4	Very high	12 Å²	12	56.6 Å²	56.6	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	161.4	165.7	-68.7	0	0	0	0	109.9	L976 Y980 I986 V988 F989 L990	V962-L976 HydrophobicContact CB-CD2 4.43Å; V962-L976 HydrophobicContact CG1-CD2 4.44Å; V962-Y980 HydrophobicContact CG2-CD2 3.95Å; V962-Y980 HydrophobicContact CG2-CG 4.39Å; V962-I986 HydrophobicContact CG1-CD1 4.04Å; V962-I986 HydrophobicContact CG1-CG2 4.19Å; V962-I986 HydrophobicContact CG2-CG2 4.18Å; V962-V988 PolarHBondContact N-O 2.88Å; V962-F989 HydrophobicContact CG2-CB 4.38Å; V962-F989 HydrophobicContact CG2-CD1 4.08Å; V962-F989 HydrophobicContact CG2-CD2 3.67Å; V962-F989 HydrophobicContact CG2-CE1 4.23Å; V962-F989 HydrophobicContact CG2-CE2 3.81Å; V962-F989 HydrophobicContact CG2-CG 3.78Å; V962-F989 HydrophobicContact CG2-CZ 4.09Å; V962-L990 PolarHBondContact O-N 2.8Å
963	R	94.7	Very high	89.9	Confident	47 Å²	47	57.2 Å²	57.2	18%	0.177	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137	-178.1	175.7	177	169.6	175	1.1	111	D948 E951 D965 L990	D948-R963 IonicContact OD1-CZ 2.8Å; D948-R963 IonicContact OD1-NH1 3.86Å; D948-R963 PolarHBondContact OD1-NH1 3.32Å; D948-R963 IonicContact OD1-NH2 2.94Å; D948-R963 IonicContact OD2-CZ 2.7Å; D948-R963 IonicContact OD2-NH1 3.58Å; D948-R963 PolarHBondContact OD2-NH1 3.19Å; D948-R963 IonicContact OD2-NH2 2.81Å; D948-R963 PolarHBondContact OD2-NH2 3.44Å; E951-R963 WeakPolarHBondContact OE1-CD 3.42Å; E951-R963 IonicContact OE1-CZ 3.35Å; E951-R963 IonicContact OE1-NE 2.87Å; E951-R963 IonicContact OE1-NH1 3.23Å; E951-R963 PolarHBondContact OE1-NH1 3.02Å; R963-D965 IonicContact CZ-OD2 3.48Å; R963-D965 VanDerWaalsContact CZ-OD2 3.24Å; R963-D965 IonicContact NE-OD2 3.23Å; R963-D965 PolarHBondContact NE-OD2 2.91Å; R963-D965 IonicContact NH2-OD2 2.88Å; R963-D965 PolarHBondContact NH2-OD2 3.02Å; R963-L990 WeakPolarHBondContact CA-O 3.48Å; R963-L990 HydrophobicContact CB-CB 4.08Å; R963-L990 HydrophobicContact CG-CB 4.19Å
964	L	91.1	Very high	89.2	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.7	170.6	-179	171.5	0	0	0	108.9	T968 R973 I977 F989 L990 L991 S992 A995	L964-T968 HydrophobicContact CG-CG2 4.37Å; L964-R973 HydrophobicContact CD1-CB 3.82Å; L964-R973 HydrophobicContact CD1-CG 3.94Å; L964-R973 HydrophobicContact CD2-CG 4.47Å; L964-R973 HydrophobicContact CG-CB 4.49Å; L964-R973 HydrophobicContact CG-CG 4.06Å; L964-I977 HydrophobicContact CD1-CD1 3.96Å; L964-I977 HydrophobicContact CD1-CG1 4.07Å; L964-F989 HydrophobicContact CB-CE2 3.71Å; L964-F989 HydrophobicContact CB-CZ 4.18Å; L964-F989 HydrophobicContact CD1-CZ 4.4Å; L964-L990 PolarHBondContact N-O 3.33Å; L964-L991 HydrophobicContact CB-CD2 3.75Å; L964-L991 HydrophobicContact CD2-CD2 4.29Å; L964-L991 HydrophobicContact CG-CD2 4.45Å; L964-L991 WeakPolarHBondContact O-CA 3.33Å; L964-S992 PolarHBondContact O-N 3.1Å; L964-A995 HydrophobicContact CD2-CB 3.87Å
965	D	90.3	Very high	88.8	Confident	4 Å²	4	64 Å²	64	2%	0.021	35%	0.345	C	S	.	.			trans	-137.4	-165.1	174.8	68.1	45	0	0	0	111.8	T944 L947 R963 S967 T968	T944-D965 HydrophobicContact CG2-CB 4Å; L947-D965 HydrophobicContact CD1-CB 4.44Å; R963-D965 IonicContact CZ-OD2 3.48Å; R963-D965 VanDerWaalsContact CZ-OD2 3.24Å; R963-D965 IonicContact NE-OD2 3.23Å; R963-D965 PolarHBondContact NE-OD2 2.91Å; R963-D965 IonicContact NH2-OD2 2.88Å; R963-D965 PolarHBondContact NH2-OD2 3.02Å; D965-S967 PolarHBondContact O-N 2.8Å; D965-S967 WeakPolarHBondContact OD1-CB 3.41Å; D965-S967 PolarHBondContact OD1-N 2.84Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; D965-T968 PolarHBondContact N-OG1 2.88Å; D965-T968 PolarHBondContact O-N 2.92Å; D965-T968 PolarHBondContact O-OG1 2.72Å
966	G	83.3	Confident	88.7	Confident	53 Å²	53	60.3 Å²	60.3	55%	0.546	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.2	-178.5	0	0	0	0	0	113.6	R973	G966-R973 PolarHBondContact O-NH2 3.4Å
967	S	84	Confident	88.4	Confident	98 Å²	98	56.4 Å²	56.4	69%	0.685	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.7	-178.1	69.9	0	0	0	0	114	D965 P969	D965-S967 PolarHBondContact O-N 2.8Å; D965-S967 WeakPolarHBondContact OD1-CB 3.41Å; D965-S967 PolarHBondContact OD1-N 2.84Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; S967-P969 WeakPolarHBondContact O-CD 3.41Å
968	T	85.4	Confident	88.1	Confident	18 Å²	18	57.2 Å²	57.2	11%	0.11	32%	0.318	C	S	.	.	S	Bend	trans	-66.2	122.5	179.3	-50.8	0	0	0	0	110.4	L964 D965 D972 R973 L976	L964-T968 HydrophobicContact CG-CG2 4.37Å; D965-T968 PolarHBondContact N-OG1 2.88Å; D965-T968 PolarHBondContact O-N 2.92Å; D965-T968 PolarHBondContact O-OG1 2.72Å; T968-D972 HydrophobicContact CG2-CB 4.35Å; T968-R973 HydrophobicContact CG2-CG 3.89Å; T968-R973 VanDerWaalsContact O-CZ 3.23Å; T968-R973 PolarHBondContact O-NE 3.41Å; T968-R973 PolarHBondContact O-NH2 3.24Å; T968-L976 HydrophobicContact CG2-CD1 3.69Å
969	P	81.5	Confident	88.1	Confident	76 Å²	76	52.2 Å²	52.2	49%	0.494	29%	0.294	S	S	.	.			trans	-58.6	143.8	178	-24.4	34.7	0	0	0	112.2	S967 A971 D972 R973	S967-P969 WeakPolarHBondContact O-CD 3.41Å; P969-A971 VanDerWaalsContact C-N 3.3Å; P969-A971 PolarHBondContact O-N 2.94Å; P969-D972 WeakPolarHBondContact CB-OD2 3.31Å; P969-D972 WeakPolarHBondContact CD-OD2 3.29Å; P969-D972 WeakPolarHBondContact CG-OD2 3.13Å; P969-D972 PolarHBondContact O-N 3.17Å; P969-R973 WeakPolarHBondContact O-CG 3.35Å; P969-R973 PolarHBondContact O-N 3.05Å
970	I	74.4	Confident	88	Confident	47 Å²	47	50.5 Å²	50.5	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-41	-171.4	-65.2	175.1	0	0	0	112.1	D626 Y645 D972 R973	D626-I970 WeakPolarHBondContact OD2-CG2 3.47Å; Y645-I970 WeakPolarHBondContact OH-CD1 3.28Å; I970-D972 VanDerWaalsContact C-N 3.3Å; I970-D972 PolarHBondContact O-N 3.41Å; I970-R973 WeakPolarHBondContact O-CB 3.41Å; I970-R973 PolarHBondContact O-N 2.91Å
971	A	78.3	Confident	87.8	Confident	75 Å²	75	47.4 Å²	47.4	62%	0.62	28%	0.278	S	S	*	.	H	α-helix	trans	-58.6	-38.5	177.8	0	0	0	0	0	113.2	P969	P969-A971 VanDerWaalsContact C-N 3.3Å; P969-A971 PolarHBondContact O-N 2.94Å
972	D	84.8	Confident	87.6	Confident	79 Å²	79	50.2 Å²	50.2	42%	0.422	30%	0.301	S	S	.	.	H	α-helix	trans	-77.5	-25.3	-176.8	-57	-34.8	0	0	0	112.4	T968 P969 I970 I974 V975 L976	T968-D972 HydrophobicContact CG2-CB 4.35Å; P969-D972 WeakPolarHBondContact CB-OD2 3.31Å; P969-D972 WeakPolarHBondContact CD-OD2 3.29Å; P969-D972 WeakPolarHBondContact CG-OD2 3.13Å; P969-D972 PolarHBondContact O-N 3.17Å; I970-D972 VanDerWaalsContact C-N 3.3Å; I970-D972 PolarHBondContact O-N 3.41Å; D972-I974 VanDerWaalsContact C-N 3.29Å; D972-I974 PolarHBondContact O-N 2.91Å; D972-V975 WeakPolarHBondContact O-CB 3.47Å; D972-V975 PolarHBondContact O-N 2.83Å; D972-V975 VanDerWaalsContact O-N 3.11Å; D972-L976 WeakPolarHBondContact O-CG 3.49Å; D972-L976 PolarHBondContact O-N 3.32Å
973	R	84.5	Confident	87.5	Confident	45 Å²	45	51.6 Å²	51.6	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-55.7	-44	-178.5	-66.9	178.9	-169.1	-160	-2.7	111.9	L964 G966 T968 P969 I970 I977	L964-R973 HydrophobicContact CD1-CB 3.82Å; L964-R973 HydrophobicContact CD1-CG 3.94Å; L964-R973 HydrophobicContact CD2-CG 4.47Å; L964-R973 HydrophobicContact CG-CB 4.49Å; L964-R973 HydrophobicContact CG-CG 4.06Å; G966-R973 PolarHBondContact O-NH2 3.4Å; T968-R973 HydrophobicContact CG2-CG 3.89Å; T968-R973 VanDerWaalsContact O-CZ 3.23Å; T968-R973 PolarHBondContact O-NE 3.41Å; T968-R973 PolarHBondContact O-NH2 3.24Å; P969-R973 WeakPolarHBondContact O-CG 3.35Å; P969-R973 PolarHBondContact O-N 3.05Å; I970-R973 WeakPolarHBondContact O-CB 3.41Å; I970-R973 PolarHBondContact O-N 2.91Å; R973-I977 WeakPolarHBondContact O-CD1 3.23Å; R973-I977 WeakPolarHBondContact O-CG1 3.36Å; R973-I977 PolarHBondContact O-N 3.32Å; R973-I977 VanDerWaalsContact O-N 3.15Å
974	I	82.2	Confident	87.3	Confident	56 Å²	56	53.8 Å²	53.8	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-43.9	179.9	-48.1	173.9	0	0	0	110.1	D626 D972 L976 I977 D978	D626-I974 HydrophobicContact CB-CD1 3.5Å; D626-I974 VanDerWaalsContact CB-CD1 3.5Å; D626-I974 HydrophobicContact CB-CG1 4.28Å; D972-I974 VanDerWaalsContact C-N 3.29Å; D972-I974 PolarHBondContact O-N 2.91Å; I974-L976 PolarHBondContact O-N 3.42Å; I974-I977 PolarHBondContact O-N 3.17Å; I974-D978 PolarHBondContact O-N 3.29Å
975	V	88.7	Confident	87.3	Confident	92 Å²	92	58 Å²	58	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-60.3	-46.6	-179.5	-175.9	0	0	0	0	110.5	D972 I977 D978 E979	D972-V975 WeakPolarHBondContact O-CB 3.47Å; D972-V975 PolarHBondContact O-N 2.83Å; D972-V975 VanDerWaalsContact O-N 3.11Å; V975-I977 VanDerWaalsContact C-N 3.32Å; V975-I977 PolarHBondContact O-N 2.88Å; V975-D978 PolarHBondContact O-N 3.09Å; V975-E979 WeakPolarHBondContact O-CB 3.34Å; V975-E979 PolarHBondContact O-N 3.29Å
976	L	91.2	Very high	87.6	Confident	36 Å²	36	57.8 Å²	57.8	19%	0.188	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-33.9	177.8	-67	162.8	0	0	0	113	V962 T968 D972 I974 Y980 F989	V962-L976 HydrophobicContact CB-CD2 4.43Å; V962-L976 HydrophobicContact CG1-CD2 4.44Å; T968-L976 HydrophobicContact CG2-CD1 3.69Å; D972-L976 WeakPolarHBondContact O-CG 3.49Å; D972-L976 PolarHBondContact O-N 3.32Å; I974-L976 PolarHBondContact O-N 3.42Å; L976-Y980 WeakPolarHBondContact O-CB 3.43Å; L976-Y980 PolarHBondContact O-N 2.94Å; L976-F989 HydrophobicContact CB-CZ 4.46Å
977	I	88.8	Confident	88.2	Confident	22 Å²	22	55.3 Å²	55.3	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-74.1	-44.2	177.4	-67.4	160.2	0	0	0	111.2	L964 R973 I974 V975 N981 F989 I1000 L1002	L964-I977 HydrophobicContact CD1-CD1 3.96Å; L964-I977 HydrophobicContact CD1-CG1 4.07Å; R973-I977 WeakPolarHBondContact O-CD1 3.23Å; R973-I977 WeakPolarHBondContact O-CG1 3.36Å; R973-I977 PolarHBondContact O-N 3.32Å; R973-I977 VanDerWaalsContact O-N 3.15Å; I974-I977 PolarHBondContact O-N 3.17Å; V975-I977 VanDerWaalsContact C-N 3.32Å; V975-I977 PolarHBondContact O-N 2.88Å; I977-N981 WeakPolarHBondContact CG2-ND2 3.45Å; I977-N981 VanDerWaalsContact O-CB 3.31Å; I977-N981 WeakPolarHBondContact O-CB 3.32Å; I977-N981 PolarHBondContact O-N 3.41Å; I977-N981 PolarHBondContact O-ND2 3.22Å; I977-F989 HydrophobicContact CG1-CE1 4.24Å; I977-F989 HydrophobicContact CG1-CZ 4.15Å; I977-I1000 HydrophobicContact CD1-CB 3.99Å; I977-I1000 HydrophobicContact CD1-CG2 3.44Å; I977-I1000 VanDerWaalsContact CD1-CG2 3.44Å; I977-L1002 HydrophobicContact CG2-CD2 4.37Å
978	D	89.3	Confident	88.9	Confident	55 Å²	55	50.7 Å²	50.7	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-69	-37	175.6	-75.9	-37.2	0	0	0	111.2	R630 I974 V975 N981 T982	R630-D978 IonicContact CZ-OD1 3.8Å; R630-D978 IonicContact CZ-OD2 3.77Å; R630-D978 IonicContact NH1-OD1 3.29Å; R630-D978 PolarHBondContact NH1-OD1 3.38Å; R630-D978 IonicContact NH1-OD2 2.78Å; R630-D978 PolarHBondContact NH1-OD2 3Å; R630-D978 IonicContact NH2-OD1 2.9Å; R630-D978 PolarHBondContact NH2-OD1 3.1Å; R630-D978 IonicContact NH2-OD2 2.84Å; R630-D978 PolarHBondContact NH2-OD2 2.81Å; I974-D978 PolarHBondContact O-N 3.29Å; V975-D978 PolarHBondContact O-N 3.09Å; D978-N981 PolarHBondContact O-N 2.83Å; D978-T982 WeakPolarHBondContact O-CB 3.46Å; D978-T982 PolarHBondContact O-N 3.22Å; D978-T982 PolarHBondContact O-OG1 3.09Å
979	E	93.4	Very high	89.4	Confident	77 Å²	77	49.8 Å²	49.8	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-53.4	172	-173.5	-172	173.4	0	0	110.4	V975 N981 T982 D983 I986	V975-E979 WeakPolarHBondContact O-CB 3.34Å; V975-E979 PolarHBondContact O-N 3.29Å; E979-N981 VanDerWaalsContact C-N 3.3Å; E979-N981 PolarHBondContact O-N 3.35Å; E979-T982 PolarHBondContact O-N 3.45Å; E979-T982 VanDerWaalsContact O-N 3.12Å; E979-D983 PolarHBondContact O-N 3.25Å; E979-I986 HydrophobicContact CG-CD1 3.76Å
980	Y	94	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-35.9	177.2	-177.2	-93.6	0	0	0	113	R936 V937 V938 V962 L976 T982 I986 F989 L1002 S1004 A1005	R936-Y980 VanDerWaalsContact CZ-O 3.27Å; R936-Y980 PolarHBondContact NH1-O 3.34Å; R936-Y980 PolarHBondContact NH2-O 3.24Å; V937-Y980 PolarHBondContact N-OH 3.4Å; V937-Y980 PolarHBondContact O-OH 2.7Å; V938-Y980 HydrophobicContact CG2-CE1 4.46Å; V962-Y980 HydrophobicContact CG2-CD2 3.95Å; V962-Y980 HydrophobicContact CG2-CG 4.39Å; L976-Y980 WeakPolarHBondContact O-CB 3.43Å; L976-Y980 PolarHBondContact O-N 2.94Å; Y980-T982 VanDerWaalsContact C-N 3.31Å; Y980-I986 HydrophobicContact CD2-CB 4.32Å; Y980-I986 HydrophobicContact CD2-CG2 3.78Å; Y980-I986 HydrophobicContact CE2-CG2 4.21Å; Y980-F989 AromaticContact CD1-CD1 3.64Å; Y980-F989 HydrophobicContact CD1-CD1 3.64Å; Y980-F989 HydrophobicContact CD1-CE1 4.27Å; Y980-F989 HydrophobicContact CD2-CB 3.94Å; Y980-F989 AromaticContact CD2-CD1 3.8Å; Y980-F989 HydrophobicContact CD2-CD1 3.8Å; Y980-F989 HydrophobicContact CD2-CG 4.15Å; Y980-F989 HydrophobicContact CE1-CD1 4.2Å; Y980-F989 HydrophobicContact CE2-CB 3.8Å; Y980-F989 HydrophobicContact CE2-CD1 4.35Å; Y980-F989 HydrophobicContact CE2-CG 4.48Å; Y980-F989 HydrophobicContact CG-CB 4.38Å; Y980-F989 AromaticContact CG-CD1 3.4Å; Y980-F989 HydrophobicContact CG-CD1 3.4Å; Y980-F989 VanDerWaalsContact CG-CD1 3.4Å; Y980-F989 AromaticContact CG-CE1 3.96Å; Y980-F989 HydrophobicContact CG-CE1 3.96Å; Y980-F989 HydrophobicContact CG-CG 4.21Å; Y980-L1002 HydrophobicContact CD1-CD2 4.39Å; Y980-S1004 WeakPolarHBondContact CD1-OG 3.47Å; Y980-S1004 WeakPolarHBondContact CE1-OG 3.4Å; Y980-A1005 HydrophobicContact CE1-CB 4.06Å
981	N	90.9	Very high	91	Very high	46 Å²	46	44 Å²	44	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-75.2	-17.9	177.5	-76.8	-47.6	0	0	0	113.5	I977 D978 E979 N1001 S1004	I977-N981 WeakPolarHBondContact CG2-ND2 3.45Å; I977-N981 VanDerWaalsContact O-CB 3.31Å; I977-N981 WeakPolarHBondContact O-CB 3.32Å; I977-N981 PolarHBondContact O-N 3.41Å; I977-N981 PolarHBondContact O-ND2 3.22Å; D978-N981 PolarHBondContact O-N 2.83Å; E979-N981 VanDerWaalsContact C-N 3.3Å; E979-N981 PolarHBondContact O-N 3.35Å; N981-N1001 PolarHBondContact ND2-O 3.26Å; N981-S1004 VanDerWaalsContact OD1-CB 3.27Å; N981-S1004 WeakPolarHBondContact OD1-CB 3.41Å; N981-S1004 PolarHBondContact OD1-OG 3.11Å
982	T	92.2	Very high	91.7	Very high	113 Å²	113	40.8 Å²	40.8	69%	0.693	22%	0.224	S	C	*	.	H	α-helix	trans	-107.7	-37.9	-174.9	-50.6	0	0	0	0	113.5	D978 E979 Y980 P984	D978-T982 WeakPolarHBondContact O-CB 3.46Å; D978-T982 PolarHBondContact O-N 3.22Å; D978-T982 PolarHBondContact O-OG1 3.09Å; E979-T982 PolarHBondContact O-N 3.45Å; E979-T982 VanDerWaalsContact O-N 3.12Å; Y980-T982 VanDerWaalsContact C-N 3.31Å; T982-P984 WeakPolarHBondContact O-CD 3.25Å
983	D	94.1	Very high	91.7	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	21%	0.206	C	C	.	.			trans	-91	110.4	179.1	-175.2	-8.6	0	0	0	111.2	R936 R960 E979 D985 I986	R936-D983 PolarHBondContact NH2-O 2.68Å; R960-D983 IonicContact CZ-OD2 2.89Å; R960-D983 IonicContact NH1-OD1 2.6Å; R960-D983 IonicContact NH1-OD2 2.8Å; R960-D983 PolarHBondContact NH1-OD2 2.73Å; R960-D983 IonicContact NH2-OD2 3.71Å; R960-D983 PolarHBondContact NH2-OD2 3.13Å; E979-D983 PolarHBondContact O-N 3.25Å; D983-D985 VanDerWaalsContact C-N 3.32Å; D983-D985 PolarHBondContact O-N 3.47Å; D983-D985 WeakPolarHBondContact OD1-CB 3.47Å; D983-D985 PolarHBondContact OD1-N 2.93Å; D983-I986 HydrophobicContact CB-CD1 3.86Å; D983-I986 HydrophobicContact CB-CG1 4.1Å
984	P	90.2	Very high	91.3	Very high	93 Å²	93	44.8 Å²	44.8	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.2	-178.6	32.8	-37	0	0	0	114	T982 I986	T982-P984 WeakPolarHBondContact O-CD 3.25Å; P984-I986 VanDerWaalsContact C-N 3.27Å; P984-I986 PolarHBondContact O-N 3.38Å
985	D	92.6	Very high	90.9	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.4	-179.9	-82.5	-11.1	0	0	0	112.1	R960 D983 F987	R960-D985 IonicContact NH1-OD2 2.7Å; R960-D985 PolarHBondContact NH1-OD2 3.29Å; D983-D985 VanDerWaalsContact C-N 3.32Å; D983-D985 PolarHBondContact O-N 3.47Å; D983-D985 WeakPolarHBondContact OD1-CB 3.47Å; D983-D985 PolarHBondContact OD1-N 2.93Å; D985-F987 PolarHBondContact O-N 3.02Å
986	I	95.8	Very high	89.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.198	C	C	.	.			trans	-67.6	114.6	179.6	-53.7	175.6	0	0	0	108	R936 V962 E979 Y980 D983 P984	R936-I986 PolarHBondContact NE-O 2.88Å; R936-I986 PolarHBondContact NH2-O 2.9Å; V962-I986 HydrophobicContact CG1-CD1 4.04Å; V962-I986 HydrophobicContact CG1-CG2 4.19Å; V962-I986 HydrophobicContact CG2-CG2 4.18Å; E979-I986 HydrophobicContact CG-CD1 3.76Å; Y980-I986 HydrophobicContact CD2-CB 4.32Å; Y980-I986 HydrophobicContact CD2-CG2 3.78Å; Y980-I986 HydrophobicContact CE2-CG2 4.21Å; D983-I986 HydrophobicContact CB-CD1 3.86Å; D983-I986 HydrophobicContact CB-CG1 4.1Å; P984-I986 VanDerWaalsContact C-N 3.27Å; P984-I986 PolarHBondContact O-N 3.38Å
987	F	96.9	Very high	88.3	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.19	C	C	.	.			trans	-89.9	-37.6	-170.3	178.4	-138.5	0	0	0	112.7	L927 L930 R931 D935 V937 H959 R960 D985	L927-F987 HydrophobicContact CB-CE1 4.24Å; L927-F987 HydrophobicContact CD2-CE1 3.91Å; L927-F987 HydrophobicContact CD2-CZ 4.11Å; L927-F987 WeakPolarHBondContact O-CZ 3.29Å; L930-F987 HydrophobicContact CB-CE2 4.42Å; L930-F987 HydrophobicContact CB-CZ 4.14Å; R931-F987 HydrophobicContact CB-CE1 3.85Å; R931-F987 HydrophobicContact CB-CE2 4.04Å; R931-F987 HydrophobicContact CB-CZ 3.59Å; R931-F987 HydrophobicContact CG-CE1 4.37Å; R931-F987 HydrophobicContact CG-CZ 4.39Å; D935-F987 WeakPolarHBondContact O-CD2 3.49Å; D935-F987 VanDerWaalsContact O-CE2 3.28Å; D935-F987 WeakPolarHBondContact O-CE2 3.49Å; V937-F987 HydrophobicContact CG2-CD2 4.39Å; V937-F987 HydrophobicContact CG2-CE2 3.74Å; V937-F987 HydrophobicContact CG2-CZ 3.97Å; V937-F987 PolarHBondContact N-O 2.97Å; H959-F987 HydrophobicContact CB-CD1 4.18Å; H959-F987 AromaticContact CD2-CD1 3.56Å; H959-F987 AromaticContact CD2-CE1 3.57Å; H959-F987 AromaticContact CG-CD1 3.83Å; H959-F987 AromaticContact NE2-CE1 3.76Å; R960-F987 PolarHBondContact O-N 3.4Å; D985-F987 PolarHBondContact O-N 3.02Å
988	V	97.3	Very high	87.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.4	-173	-170.5	0	0	0	0	111.5	L927 V937 L939 L954 R960 Y961 V962 L990	L927-V988 HydrophobicContact CD2-CG2 4.23Å; V937-V988 HydrophobicContact CB-CG2 4.44Å; V937-V988 CarbonylContact O-C 3.56Å; V937-V988 VanDerWaalsContact O-CA 3.27Å; V937-V988 WeakPolarHBondContact O-CA 3.49Å; L939-V988 HydrophobicContact CB-CG1 4.26Å; L954-V988 HydrophobicContact CD1-CB 4.1Å; L954-V988 HydrophobicContact CD1-CG1 4.04Å; L954-V988 HydrophobicContact CD1-CG2 4.36Å; L954-V988 HydrophobicContact CD2-CG2 4.06Å; R960-V988 PolarHBondContact O-N 3.24Å; Y961-V988 CarbonylContact C-O 3.55Å; Y961-V988 WeakPolarHBondContact CA-O 3.37Å; Y961-V988 VanDerWaalsContact CB-O 3.28Å; Y961-V988 WeakPolarHBondContact CB-O 3.47Å; V962-V988 PolarHBondContact N-O 2.88Å; V988-L990 HydrophobicContact CG1-CD2 3.99Å
989	F	96.5	Very high	85.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.3	163	-151.3	148.7	0	0	0	108.8	V937 V938 L939 V962 L964 L976 I977 Y980 L991 L1002	V937-F989 PolarHBondContact O-N 2.78Å; V938-F989 HydrophobicContact CG2-CB 4.05Å; L939-F989 PolarHBondContact N-O 2.91Å; V962-F989 HydrophobicContact CG2-CB 4.38Å; V962-F989 HydrophobicContact CG2-CD1 4.08Å; V962-F989 HydrophobicContact CG2-CD2 3.67Å; V962-F989 HydrophobicContact CG2-CE1 4.23Å; V962-F989 HydrophobicContact CG2-CE2 3.81Å; V962-F989 HydrophobicContact CG2-CG 3.78Å; V962-F989 HydrophobicContact CG2-CZ 4.09Å; L964-F989 HydrophobicContact CB-CE2 3.71Å; L964-F989 HydrophobicContact CB-CZ 4.18Å; L964-F989 HydrophobicContact CD1-CZ 4.4Å; L976-F989 HydrophobicContact CB-CZ 4.46Å; I977-F989 HydrophobicContact CG1-CE1 4.24Å; I977-F989 HydrophobicContact CG1-CZ 4.15Å; Y980-F989 AromaticContact CD1-CD1 3.64Å; Y980-F989 HydrophobicContact CD1-CD1 3.64Å; Y980-F989 HydrophobicContact CD1-CE1 4.27Å; Y980-F989 HydrophobicContact CD2-CB 3.94Å; Y980-F989 AromaticContact CD2-CD1 3.8Å; Y980-F989 HydrophobicContact CD2-CD1 3.8Å; Y980-F989 HydrophobicContact CD2-CG 4.15Å; Y980-F989 HydrophobicContact CE1-CD1 4.2Å; Y980-F989 HydrophobicContact CE2-CB 3.8Å; Y980-F989 HydrophobicContact CE2-CD1 4.35Å; Y980-F989 HydrophobicContact CE2-CG 4.48Å; Y980-F989 HydrophobicContact CG-CB 4.38Å; Y980-F989 AromaticContact CG-CD1 3.4Å; Y980-F989 HydrophobicContact CG-CD1 3.4Å; Y980-F989 VanDerWaalsContact CG-CD1 3.4Å; Y980-F989 AromaticContact CG-CE1 3.96Å; Y980-F989 HydrophobicContact CG-CE1 3.96Å; Y980-F989 HydrophobicContact CG-CG 4.21Å; F989-L991 HydrophobicContact CD2-CD2 3.64Å; F989-L991 HydrophobicContact CD2-CG 3.9Å; F989-L991 HydrophobicContact CE2-CD2 3.52Å; F989-L991 HydrophobicContact CE2-CG 4.29Å; F989-L991 HydrophobicContact CG-CD2 4.38Å; F989-L991 HydrophobicContact CG-CG 4.34Å; F989-L991 HydrophobicContact CZ-CD2 4.13Å; F989-L1002 HydrophobicContact CD1-CD2 3.76Å; F989-L1002 HydrophobicContact CE1-CD2 3.66Å
990	L	96.6	Very high	85.2	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.8	170	-60.9	-176.7	0	0	0	110.3	L939 L947 V950 E951 L954 Y961 V962 R963 L964 V988	L939-L990 HydrophobicContact CB-CD2 4.17Å; L939-L990 HydrophobicContact CD2-CD2 4.12Å; L947-L990 HydrophobicContact CD2-CB 4.36Å; V950-L990 HydrophobicContact CB-CD2 4.49Å; V950-L990 HydrophobicContact CG1-CD1 4.37Å; V950-L990 HydrophobicContact CG1-CD2 3.61Å; E951-L990 HydrophobicContact CG-CD1 3.64Å; L954-L990 HydrophobicContact CD1-CD1 4.18Å; L954-L990 HydrophobicContact CD1-CD2 3.95Å; L954-L990 HydrophobicContact CD1-CG 4.21Å; Y961-L990 HydrophobicContact CD2-CD1 3.85Å; Y961-L990 HydrophobicContact CD2-CG 4.22Å; Y961-L990 HydrophobicContact CE2-CD1 4.08Å; V962-L990 PolarHBondContact O-N 2.8Å; R963-L990 WeakPolarHBondContact CA-O 3.48Å; R963-L990 HydrophobicContact CB-CB 4.08Å; R963-L990 HydrophobicContact CG-CB 4.19Å; L964-L990 PolarHBondContact N-O 3.33Å; V988-L990 HydrophobicContact CG1-CD2 3.99Å
991	L	93.8	Very high	84.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.3	179.3	-65.8	176.9	0	0	0	111.2	V938 L939 F940 S941 L964 F989 I1000 L1002	V938-L991 HydrophobicContact CG1-CD1 3.51Å; V938-L991 HydrophobicContact CG1-CG 4.26Å; L939-L991 PolarHBondContact O-N 3.25Å; F940-L991 VanDerWaalsContact CA-O 3.32Å; F940-L991 WeakPolarHBondContact CA-O 3.22Å; F940-L991 HydrophobicContact CD1-CB 3.58Å; F940-L991 HydrophobicContact CD1-CD1 4.2Å; F940-L991 HydrophobicContact CE1-CB 3.69Å; F940-L991 HydrophobicContact CE1-CD1 3.46Å; F940-L991 VanDerWaalsContact CE1-CD1 3.46Å; F940-L991 HydrophobicContact CE1-CG 4.22Å; F940-L991 HydrophobicContact CG-CB 4.42Å; F940-L991 HydrophobicContact CZ-CD1 3.69Å; S941-L991 PolarHBondContact N-O 3.4Å; S941-L991 VanDerWaalsContact N-O 3.11Å; L964-L991 HydrophobicContact CB-CD2 3.75Å; L964-L991 HydrophobicContact CD2-CD2 4.29Å; L964-L991 HydrophobicContact CG-CD2 4.45Å; L964-L991 WeakPolarHBondContact O-CA 3.33Å; F989-L991 HydrophobicContact CD2-CD2 3.64Å; F989-L991 HydrophobicContact CD2-CG 3.9Å; F989-L991 HydrophobicContact CE2-CD2 3.52Å; F989-L991 HydrophobicContact CE2-CG 4.29Å; F989-L991 HydrophobicContact CG-CD2 4.38Å; F989-L991 HydrophobicContact CG-CG 4.34Å; F989-L991 HydrophobicContact CZ-CD2 4.13Å; L991-I1000 HydrophobicContact CD1-CD1 4.09Å; L991-L1002 HydrophobicContact CD1-CD1 3.58Å
992	S	91.8	Very high	84.5	Confident	9 Å²	9	32.7 Å²	32.7	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.7	159.9	77.9	0	0	0	0	109.4	S941 L964 R994 A995 G996	S941-S992 CarbonylContact O-C 3.6Å; S941-S992 VanDerWaalsContact O-CA 3.27Å; S941-S992 WeakPolarHBondContact O-CA 3.37Å; L964-S992 PolarHBondContact O-N 3.1Å; S992-R994 PolarHBondContact O-N 3.49Å; S992-R994 VanDerWaalsContact O-N 3.16Å; S992-A995 PolarHBondContact O-N 3.41Å; S992-A995 VanDerWaalsContact OG-CB 3.22Å; S992-A995 WeakPolarHBondContact OG-CB 3.32Å; S992-A995 PolarHBondContact OG-N 3.24Å; S992-G996 PolarHBondContact O-N 2.84Å
993	T	85.2	Confident	84.2	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-35.1	-175.4	-44.2	0	0	0	0	111.9	S941 Q942 G997 A1023	S941-T993 PolarHBondContact O-N 3.42Å; S941-T993 PolarHBondContact O-OG1 3.19Å; Q942-T993 PolarHBondContact NE2-OG1 3.23Å; T993-G997 WeakPolarHBondContact O-CA 3.48Å; T993-G997 PolarHBondContact O-N 2.73Å; T993-A1023 HydrophobicContact CG2-CB 4.13Å
994	R	76.3	Confident	84.1	Confident	202 Å²	202	28.3 Å²	28.3	76%	0.762	15%	0.151	S	C	*	.	H	α-helix	trans	-69.5	-40.1	175.3	-65.9	-174	178.5	-162.7	-2.5	113.8	S992 L998	S992-R994 PolarHBondContact O-N 3.49Å; S992-R994 VanDerWaalsContact O-N 3.16Å; R994-L998 VanDerWaalsContact O-CD1 3.26Å; R994-L998 WeakPolarHBondContact O-CD1 3.23Å; R994-L998 WeakPolarHBondContact O-CG 3.41Å
995	A	73.1	Confident	84.2	Confident	10 Å²	10	24 Å²	24	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-77.7	-44.6	-179.7	0	0	0	0	0	111.9	L964 S992	L964-A995 HydrophobicContact CD2-CB 3.87Å; S992-A995 PolarHBondContact O-N 3.41Å; S992-A995 VanDerWaalsContact OG-CB 3.22Å; S992-A995 WeakPolarHBondContact OG-CB 3.32Å; S992-A995 PolarHBondContact OG-N 3.24Å
996	G	65	Low	84.3	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-78.9	-19.3	-179.9	0	0	0	0	0	114.6	S992 L998 I1000 R1026	S992-G996 PolarHBondContact O-N 2.84Å; G996-L998 PolarHBondContact O-N 3.08Å; G996-I1000 WeakPolarHBondContact O-CG1 3.48Å; G996-R1026 WeakPolarHBondContact O-CG 3.29Å
997	G	61.6	Low	84.3	Confident	2 Å²	2	20.1 Å²	20.1	2%	0.021	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	174	0	0	0	0	0	114	T993 Q1022 R1026	T993-G997 WeakPolarHBondContact O-CA 3.48Å; T993-G997 PolarHBondContact O-N 2.73Å; G997-Q1022 VanDerWaalsContact O-CD 3.24Å; G997-Q1022 WeakPolarHBondContact O-CG 3.38Å; G997-R1026 VanDerWaalsContact O-CZ 3.3Å; G997-R1026 PolarHBondContact O-NE 3.01Å; G997-R1026 PolarHBondContact O-NH2 2.81Å
998	L	62.4	Low	84.3	Confident	47 Å²	47	20 Å²	20	25%	0.246	10%	0.102	C	C	.	.	S	Bend	trans	-105.7	114.4	-170.9	-60.9	165.8	0	0	0	112.1	P621 S623 T624 R994 G996 I1000	P621-L998 HydrophobicContact CB-CD2 4.44Å; S623-L998 WeakPolarHBondContact OG-CB 3.47Å; S623-L998 WeakPolarHBondContact OG-CD1 3.46Å; T624-L998 HydrophobicContact CG2-CB 4.32Å; R994-L998 VanDerWaalsContact O-CD1 3.26Å; R994-L998 WeakPolarHBondContact O-CD1 3.23Å; R994-L998 WeakPolarHBondContact O-CG 3.41Å; G996-L998 PolarHBondContact O-N 3.08Å; L998-I1000 WeakPolarHBondContact O-CG2 3.46Å; L998-I1000 PolarHBondContact O-N 2.96Å
999	G	63.1	Low	84.3	Confident	15 Å²	15	20 Å²	20	16%	0.155	10%	0.102	C	C	.	.	S	Bend	trans	71.9	-40.3	165.9	0	0	0	0	0	118.8	T624 R1026	T624-G999 VanDerWaalsContact CG2-CA 3.5Å; G999-R1026 PolarHBondContact O-NH1 3.21Å
1000	I	79.3	Confident	84.3	Confident	16 Å²	16	20.1 Å²	20.1	8%	0.082	10%	0.102	C	C	.	.			trans	-62.1	162.7	-162	66.2	176.3	0	0	0	115.4	I977 L991 G996 L998 L1002 R1026	I977-I1000 HydrophobicContact CD1-CB 3.99Å; I977-I1000 HydrophobicContact CD1-CG2 3.44Å; I977-I1000 VanDerWaalsContact CD1-CG2 3.44Å; L991-I1000 HydrophobicContact CD1-CD1 4.09Å; G996-I1000 WeakPolarHBondContact O-CG1 3.48Å; L998-I1000 WeakPolarHBondContact O-CG2 3.46Å; L998-I1000 PolarHBondContact O-N 2.96Å; I1000-L1002 HydrophobicContact CD1-CD1 3.75Å; I1000-L1002 HydrophobicContact CD1-CD2 4.5Å; I1000-L1002 HydrophobicContact CD1-CG 4.16Å; I1000-L1002 HydrophobicContact CG1-CD1 4.32Å; I1000-L1002 HydrophobicContact CG1-CG 4.38Å; I1000-R1026 HydrophobicContact CG1-CG 4.3Å; I1000-R1026 WeakPolarHBondContact O-CD 3.22Å; I1000-R1026 PolarHBondContact O-NH1 2.66Å
1001	N	83.2	Confident	84.3	Confident	40 Å²	40	20.1 Å²	20.1	21%	0.214	10%	0.102	C	C	.	.			trans	-122.7	118.1	-179.4	-173.1	54.6	0	0	0	111.4	N981 T1003 R1029	N981-N1001 PolarHBondContact ND2-O 3.26Å; N1001-T1003 PolarHBondContact ND2-OG1 3.39Å; N1001-T1003 WeakPolarHBondContact OD1-CG2 3.5Å; N1001-R1029 WeakPolarHBondContact OD1-CD 3.5Å; N1001-R1029 PolarHBondContact OD1-NE 3.24Å
1002	L	87.1	Confident	84.3	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.			trans	-128.9	37.8	-174.1	-60.5	174.1	0	0	0	111.8	V938 I977 Y980 F989 L991 I1000 S1004 A1005 R1026	V938-L1002 HydrophobicContact CG1-CD1 4.13Å; V938-L1002 HydrophobicContact CG2-CB 4.45Å; V938-L1002 HydrophobicContact CG2-CD1 4.01Å; I977-L1002 HydrophobicContact CG2-CD2 4.37Å; Y980-L1002 HydrophobicContact CD1-CD2 4.39Å; F989-L1002 HydrophobicContact CD1-CD2 3.76Å; F989-L1002 HydrophobicContact CE1-CD2 3.66Å; L991-L1002 HydrophobicContact CD1-CD1 3.58Å; I1000-L1002 HydrophobicContact CD1-CD1 3.75Å; I1000-L1002 HydrophobicContact CD1-CD2 4.5Å; I1000-L1002 HydrophobicContact CD1-CG 4.16Å; I1000-L1002 HydrophobicContact CG1-CD1 4.32Å; I1000-L1002 HydrophobicContact CG1-CG 4.38Å; L1002-S1004 PolarHBondContact O-N 3.02Å; L1002-A1005 PolarHBondContact O-N 3.1Å; L1002-R1026 HydrophobicContact CD1-CB 4.25Å; L1002-R1026 PolarHBondContact N-O 3.12Å
1003	T	86.4	Confident	84.3	Confident	29 Å²	29	20 Å²	20	18%	0.178	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.3	-178.9	45.8	0	0	0	0	114.7	N1001 R1029 Q1032	N1001-T1003 PolarHBondContact ND2-OG1 3.39Å; N1001-T1003 WeakPolarHBondContact OD1-CG2 3.5Å; T1003-R1029 HydrophobicContact CG2-CB 4.18Å; T1003-R1029 HydrophobicContact CG2-CG 4.4Å; T1003-Q1032 HydrophobicContact CG2-CB 4.47Å; T1003-Q1032 PolarHBondContact O-NE2 3.15Å
1004	S	91.4	Very high	84.5	Confident	35 Å²	35	20.8 Å²	20.8	25%	0.245	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.4	172.2	67.3	0	0	0	0	114.2	R936 Y980 N981 L1002	R936-S1004 PolarHBondContact NH1-O 3.36Å; R936-S1004 PolarHBondContact NH1-OG 3.3Å; R936-S1004 VanDerWaalsContact NH1-OG 3.14Å; Y980-S1004 WeakPolarHBondContact CD1-OG 3.47Å; Y980-S1004 WeakPolarHBondContact CE1-OG 3.4Å; N981-S1004 VanDerWaalsContact OD1-CB 3.27Å; N981-S1004 WeakPolarHBondContact OD1-CB 3.41Å; N981-S1004 PolarHBondContact OD1-OG 3.11Å; L1002-S1004 PolarHBondContact O-N 3.02Å
1005	A	93.8	Very high	84.9	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.084	C	C	.	.			trans	-97.4	147	169.7	0	0	0	0	0	110.7	V938 Y980 L1002 Q1032	V938-A1005 HydrophobicContact CG2-CB 3.47Å; V938-A1005 VanDerWaalsContact CG2-CB 3.47Å; Y980-A1005 HydrophobicContact CE1-CB 4.06Å; L1002-A1005 PolarHBondContact O-N 3.1Å; A1005-Q1032 PolarHBondContact O-NE2 2.67Å
1006	N	94.1	Very high	85.3	Confident	9 Å²	9	17 Å²	17	5%	0.048	9%	0.093	C	C	.	.			trans	-125.3	-3.9	176.3	73.7	-76.7	0	0	0	113.6	D935 R936 R1034 V1036 Q1037	D935-N1006 WeakPolarHBondContact CA-OD1 3.41Å; D935-N1006 PolarHBondContact OD1-ND2 3.21Å; R936-N1006 PolarHBondContact N-OD1 3.27Å; R936-N1006 PolarHBondContact O-N 3.03Å; N1006-R1034 HydrophobicContact CB-CB 3.81Å; N1006-V1036 WeakPolarHBondContact O-CA 3.43Å; N1006-Q1037 PolarHBondContact O-N 2.84Å
1007	V	96.5	Very high	86.3	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.3	171.4	-174.2	0	0	0	0	110	L930 D935 R936 V937 V938 I1009 Q1037 I1039	L930-V1007 HydrophobicContact CD1-CB 4.36Å; L930-V1007 HydrophobicContact CD1-CG1 3.84Å; L930-V1007 HydrophobicContact CD1-CG2 4.43Å; L930-V1007 HydrophobicContact CD2-CG2 3.99Å; D935-V1007 HydrophobicContact CB-CG2 3.94Å; R936-V1007 PolarHBondContact O-N 3.44Å; R936-V1007 VanDerWaalsContact O-N 3.11Å; V937-V1007 CarbonylContact C-O 3.57Å; V937-V1007 WeakPolarHBondContact CA-O 3.2Å; V937-V1007 HydrophobicContact CG2-CB 4.41Å; V938-V1007 PolarHBondContact N-O 3.19Å; V1007-I1009 HydrophobicContact CG1-CG1 4.28Å; V1007-Q1037 CarbonylContact C-O 3.56Å; V1007-Q1037 WeakPolarHBondContact CA-O 3.44Å; V1007-Q1037 HydrophobicContact CG1-CB 4.47Å; V1007-Q1037 HydrophobicContact CG2-CB 4.34Å; V1007-I1039 HydrophobicContact CG1-CD1 3.87Å; V1007-I1039 HydrophobicContact CG1-CG1 4.32Å
1008	V	96.2	Very high	87.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.9	174.1	178.9	0	0	0	0	108.2	V938 F940 L1010 C1027 V1036 Q1037 V1038 I1039	V938-V1008 CarbonylContact O-C 3.46Å; V938-V1008 WeakPolarHBondContact O-CA 3.15Å; F940-V1008 HydrophobicContact CD2-CG1 3.76Å; F940-V1008 HydrophobicContact CE2-CG1 3.79Å; V1008-L1010 HydrophobicContact CG1-CD2 3.99Å; V1008-C1027 HydrophobicContact CG2-CB 3.75Å; V1008-C1027 VanDerWaalsContact CG2-SG 3.59Å; V1008-V1036 HydrophobicContact CG2-CG1 4.36Å; V1008-Q1037 PolarHBondContact N-O 3.07Å; V1008-V1038 HydrophobicContact CB-CG2 4.39Å; V1008-V1038 CarbonylContact O-C 3.59Å; V1008-V1038 WeakPolarHBondContact O-CA 3.34Å; V1008-I1039 PolarHBondContact O-N 3.5Å
1009	I	97.4	Very high	88.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.4	172.6	-58.6	179.1	0	0	0	108.1	L923 L926 L927 L930 V937 V938 L939 F940 V1007 I1039 L1041	L923-I1009 HydrophobicContact CD1-CD1 3.87Å; L923-I1009 HydrophobicContact CD1-CG2 4.46Å; L926-I1009 HydrophobicContact CD2-CD1 3.76Å; L926-I1009 HydrophobicContact CD2-CG1 4.36Å; L926-I1009 HydrophobicContact CG-CD1 4.36Å; L927-I1009 HydrophobicContact CD2-CD1 4.37Å; L930-I1009 HydrophobicContact CD1-CD1 4.33Å; V937-I1009 HydrophobicContact CG1-CD1 3.6Å; V937-I1009 HydrophobicContact CG1-CG1 3.88Å; V938-I1009 PolarHBondContact O-N 3.33Å; L939-I1009 CarbonylContact C-O 3.59Å; L939-I1009 WeakPolarHBondContact CA-O 3.44Å; L939-I1009 HydrophobicContact CB-CB 4.45Å; L939-I1009 HydrophobicContact CD1-CG2 4.36Å; L939-I1009 HydrophobicContact CG-CB 4.28Å; L939-I1009 HydrophobicContact CG-CG2 4.31Å; F940-I1009 PolarHBondContact N-O 2.77Å; V1007-I1009 HydrophobicContact CG1-CG1 4.28Å; I1009-I1039 CarbonylContact C-O 3.59Å; I1009-I1039 WeakPolarHBondContact CA-O 3.34Å; I1009-I1039 HydrophobicContact CG1-CB 4.43Å; I1009-L1041 HydrophobicContact CG2-CD1 3.89Å; I1009-L1041 HydrophobicContact CG2-CG 4Å
1010	L	96.3	Very high	89.4	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	107.4	163.8	-52.5	-170.4	0	0	0	107.3	F940 V1008 D1012 D1020 I1039 K1040 L1041	F940-L1010 HydrophobicContact CB-CD2 3.82Å; F940-L1010 HydrophobicContact CD2-CD2 3.78Å; F940-L1010 HydrophobicContact CG-CD2 4.14Å; V1008-L1010 HydrophobicContact CG1-CD2 3.99Å; L1010-D1012 VanDerWaalsContact C-N 3.32Å; L1010-D1020 HydrophobicContact CD1-CB 3.72Å; L1010-I1039 PolarHBondContact N-O 2.86Å; L1010-K1040 HydrophobicContact CB-CG 4.31Å; L1010-K1040 HydrophobicContact CD1-CD 4.06Å; L1010-K1040 HydrophobicContact CD1-CG 4.04Å; L1010-K1040 HydrophobicContact CG-CG 4.28Å; L1010-L1041 PolarHBondContact O-N 2.96Å
1011	H	96.4	Very high	89.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-68.6	-35.1	176.4	-173.3	-77.5	0	0	0	111	N847 K919 F920 L939 F940	N847-H1011 PolarHBondContact OD1-CE1 3.48Å; N847-H1011 PolarHBondContact OD1-ND1 3.06Å; K919-H1011 PolarHBondContact NZ-O 3.23Å; F920-H1011 AromaticContact CE1-NE2 3.88Å; L939-H1011 HydrophobicContact CD2-CB 4.08Å; F940-H1011 WeakPolarHBondContact O-CB 3.03Å; F940-H1011 PolarHBondContact O-N 2.77Å
1012	D	94.2	Very high	89.7	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-150.5	146.9	171.1	74.3	-56.1	0	0	0	112.4	R843 N847 S941 Q942 F943 L1010	R843-D1012 IonicContact CZ-OD2 2.77Å; R843-D1012 IonicContact NH2-OD2 2.68Å; R843-D1012 PolarHBondContact NH2-OD2 2.89Å; N847-D1012 WeakPolarHBondContact ND2-CB 3.27Å; N847-D1012 PolarHBondContact ND2-OD2 3.03Å; N847-D1012 WeakPolarHBondContact OD1-CB 3.47Å; S941-D1012 VanDerWaalsContact CA-OD1 3.31Å; S941-D1012 WeakPolarHBondContact CA-OD1 3.48Å; S941-D1012 WeakPolarHBondContact CB-OD1 3.2Å; S941-D1012 PolarHBondContact OG-OD1 2.88Å; Q942-D1012 WeakPolarHBondContact CB-OD2 3.28Å; Q942-D1012 PolarHBondContact N-OD1 2.7Å; F943-D1012 WeakPolarHBondContact CD2-OD2 3.27Å; F943-D1012 VanDerWaalsContact CE2-OD2 3.23Å; F943-D1012 WeakPolarHBondContact CE2-OD2 3.35Å; L1010-D1012 VanDerWaalsContact C-N 3.32Å
1013	I	92	Very high	89.8	Confident	7 Å²	7	19.2 Å²	19.2	4%	0.036	10%	0.097	C	C	.	.			trans	-94.8	155.4	-166.8	56.9	169.3	0	0	0	113.5	R843 I1042 I1051 L1052	R843-I1013 VanDerWaalsContact CZ-O 3.24Å; R843-I1013 PolarHBondContact NH1-O 3.23Å; R843-I1013 PolarHBondContact NH2-O 2.82Å; I1013-I1042 HydrophobicContact CD1-CD1 3.81Å; I1013-I1042 HydrophobicContact CG1-CD1 4.12Å; I1013-I1042 HydrophobicContact CG2-CD1 3.88Å; I1013-I1051 HydrophobicContact CD1-CB 4.1Å; I1013-I1051 HydrophobicContact CD1-CG2 3.76Å; I1013-I1051 HydrophobicContact CG1-CG2 4Å; I1013-L1052 HydrophobicContact CD1-CB 3.82Å; I1013-L1052 HydrophobicContact CD1-CD1 4.38Å
1014	D	89.8	Confident	89.9	Confident	22 Å²	22	18 Å²	18	12%	0.118	9%	0.089	C	C	.	.			trans	-79.8	159.7	174.8	-150.7	-60.8	0	0	0	112.3	Q942 N1016 N1019 D1020 I1051	Q942-D1014 PolarHBondContact NE2-OD2 2.76Å; D1014-N1016 PolarHBondContact OD1-N 3.48Å; D1014-N1019 HydrophobicContact CB-CB 4.08Å; D1014-N1019 VanDerWaalsContact CG-ND2 3.32Å; D1014-N1019 WeakPolarHBondContact OD2-CB 3.31Å; D1014-N1019 PolarHBondContact OD2-ND2 2.94Å; D1014-D1020 PolarHBondContact N-OD1 3.4Å; D1014-D1020 PolarHBondContact N-OD2 3.04Å; D1014-I1051 WeakPolarHBondContact O-CG2 3.5Å
1015	Y	83.8	Confident	89.7	Confident	82 Å²	82	16.8 Å²	16.8	32%	0.322	8%	0.08	S	C	.	.	S	Bend	trans	-71.5	-21.4	162.5	-62.2	-72.7	0	0	0	112	M839 R843 I1051 K1058	M839-Y1015 HydrophobicContact CE-CE1 3.77Å; M839-Y1015 HydrophobicContact SD-CE1 3.71Å; R843-Y1015 WeakPolarHBondContact CD-OH 3.5Å; Y1015-I1051 HydrophobicContact CD1-CD1 4.14Å; Y1015-I1051 HydrophobicContact CD1-CG1 4Å; Y1015-I1051 HydrophobicContact CD1-CG2 4.01Å; Y1015-I1051 HydrophobicContact CE1-CD1 3.48Å; Y1015-I1051 VanDerWaalsContact CE1-CD1 3.48Å; Y1015-I1051 HydrophobicContact CE1-CG1 3.67Å; Y1015-I1051 HydrophobicContact CE1-CG2 4.44Å; Y1015-K1058 PolarHBondContact O-NZ 2.89Å
1016	N	82.3	Confident	89.3	Confident	50 Å²	50	17.6 Å²	17.6	27%	0.267	8%	0.082	S	C	.	.	S	Bend	trans	-108.5	97.5	176.4	-171.1	45.4	0	0	0	110.8	D1014 Y1018 N1019	D1014-N1016 PolarHBondContact OD1-N 3.48Å; N1016-Y1018 PolarHBondContact O-N 3.13Å; N1016-Y1018 WeakPolarHBondContact OD1-CD2 3.4Å; N1016-N1019 PolarHBondContact ND2-OD1 3.47Å; N1016-N1019 WeakPolarHBondContact O-CB 3.46Å; N1016-N1019 PolarHBondContact O-N 3.29Å
1017	P	84.4	Confident	89.1	Confident	10 Å²	10	17.1 Å²	17.1	7%	0.065	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-8.7	-171.7	28	-37.3	0	0	0	114.6	K1021 K1058 L1059	P1017-K1021 WeakPolarHBondContact O-CG 3.32Å; P1017-K1021 PolarHBondContact O-N 3.36Å; P1017-K1021 VanDerWaalsContact O-N 3.11Å; P1017-K1058 HydrophobicContact CG-CB 4.28Å; P1017-L1059 HydrophobicContact CB-CD1 4Å; P1017-L1059 HydrophobicContact CB-CD2 3.94Å; P1017-L1059 HydrophobicContact CB-CG 3.84Å; P1017-L1059 HydrophobicContact CG-CD1 4.45Å; P1017-L1059 HydrophobicContact CG-CD2 3.73Å; P1017-L1059 HydrophobicContact CG-CG 3.75Å
1018	Y	80.8	Confident	88.7	Confident	23 Å²	23	17.7 Å²	17.7	9%	0.09	8%	0.083	C	C	.	.	H	α-helix	trans	-71	-30.9	169.7	-59.4	-76.9	0	0	0	112.7	T726 P727 N1016 K1021 Q1022 L1059 E1062	T726-Y1018 HydrophobicContact CG2-CG 4.45Å; P727-Y1018 HydrophobicContact CG-CD1 4.47Å; P727-Y1018 HydrophobicContact CG-CE1 3.74Å; N1016-Y1018 PolarHBondContact O-N 3.13Å; N1016-Y1018 WeakPolarHBondContact OD1-CD2 3.4Å; Y1018-K1021 PolarHBondContact O-N 3.33Å; Y1018-Q1022 WeakPolarHBondContact O-CB 3.33Å; Y1018-Q1022 PolarHBondContact O-N 3.02Å; Y1018-L1059 HydrophobicContact CE1-CD2 4.43Å; Y1018-E1062 HydrophobicContact CE1-CG 4.49Å; Y1018-E1062 WeakPolarHBondContact CE1-OE2 3.44Å; Y1018-E1062 VanDerWaalsContact OH-CB 3.31Å; Y1018-E1062 WeakPolarHBondContact OH-CB 3.22Å; Y1018-E1062 WeakPolarHBondContact OH-CG 3.35Å; Y1018-E1062 PolarHBondContact OH-OE2 3.49Å
1019	N	83.8	Confident	88.2	Confident	48 Å²	48	19.8 Å²	19.8	26%	0.257	9%	0.09	S	C	.	.	H	α-helix	trans	-65.2	-44.1	176.2	-62.5	5.6	0	0	0	109.8	D1014 N1016 Q1022 A1023	D1014-N1019 HydrophobicContact CB-CB 4.08Å; D1014-N1019 VanDerWaalsContact CG-ND2 3.32Å; D1014-N1019 WeakPolarHBondContact OD2-CB 3.31Å; D1014-N1019 PolarHBondContact OD2-ND2 2.94Å; N1016-N1019 PolarHBondContact ND2-OD1 3.47Å; N1016-N1019 WeakPolarHBondContact O-CB 3.46Å; N1016-N1019 PolarHBondContact O-N 3.29Å; N1019-Q1022 PolarHBondContact O-N 2.89Å; N1019-A1023 PolarHBondContact O-N 3.19Å
1020	D	88.8	Confident	87.2	Confident	8 Å²	8	22.3 Å²	22.3	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-49	175.5	-65.9	-23	0	0	0	111.2	L1010 D1014 Q1022 A1023 E1024	L1010-D1020 HydrophobicContact CD1-CB 3.72Å; D1014-D1020 PolarHBondContact N-OD1 3.4Å; D1014-D1020 PolarHBondContact N-OD2 3.04Å; D1020-Q1022 VanDerWaalsContact C-N 3.3Å; D1020-Q1022 PolarHBondContact O-N 3.18Å; D1020-A1023 WeakPolarHBondContact O-CB 3.24Å; D1020-A1023 PolarHBondContact O-N 3.33Å; D1020-E1024 WeakPolarHBondContact O-CG 3.31Å; D1020-E1024 PolarHBondContact O-N 3.42Å
1021	K	85.1	Confident	86.5	Confident	62 Å²	62	24.9 Å²	24.9	27%	0.27	13%	0.132	S	C	.	.	H	α-helix	trans	-57.3	-40.5	173.2	-76.9	-177.1	175.8	-175.9	0	112.8	P1017 Y1018 A1023 E1024 D1025 L1059 E1062	P1017-K1021 WeakPolarHBondContact O-CG 3.32Å; P1017-K1021 PolarHBondContact O-N 3.36Å; P1017-K1021 VanDerWaalsContact O-N 3.11Å; Y1018-K1021 PolarHBondContact O-N 3.33Å; K1021-A1023 PolarHBondContact O-N 2.83Å; K1021-E1024 PolarHBondContact O-N 3.17Å; K1021-D1025 WeakPolarHBondContact O-CB 3.37Å; K1021-D1025 PolarHBondContact O-N 3.41Å; K1021-L1059 HydrophobicContact CD-CD2 4.27Å; K1021-E1062 IonicContact NZ-OE2 3.91Å
1022	Q	84.2	Confident	86.1	Confident	15 Å²	15	25.5 Å²	25.5	7%	0.07	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-25.7	178	174.2	-179.9	53.6	0	0	112.5	M592 E697 G997 Y1018 N1019 D1020 R1026	M592-Q1022 HydrophobicContact CE-CG 3.83Å; M592-Q1022 HydrophobicContact SD-CB 3.7Å; M592-Q1022 HydrophobicContact SD-CG 3.64Å; E697-Q1022 PolarHBondContact OE1-NE2 3.35Å; G997-Q1022 VanDerWaalsContact O-CD 3.24Å; G997-Q1022 WeakPolarHBondContact O-CG 3.38Å; Y1018-Q1022 WeakPolarHBondContact O-CB 3.33Å; Y1018-Q1022 PolarHBondContact O-N 3.02Å; N1019-Q1022 PolarHBondContact O-N 2.89Å; D1020-Q1022 VanDerWaalsContact C-N 3.3Å; D1020-Q1022 PolarHBondContact O-N 3.18Å; Q1022-R1026 WeakPolarHBondContact O-CG 3.44Å; Q1022-R1026 PolarHBondContact O-NE 3.14Å; Q1022-R1026 VanDerWaalsContact O-NE 3.13Å
1023	A	87.3	Confident	85.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-80.5	-45.2	172	0	0	0	0	0	112.3	F940 T993 N1019 D1020 K1021 D1025 R1026	F940-A1023 HydrophobicContact CD1-CB 4.02Å; F940-A1023 HydrophobicContact CD2-CB 4.06Å; F940-A1023 HydrophobicContact CE1-CB 3.77Å; F940-A1023 HydrophobicContact CE2-CB 3.81Å; F940-A1023 HydrophobicContact CG-CB 4.15Å; F940-A1023 HydrophobicContact CZ-CB 3.66Å; T993-A1023 HydrophobicContact CG2-CB 4.13Å; N1019-A1023 PolarHBondContact O-N 3.19Å; D1020-A1023 WeakPolarHBondContact O-CB 3.24Å; D1020-A1023 PolarHBondContact O-N 3.33Å; K1021-A1023 PolarHBondContact O-N 2.83Å; A1023-D1025 VanDerWaalsContact C-N 3.27Å; A1023-D1025 PolarHBondContact O-N 3.29Å; A1023-R1026 VanDerWaalsContact O-CB 3.31Å; A1023-R1026 WeakPolarHBondContact O-CB 3.36Å; A1023-R1026 WeakPolarHBondContact O-CG 3.21Å; A1023-R1026 PolarHBondContact O-N 3.23Å; A1023-R1026 VanDerWaalsContact O-N 3.17Å
1024	E	90.1	Very high	85.7	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-53.1	-45.1	173	-65.8	167.1	-160.3	0	0	112.1	K800 D1020 K1021 R1026 C1027 H1028 V1038 K1040	K800-E1024 IonicContact NZ-OE2 3.76Å; K800-E1024 PolarHBondContact NZ-OE2 2.83Å; D1020-E1024 WeakPolarHBondContact O-CG 3.31Å; D1020-E1024 PolarHBondContact O-N 3.42Å; K1021-E1024 PolarHBondContact O-N 3.17Å; E1024-R1026 PolarHBondContact O-N 3.42Å; E1024-R1026 VanDerWaalsContact O-N 3.13Å; E1024-C1027 PolarHBondContact O-N 3.36Å; E1024-C1027 VanDerWaalsContact O-N 3.11Å; E1024-H1028 PolarHBondContact O-N 3.04Å; E1024-V1038 HydrophobicContact CB-CG2 4.14Å; E1024-V1038 HydrophobicContact CG-CB 4.44Å; E1024-V1038 HydrophobicContact CG-CG1 3.72Å; E1024-V1038 HydrophobicContact CG-CG2 3.8Å; E1024-K1040 WeakPolarHBondContact OE1-CE 3.46Å; E1024-K1040 IonicContact OE1-NZ 3.3Å; E1024-K1040 PolarHBondContact OE1-NZ 3.42Å
1025	D	86.8	Confident	85.8	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.053	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.3	-175.3	-77.1	4.1	0	0	0	114	M592 K790 K800 K1021 A1023 C1027	M592-D1025 HydrophobicContact CB-CB 4Å; K790-D1025 IonicContact NZ-OD1 3.91Å; K790-D1025 PolarHBondContact NZ-OD1 3.1Å; K790-D1025 IonicContact NZ-OD2 3.66Å; K790-D1025 PolarHBondContact NZ-OD2 2.83Å; K800-D1025 IonicContact NZ-OD1 2.73Å; K800-D1025 PolarHBondContact NZ-OD1 2.91Å; K1021-D1025 WeakPolarHBondContact O-CB 3.37Å; K1021-D1025 PolarHBondContact O-N 3.41Å; A1023-D1025 VanDerWaalsContact C-N 3.27Å; A1023-D1025 PolarHBondContact O-N 3.29Å; D1025-C1027 VanDerWaalsContact C-N 3.31Å
1026	R	85.8	Confident	86.3	Confident	18 Å²	18	34 Å²	34	7%	0.068	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.1	166.7	-56.9	-67.4	152.8	-160	0.8	112.4	G996 G997 G999 I1000 L1002 Q1022 A1023 E1024	G996-R1026 WeakPolarHBondContact O-CG 3.29Å; G997-R1026 VanDerWaalsContact O-CZ 3.3Å; G997-R1026 PolarHBondContact O-NE 3.01Å; G997-R1026 PolarHBondContact O-NH2 2.81Å; G999-R1026 PolarHBondContact O-NH1 3.21Å; I1000-R1026 HydrophobicContact CG1-CG 4.3Å; I1000-R1026 WeakPolarHBondContact O-CD 3.22Å; I1000-R1026 PolarHBondContact O-NH1 2.66Å; L1002-R1026 HydrophobicContact CD1-CB 4.25Å; L1002-R1026 PolarHBondContact N-O 3.12Å; Q1022-R1026 WeakPolarHBondContact O-CG 3.44Å; Q1022-R1026 PolarHBondContact O-NE 3.14Å; Q1022-R1026 VanDerWaalsContact O-NE 3.13Å; A1023-R1026 VanDerWaalsContact O-CB 3.31Å; A1023-R1026 WeakPolarHBondContact O-CB 3.36Å; A1023-R1026 WeakPolarHBondContact O-CG 3.21Å; A1023-R1026 PolarHBondContact O-N 3.23Å; A1023-R1026 VanDerWaalsContact O-N 3.17Å; E1024-R1026 PolarHBondContact O-N 3.42Å; E1024-R1026 VanDerWaalsContact O-N 3.13Å
1027	C	88.6	Confident	87	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-33.3	176.4	-53.6	0	0	0	0	111.5	V1008 E1024 D1025 R1029 Q1032 V1036	V1008-C1027 HydrophobicContact CG2-CB 3.75Å; V1008-C1027 VanDerWaalsContact CG2-SG 3.59Å; E1024-C1027 PolarHBondContact O-N 3.36Å; E1024-C1027 VanDerWaalsContact O-N 3.11Å; D1025-C1027 VanDerWaalsContact C-N 3.31Å; C1027-R1029 PolarHBondContact O-N 3.1Å; C1027-Q1032 PolarHBondContact O-NE2 3.12Å; C1027-V1036 HydrophobicContact CB-CG1 4.34Å
1028	H	88.7	Confident	87.6	Confident	13 Å²	13	33.9 Å²	33.9	6%	0.06	18%	0.183	C	C	.	.	S	Bend	trans	-89	68.7	174.8	-166.7	-115.2	0	0	0	112.4	K790 L797 P798 K800 E1024 V1036	K790-H1028 PolarHBondContact NZ-ND1 3.02Å; K790-H1028 PolarHBondContact NZ-O 3.34Å; L797-H1028 VanDerWaalsContact CD2-CE1 3.4Å; L797-H1028 WeakPolarHBondContact CD2-CE1 3.42Å; L797-H1028 WeakPolarHBondContact CD2-NE2 3.38Å; P798-H1028 PolarHBondContact O-NE2 2.85Å; K800-H1028 HydrophobicContact CD-CB 3.95Å; E1024-H1028 PolarHBondContact O-N 3.04Å; H1028-V1036 HydrophobicContact CB-CB 4.34Å; H1028-V1036 HydrophobicContact CB-CG1 4.33Å; H1028-V1036 HydrophobicContact CB-CG2 4.19Å
1029	R	84.8	Confident	88.4	Confident	43 Å²	43	32.9 Å²	32.9	16%	0.162	18%	0.179	C	C	.	.	S	Bend	trans	-134	158.8	-175.3	168	171.8	162	174.5	-1.7	111.4	E631 N1001 T1003 C1027 G1031 Q1032	E631-R1029 IonicContact OE1-NH2 2.97Å; N1001-R1029 WeakPolarHBondContact OD1-CD 3.5Å; N1001-R1029 PolarHBondContact OD1-NE 3.24Å; T1003-R1029 HydrophobicContact CG2-CB 4.18Å; T1003-R1029 HydrophobicContact CG2-CG 4.4Å; C1027-R1029 PolarHBondContact O-N 3.1Å; R1029-G1031 PolarHBondContact O-N 2.94Å; R1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; R1029-Q1032 PolarHBondContact O-N 3.02Å
1030	V	78	Confident	89	Confident	54 Å²	54	31.3 Å²	31.3	33%	0.327	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	122.6	170.8	178.3	0	0	0	0	110.5	L794	L794-V1030 HydrophobicContact CD1-CG2 3.46Å; L794-V1030 VanDerWaalsContact CD1-CG2 3.46Å; L794-V1030 HydrophobicContact CD2-CG2 4.25Å
1031	G	81.3	Confident	89.3	Confident	54 Å²	54	31 Å²	31	56%	0.557	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	115.3	-20.8	-170.8	0	0	0	0	0	113	R1029	R1029-G1031 PolarHBondContact O-N 2.94Å
1032	Q	87.5	Confident	89.9	Confident	13 Å²	13	28 Å²	28	6%	0.061	16%	0.155	C	C	.	.			trans	-67	138	170.4	-177.9	57.5	-99.7	0	0	111.8	L797 P798 T1003 A1005 C1027 R1029 R1034 V1036	L797-Q1032 HydrophobicContact CD1-CB 4.26Å; P798-Q1032 HydrophobicContact CG-CG 4.34Å; T1003-Q1032 HydrophobicContact CG2-CB 4.47Å; T1003-Q1032 PolarHBondContact O-NE2 3.15Å; A1005-Q1032 PolarHBondContact O-NE2 2.67Å; C1027-Q1032 PolarHBondContact O-NE2 3.12Å; R1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; R1029-Q1032 PolarHBondContact O-N 3.02Å; Q1032-R1034 VanDerWaalsContact CG-O 3.27Å; Q1032-R1034 WeakPolarHBondContact CG-O 3.47Å; Q1032-R1034 PolarHBondContact OE1-O 3.13Å; Q1032-V1036 HydrophobicContact CG-CG2 3.64Å
1033	T	87.7	Confident	90.4	Very high	123 Å²	123	27.3 Å²	27.3	76%	0.755	15%	0.152	S	C	*	.			trans	-123.2	-17.7	-178.8	58.2	0	0	0	0	113.9
1034	R	90.7	Very high	90.6	Very high	102 Å²	102	30.9 Å²	30.9	39%	0.385	17%	0.167	S	C	.	.	S	Bend	trans	-103	153.2	175.5	-64.2	176.8	71.3	164.5	5.1	110.5	P798 G934 D935 N1006 Q1032 V1036	P798-R1034 VanDerWaalsContact CB-O 3.23Å; P798-R1034 WeakPolarHBondContact CB-O 3.45Å; P798-R1034 WeakPolarHBondContact CG-O 3.37Å; G934-R1034 PolarHBondContact O-NH1 3.14Å; D935-R1034 IonicContact OD1-CZ 3.74Å; D935-R1034 IonicContact OD1-NH2 3.11Å; D935-R1034 PolarHBondContact OD1-NH2 3.37Å; N1006-R1034 HydrophobicContact CB-CB 3.81Å; Q1032-R1034 VanDerWaalsContact CG-O 3.27Å; Q1032-R1034 WeakPolarHBondContact CG-O 3.47Å; Q1032-R1034 PolarHBondContact OE1-O 3.13Å; R1034-V1036 PolarHBondContact O-N 2.9Å
1035	T	92	Very high	90.5	Very high	64 Å²	64	38 Å²	38	39%	0.393	21%	0.206	S	C	.	.			trans	-52.8	133.6	166.1	-58.8	0	0	0	0	109.6	A799 E801	A799-T1035 HydrophobicContact CB-CG2 4.25Å; A799-T1035 WeakPolarHBondContact O-CG2 3.5Å; E801-T1035 HydrophobicContact CG-CG2 4.09Å
1036	V	94.5	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	179.2	-179.8	0	0	0	0	109.5	A799 K800 E801 N1006 V1008 C1027 H1028 Q1032 R1034	A799-V1036 PolarHBondContact O-N 3.44Å; K800-V1036 CarbonylContact C-O 3.46Å; K800-V1036 WeakPolarHBondContact CA-O 3.45Å; E801-V1036 PolarHBondContact N-O 3.43Å; N1006-V1036 WeakPolarHBondContact O-CA 3.43Å; V1008-V1036 HydrophobicContact CG2-CG1 4.36Å; C1027-V1036 HydrophobicContact CB-CG1 4.34Å; H1028-V1036 HydrophobicContact CB-CB 4.34Å; H1028-V1036 HydrophobicContact CB-CG1 4.33Å; H1028-V1036 HydrophobicContact CB-CG2 4.19Å; Q1032-V1036 HydrophobicContact CG-CG2 3.64Å; R1034-V1036 PolarHBondContact O-N 2.9Å
1037	Q	96.1	Very high	90.8	Very high	59 Å²	59	38.4 Å²	38.4	28%	0.276	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.9	174.4	-167.3	174.4	61.3	0	0	109.8	N1006 V1007 V1008 I1039	N1006-Q1037 PolarHBondContact O-N 2.84Å; V1007-Q1037 CarbonylContact C-O 3.56Å; V1007-Q1037 WeakPolarHBondContact CA-O 3.44Å; V1007-Q1037 HydrophobicContact CG1-CB 4.47Å; V1007-Q1037 HydrophobicContact CG2-CB 4.34Å; V1008-Q1037 PolarHBondContact N-O 3.07Å; Q1037-I1039 HydrophobicContact CG-CD1 4.32Å; Q1037-I1039 HydrophobicContact CG-CG1 3.97Å
1038	V	96.4	Very high	90.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.1	172.5	178.7	0	0	0	0	108.2	K800 E801 E802 K803 V1008 E1024 K1040	K800-V1038 HydrophobicContact CD-CG2 3.86Å; K800-V1038 HydrophobicContact CG-CG2 3.93Å; E801-V1038 PolarHBondContact O-N 3.14Å; E802-V1038 HydrophobicContact CG-CG1 4.49Å; K803-V1038 PolarHBondContact N-O 3.04Å; V1008-V1038 HydrophobicContact CB-CG2 4.39Å; V1008-V1038 CarbonylContact O-C 3.59Å; V1008-V1038 WeakPolarHBondContact O-CA 3.34Å; E1024-V1038 HydrophobicContact CB-CG2 4.14Å; E1024-V1038 HydrophobicContact CG-CB 4.44Å; E1024-V1038 HydrophobicContact CG-CG1 3.72Å; E1024-V1038 HydrophobicContact CG-CG2 3.8Å; V1038-K1040 HydrophobicContact CG1-CG 4.22Å
1039	I	97.3	Very high	90.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.5	-177.9	-53	179.6	0	0	0	108.7	K803 E805 L926 V1007 V1008 I1009 L1010 Q1037 L1041	K803-I1039 CarbonylContact O-C 3.47Å; K803-I1039 WeakPolarHBondContact O-CA 3.38Å; E805-I1039 HydrophobicContact CB-CG2 4.38Å; E805-I1039 HydrophobicContact CG-CG2 3.54Å; L926-I1039 HydrophobicContact CD1-CD1 3.69Å; L926-I1039 HydrophobicContact CD2-CD1 3.84Å; L926-I1039 HydrophobicContact CD2-CG2 4.01Å; L926-I1039 HydrophobicContact CG-CD1 4.31Å; V1007-I1039 HydrophobicContact CG1-CD1 3.87Å; V1007-I1039 HydrophobicContact CG1-CG1 4.32Å; V1008-I1039 PolarHBondContact O-N 3.5Å; I1009-I1039 CarbonylContact C-O 3.59Å; I1009-I1039 WeakPolarHBondContact CA-O 3.34Å; I1009-I1039 HydrophobicContact CG1-CB 4.43Å; L1010-I1039 PolarHBondContact N-O 2.86Å; Q1037-I1039 HydrophobicContact CG-CD1 4.32Å; Q1037-I1039 HydrophobicContact CG-CG1 3.97Å; I1039-L1041 HydrophobicContact CG2-CD2 4.12Å
1040	K	96.4	Very high	90.9	Very high	15 Å²	15	41 Å²	41	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113	-178.2	-57.1	-173.3	179.6	173.7	0	109.5	E802 K803 E805 L1010 E1024 V1038	E802-K1040 VanDerWaalsContact CD-NZ 3.29Å; E802-K1040 WeakPolarHBondContact OE1-CD 3.45Å; E802-K1040 WeakPolarHBondContact OE1-CE 3.39Å; E802-K1040 IonicContact OE1-NZ 2.75Å; E802-K1040 PolarHBondContact OE1-NZ 3.33Å; E802-K1040 IonicContact OE2-NZ 3.02Å; K803-K1040 PolarHBondContact O-N 3.12Å; E805-K1040 PolarHBondContact N-O 3.35Å; L1010-K1040 HydrophobicContact CB-CG 4.31Å; L1010-K1040 HydrophobicContact CD1-CD 4.06Å; L1010-K1040 HydrophobicContact CD1-CG 4.04Å; L1010-K1040 HydrophobicContact CG-CG 4.28Å; E1024-K1040 WeakPolarHBondContact OE1-CE 3.46Å; E1024-K1040 IonicContact OE1-NZ 3.3Å; E1024-K1040 PolarHBondContact OE1-NZ 3.42Å; V1038-K1040 HydrophobicContact CG1-CG 4.22Å
1041	L	96.8	Very high	91.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.5	-178.4	-57.5	-174.4	0	0	0	110	E805 K919 L923 I1009 L1010 I1039	E805-L1041 HydrophobicContact CB-CD2 3.96Å; E805-L1041 HydrophobicContact CG-CD2 4.49Å; K919-L1041 HydrophobicContact CD-CB 4.3Å; K919-L1041 WeakPolarHBondContact CE-O 3.29Å; K919-L1041 PolarHBondContact NZ-O 3.41Å; K919-L1041 VanDerWaalsContact NZ-O 3.08Å; L923-L1041 HydrophobicContact CB-CD1 4.36Å; L923-L1041 HydrophobicContact CD1-CD1 4.32Å; I1009-L1041 HydrophobicContact CG2-CD1 3.89Å; I1009-L1041 HydrophobicContact CG2-CG 4Å; L1010-L1041 PolarHBondContact O-N 2.96Å; I1039-L1041 HydrophobicContact CG2-CD2 4.12Å
1042	I	96.3	Very high	91.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.1	-175.9	-55.4	-62.5	0	0	0	108.9	I804 E805 F806 C807 I1013 K1044 E1048 L1052	I804-I1042 HydrophobicContact CG2-CG1 3.84Å; E805-I1042 PolarHBondContact O-N 2.86Å; F806-I1042 CarbonylContact C-O 3.35Å; F806-I1042 WeakPolarHBondContact CA-O 3.46Å; F806-I1042 HydrophobicContact CD1-CB 4.2Å; F806-I1042 HydrophobicContact CD1-CG2 4.07Å; F806-I1042 HydrophobicContact CE1-CB 4.35Å; F806-I1042 HydrophobicContact CE1-CG2 3.99Å; C807-I1042 PolarHBondContact N-O 2.92Å; I1013-I1042 HydrophobicContact CD1-CD1 3.81Å; I1013-I1042 HydrophobicContact CG1-CD1 4.12Å; I1013-I1042 HydrophobicContact CG2-CD1 3.88Å; I1042-K1044 PolarHBondContact O-N 3.15Å; I1042-E1048 HydrophobicContact CG2-CB 4.05Å; I1042-L1052 HydrophobicContact CG1-CD2 4.31Å
1043	S	94.4	Very high	91.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.1	174.3	-77	0	0	0	0	110.5	C807 A846 K919 S1046 E1048	C807-S1043 WeakPolarHBondContact O-CA 3.49Å; A846-S1043 PolarHBondContact O-OG 2.94Å; K919-S1043 WeakPolarHBondContact CE-OG 3.22Å; S1043-S1046 VanDerWaalsContact O-CB 3.31Å; S1043-S1046 WeakPolarHBondContact O-CB 3.34Å; S1043-S1046 PolarHBondContact O-OG 3.28Å; S1043-E1048 PolarHBondContact N-OE2 3.46Å
1044	K	91.6	Very high	91.4	Very high	74 Å²	74	38.3 Å²	38.3	32%	0.322	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	150.6	176	-71.8	-168.7	-176.6	85.6	0	111.6	F806 C807 S808 I1042 S1046	F806-K1044 HydrophobicContact CB-CG 3.87Å; F806-K1044 WeakPolarHBondContact O-CE 3.34Å; F806-K1044 PolarHBondContact O-NZ 3.49Å; C807-K1044 PolarHBondContact O-N 2.93Å; S808-K1044 PolarHBondContact OG-NZ 3.27Å; I1042-K1044 PolarHBondContact O-N 3.15Å; K1044-S1046 PolarHBondContact O-N 3.26Å
1045	D	88.5	Confident	91	Very high	154 Å²	154	33.9 Å²	33.9	82%	0.824	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	26.1	173.8	-53.7	-63.3	0	0	0	113.9
1046	S	90.4	Very high	90.7	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.049	18%	0.183	C	C	.	.	S	Bend	trans	-118.7	170.7	-172.3	89.1	0	0	0	0	112.7	Y817 S1043 K1044 E1048 D1049	Y817-S1046 WeakPolarHBondContact OH-CA 3.47Å; S1043-S1046 VanDerWaalsContact O-CB 3.31Å; S1043-S1046 WeakPolarHBondContact O-CB 3.34Å; S1043-S1046 PolarHBondContact O-OG 3.28Å; K1044-S1046 PolarHBondContact O-N 3.26Å; S1046-E1048 PolarHBondContact O-N 2.84Å; S1046-E1048 VanDerWaalsContact O-N 3.09Å; S1046-E1048 PolarHBondContact OG-N 3.48Å; S1046-D1049 PolarHBondContact O-N 2.88Å
1047	I	88.7	Confident	89.8	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-21.6	175.4	-163.3	59.4	0	0	0	113.4	Y817 M839 L842 R843 C1050 I1051	Y817-I1047 PolarHBondContact OH-N 3.34Å; M839-I1047 HydrophobicContact CE-CD1 3.75Å; M839-I1047 HydrophobicContact CE-CG1 3.84Å; M839-I1047 HydrophobicContact CG-CD1 4.08Å; M839-I1047 HydrophobicContact CG-CG1 3.7Å; L842-I1047 HydrophobicContact CB-CB 4.21Å; L842-I1047 HydrophobicContact CB-CG2 3.89Å; R843-I1047 HydrophobicContact CB-CG2 4.5Å; R843-I1047 HydrophobicContact CG-CG2 3.82Å; I1047-C1050 PolarHBondContact O-N 3.24Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; I1047-I1051 PolarHBondContact O-N 3.14Å
1048	E	89.8	Confident	88.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-32.7	-179.6	-61	-170	132.9	0	0	113.5	A846 K919 I1042 S1043 S1046 I1051 L1052	A846-E1048 HydrophobicContact CB-CG 4.37Å; K919-E1048 WeakPolarHBondContact CE-OE2 3.34Å; K919-E1048 IonicContact NZ-OE1 2.63Å; K919-E1048 PolarHBondContact NZ-OE1 3.47Å; K919-E1048 IonicContact NZ-OE2 2.65Å; K919-E1048 PolarHBondContact NZ-OE2 3.02Å; I1042-E1048 HydrophobicContact CG2-CB 4.05Å; S1043-E1048 PolarHBondContact N-OE2 3.46Å; S1046-E1048 PolarHBondContact O-N 2.84Å; S1046-E1048 VanDerWaalsContact O-N 3.09Å; S1046-E1048 PolarHBondContact OG-N 3.48Å; E1048-I1051 PolarHBondContact O-N 3.3Å; E1048-L1052 WeakPolarHBondContact O-CB 3.46Å; E1048-L1052 PolarHBondContact O-N 3.11Å
1049	D	88.1	Confident	87.9	Confident	48 Å²	48	45.3 Å²	45.3	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-41.3	174.5	176.6	34.9	0	0	0	110.6	S1046 I1051 L1052 Q1053	S1046-D1049 PolarHBondContact O-N 2.88Å; D1049-I1051 VanDerWaalsContact C-N 3.28Å; D1049-I1051 PolarHBondContact O-N 3.35Å; D1049-L1052 WeakPolarHBondContact O-CB 3.48Å; D1049-L1052 PolarHBondContact O-N 3.28Å; D1049-Q1053 VanDerWaalsContact O-CG 3.3Å; D1049-Q1053 WeakPolarHBondContact O-CG 3.32Å; D1049-Q1053 PolarHBondContact O-N 3.37Å; D1049-Q1053 PolarHBondContact OD1-NE2 3.45Å; D1049-Q1053 PolarHBondContact OD2-NE2 3.06Å
1050	C	86.3	Confident	86.7	Confident	62 Å²	62	51.1 Å²	51.1	42%	0.419	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-38.4	172.1	-58	0	0	0	0	112.3	I1047 L1054	I1047-C1050 PolarHBondContact O-N 3.24Å; C1050-L1054 WeakPolarHBondContact O-CB 3.22Å; C1050-L1054 WeakPolarHBondContact O-CD1 3.23Å; C1050-L1054 VanDerWaalsContact O-CG 3.22Å; C1050-L1054 WeakPolarHBondContact O-CG 3.43Å; C1050-L1054 PolarHBondContact O-N 2.89Å; C1050-L1054 VanDerWaalsContact O-N 3.1Å
1051	I	88.3	Confident	85.2	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-43.4	176.7	-63.5	166.4	0	0	0	110.6	M839 R843 I1013 D1014 Y1015 I1047 E1048 D1049 L1054 G1055	M839-I1051 HydrophobicContact CE-CD1 4.19Å; M839-I1051 HydrophobicContact CE-CG1 3.84Å; R843-I1051 HydrophobicContact CG-CD1 4.01Å; I1013-I1051 HydrophobicContact CD1-CB 4.1Å; I1013-I1051 HydrophobicContact CD1-CG2 3.76Å; I1013-I1051 HydrophobicContact CG1-CG2 4Å; D1014-I1051 WeakPolarHBondContact O-CG2 3.5Å; Y1015-I1051 HydrophobicContact CD1-CD1 4.14Å; Y1015-I1051 HydrophobicContact CD1-CG1 4Å; Y1015-I1051 HydrophobicContact CD1-CG2 4.01Å; Y1015-I1051 HydrophobicContact CE1-CD1 3.48Å; Y1015-I1051 VanDerWaalsContact CE1-CD1 3.48Å; Y1015-I1051 HydrophobicContact CE1-CG1 3.67Å; Y1015-I1051 HydrophobicContact CE1-CG2 4.44Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; I1047-I1051 PolarHBondContact O-N 3.14Å; E1048-I1051 PolarHBondContact O-N 3.3Å; D1049-I1051 VanDerWaalsContact C-N 3.28Å; D1049-I1051 PolarHBondContact O-N 3.35Å; I1051-L1054 PolarHBondContact O-N 3.13Å; I1051-G1055 PolarHBondContact O-N 3.21Å
1052	L	89.4	Confident	83.6	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-50.7	175.9	177.7	70.9	0	0	0	111.1	I804 F806 I1013 I1042 E1048 D1049 L1054 G1055 Q1056	I804-L1052 HydrophobicContact CD1-CD1 4.22Å; I804-L1052 HydrophobicContact CD1-CD2 4.29Å; I804-L1052 HydrophobicContact CG2-CD2 4.1Å; F806-L1052 HydrophobicContact CE1-CD2 4.3Å; F806-L1052 HydrophobicContact CZ-CD2 4Å; I1013-L1052 HydrophobicContact CD1-CB 3.82Å; I1013-L1052 HydrophobicContact CD1-CD1 4.38Å; I1042-L1052 HydrophobicContact CG1-CD2 4.31Å; E1048-L1052 WeakPolarHBondContact O-CB 3.46Å; E1048-L1052 PolarHBondContact O-N 3.11Å; D1049-L1052 WeakPolarHBondContact O-CB 3.48Å; D1049-L1052 PolarHBondContact O-N 3.28Å; L1052-L1054 VanDerWaalsContact C-N 3.33Å; L1052-L1054 PolarHBondContact O-N 2.76Å; L1052-G1055 PolarHBondContact O-N 2.73Å; L1052-G1055 VanDerWaalsContact O-N 3.17Å; L1052-Q1056 WeakPolarHBondContact O-CB 3.35Å; L1052-Q1056 WeakPolarHBondContact O-CG 3.3Å; L1052-Q1056 PolarHBondContact O-N 2.78Å
1053	Q	86.8	Confident	82.1	Confident	79 Å²	79	61.7 Å²	61.7	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-36.8	179.5	-68.3	174.8	31.3	0	0	112.4	D1049 K1057	D1049-Q1053 VanDerWaalsContact O-CG 3.3Å; D1049-Q1053 WeakPolarHBondContact O-CG 3.32Å; D1049-Q1053 PolarHBondContact O-N 3.37Å; D1049-Q1053 PolarHBondContact OD1-NE2 3.45Å; D1049-Q1053 PolarHBondContact OD2-NE2 3.06Å; Q1053-K1057 WeakPolarHBondContact O-CB 3.28Å; Q1053-K1057 WeakPolarHBondContact O-CD 3.25Å; Q1053-K1057 VanDerWaalsContact O-CG 3.23Å; Q1053-K1057 WeakPolarHBondContact O-CG 3.43Å; Q1053-K1057 PolarHBondContact O-N 2.66Å
1054	L	80.4	Confident	80.3	Confident	91 Å²	91	65.4 Å²	65.4	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-69.1	-39.3	173.5	-72.7	169.6	0	0	0	111.9	C1050 I1051 L1052 K1057 K1058	C1050-L1054 WeakPolarHBondContact O-CB 3.22Å; C1050-L1054 WeakPolarHBondContact O-CD1 3.23Å; C1050-L1054 VanDerWaalsContact O-CG 3.22Å; C1050-L1054 WeakPolarHBondContact O-CG 3.43Å; C1050-L1054 PolarHBondContact O-N 2.89Å; C1050-L1054 VanDerWaalsContact O-N 3.1Å; I1051-L1054 PolarHBondContact O-N 3.13Å; L1052-L1054 VanDerWaalsContact C-N 3.33Å; L1052-L1054 PolarHBondContact O-N 2.76Å; L1054-K1057 PolarHBondContact O-N 3.17Å; L1054-K1058 WeakPolarHBondContact O-CG 3.24Å; L1054-K1058 PolarHBondContact O-N 3.09Å
1055	G	82.6	Confident	78.2	Confident	9 Å²	9	63.9 Å²	63.9	9%	0.093	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-48.3	173.3	0	0	0	0	0	112.1	I1051 L1052 K1057 K1058 L1059	I1051-G1055 PolarHBondContact O-N 3.21Å; L1052-G1055 PolarHBondContact O-N 2.73Å; L1052-G1055 VanDerWaalsContact O-N 3.17Å; G1055-K1057 PolarHBondContact O-N 2.88Å; G1055-K1058 WeakPolarHBondContact O-CB 3.43Å; G1055-K1058 PolarHBondContact O-N 3.02Å; G1055-L1059 WeakPolarHBondContact O-CG 3.34Å; G1055-L1059 PolarHBondContact O-N 3.26Å
1056	Q	85.3	Confident	76.5	Confident	95 Å²	95	59 Å²	59	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-41.7	175.3	-72.6	175.5	-6.6	0	0	112.2	L1052 L1059 K1060	L1052-Q1056 WeakPolarHBondContact O-CB 3.35Å; L1052-Q1056 WeakPolarHBondContact O-CG 3.3Å; L1052-Q1056 PolarHBondContact O-N 2.78Å; Q1056-L1059 PolarHBondContact O-N 2.87Å; Q1056-K1060 WeakPolarHBondContact O-CB 3.48Å; Q1056-K1060 PolarHBondContact O-N 3.43Å
1057	K	76.7	Confident	74.4	Confident	136 Å²	136	60.5 Å²	60.5	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-42.5	173.8	-74.9	167	-175.3	173.1	0	112.4	Q1053 L1054 G1055 L1061	Q1053-K1057 WeakPolarHBondContact O-CB 3.28Å; Q1053-K1057 WeakPolarHBondContact O-CD 3.25Å; Q1053-K1057 VanDerWaalsContact O-CG 3.23Å; Q1053-K1057 WeakPolarHBondContact O-CG 3.43Å; Q1053-K1057 PolarHBondContact O-N 2.66Å; L1054-K1057 PolarHBondContact O-N 3.17Å; G1055-K1057 PolarHBondContact O-N 2.88Å; K1057-L1061 WeakPolarHBondContact O-CB 3.15Å; K1057-L1061 PolarHBondContact O-N 3.44Å
1058	K	74.3	Confident	72	Confident	100 Å²	100	61.9 Å²	61.9	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-43.6	174.3	-71.5	174.3	-176.9	-176.5	0	112.2	Y1015 P1017 L1054 G1055 E1062	Y1015-K1058 PolarHBondContact O-NZ 2.89Å; P1017-K1058 HydrophobicContact CG-CB 4.28Å; L1054-K1058 WeakPolarHBondContact O-CG 3.24Å; L1054-K1058 PolarHBondContact O-N 3.09Å; G1055-K1058 WeakPolarHBondContact O-CB 3.43Å; G1055-K1058 PolarHBondContact O-N 3.02Å; K1058-E1062 PolarHBondContact O-N 2.89Å; K1058-E1062 VanDerWaalsContact O-N 3.1Å
1059	L	77.3	Confident	69.8	Low	31 Å²	31	65.3 Å²	65.3	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-42.6	178.6	-71.3	-174.2	0	0	0	112.3	P1017 Y1018 K1021 G1055 Q1056 E1062 Q1063	P1017-L1059 HydrophobicContact CB-CD1 4Å; P1017-L1059 HydrophobicContact CB-CD2 3.94Å; P1017-L1059 HydrophobicContact CB-CG 3.84Å; P1017-L1059 HydrophobicContact CG-CD1 4.45Å; P1017-L1059 HydrophobicContact CG-CD2 3.73Å; P1017-L1059 HydrophobicContact CG-CG 3.75Å; Y1018-L1059 HydrophobicContact CE1-CD2 4.43Å; K1021-L1059 HydrophobicContact CD-CD2 4.27Å; G1055-L1059 WeakPolarHBondContact O-CG 3.34Å; G1055-L1059 PolarHBondContact O-N 3.26Å; Q1056-L1059 PolarHBondContact O-N 2.87Å; L1059-E1062 WeakPolarHBondContact O-CB 3.27Å; L1059-E1062 PolarHBondContact O-N 2.93Å; L1059-Q1063 WeakPolarHBondContact O-CG 3.21Å; L1059-Q1063 PolarHBondContact O-N 2.93Å
1060	K	73.3	Confident	67.5	Low	124 Å²	124	69.2 Å²	69.2	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.8	-173.6	179.8	177.4	-169.9	0	110.8	Q1056 E1062 Q1063 D1064	Q1056-K1060 WeakPolarHBondContact O-CB 3.48Å; Q1056-K1060 PolarHBondContact O-N 3.43Å; K1060-E1062 VanDerWaalsContact C-N 3.28Å; K1060-E1062 PolarHBondContact O-N 3.18Å; K1060-Q1063 WeakPolarHBondContact O-CB 3.46Å; K1060-Q1063 PolarHBondContact O-N 2.73Å; K1060-Q1063 VanDerWaalsContact O-N 3.09Å; K1060-D1064 VanDerWaalsContact CE-OD1 3.32Å; K1060-D1064 WeakPolarHBondContact CE-OD1 3.11Å; K1060-D1064 VanDerWaalsContact CE-OD2 3.25Å; K1060-D1064 WeakPolarHBondContact CE-OD2 3.13Å; K1060-D1064 WeakPolarHBondContact O-CB 3.46Å; K1060-D1064 VanDerWaalsContact O-CG 3.23Å; K1060-D1064 PolarHBondContact O-N 2.84Å
1061	L	63.3	Low	64.9	Low	105 Å²	105	73.7 Å²	73.7	55%	0.55	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-37.4	176.4	-173	66.9	0	0	0	112.2	K1057 M1065	K1057-L1061 WeakPolarHBondContact O-CB 3.15Å; K1057-L1061 PolarHBondContact O-N 3.44Å; L1061-M1065 HydrophobicContact CD1-CG 4.33Å; L1061-M1065 HydrophobicContact CD1-SD 4.36Å; L1061-M1065 HydrophobicContact CG-SD 4.33Å; L1061-M1065 VanDerWaalsContact O-CB 3.28Å; L1061-M1065 WeakPolarHBondContact O-CB 3.46Å; L1061-M1065 WeakPolarHBondContact O-CG 3.4Å; L1061-M1065 PolarHBondContact O-N 3.19Å
1062	E	63.3	Low	62.2	Low	20 Å²	20	79.9 Å²	79.9	9%	0.093	41%	0.412	C	S	.	.	H	α-helix	trans	-63.3	-45.3	171.9	-173.7	-130.8	151.6	0	0	112.3	P727 R787 Y1018 K1021 K1058 L1059 K1060 M1065 T1066	P727-E1062 HydrophobicContact CB-CG 4.47Å; P727-E1062 HydrophobicContact CG-CG 4.12Å; P727-E1062 WeakPolarHBondContact CG-OE1 3.06Å; R787-E1062 IonicContact CZ-OE1 2.88Å; R787-E1062 IonicContact NH2-OE1 3.62Å; R787-E1062 PolarHBondContact NH2-OE1 3.02Å; Y1018-E1062 HydrophobicContact CE1-CG 4.49Å; Y1018-E1062 WeakPolarHBondContact CE1-OE2 3.44Å; Y1018-E1062 VanDerWaalsContact OH-CB 3.31Å; Y1018-E1062 WeakPolarHBondContact OH-CB 3.22Å; Y1018-E1062 WeakPolarHBondContact OH-CG 3.35Å; Y1018-E1062 PolarHBondContact OH-OE2 3.49Å; K1021-E1062 IonicContact NZ-OE2 3.91Å; K1058-E1062 PolarHBondContact O-N 2.89Å; K1058-E1062 VanDerWaalsContact O-N 3.1Å; L1059-E1062 WeakPolarHBondContact O-CB 3.27Å; L1059-E1062 PolarHBondContact O-N 2.93Å; K1060-E1062 VanDerWaalsContact C-N 3.28Å; K1060-E1062 PolarHBondContact O-N 3.18Å; E1062-M1065 PolarHBondContact O-N 2.97Å; E1062-T1066 WeakPolarHBondContact O-CB 3.3Å; E1062-T1066 PolarHBondContact O-N 3.32Å; E1062-T1066 PolarHBondContact O-OG1 3.33Å
1063	Q	64.9	Low	59.8	Low	113 Å²	113	89.1 Å²	89.1	53%	0.528	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-53.3	177.9	-72.9	174.2	-40.9	0	0	110.5	L1059 K1060 M1065 T1066 A1067	L1059-Q1063 WeakPolarHBondContact O-CG 3.21Å; L1059-Q1063 PolarHBondContact O-N 2.93Å; K1060-Q1063 WeakPolarHBondContact O-CB 3.46Å; K1060-Q1063 PolarHBondContact O-N 2.73Å; K1060-Q1063 VanDerWaalsContact O-N 3.09Å; Q1063-M1065 VanDerWaalsContact C-N 3.3Å; Q1063-M1065 PolarHBondContact O-N 3.19Å; Q1063-T1066 CarbonylContact O-C 3.59Å; Q1063-T1066 PolarHBondContact O-N 2.94Å; Q1063-A1067 VanDerWaalsContact O-CB 3.25Å; Q1063-A1067 WeakPolarHBondContact O-CB 3.35Å; Q1063-A1067 PolarHBondContact O-N 2.79Å
1064	D	56.1	Low	57.1	Low	79 Å²	79	88.3 Å²	88.3	42%	0.422	47%	0.467	S	S	.	.	H	α-helix	trans	-56	-43.7	177.6	-62.6	-12.5	0	0	0	110.6	K1060 T1066 A1067 A1068	K1060-D1064 VanDerWaalsContact CE-OD1 3.32Å; K1060-D1064 WeakPolarHBondContact CE-OD1 3.11Å; K1060-D1064 VanDerWaalsContact CE-OD2 3.25Å; K1060-D1064 WeakPolarHBondContact CE-OD2 3.13Å; K1060-D1064 WeakPolarHBondContact O-CB 3.46Å; K1060-D1064 VanDerWaalsContact O-CG 3.23Å; K1060-D1064 PolarHBondContact O-N 2.84Å; D1064-T1066 VanDerWaalsContact C-N 3.29Å; D1064-T1066 PolarHBondContact O-N 3.19Å; D1064-A1067 PolarHBondContact O-N 2.65Å; D1064-A1068 VanDerWaalsContact O-CB 3.23Å; D1064-A1068 WeakPolarHBondContact O-CB 3.33Å; D1064-A1068 PolarHBondContact O-N 2.63Å
1065	M	49.3	Very low	54.5	Low	41 Å²	41	88.4 Å²	88.4	20%	0.202	48%	0.475	C	S	.	.	H	α-helix	trans	-77.3	-4.4	178.2	-66.7	-167	83.6	0	0	115.7	N730 K778 L1061 E1062 Q1063	N730-M1065 HydrophobicContact CB-CE 3.48Å; N730-M1065 VanDerWaalsContact CB-CE 3.48Å; N730-M1065 HydrophobicContact CB-SD 3.68Å; N730-M1065 VanDerWaalsContact CG-CE 3.49Å; N730-M1065 VanDerWaalsContact ND2-CB 3.34Å; N730-M1065 WeakPolarHBondContact ND2-CB 3.31Å; N730-M1065 PolarHBondContact ND2-SD 2.85Å; K778-M1065 PolarHBondContact NZ-O 3.36Å; L1061-M1065 HydrophobicContact CD1-CG 4.33Å; L1061-M1065 HydrophobicContact CD1-SD 4.36Å; L1061-M1065 HydrophobicContact CG-SD 4.33Å; L1061-M1065 VanDerWaalsContact O-CB 3.28Å; L1061-M1065 WeakPolarHBondContact O-CB 3.46Å; L1061-M1065 WeakPolarHBondContact O-CG 3.4Å; L1061-M1065 PolarHBondContact O-N 3.19Å; E1062-M1065 PolarHBondContact O-N 2.97Å; Q1063-M1065 VanDerWaalsContact C-N 3.3Å; Q1063-M1065 PolarHBondContact O-N 3.19Å
1066	T	52.6	Low	52.3	Low	52 Å²	52	91.1 Å²	91.1	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-107.1	-29.1	172.6	-53.7	0	0	0	0	111.6	R787 E1062 Q1063 D1064	R787-T1066 PolarHBondContact NH1-OG1 3.33Å; E1062-T1066 WeakPolarHBondContact O-CB 3.3Å; E1062-T1066 PolarHBondContact O-N 3.32Å; E1062-T1066 PolarHBondContact O-OG1 3.33Å; Q1063-T1066 CarbonylContact O-C 3.59Å; Q1063-T1066 PolarHBondContact O-N 2.94Å; D1064-T1066 VanDerWaalsContact C-N 3.29Å; D1064-T1066 PolarHBondContact O-N 3.19Å
1067	A	45.2	Very low	49.9	Very low	38 Å²	38	89.9 Å²	89.9	31%	0.314	49%	0.487	S	S	.	.	H	α-helix	trans	-92.1	-19.4	-179.8	0	0	0	0	0	113.3	Q1063 D1064 D1069 Q1070	Q1063-A1067 VanDerWaalsContact O-CB 3.25Å; Q1063-A1067 WeakPolarHBondContact O-CB 3.35Å; Q1063-A1067 PolarHBondContact O-N 2.79Å; D1064-A1067 PolarHBondContact O-N 2.65Å; A1067-D1069 PolarHBondContact O-N 3.48Å; A1067-D1069 VanDerWaalsContact O-N 3.1Å; A1067-Q1070 WeakPolarHBondContact O-CA 3.26Å; A1067-Q1070 VanDerWaalsContact O-CB 3.29Å; A1067-Q1070 WeakPolarHBondContact O-CB 3.22Å; A1067-Q1070 PolarHBondContact O-N 2.78Å
1068	A	38.2	Very low	48.1	Very low	59 Å²	59	90.9 Å²	90.9	49%	0.488	49%	0.494	S	S	.	.	H	α-helix	trans	-59.1	-18.7	170.2	0	0	0	0	0	113.4	D1064 Q1070	D1064-A1068 VanDerWaalsContact O-CB 3.23Å; D1064-A1068 WeakPolarHBondContact O-CB 3.33Å; D1064-A1068 PolarHBondContact O-N 2.63Å; A1068-Q1070 PolarHBondContact O-N 2.6Å
1069	D	44.5	Very low	46.5	Very low	72 Å²	72	90.6 Å²	90.6	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-70.2	-2.2	169	-73.5	13.6	0	0	0	112.8	A1067 I1076	A1067-D1069 PolarHBondContact O-N 3.48Å; A1067-D1069 VanDerWaalsContact O-N 3.1Å; D1069-I1076 VanDerWaalsContact O-CG1 3.28Å; D1069-I1076 WeakPolarHBondContact O-CG1 3.29Å
1070	Q	39.2	Very low	44.6	Very low	130 Å²	130	93.6 Å²	93.6	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-112.1	-32.4	-178.7	-58.4	-173.7	-9.7	0	0	114.7	A1067 A1068 I1076	A1067-Q1070 WeakPolarHBondContact O-CA 3.26Å; A1067-Q1070 VanDerWaalsContact O-CB 3.29Å; A1067-Q1070 WeakPolarHBondContact O-CB 3.22Å; A1067-Q1070 PolarHBondContact O-N 2.78Å; A1068-Q1070 PolarHBondContact O-N 2.6Å; Q1070-I1076 HydrophobicContact CG-CD1 3.88Å
1071	D	31.9	Very low	42.9	Very low	156 Å²	156	90.3 Å²	90.3	83%	0.834	51%	0.508	S	S	*	.	H	α-helix	trans	-104.2	-4.7	-167.7	-81.2	-29.1	0	0	0	115.5
1072	D	32.5	Very low	41.7	Very low	133 Å²	133	87.5 Å²	87.5	71%	0.711	50%	0.497	S	S	*	.	S	Bend	trans	-100.4	152.7	173.5	-146.3	-14.3	0	0	0	110.6	G1074	D1072-G1074 VanDerWaalsContact C-N 3.29Å; D1072-G1074 PolarHBondContact O-N 3.33Å
1073	E	37.2	Very low	40.4	Very low	209 Å²	209	90 Å²	90	98%	0.977	51%	0.51	S	S	*	.	S	Bend	trans	-69	78.1	-170.6	-80.7	-165.5	126	0	0	113.4
1074	G	30.6	Very low	39.2	Very low	62 Å²	62	86.7 Å²	86.7	64%	0.639	50%	0.496	S	S	*	.	S	Bend	trans	-177.6	49.3	-174.5	0	0	0	0	0	110.7	D1072 I1076	D1072-G1074 VanDerWaalsContact C-N 3.29Å; D1072-G1074 PolarHBondContact O-N 3.33Å; G1074-I1076 PolarHBondContact O-N 3.45Å
1075	S	26.6	Very low	38.3	Very low	92 Å²	92	88.1 Å²	88.1	64%	0.643	50%	0.498	S	S	*	.			trans	-32.9	130.8	-176.4	57.2	0	0	0	0	112.6	P1077	S1075-P1077 WeakPolarHBondContact O-CD 3.49Å; S1075-P1077 VanDerWaalsContact O-N 3.08Å
1076	I	35.3	Very low	37.5	Very low	67 Å²	67	89.8 Å²	89.8	34%	0.344	52%	0.519	S	S	.	.			trans	-41.1	125.1	153.7	-58	175.3	0	0	0	106	D1069 Q1070 G1074 E1078	D1069-I1076 VanDerWaalsContact O-CG1 3.28Å; D1069-I1076 WeakPolarHBondContact O-CG1 3.29Å; Q1070-I1076 HydrophobicContact CG-CD1 3.88Å; G1074-I1076 PolarHBondContact O-N 3.45Å; I1076-E1078 PolarHBondContact O-N 2.84Å
1077	P	36.7	Very low	36.5	Very low	69 Å²	69	90.4 Å²	90.4	45%	0.448	53%	0.525	S	S	.	.			trans	-61.6	96.5	170.2	-21.7	33.6	0	0	0	106.1	S1075 D1079 M1080	S1075-P1077 WeakPolarHBondContact O-CD 3.49Å; S1075-P1077 VanDerWaalsContact O-N 3.08Å; P1077-D1079 HydrophobicContact CB-CB 3.87Å; P1077-D1079 PolarHBondContact O-N 2.84Å; P1077-D1079 VanDerWaalsContact O-N 3.1Å; P1077-M1080 PolarHBondContact O-N 3.13Å
1078	E	37.3	Very low	36.1	Very low	157 Å²	157	92.5 Å²	92.5	73%	0.734	53%	0.531	S	S	*	.	H	α-helix	trans	-49.7	-39.5	177	-73.5	-168	95.7	0	0	107.3	I1076 M1080 A1081 S1082	I1076-E1078 PolarHBondContact O-N 2.84Å; E1078-M1080 VanDerWaalsContact C-N 3.31Å; E1078-M1080 PolarHBondContact O-N 2.7Å; E1078-A1081 CarbonylContact O-C 3.56Å; E1078-A1081 PolarHBondContact O-N 2.86Å; E1078-S1082 VanDerWaalsContact O-CB 3.25Å; E1078-S1082 WeakPolarHBondContact O-CB 3.38Å; E1078-S1082 PolarHBondContact O-N 3.36Å; E1078-S1082 PolarHBondContact O-OG 3.38Å
1079	D	41.6	Very low	35.6	Very low	93 Å²	93	93 Å²	93	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-14.4	-62.9	156.3	-74	-19.2	0	0	0	115.3	P1077 A1081 S1082 L1083	P1077-D1079 HydrophobicContact CB-CB 3.87Å; P1077-D1079 PolarHBondContact O-N 2.84Å; P1077-D1079 VanDerWaalsContact O-N 3.1Å; D1079-A1081 VanDerWaalsContact C-N 3.27Å; D1079-A1081 PolarHBondContact O-N 3.04Å; D1079-S1082 WeakPolarHBondContact CA-OG 3.13Å; D1079-S1082 PolarHBondContact N-OG 3.09Å; D1079-S1082 VanDerWaalsContact N-OG 3.09Å; D1079-S1082 PolarHBondContact O-N 3.2Å; D1079-L1083 HydrophobicContact CB-CD1 3.84Å; D1079-L1083 HydrophobicContact CB-CG 4.21Å; D1079-L1083 VanDerWaalsContact O-CA 3.31Å; D1079-L1083 WeakPolarHBondContact O-CA 3.35Å; D1079-L1083 WeakPolarHBondContact O-CB 3.06Å; D1079-L1083 WeakPolarHBondContact O-CG 3.41Å; D1079-L1083 PolarHBondContact O-N 2.97Å
1080	M	37.3	Very low	35.2	Very low	94 Å²	94	97.4 Å²	97.4	46%	0.463	56%	0.564	S	S	.	*	H	α-helix	trans	-66.9	-31.4	-172	-157.6	173.5	77.3	0	0	112.4	P1077 E1078 L1084	P1077-M1080 PolarHBondContact O-N 3.13Å; E1078-M1080 VanDerWaalsContact C-N 3.31Å; E1078-M1080 PolarHBondContact O-N 2.7Å; M1080-L1084 WeakPolarHBondContact O-CB 3.44Å; M1080-L1084 WeakPolarHBondContact O-CD1 3.33Å; M1080-L1084 WeakPolarHBondContact O-CG 3.5Å
1081	A	36.5	Very low	35	Very low	56 Å²	56	95.8 Å²	95.8	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-94.4	-21.1	175.2	0	0	0	0	0	113.8	E1078 D1079 K1085	E1078-A1081 CarbonylContact O-C 3.56Å; E1078-A1081 PolarHBondContact O-N 2.86Å; D1079-A1081 VanDerWaalsContact C-N 3.27Å; D1079-A1081 PolarHBondContact O-N 3.04Å; A1081-K1085 WeakPolarHBondContact O-CD 3.49Å; A1081-K1085 VanDerWaalsContact O-CG 3.3Å; A1081-K1085 WeakPolarHBondContact O-CG 3.26Å; A1081-K1085 PolarHBondContact O-N 3.45Å
1082	S	38.5	Very low	35.1	Very low	46 Å²	46	92.6 Å²	92.6	32%	0.322	55%	0.548	S	S	.	.	H	α-helix	trans	-96.6	-37.7	-176.8	81.1	0	0	0	0	111.7	E1078 D1079 L1084 K1085 A1086	E1078-S1082 VanDerWaalsContact O-CB 3.25Å; E1078-S1082 WeakPolarHBondContact O-CB 3.38Å; E1078-S1082 PolarHBondContact O-N 3.36Å; E1078-S1082 PolarHBondContact O-OG 3.38Å; D1079-S1082 WeakPolarHBondContact CA-OG 3.13Å; D1079-S1082 PolarHBondContact N-OG 3.09Å; D1079-S1082 VanDerWaalsContact N-OG 3.09Å; D1079-S1082 PolarHBondContact O-N 3.2Å; S1082-L1084 VanDerWaalsContact C-N 3.29Å; S1082-K1085 CarbonylContact O-C 3.5Å; S1082-K1085 PolarHBondContact O-N 2.85Å; S1082-K1085 VanDerWaalsContact O-N 3.15Å; S1082-A1086 VanDerWaalsContact O-CB 3.22Å; S1082-A1086 WeakPolarHBondContact O-CB 3.32Å; S1082-A1086 PolarHBondContact O-N 3.19Å
1083	L	36.8	Very low	35.3	Very low	71 Å²	71	90.3 Å²	90.3	37%	0.372	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-38.5	161.5	-62	166.3	0	0	0	109.8	M546 D1079 K1085 A1086 S1087	M546-L1083 HydrophobicContact CE-CB 3.47Å; M546-L1083 VanDerWaalsContact CE-CB 3.47Å; D1079-L1083 HydrophobicContact CB-CD1 3.84Å; D1079-L1083 HydrophobicContact CB-CG 4.21Å; D1079-L1083 VanDerWaalsContact O-CA 3.31Å; D1079-L1083 WeakPolarHBondContact O-CA 3.35Å; D1079-L1083 WeakPolarHBondContact O-CB 3.06Å; D1079-L1083 WeakPolarHBondContact O-CG 3.41Å; D1079-L1083 PolarHBondContact O-N 2.97Å; L1083-K1085 PolarHBondContact O-N 2.9Å; L1083-A1086 PolarHBondContact O-N 3.02Å; L1083-S1087 WeakPolarHBondContact O-CB 3.34Å; L1083-S1087 PolarHBondContact O-N 3.4Å; L1083-S1087 PolarHBondContact O-OG 3.25Å
1084	L	38.6	Very low	35.2	Very low	44 Å²	44	83.4 Å²	83.4	23%	0.23	51%	0.513	C	S	.	.	H	α-helix	trans	-62.6	-30.6	173.1	-87.6	177.2	0	0	0	112.6	M546 I571 M1080 S1082 L1088	M546-L1084 HydrophobicContact CE-CB 4.32Å; M546-L1084 HydrophobicContact CE-CD2 3.91Å; M546-L1084 HydrophobicContact CE-CG 3.73Å; M546-L1084 HydrophobicContact CG-CD2 4.42Å; M546-L1084 HydrophobicContact SD-CD2 3.83Å; M546-L1084 HydrophobicContact SD-CG 4.02Å; I571-L1084 HydrophobicContact CG2-CD1 3.82Å; I571-L1084 HydrophobicContact CG2-CD2 4.33Å; M1080-L1084 WeakPolarHBondContact O-CB 3.44Å; M1080-L1084 WeakPolarHBondContact O-CD1 3.33Å; M1080-L1084 WeakPolarHBondContact O-CG 3.5Å; S1082-L1084 VanDerWaalsContact C-N 3.29Å; L1084-L1088 WeakPolarHBondContact O-CB 3.22Å; L1084-L1088 VanDerWaalsContact O-CD1 3.25Å; L1084-L1088 WeakPolarHBondContact O-CD1 3.33Å; L1084-L1088 WeakPolarHBondContact O-CG 3.4Å
1085	K	38.4	Very low	35.4	Very low	109 Å²	109	84.7 Å²	84.7	47%	0.474	51%	0.505	S	S	.	.	H	α-helix	trans	-79.8	-49.4	173.7	-74.3	164.4	-172.9	163.5	0	111.8	A1081 S1082 L1083 L1088 G1089 L1090	A1081-K1085 WeakPolarHBondContact O-CD 3.49Å; A1081-K1085 VanDerWaalsContact O-CG 3.3Å; A1081-K1085 WeakPolarHBondContact O-CG 3.26Å; A1081-K1085 PolarHBondContact O-N 3.45Å; S1082-K1085 CarbonylContact O-C 3.5Å; S1082-K1085 PolarHBondContact O-N 2.85Å; S1082-K1085 VanDerWaalsContact O-N 3.15Å; L1083-K1085 PolarHBondContact O-N 2.9Å; K1085-L1088 CarbonylContact O-C 3.58Å; K1085-L1088 PolarHBondContact O-N 2.92Å; K1085-L1088 VanDerWaalsContact O-N 3.15Å; K1085-G1089 PolarHBondContact O-N 2.79Å; K1085-L1090 PolarHBondContact O-N 3.21Å
1086	A	32.5	Very low	36	Very low	77 Å²	77	84.2 Å²	84.2	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-39.2	-177.4	0	0	0	0	0	113.6	S1082 L1083 L1088 G1089	S1082-A1086 VanDerWaalsContact O-CB 3.22Å; S1082-A1086 WeakPolarHBondContact O-CB 3.32Å; S1082-A1086 PolarHBondContact O-N 3.19Å; L1083-A1086 PolarHBondContact O-N 3.02Å; A1086-L1088 VanDerWaalsContact C-N 3.25Å; A1086-L1088 PolarHBondContact O-N 3.23Å; A1086-G1089 PolarHBondContact O-N 2.78Å
1087	S	31.8	Very low	36.1	Very low	64 Å²	64	85.4 Å²	85.4	45%	0.448	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.1	174.1	65.5	0	0	0	0	113.6	L1083	L1083-S1087 WeakPolarHBondContact O-CB 3.34Å; L1083-S1087 PolarHBondContact O-N 3.4Å; L1083-S1087 PolarHBondContact O-OG 3.25Å
1088	L	35.5	Very low	36	Very low	82 Å²	82	86.7 Å²	86.7	43%	0.429	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-4.8	174.3	-63.5	-179.3	0	0	0	113.6	I571 L1084 K1085 A1086	I571-L1088 HydrophobicContact CD1-CD1 3.86Å; I571-L1088 HydrophobicContact CG1-CD1 3.9Å; L1084-L1088 WeakPolarHBondContact O-CB 3.22Å; L1084-L1088 VanDerWaalsContact O-CD1 3.25Å; L1084-L1088 WeakPolarHBondContact O-CD1 3.33Å; L1084-L1088 WeakPolarHBondContact O-CG 3.4Å; K1085-L1088 CarbonylContact O-C 3.58Å; K1085-L1088 PolarHBondContact O-N 2.92Å; K1085-L1088 VanDerWaalsContact O-N 3.15Å; A1086-L1088 VanDerWaalsContact C-N 3.25Å; A1086-L1088 PolarHBondContact O-N 3.23Å
1089	G	29.3	Very low	35.9	Very low	69 Å²	69	80.8 Å²	80.8	71%	0.711	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	37.6	178	0	0	0	0	0	115.1	K1085 A1086	K1085-G1089 PolarHBondContact O-N 2.79Å; A1086-G1089 PolarHBondContact O-N 2.78Å
1090	L	34.4	Very low	35.4	Very low	165 Å²	165	79.7 Å²	79.7	86%	0.864	49%	0.492	S	S	*	.			trans	-117.6	0	-177.8	-71.7	173	0	0	0	114	P567 K1085	P567-L1090 HydrophobicContact CB-CD1 4.36Å; K1085-L1090 PolarHBondContact O-N 3.21Å

Retrieved 1,090 of 1,090 residues in 1070.5 ms (Link to these results)

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