A0A5K4FC26_SCHMA Loading...

G_PROTEIN_RECEP_F2_4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 981 aa.

						>A0A5K4FC26_SCHMA|A0A5K4FC26
MLRNRVCLAAIGVIPLILITFFLVFDVCGEHCHNDVFLEAKLGKPSYARWVNTSITLICSGKGYTSVMWYSVRKVYKMAIGCLKNEHRQLQLDWFPNVPEIIATYVSYEKRIRQVCIFSLSNGILSSGVSVEELNDQSVDMMLTTTVYFLPNSIITNGEVRNGTCHSQLGNGTFYNGEKNIYKNNEFYKITDKVVPTHMGKHECFAKINGTYYVVSVIFSNISDWVYPDSVSYRFMGEQMCGSDMCIQAANQGYMLCDAGIHDCYVVNNSYQCKKGVPLIDSCEYLAKDFNWSCPHVSRNSPEIADYGRSLHSISYNAKTLYRINPDYILNFTSKFTDDEIRQQLARNSVSERRSVASQLLDSMRFALDMSPTMVTSGYNWSTNFTANSEFLSTSTSKKLKTVSVFLHLIAEIARQTPSVIDLLRSGKETEKSLRFWHLSSDTANITMNSSQGKVIKFSIKPKQSEMHDTFIAVIPAANFPGVLTQLDNIKKVTTPSLDSDVVLVDTNNGLSFTLSVDLSQKPNITVSCEQLKQDPKFKELWNDGNCKTIVVGSNFECQCLPAQGGTFAIALVYWLGSSHIPLTHVYSISIVNYIFIFVTIVALFLFLIFTRFIGVFRLDQFNIAFCLMVSAIVSLAIPHTTDRQPILCSIIAVAVCYFPLAAFSWKFIFGLNTLILIIAPHSRYHDLVSKPKNCLPLVWIGYLSPAIIIGTWFGYTGEVSNSGLCIGPKTLRWSFVGPITTVVTFNFVILFVVGLVLLRNYLVTRKSKLNKTTHFLVLTQLMLTLGIPYIAIYIQLLDAFTMLIVVPVAMALTAVLMFLLVAVFDEENRHLLRSFIYTHIARSSEHSSGKMALRNQCRSEIESTFKKSPLHHIERDHFSSNYLSTHVLCNPDNEKRVYQHDNTIRRKTQEYSSSIASPETGNSVVLYDSRQLNGELFNDISCTEEDHTVSNLKNDGDVNLGFPNNQIHALPSFNGLVTRM
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	27.7	Very low	248 Å²	248	155.2 Å²	155.2	100%	1.222	82%	0.823	S	S	*	*				0	98	0	-73.4	179.1	171.2	0	0	109.3
2	L	30.3	Very low	27.6	Very low	164 Å²	164	147.7 Å²	147.7	86%	0.859	81%	0.81	S	S	*	*			trans	-86.3	104.5	166.2	-86.4	137.6	0	0	0	107.6	N4	L2-N4 PolarHBondContact O-N 3.36Å
3	R	27.4	Very low	28	Very low	218 Å²	218	146.5 Å²	146.5	82%	0.823	81%	0.81	S	S	*	*			trans	-79.6	71.5	175.5	-166.7	179.9	-172.4	-178.1	4.5	109.2	R5	R3-R5 PolarHBondContact O-N 2.97Å
4	N	27.9	Very low	28.1	Very low	128 Å²	128	147 Å²	147	68%	0.684	81%	0.808	S	S	*	*			trans	-59.5	105.4	169.7	-76.1	-3	0	0	0	108.4	L2 V6	L2-N4 PolarHBondContact O-N 3.36Å; N4-V6 VanDerWaalsContact C-N 3.26Å; N4-V6 HydrophobicContact CB-CG2 4.49Å; N4-V6 PolarHBondContact O-N 3.33Å
5	R	28	Very low	29.3	Very low	211 Å²	211	144.6 Å²	144.6	80%	0.796	80%	0.802	S	S	*	*			trans	-73.1	88.9	164.4	-79.7	-171.4	173.6	-170.8	-0.8	107.7	R3 C7	R3-R5 PolarHBondContact O-N 2.97Å; R5-C7 PolarHBondContact O-N 3.34Å
6	V	25.8	Very low	29.4	Very low	108 Å²	108	145.3 Å²	145.3	66%	0.655	80%	0.803	S	S	*	*			trans	-70.4	101.9	165.1	-179.9	0	0	0	0	107.1	N4 L8	N4-V6 VanDerWaalsContact C-N 3.26Å; N4-V6 HydrophobicContact CB-CG2 4.49Å; N4-V6 PolarHBondContact O-N 3.33Å; V6-L8 HydrophobicContact CG1-CD1 4.05Å; V6-L8 HydrophobicContact CG1-CG 4.4Å; V6-L8 PolarHBondContact O-N 3.4Å
7	C	28.1	Very low	29.7	Very low	122 Å²	122	145.9 Å²	145.9	82%	0.824	80%	0.803	S	S	*	*			trans	-78.9	105.7	162.7	-72.4	0	0	0	0	107.5	R5	R5-C7 PolarHBondContact O-N 3.34Å
8	L	27.6	Very low	29.9	Very low	154 Å²	154	145.8 Å²	145.8	81%	0.806	80%	0.8	S	S	*	*			trans	-66.3	133.7	175.2	-81	90.6	0	0	0	110.4	V6	V6-L8 HydrophobicContact CG1-CD1 4.05Å; V6-L8 HydrophobicContact CG1-CG 4.4Å; V6-L8 PolarHBondContact O-N 3.4Å
9	A	26.2	Very low	30.6	Very low	104 Å²	104	145.4 Å²	145.4	86%	0.86	80%	0.795	S	S	*	*			trans	-98.5	113	161.2	0	0	0	0	0	108.8
10	A	27.6	Very low	31.2	Very low	78 Å²	78	144.9 Å²	144.9	65%	0.645	80%	0.797	S	S	*	*			trans	-166	115	164.1	0	0	0	0	0	113.9
11	I	28.4	Very low	31.2	Very low	172 Å²	172	147 Å²	147	88%	0.882	80%	0.798	S	S	*	*			trans	67.4	104.7	133.8	-51.1	165.4	0	0	0	119.7
12	G	25.7	Very low	31.4	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	78%	0.782	S	S	*	*				100.5	145.7	112.6	0	0	0	0	0	121.5
13	V	32.8	Very low	31.4	Very low	133 Å²	133	143.9 Å²	143.9	81%	0.806	78%	0.778	S	S	*	*			trans	75.4	105	165.5	-162.4	0	0	0	0	115.2
14	I	29.7	Very low	31.6	Very low	153 Å²	153	140 Å²	140	79%	0.785	78%	0.778	S	S	*	*				78.1	131.7	57.4	-58.8	164.6	0	0	0	111.7
15	P	46.3	Very low	31.6	Very low	111 Å²	111	143.3 Å²	143.3	72%	0.721	79%	0.787	S	S	*	*				-125.3	-148.4	-81.4	37.5	-13.8	0	0	0	112.6
16	L	31.3	Very low	31.5	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	79%	0.789	S	S	*	*			trans	89	146	177	-75.7	99.1	0	0	0	118
17	I	33.9	Very low	31.7	Very low	157 Å²	157	141.1 Å²	141.1	81%	0.805	79%	0.791	S	S	*	*			trans	65.5	77	-177.8	-44	165.5	0	0	0	111.6
18	L	32.7	Very low	31.6	Very low	143 Å²	143	140.7 Å²	140.7	75%	0.749	79%	0.788	S	S	*	*				50.5	111.5	54.1	-103.3	168.8	0	0	0	113.9
19	I	44.9	Very low	31.7	Very low	138 Å²	138	136.2 Å²	136.2	71%	0.708	78%	0.78	S	S	*	*	S	Bend	trans	76.6	78.3	162	-41.5	171.5	0	0	0	116.8
20	T	41	Very low	32	Very low	135 Å²	135	139.1 Å²	139.1	83%	0.828	78%	0.775	S	S	*	*	S	Bend	trans	-167.4	-15.7	139.1	10.3	0	0	0	0	115.6
21	F	31.5	Very low	32.2	Very low	189 Å²	189	143.2 Å²	143.2	83%	0.829	78%	0.781	S	S	*	*			trans	-112.1	51.1	-179.2	-101.1	-90.5	0	0	0	114.1
22	F	31.8	Very low	32.7	Very low	198 Å²	198	140.5 Å²	140.5	87%	0.868	78%	0.776	S	S	*	*			trans	-101.6	47.8	167.9	-89.4	-70.5	0	0	0	112
23	L	30.8	Very low	33.4	Very low	150 Å²	150	144.5 Å²	144.5	79%	0.785	78%	0.777	S	S	*	*	S	Bend	trans	-129.6	139.4	160.1	-74.7	172.5	0	0	0	107.7
24	V	31.1	Very low	34.3	Very low	135 Å²	135	144 Å²	144	82%	0.818	77%	0.769	S	S	*	*	S	Bend	trans	73.2	51.9	-177.4	-154.9	0	0	0	0	115.5
25	F	27.9	Very low	35.8	Very low	199 Å²	199	139 Å²	139	87%	0.873	75%	0.745	S	S	*	*			trans	-139.8	65.2	142.9	-81.9	-70.8	0	0	0	109.2
26	D	26.1	Very low	37.2	Very low	157 Å²	157	135 Å²	135	84%	0.84	72%	0.717	S	S	*	*			trans	-83	121.8	151.6	-154.6	-15.2	0	0	0	106.9	C28	D26-C28 PolarHBondContact O-N 2.92Å
27	V	29.4	Very low	39.7	Very low	116 Å²	116	134.9 Å²	134.9	70%	0.703	71%	0.711	S	S	*	*			trans	-85.6	87	-169.9	179.6	0	0	0	0	107.4	G29	V27-G29 PolarHBondContact O-N 3.07Å
28	C	27.7	Very low	42.2	Very low	112 Å²	112	127.7 Å²	127.7	76%	0.757	67%	0.674	S	S	*	*			trans	-61.3	91.6	159.5	-84.4	0	0	0	0	108.5	D26 E30	D26-C28 PolarHBondContact O-N 2.92Å; C28-E30 PolarHBondContact O-N 3.17Å
29	G	28.9	Very low	44.8	Very low	61 Å²	61	124 Å²	124	63%	0.629	65%	0.653	S	S	*	*			trans	-69.2	50.2	163.9	0	0	0	0	0	111.5	V27 H31	V27-G29 PolarHBondContact O-N 3.07Å; G29-H31 PolarHBondContact O-N 3.14Å; G29-H31 VanDerWaalsContact O-N 3.14Å
30	E	31.8	Very low	46.7	Very low	165 Å²	165	117.4 Å²	117.4	77%	0.771	62%	0.619	S	S	*	*			trans	-62.4	115.9	162.4	-76.4	-167.2	147.1	0	0	107.1	C28 C32	C28-E30 PolarHBondContact O-N 3.17Å; E30-C32 PolarHBondContact O-N 3.41Å
31	H	32.4	Very low	48.5	Very low	163 Å²	163	115.8 Å²	115.8	76%	0.755	60%	0.6	S	S	*	*			trans	-54.2	115.5	167.7	-77.2	39.2	0	0	0	107.4	G29 H33	G29-H31 PolarHBondContact O-N 3.14Å; G29-H31 VanDerWaalsContact O-N 3.14Å; H31-H33 PolarHBondContact O-N 3.27Å
32	C	38.5	Very low	50.7	Low	115 Å²	115	112.7 Å²	112.7	78%	0.777	59%	0.592	S	S	*	*			trans	-64.3	89.1	167.5	-63.3	0	0	0	0	108	E30 N34	E30-C32 PolarHBondContact O-N 3.41Å; C32-N34 PolarHBondContact O-N 3.19Å; C32-N34 VanDerWaalsContact O-N 3.07Å
33	H	41.8	Very low	52.6	Low	150 Å²	150	106.9 Å²	106.9	69%	0.694	59%	0.588	S	S	*	*			trans	-58.1	113.8	167.7	-89.3	-87.2	0	0	0	107.5	H31 D35	H31-H33 PolarHBondContact O-N 3.27Å; H33-D35 PolarHBondContact O-N 3.5Å
34	N	51.5	Low	54.7	Low	122 Å²	122	107.7 Å²	107.7	65%	0.652	59%	0.585	S	S	*	*			trans	-75.4	48.5	176.5	-73.8	-37.6	0	0	0	111.2	C32 V36 T53	C32-N34 PolarHBondContact O-N 3.19Å; C32-N34 VanDerWaalsContact O-N 3.07Å; N34-V36 PolarHBondContact O-N 2.73Å; N34-T53 HydrophobicContact CB-CG2 4.33Å; N34-T53 WeakPolarHBondContact O-CB 3.39Å; N34-T53 PolarHBondContact O-OG1 2.92Å
35	D	60.8	Low	57	Low	49 Å²	49	104.8 Å²	104.8	26%	0.262	57%	0.569	S	S	.	*			trans	-70.7	109.5	174.5	-86.8	13.8	0	0	0	108.5	H33 F37 S54 Q91	H33-D35 PolarHBondContact O-N 3.5Å; D35-F37 PolarHBondContact O-N 3.19Å; D35-S54 WeakPolarHBondContact OD1-CB 3.29Å; D35-S54 PolarHBondContact OD1-OG 2.93Å; D35-Q91 PolarHBondContact OD2-NE2 3.48Å
36	V	75.4	Confident	59.6	Low	25 Å²	25	97 Å²	97	15%	0.152	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.2	175	175.1	0	0	0	0	107.5	N34 A48 V51 S54 I55 T56 L125	N34-V36 PolarHBondContact O-N 2.73Å; V36-A48 HydrophobicContact CG1-CB 3.98Å; V36-V51 HydrophobicContact CG2-CG2 3.89Å; V36-S54 PolarHBondContact N-O 3.44Å; V36-I55 VanDerWaalsContact O-CA 3.26Å; V36-I55 WeakPolarHBondContact O-CA 3.18Å; V36-I55 WeakPolarHBondContact O-CG1 3.12Å; V36-T56 PolarHBondContact O-N 3.34Å; V36-L125 HydrophobicContact CG1-CD1 4.48Å
37	F	82.9	Confident	62.4	Low	154 Å²	154	96.9 Å²	96.9	68%	0.675	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	136	172.9	57.8	-87.6	0	0	0	110.9	D35 T56	D35-F37 PolarHBondContact O-N 3.19Å; F37-T56 WeakPolarHBondContact CA-O 3.35Å
38	L	87	Confident	65	Low	5 Å²	5	92.1 Å²	92.1	3%	0.026	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110.9	173.3	-179.4	58.5	0	0	0	109.6	A48 T56 L57 I58 F118 L125	L38-A48 HydrophobicContact CB-CB 4.46Å; L38-A48 HydrophobicContact CD1-CB 4.11Å; L38-T56 PolarHBondContact N-O 3.41Å; L38-L57 HydrophobicContact CB-CD2 4.3Å; L38-I58 PolarHBondContact O-N 3.07Å; L38-F118 HydrophobicContact CD2-CD1 4.12Å; L38-F118 HydrophobicContact CG-CD1 4.26Å; L38-F118 HydrophobicContact CG-CE1 4.43Å; L38-L125 HydrophobicContact CD2-CB 3.54Å
39	E	86.8	Confident	67.5	Low	65 Å²	65	96.5 Å²	96.5	30%	0.304	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.6	-178.2	-167.6	-175.4	172.8	0	0	110.9	K41 S46 I58 S60	E39-K41 VanDerWaalsContact CD-NZ 3.33Å; E39-K41 HydrophobicContact CG-CG 4.31Å; E39-K41 PolarHBondContact O-N 3.01Å; E39-K41 WeakPolarHBondContact OE1-CE 3.36Å; E39-K41 IonicContact OE1-NZ 2.78Å; E39-K41 WeakPolarHBondContact OE2-CE 3.49Å; E39-K41 IonicContact OE2-NZ 2.73Å; E39-K41 PolarHBondContact OE2-NZ 3.3Å; E39-S46 WeakPolarHBondContact O-CB 3.29Å; E39-S46 PolarHBondContact O-OG 3.4Å; E39-I58 CarbonylContact C-O 3.57Å; E39-I58 WeakPolarHBondContact CA-O 3.29Å; E39-I58 HydrophobicContact CB-CB 4.26Å; E39-I58 HydrophobicContact CG-CB 4.07Å; E39-I58 HydrophobicContact CG-CG2 3.99Å; E39-S60 VanDerWaalsContact CG-OG 3.27Å; E39-S60 WeakPolarHBondContact CG-OG 3.44Å; E39-S60 PolarHBondContact OE1-OG 3.44Å
40	A	85	Confident	69.7	Low	0 Å²	0	96.1 Å²	96.1	0%	0	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114	175.6	0	0	0	0	0	110	I58 S60 C116 F118 S127 V129	A40-I58 PolarHBondContact N-O 3.35Å; A40-S60 PolarHBondContact O-N 3.3Å; A40-S60 PolarHBondContact O-OG 3.49Å; A40-C116 HydrophobicContact CB-CB 4.05Å; A40-F118 HydrophobicContact CB-CE1 3.79Å; A40-F118 HydrophobicContact CB-CZ 3.69Å; A40-S127 WeakPolarHBondContact CA-OG 3.36Å; A40-V129 VanDerWaalsContact C-CG2 3.46Å; A40-V129 HydrophobicContact CB-CG2 3.61Å
41	K	79.8	Confident	71.9	Confident	101 Å²	101	92.1 Å²	92.1	44%	0.439	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-114.1	146.3	-179.1	-69.8	-179.3	-178.8	167.7	0	111.5	E39	E39-K41 VanDerWaalsContact CD-NZ 3.33Å; E39-K41 HydrophobicContact CG-CG 4.31Å; E39-K41 PolarHBondContact O-N 3.01Å; E39-K41 WeakPolarHBondContact OE1-CE 3.36Å; E39-K41 IonicContact OE1-NZ 2.78Å; E39-K41 WeakPolarHBondContact OE2-CE 3.49Å; E39-K41 IonicContact OE2-NZ 2.73Å; E39-K41 PolarHBondContact OE2-NZ 3.3Å
42	L	77.5	Confident	74	Confident	125 Å²	125	90.5 Å²	90.5	65%	0.654	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	134.8	176.4	-159.7	71.5	0	0	0	110.5	V129 V131	L42-V129 HydrophobicContact CD1-CB 4.18Å; L42-V129 HydrophobicContact CD1-CG1 3.78Å; L42-V131 HydrophobicContact CD1-CG2 3.65Å
43	G	71.2	Confident	76	Confident	75 Å²	75	86.7 Å²	86.7	77%	0.773	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-14.1	171.3	0	0	0	0	0	117.4
44	K	74.9	Confident	77.8	Confident	168 Å²	168	81 Å²	81	73%	0.73	42%	0.415	S	S	*	.	B	Isolated β-bridge	trans	-146.8	132.9	171.6	-69.3	-173.6	179.4	176	0	111.6	S46	K44-S46 PolarHBondContact O-N 3.4Å
45	P	80.1	Confident	79.4	Confident	74 Å²	74	75.2 Å²	75.2	48%	0.481	38%	0.384	S	S	.	.			trans	-67.4	132.9	172.5	27.9	-32.9	0	0	0	110.7	Y47 S127	P45-Y47 HydrophobicContact CB-CE2 3.99Å; P45-Y47 HydrophobicContact CG-CE2 3.9Å; P45-S127 VanDerWaalsContact CA-O 3.25Å; P45-S127 WeakPolarHBondContact CA-O 3.45Å
46	S	82.9	Confident	80.7	Confident	34 Å²	34	73.7 Å²	73.7	24%	0.238	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147	170.5	-51.9	0	0	0	0	109.5	E39 K44 S126 S127	E39-S46 WeakPolarHBondContact O-CB 3.29Å; E39-S46 PolarHBondContact O-OG 3.4Å; K44-S46 PolarHBondContact O-N 3.4Å; S46-S126 WeakPolarHBondContact O-CA 3.34Å; S46-S127 WeakPolarHBondContact CB-OG 3.47Å; S46-S127 PolarHBondContact N-O 3.14Å; S46-S127 VanDerWaalsContact N-O 3.14Å; S46-S127 PolarHBondContact O-N 2.91Å
47	Y	84.7	Confident	81.4	Confident	155 Å²	155	72.5 Å²	72.5	61%	0.608	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.4	176.6	-59.7	-87.9	0	0	0	110.4	P45 I124 L125 S126	P45-Y47 HydrophobicContact CB-CE2 3.99Å; P45-Y47 HydrophobicContact CG-CE2 3.9Å; Y47-I124 HydrophobicContact CD1-CG2 4.04Å; Y47-L125 VanDerWaalsContact CA-O 3.3Å; Y47-L125 WeakPolarHBondContact CA-O 3.26Å; Y47-S126 VanDerWaalsContact CE1-CB 3.48Å
48	A	83.4	Confident	81.8	Confident	17 Å²	17	67 Å²	67	14%	0.14	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.2	171.5	0	0	0	0	0	109.7	V36 L38 L125	V36-A48 HydrophobicContact CG1-CB 3.98Å; L38-A48 HydrophobicContact CB-CB 4.46Å; L38-A48 HydrophobicContact CD1-CB 4.11Å; A48-L125 HydrophobicContact CB-CB 4.47Å; A48-L125 HydrophobicContact CB-CD1 4.34Å; A48-L125 PolarHBondContact N-O 2.86Å; A48-L125 PolarHBondContact O-N 3.11Å
49	R	79.3	Confident	81.8	Confident	203 Å²	203	66.8 Å²	66.8	77%	0.766	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.5	170.9	-175.9	176.8	-178.1	171.7	1.4	108.4
50	W	76.3	Confident	81.5	Confident	53 Å²	53	65.5 Å²	65.5	20%	0.201	34%	0.344	C	S	.	.			trans	-79.4	142.2	174.6	-168.9	49.8	0	0	0	110.6	N52 T53 W94 F95 L120 G123 L125	W50-N52 VanDerWaalsContact CH2-OD1 3.29Å; W50-N52 WeakPolarHBondContact CH2-OD1 3.1Å; W50-N52 WeakPolarHBondContact CZ3-OD1 3.48Å; W50-T53 PolarHBondContact NE1-O 3.27Å; W50-W94 HydrophobicContact CZ2-CB 3.99Å; W50-F95 HydrophobicContact CZ2-CB 4.44Å; W50-L120 HydrophobicContact CB-CD1 4.11Å; W50-L120 HydrophobicContact CE3-CD1 4.34Å; W50-L120 HydrophobicContact CE3-CD2 4Å; W50-L120 HydrophobicContact CZ3-CD2 4.26Å; W50-G123 PolarHBondContact N-O 3.22Å; W50-L125 HydrophobicContact CB-CD1 3.6Å; W50-L125 HydrophobicContact CB-CG 4.09Å; W50-L125 HydrophobicContact CG-CD1 4.07Å
51	V	78.1	Confident	80.9	Confident	82 Å²	82	66.1 Å²	66.1	50%	0.497	35%	0.35	S	S	.	.			trans	-134.1	33.9	-173.9	-77.4	0	0	0	0	112.4	V36 T53	V36-V51 HydrophobicContact CG2-CG2 3.89Å; V51-T53 HydrophobicContact CG2-CG2 4.23Å; V51-T53 PolarHBondContact O-N 3.21Å
52	N	75.1	Confident	80.4	Confident	129 Å²	129	68.7 Å²	68.7	69%	0.69	36%	0.361	S	S	*	.	S	Bend	trans	54.6	28.9	-177.4	-66.8	0.4	0	0	0	114.2	W50	W50-N52 VanDerWaalsContact CH2-OD1 3.29Å; W50-N52 WeakPolarHBondContact CH2-OD1 3.1Å; W50-N52 WeakPolarHBondContact CZ3-OD1 3.48Å
53	T	80.5	Confident	79.9	Confident	35 Å²	35	62.8 Å²	62.8	22%	0.215	33%	0.33	C	S	.	.	S	Bend	trans	-108.1	171.5	173.6	61.2	0	0	0	0	111.7	N34 W50 V51 D93	N34-T53 HydrophobicContact CB-CG2 4.33Å; N34-T53 WeakPolarHBondContact O-CB 3.39Å; N34-T53 PolarHBondContact O-OG1 2.92Å; W50-T53 PolarHBondContact NE1-O 3.27Å; V51-T53 HydrophobicContact CG2-CG2 4.23Å; V51-T53 PolarHBondContact O-N 3.21Å; T53-D93 CarbonylContact C-O 3.56Å
54	S	80.9	Confident	79.9	Confident	31 Å²	31	60.4 Å²	60.4	22%	0.217	30%	0.298	C	S	.	.			trans	-50.7	138	166.6	35.1	0	0	0	0	111.5	D35 V36 L92 D93	D35-S54 WeakPolarHBondContact OD1-CB 3.29Å; D35-S54 PolarHBondContact OD1-OG 2.93Å; V36-S54 PolarHBondContact N-O 3.44Å; S54-L92 CarbonylContact C-O 3.56Å; S54-L92 WeakPolarHBondContact CA-O 3.32Å; S54-D93 WeakPolarHBondContact CA-O 3.39Å; S54-D93 PolarHBondContact N-O 2.98Å
55	I	84.7	Confident	79.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.1	-175.7	177.8	156.8	0	0	0	111.4	V36 L57 Q91 L92 F95 L125	V36-I55 VanDerWaalsContact O-CA 3.26Å; V36-I55 WeakPolarHBondContact O-CA 3.18Å; V36-I55 WeakPolarHBondContact O-CG1 3.12Å; I55-L57 HydrophobicContact CD1-CD2 3.65Å; I55-L57 HydrophobicContact CG1-CD2 3.7Å; I55-L57 HydrophobicContact CG1-CG 4.28Å; I55-Q91 WeakPolarHBondContact O-CA 3.42Å; I55-L92 HydrophobicContact CG2-CB 4Å; I55-L92 PolarHBondContact N-O 2.94Å; I55-L92 PolarHBondContact O-N 3.23Å; I55-F95 HydrophobicContact CD1-CD2 4.36Å; I55-F95 HydrophobicContact CG2-CB 4.33Å; I55-L125 HydrophobicContact CD1-CD1 3.26Å; I55-L125 HydrophobicContact CD1-CD2 3.67Å; I55-L125 HydrophobicContact CD1-CG 4.06Å
56	T	88.2	Confident	78.1	Confident	16 Å²	16	50.5 Å²	50.5	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108	173.8	-61.5	0	0	0	0	109.3	V36 F37 L38 I58 Q89	V36-T56 PolarHBondContact O-N 3.34Å; F37-T56 WeakPolarHBondContact CA-O 3.35Å; L38-T56 PolarHBondContact N-O 3.41Å; T56-I58 HydrophobicContact CG2-CD1 4.31Å; T56-I58 HydrophobicContact CG2-CG1 3.94Å; T56-Q89 HydrophobicContact CG2-CB 4.08Å
57	L	90.5	Very high	77.4	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	174.9	-54.6	178.6	0	0	0	108.5	L38 I55 W69 Q89 L90 L92 F95 I101 F118	L38-L57 HydrophobicContact CB-CD2 4.3Å; I55-L57 HydrophobicContact CD1-CD2 3.65Å; I55-L57 HydrophobicContact CG1-CD2 3.7Å; I55-L57 HydrophobicContact CG1-CG 4.28Å; L57-W69 HydrophobicContact CB-CH2 3.99Å; L57-W69 HydrophobicContact CB-CZ3 3.66Å; L57-W69 HydrophobicContact CD1-CZ3 4.39Å; L57-W69 VanDerWaalsContact O-CH2 3.27Å; L57-W69 WeakPolarHBondContact O-CH2 3.21Å; L57-Q89 CarbonylContact O-C 3.52Å; L57-Q89 VanDerWaalsContact O-CA 3.27Å; L57-Q89 WeakPolarHBondContact O-CA 3.3Å; L57-L90 PolarHBondContact N-O 3.49Å; L57-L90 PolarHBondContact O-N 2.95Å; L57-L92 HydrophobicContact CD1-CD1 4.16Å; L57-F95 HydrophobicContact CD1-CD2 4.49Å; L57-F95 HydrophobicContact CD1-CE2 4.06Å; L57-F95 HydrophobicContact CD2-CE2 4.47Å; L57-I101 HydrophobicContact CD1-CB 4.26Å; L57-I101 HydrophobicContact CD1-CD1 3.91Å; L57-I101 HydrophobicContact CD1-CG2 4.23Å; L57-F118 HydrophobicContact CB-CD1 4.13Å; L57-F118 HydrophobicContact CB-CD2 4.38Å; L57-F118 HydrophobicContact CB-CE1 4.01Å; L57-F118 HydrophobicContact CB-CE2 4.28Å; L57-F118 HydrophobicContact CB-CG 4.31Å; L57-F118 HydrophobicContact CB-CZ 4.09Å; L57-F118 HydrophobicContact CD1-CB 4.07Å; L57-F118 HydrophobicContact CD1-CD1 4.49Å; L57-F118 HydrophobicContact CD1-CD2 4.28Å; L57-F118 HydrophobicContact CD1-CG 4.04Å; L57-F118 HydrophobicContact CD2-CB 4.27Å; L57-F118 HydrophobicContact CD2-CD1 3.75Å; L57-F118 HydrophobicContact CD2-CE1 4.31Å; L57-F118 HydrophobicContact CD2-CG 4.09Å; L57-F118 HydrophobicContact CG-CD1 4.34Å; L57-F118 HydrophobicContact CG-CG 4.38Å
58	I	90.2	Very high	76.4	Confident	40 Å²	40	44.1 Å²	44.1	21%	0.205	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.4	-176.7	-54	175.9	0	0	0	109.2	L38 E39 A40 T56 R88 Q89 F118	L38-I58 PolarHBondContact O-N 3.07Å; E39-I58 CarbonylContact C-O 3.57Å; E39-I58 WeakPolarHBondContact CA-O 3.29Å; E39-I58 HydrophobicContact CB-CB 4.26Å; E39-I58 HydrophobicContact CG-CB 4.07Å; E39-I58 HydrophobicContact CG-CG2 3.99Å; A40-I58 PolarHBondContact N-O 3.35Å; T56-I58 HydrophobicContact CG2-CD1 4.31Å; T56-I58 HydrophobicContact CG2-CG1 3.94Å; I58-R88 WeakPolarHBondContact CA-O 3.44Å; I58-Q89 HydrophobicContact CG1-CB 4.21Å; I58-F118 WeakPolarHBondContact O-CZ 3.36Å
59	C	87.7	Confident	76.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.3	173.4	-178.8	0	0	0	0	109.4	G61 W69 R88 A103 Y105 Q114 C116 F118	C59-G61 PolarHBondContact O-N 3.3Å; C59-W69 HydrophobicContact CB-CH2 4.18Å; C59-W69 HydrophobicContact CB-CZ2 4.17Å; C59-R88 PolarHBondContact N-O 3.41Å; C59-A103 HydrophobicContact CB-CB 4.28Å; C59-Y105 HydrophobicContact CB-CD2 4.27Å; C59-Y105 HydrophobicContact CB-CE2 3.41Å; C59-Y105 VanDerWaalsContact CB-CE2 3.41Å; C59-Y105 WeakPolarHBondContact SG-CD2 3.4Å; C59-Y105 WeakPolarHBondContact SG-CE2 3.48Å; C59-Q114 PolarHBondContact SG-NE2 3.32Å; C59-Q114 VanDerWaalsContact SG-NE2 3.36Å; C59-C116 HydrophobicContact CB-CB 3.67Å; C59-C116 WeakPolarHBondContact CB-SG 3.47Å; C59-C116 WeakPolarHBondContact SG-CB 3.26Å; C59-C116 CovalentContact SG-SG 2.03Å; C59-C116 PolarHBondContact SG-SG 2.97Å; C59-F118 HydrophobicContact CB-CZ 4.46Å
60	S	79.5	Confident	75.8	Confident	38 Å²	38	36.3 Å²	36.3	27%	0.266	19%	0.191	S	C	.	.			trans	-76	109.2	-176.4	-49.2	0	0	0	0	110.5	E39 A40 Q114	E39-S60 VanDerWaalsContact CG-OG 3.27Å; E39-S60 WeakPolarHBondContact CG-OG 3.44Å; E39-S60 PolarHBondContact OE1-OG 3.44Å; A40-S60 PolarHBondContact O-N 3.3Å; A40-S60 PolarHBondContact O-OG 3.49Å; S60-Q114 PolarHBondContact O-NE2 3.33Å
61	G	72.4	Confident	75.6	Confident	12 Å²	12	34.2 Å²	34.2	12%	0.124	18%	0.184	C	C	.	.			trans	-153.7	148.5	178.5	0	0	0	0	0	113.9	C59 R88	C59-G61 PolarHBondContact O-N 3.3Å; G61-R88 WeakPolarHBondContact O-CD 3.45Å
62	K	69.8	Low	74.9	Confident	155 Å²	155	34 Å²	34	67%	0.674	18%	0.183	S	C	*	.	S	Bend	trans	-138.2	141.4	172.3	-64.4	-173.5	179.1	-175.5	0	111.3	Y64 K110	K62-Y64 VanDerWaalsContact N-CE2 3.33Å; K62-Y64 WeakPolarHBondContact O-CE2 3.33Å; K62-K110 PolarHBondContact O-NZ 2.73Å
63	G	66.9	Low	73.7	Confident	1 Å²	1	36 Å²	36	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	91.4	22	-179.5	0	0	0	0	0	114.7	S107 E238	G63-S107 WeakPolarHBondContact O-CB 3.3Å; G63-S107 PolarHBondContact O-OG 3.18Å; G63-E238 WeakPolarHBondContact CA-OE1 3.26Å; G63-E238 WeakPolarHBondContact CA-OE2 3.46Å; G63-E238 PolarHBondContact N-OE1 2.9Å; G63-E238 PolarHBondContact N-OE2 3.23Å
64	Y	71.4	Confident	72.5	Confident	25 Å²	25	40 Å²	40	10%	0.098	20%	0.195	C	C	.	.			trans	-100.7	134.8	-175.4	-62	-79.5	0	0	0	111.5	K62 L83 Y105 I112 Q114	K62-Y64 VanDerWaalsContact N-CE2 3.33Å; K62-Y64 WeakPolarHBondContact O-CE2 3.33Å; Y64-L83 WeakPolarHBondContact O-CD1 3.41Å; Y64-L83 WeakPolarHBondContact O-CG 3.26Å; Y64-Y105 HydrophobicContact CD2-CD1 4.34Å; Y64-Y105 HydrophobicContact CG-CD1 4.23Å; Y64-Y105 HydrophobicContact CG-CG 4.36Å; Y64-I112 HydrophobicContact CE1-CD1 4.09Å; Y64-I112 HydrophobicContact CE1-CG1 4.11Å; Y64-Q114 HydrophobicContact CE1-CB 3.87Å; Y64-Q114 PolarHBondContact OH-OE1 3.4Å
65	T	57.7	Low	71.2	Confident	22 Å²	22	41.6 Å²	41.6	14%	0.135	20%	0.204	C	C	.	.	S	Bend	trans	-97.9	-12.1	-177.5	42.7	0	0	0	0	113	G81 V106 Y108	T65-G81 PolarHBondContact O-N 3.15Å; T65-V106 PolarHBondContact N-O 2.99Å; T65-V106 PolarHBondContact OG1-O 3.3Å; T65-Y108 WeakPolarHBondContact OG1-CD2 3.44Å; T65-Y108 PolarHBondContact OG1-N 3.41Å; T65-Y108 VanDerWaalsContact OG1-N 3.12Å
66	S	59.9	Low	70.1	Confident	13 Å²	13	44.3 Å²	44.3	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.5	168.6	67	0	0	0	0	112	A79 Y105 V106	S66-A79 CarbonylContact C-O 3.55Å; S66-A79 WeakPolarHBondContact CA-O 3.35Å; S66-Y105 CarbonylContact O-C 3.56Å; S66-Y105 VanDerWaalsContact O-CA 3.29Å; S66-Y105 WeakPolarHBondContact O-CA 3.37Å; S66-V106 PolarHBondContact N-O 2.96Å; S66-V106 PolarHBondContact O-N 3.07Å; S66-V106 WeakPolarHBondContact OG-CB 3.22Å
67	V	67.2	Low	68.8	Low	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.1	176.8	55.4	0	0	0	0	110.6	M78 A79 L83 H87 T104 Y105	V67-M78 CarbonylContact O-C 3.57Å; V67-M78 VanDerWaalsContact O-CA 3.32Å; V67-M78 WeakPolarHBondContact O-CA 3.27Å; V67-M78 VanDerWaalsContact O-CG 3.3Å; V67-M78 WeakPolarHBondContact O-CG 3.33Å; V67-A79 HydrophobicContact CG1-CB 3.86Å; V67-A79 PolarHBondContact N-O 3.17Å; V67-A79 PolarHBondContact O-N 2.76Å; V67-L83 HydrophobicContact CB-CD1 3.87Å; V67-L83 HydrophobicContact CG1-CD1 3.72Å; V67-L83 HydrophobicContact CG1-CD2 3.62Å; V67-L83 HydrophobicContact CG1-CG 4.3Å; V67-H87 HydrophobicContact CG1-CB 3.89Å; V67-T104 CarbonylContact C-O 3.56Å; V67-T104 VanDerWaalsContact CA-O 3.26Å; V67-T104 WeakPolarHBondContact CA-O 3.33Å; V67-Y105 HydrophobicContact CB-CD1 3.72Å; V67-Y105 HydrophobicContact CB-CE1 3.59Å; V67-Y105 HydrophobicContact CB-CG 4.3Å; V67-Y105 HydrophobicContact CG1-CE1 4.43Å; V67-Y105 HydrophobicContact CG2-CD1 3.8Å; V67-Y105 HydrophobicContact CG2-CD2 4.18Å; V67-Y105 HydrophobicContact CG2-CE1 3.29Å; V67-Y105 HydrophobicContact CG2-CE2 3.7Å; V67-Y105 HydrophobicContact CG2-CG 4.18Å; V67-Y105 WeakPolarHBondContact CG2-OH 3.43Å
68	M	64.8	Low	67	Low	53 Å²	53	48.2 Å²	48.2	26%	0.261	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.8	175.3	-171	-177.6	176.9	0	0	110.4	Y70 V75 M78 A103 T104	M68-Y70 HydrophobicContact CB-CD1 4.49Å; M68-Y70 HydrophobicContact CE-CD1 4.33Å; M68-Y70 HydrophobicContact CE-CG 4.42Å; M68-Y70 HydrophobicContact CG-CD1 3.96Å; M68-Y70 HydrophobicContact SD-CD1 4.19Å; M68-V75 HydrophobicContact CE-CB 4.4Å; M68-V75 HydrophobicContact CE-CG1 3.98Å; M68-V75 HydrophobicContact CE-CG2 3.48Å; M68-V75 VanDerWaalsContact CE-CG2 3.48Å; M68-V75 HydrophobicContact CG-CG1 4.28Å; M68-M78 HydrophobicContact CB-CE 4.36Å; M68-M78 HydrophobicContact CB-CG 4.08Å; M68-M78 HydrophobicContact CG-CB 4.49Å; M68-M78 HydrophobicContact CG-CE 4.36Å; M68-M78 HydrophobicContact CG-CG 4.06Å; M68-M78 HydrophobicContact CG-SD 4.17Å; M68-M78 HydrophobicContact SD-CE 4.17Å; M68-M78 HydrophobicContact SD-SD 4.33Å; M68-A103 CarbonylContact O-C 3.38Å; M68-A103 WeakPolarHBondContact O-CA 3.44Å; M68-T104 PolarHBondContact N-O 3.22Å; M68-T104 PolarHBondContact O-N 3.4Å
69	W	77	Confident	65.3	Low	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.5	172	-68	81.8	0	0	0	109.5	L57 C59 V75 Y76 K77 H87 L90 I101 I102 A103 Y105 F118	L57-W69 HydrophobicContact CB-CH2 3.99Å; L57-W69 HydrophobicContact CB-CZ3 3.66Å; L57-W69 HydrophobicContact CD1-CZ3 4.39Å; L57-W69 VanDerWaalsContact O-CH2 3.27Å; L57-W69 WeakPolarHBondContact O-CH2 3.21Å; C59-W69 HydrophobicContact CB-CH2 4.18Å; C59-W69 HydrophobicContact CB-CZ2 4.17Å; W69-V75 CarbonylContact O-C 3.5Å; W69-Y76 PolarHBondContact O-N 3.42Å; W69-K77 HydrophobicContact CB-CB 4.1Å; W69-K77 HydrophobicContact CG-CB 4.27Å; W69-K77 PolarHBondContact N-O 3.05Å; W69-K77 PolarHBondContact O-N 3.14Å; W69-H87 PolarHBondContact NE1-O 3.38Å; W69-L90 HydrophobicContact CB-CD2 4.2Å; W69-L90 HydrophobicContact CD2-CB 3.64Å; W69-L90 HydrophobicContact CD2-CD2 4.15Å; W69-L90 HydrophobicContact CD2-CG 4.44Å; W69-L90 HydrophobicContact CE3-CB 3.47Å; W69-L90 VanDerWaalsContact CE3-CB 3.47Å; W69-L90 HydrophobicContact CE3-CD2 3.64Å; W69-L90 HydrophobicContact CE3-CG 4.19Å; W69-L90 HydrophobicContact CG-CB 4.27Å; W69-L90 HydrophobicContact CG-CD2 4.41Å; W69-L90 HydrophobicContact CH2-CB 4.12Å; W69-L90 HydrophobicContact CZ2-CB 4.25Å; W69-L90 HydrophobicContact CZ3-CB 3.73Å; W69-L90 HydrophobicContact CZ3-CD2 4.38Å; W69-I101 HydrophobicContact CE3-CG2 4.17Å; W69-I102 CarbonylContact C-O 3.59Å; W69-I102 WeakPolarHBondContact CA-O 3.37Å; W69-A103 HydrophobicContact CD2-CB 3.53Å; W69-A103 HydrophobicContact CE3-CB 3.52Å; W69-A103 HydrophobicContact CG-CB 4.2Å; W69-A103 HydrophobicContact CH2-CB 3.79Å; W69-A103 HydrophobicContact CZ2-CB 3.8Å; W69-A103 HydrophobicContact CZ3-CB 3.66Å; W69-Y105 VanDerWaalsContact CZ2-OH 3.29Å; W69-Y105 WeakPolarHBondContact CZ2-OH 3.43Å; W69-Y105 PolarHBondContact NE1-OH 3.48Å; W69-F118 AromaticContact CH2-CE2 3.74Å; W69-F118 HydrophobicContact CH2-CE2 3.74Å; W69-F118 HydrophobicContact CH2-CZ 4.04Å; W69-F118 AromaticContact CZ3-CD2 4Å; W69-F118 HydrophobicContact CZ3-CD2 4Å; W69-F118 AromaticContact CZ3-CE2 3.48Å; W69-F118 HydrophobicContact CZ3-CE2 3.48Å; W69-F118 VanDerWaalsContact CZ3-CE2 3.48Å; W69-F118 HydrophobicContact CZ3-CZ 4.15Å
70	Y	73.6	Confident	63.4	Low	57 Å²	57	50.3 Å²	50.3	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.2	-177.5	66.1	-82.9	0	0	0	112.1	M68 K74 I101 I102	M68-Y70 HydrophobicContact CB-CD1 4.49Å; M68-Y70 HydrophobicContact CE-CD1 4.33Å; M68-Y70 HydrophobicContact CE-CG 4.42Å; M68-Y70 HydrophobicContact CG-CD1 3.96Å; M68-Y70 HydrophobicContact SD-CD1 4.19Å; Y70-K74 CarbonylContact C-O 3.56Å; Y70-K74 VanDerWaalsContact CA-O 3.29Å; Y70-K74 WeakPolarHBondContact CA-O 3.49Å; Y70-I101 CarbonylContact O-C 3.51Å; Y70-I101 WeakPolarHBondContact O-CA 3.34Å; Y70-I102 HydrophobicContact CD1-CB 4.44Å; Y70-I102 HydrophobicContact CE1-CB 4Å; Y70-I102 HydrophobicContact CE1-CG2 3.86Å; Y70-I102 HydrophobicContact CE2-CB 4.07Å; Y70-I102 HydrophobicContact CE2-CD1 3.95Å; Y70-I102 HydrophobicContact CE2-CG2 4.47Å; Y70-I102 PolarHBondContact N-O 2.91Å; Y70-I102 PolarHBondContact O-N 3.19Å
71	S	71.5	Confident	62.1	Low	9 Å²	9	49.8 Å²	49.8	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	177.5	163.5	63.3	0	0	0	0	108.9	R73 K74 Y76 E100	S71-R73 PolarHBondContact O-N 2.84Å; S71-R73 PolarHBondContact OG-N 3.24Å; S71-K74 PolarHBondContact N-O 3.29Å; S71-K74 PolarHBondContact O-N 3.11Å; S71-K74 PolarHBondContact OG-N 2.76Å; S71-Y76 WeakPolarHBondContact OG-CE2 3.48Å; S71-Y76 PolarHBondContact OG-OH 3.35Å; S71-E100 WeakPolarHBondContact CB-O 3.12Å
72	V	64.2	Low	61	Low	76 Å²	76	52.1 Å²	52.1	46%	0.461	26%	0.258	S	S	.	.	S	Bend	trans	-55.8	-9.7	168.9	-60.9	0	0	0	0	114.6	P99 L150	V72-P99 HydrophobicContact CG2-CG 4.09Å; V72-L150 WeakPolarHBondContact O-CD1 3.5Å
73	R	50.1	Low	60.3	Low	172 Å²	172	46.4 Å²	46.4	65%	0.649	24%	0.235	S	C	*	.	S	Bend	trans	-114.4	-26.9	178.9	-65.2	-169	-176.6	167.8	3.7	115.5	S71 N97 V98	S71-R73 PolarHBondContact O-N 2.84Å; S71-R73 PolarHBondContact OG-N 3.24Å; R73-N97 PolarHBondContact NH1-O 2.86Å; R73-V98 HydrophobicContact CB-CG1 4.13Å; R73-V98 HydrophobicContact CG-CG1 3.91Å
74	K	53.5	Low	59.9	Low	119 Å²	119	52.9 Å²	52.9	52%	0.517	26%	0.263	S	S	.	.			trans	-161.2	146	-168.4	178.5	169.9	179.5	-173.4	0	112.5	Y70 S71 Y76	Y70-K74 CarbonylContact C-O 3.56Å; Y70-K74 VanDerWaalsContact CA-O 3.29Å; Y70-K74 WeakPolarHBondContact CA-O 3.49Å; S71-K74 PolarHBondContact N-O 3.29Å; S71-K74 PolarHBondContact O-N 3.11Å; S71-K74 PolarHBondContact OG-N 2.76Å; K74-Y76 WeakPolarHBondContact O-CE2 3.31Å
75	V	54.2	Low	59.7	Low	65 Å²	65	57 Å²	57	39%	0.394	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.9	161.3	-172.6	0	0	0	0	108.8	M68 W69	M68-V75 HydrophobicContact CE-CB 4.4Å; M68-V75 HydrophobicContact CE-CG1 3.98Å; M68-V75 HydrophobicContact CE-CG2 3.48Å; M68-V75 VanDerWaalsContact CE-CG2 3.48Å; M68-V75 HydrophobicContact CG-CG1 4.28Å; W69-V75 CarbonylContact O-C 3.5Å
76	Y	62	Low	60.1	Low	56 Å²	56	60.3 Å²	60.3	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-38.6	-177.5	-60.3	-87.3	0	0	0	112.7	W69 S71 K74 L90 L92 P96 I101	W69-Y76 PolarHBondContact O-N 3.42Å; S71-Y76 WeakPolarHBondContact OG-CE2 3.48Å; S71-Y76 PolarHBondContact OG-OH 3.35Å; K74-Y76 WeakPolarHBondContact O-CE2 3.31Å; Y76-L90 HydrophobicContact CD2-CD2 4.27Å; Y76-L90 HydrophobicContact CG-CD2 3.98Å; Y76-L92 HydrophobicContact CD1-CD2 4.12Å; Y76-L92 HydrophobicContact CE1-CD2 4.49Å; Y76-P96 HydrophobicContact CE1-CG 4.12Å; Y76-P96 WeakPolarHBondContact OH-CG 3.23Å; Y76-I101 HydrophobicContact CD2-CG2 4.34Å; Y76-I101 HydrophobicContact CE2-CD1 4.24Å; Y76-I101 HydrophobicContact CE2-CG1 4.14Å; Y76-I101 HydrophobicContact CE2-CG2 4.34Å
77	K	61.6	Low	60.6	Low	62 Å²	62	61.6 Å²	61.6	27%	0.27	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	140.1	-176.3	-170.6	173.7	-170.8	169.4	0	109.6	W69 E86 Q89 L90	W69-K77 HydrophobicContact CB-CB 4.1Å; W69-K77 HydrophobicContact CG-CB 4.27Å; W69-K77 PolarHBondContact N-O 3.05Å; W69-K77 PolarHBondContact O-N 3.14Å; K77-E86 PolarHBondContact NZ-O 3.2Å; K77-Q89 PolarHBondContact NZ-O 3.2Å; K77-L90 HydrophobicContact CB-CD1 4.22Å
78	M	52.1	Low	61.2	Low	36 Å²	36	64.9 Å²	64.9	18%	0.177	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.2	173.6	-166.2	178.4	-173.8	0	0	109.8	V67 M68 I80 I218	V67-M78 CarbonylContact O-C 3.57Å; V67-M78 VanDerWaalsContact O-CA 3.32Å; V67-M78 WeakPolarHBondContact O-CA 3.27Å; V67-M78 VanDerWaalsContact O-CG 3.3Å; V67-M78 WeakPolarHBondContact O-CG 3.33Å; M68-M78 HydrophobicContact CB-CE 4.36Å; M68-M78 HydrophobicContact CB-CG 4.08Å; M68-M78 HydrophobicContact CG-CB 4.49Å; M68-M78 HydrophobicContact CG-CE 4.36Å; M68-M78 HydrophobicContact CG-CG 4.06Å; M68-M78 HydrophobicContact CG-SD 4.17Å; M68-M78 HydrophobicContact SD-CE 4.17Å; M68-M78 HydrophobicContact SD-SD 4.33Å; M78-I80 HydrophobicContact CE-CD1 4.01Å; M78-I80 HydrophobicContact CE-CG1 4.33Å; M78-I218 HydrophobicContact CE-CD1 3.9Å; M78-I218 HydrophobicContact CE-CG1 3.87Å; M78-I218 HydrophobicContact CE-CG2 4.27Å; M78-I218 HydrophobicContact SD-CD1 3.76Å; M78-I218 HydrophobicContact SD-CG1 3.75Å
79	A	54	Low	62.1	Low	18 Å²	18	66.2 Å²	66.2	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	148.8	170.6	0	0	0	0	0	110.8	S66 V67 L83 H87	S66-A79 CarbonylContact C-O 3.55Å; S66-A79 WeakPolarHBondContact CA-O 3.35Å; V67-A79 HydrophobicContact CG1-CB 3.86Å; V67-A79 PolarHBondContact N-O 3.17Å; V67-A79 PolarHBondContact O-N 2.76Å; A79-L83 HydrophobicContact CB-CD2 3.67Å; A79-H87 VanDerWaalsContact CB-ND1 3.27Å; A79-H87 WeakPolarHBondContact CB-ND1 3.18Å
80	I	48.9	Very low	62.4	Low	67 Å²	67	66.8 Å²	66.8	34%	0.344	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.1	-179.4	-54.7	173.1	0	0	0	106.7	M78 I218 F219	M78-I80 HydrophobicContact CE-CD1 4.01Å; M78-I80 HydrophobicContact CE-CG1 4.33Å; I80-I218 HydrophobicContact CD1-CG2 4.45Å; I80-F219 HydrophobicContact CB-CE2 4.35Å; I80-F219 HydrophobicContact CD1-CD2 3.74Å; I80-F219 HydrophobicContact CD1-CE2 4.03Å; I80-F219 HydrophobicContact CG2-CD2 4.35Å; I80-F219 HydrophobicContact CG2-CE2 4.41Å
81	G	51.1	Low	62.9	Low	27 Å²	27	69.6 Å²	69.6	28%	0.278	34%	0.341	S	S	.	.	S	Bend	trans	92.6	-139.8	-171.5	0	0	0	0	0	111.8	T65 L83	T65-G81 PolarHBondContact O-N 3.15Å; G81-L83 PolarHBondContact O-N 3.06Å; G81-L83 VanDerWaalsContact O-N 3.08Å
82	C	49.4	Very low	63.4	Low	60 Å²	60	70.4 Å²	70.4	41%	0.405	35%	0.345	S	S	.	.	S	Bend	trans	-73.8	100	-172.2	-65.6	0	0	0	0	113.5	K84 C241	C82-K84 PolarHBondContact O-N 3.22Å; C82-C241 WeakPolarHBondContact CA-SG 3.41Å; C82-C241 HydrophobicContact CB-CB 3.59Å; C82-C241 WeakPolarHBondContact CB-SG 3.49Å; C82-C241 WeakPolarHBondContact SG-CA 3.32Å; C82-C241 WeakPolarHBondContact SG-CB 3.24Å; C82-C241 CovalentContact SG-SG 2.04Å; C82-C241 PolarHBondContact SG-SG 3.47Å
83	L	54.1	Low	64	Low	35 Å²	35	72.7 Å²	72.7	18%	0.183	35%	0.354	C	S	.	.			trans	-81.7	103	-177.8	-56.4	-171.8	0	0	0	112.6	Y64 V67 A79 G81 H87 Y105	Y64-L83 WeakPolarHBondContact O-CD1 3.41Å; Y64-L83 WeakPolarHBondContact O-CG 3.26Å; V67-L83 HydrophobicContact CB-CD1 3.87Å; V67-L83 HydrophobicContact CG1-CD1 3.72Å; V67-L83 HydrophobicContact CG1-CD2 3.62Å; V67-L83 HydrophobicContact CG1-CG 4.3Å; A79-L83 HydrophobicContact CB-CD2 3.67Å; G81-L83 PolarHBondContact O-N 3.06Å; G81-L83 VanDerWaalsContact O-N 3.08Å; L83-H87 HydrophobicContact CD2-CB 4.5Å; L83-Y105 HydrophobicContact CD1-CD1 4.33Å
84	K	59.4	Low	65.4	Low	138 Å²	138	72.7 Å²	72.7	60%	0.6	35%	0.354	S	S	*	.			trans	-65	162.3	165.9	-66.9	174	176.7	-179.7	0	112.6	C82 E86 H87	C82-K84 PolarHBondContact O-N 3.22Å; K84-E86 HydrophobicContact CB-CG 4.01Å; K84-E86 WeakPolarHBondContact CD-OE1 3.46Å; K84-E86 PolarHBondContact O-N 3.11Å; K84-E86 VanDerWaalsContact O-N 3.1Å; K84-H87 PolarHBondContact N-CD2 3.14Å; K84-H87 PolarHBondContact O-CD2 3.11Å; K84-H87 PolarHBondContact O-N 3.37Å
85	N	67.1	Low	66.7	Low	110 Å²	110	67.3 Å²	67.3	59%	0.588	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-49.5	-37.3	176.5	-69	-14.1	0	0	0	113.4	H87 R88	N85-H87 PolarHBondContact O-N 3.21Å; N85-R88 VanDerWaalsContact CG-NH2 3.25Å; N85-R88 WeakPolarHBondContact O-CB 3.36Å; N85-R88 PolarHBondContact O-N 3.25Å; N85-R88 PolarHBondContact OD1-NH1 3.48Å; N85-R88 PolarHBondContact OD1-NH2 3.16Å
86	E	65.6	Low	67.7	Low	92 Å²	92	65.3 Å²	65.3	43%	0.43	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.7	179.4	67.7	-168.3	126.5	0	0	114.1	K77 K84 R88 Q89	K77-E86 PolarHBondContact NZ-O 3.2Å; K84-E86 HydrophobicContact CB-CG 4.01Å; K84-E86 WeakPolarHBondContact CD-OE1 3.46Å; K84-E86 PolarHBondContact O-N 3.11Å; K84-E86 VanDerWaalsContact O-N 3.1Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-Q89 WeakPolarHBondContact O-CG 3.31Å
87	H	70.7	Confident	68.4	Low	41 Å²	41	69.3 Å²	69.3	19%	0.19	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-81.9	-7.8	176.4	-52.7	-91.9	0	0	0	112.7	V67 W69 A79 L83 K84 N85 Q89 Y105	V67-H87 HydrophobicContact CG1-CB 3.89Å; W69-H87 PolarHBondContact NE1-O 3.38Å; A79-H87 VanDerWaalsContact CB-ND1 3.27Å; A79-H87 WeakPolarHBondContact CB-ND1 3.18Å; L83-H87 HydrophobicContact CD2-CB 4.5Å; K84-H87 PolarHBondContact N-CD2 3.14Å; K84-H87 PolarHBondContact O-CD2 3.11Å; K84-H87 PolarHBondContact O-N 3.37Å; N85-H87 PolarHBondContact O-N 3.21Å; H87-Q89 VanDerWaalsContact C-N 3.27Å; H87-Y105 PolarHBondContact O-OH 3.19Å
88	R	79.6	Confident	69.2	Low	70 Å²	70	66.8 Å²	66.8	26%	0.264	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-82.3	-3.8	171.7	-56.9	-162.3	-54.7	-109.7	-7.4	114	I58 C59 G61 N85 E86 Y105	I58-R88 WeakPolarHBondContact CA-O 3.44Å; C59-R88 PolarHBondContact N-O 3.41Å; G61-R88 WeakPolarHBondContact O-CD 3.45Å; N85-R88 VanDerWaalsContact CG-NH2 3.25Å; N85-R88 WeakPolarHBondContact O-CB 3.36Å; N85-R88 PolarHBondContact O-N 3.25Å; N85-R88 PolarHBondContact OD1-NH1 3.48Å; N85-R88 PolarHBondContact OD1-NH2 3.16Å; E86-R88 VanDerWaalsContact C-N 3.27Å; R88-Y105 VanDerWaalsContact CA-OH 3.3Å; R88-Y105 WeakPolarHBondContact CA-OH 3.13Å; R88-Y105 HydrophobicContact CG-CE1 4.39Å
89	Q	84.4	Confident	70.5	Confident	81 Å²	81	69 Å²	69	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.1	-179.5	64.9	-172.5	19	0	0	112.7	T56 L57 I58 K77 E86 H87	T56-Q89 HydrophobicContact CG2-CB 4.08Å; L57-Q89 CarbonylContact O-C 3.52Å; L57-Q89 VanDerWaalsContact O-CA 3.27Å; L57-Q89 WeakPolarHBondContact O-CA 3.3Å; I58-Q89 HydrophobicContact CG1-CB 4.21Å; K77-Q89 PolarHBondContact NZ-O 3.2Å; E86-Q89 WeakPolarHBondContact O-CG 3.31Å; H87-Q89 VanDerWaalsContact C-N 3.27Å
90	L	83.9	Confident	72.1	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.058	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.5	168.4	179.3	69	0	0	0	108.5	L57 W69 Y76 K77 L92 I101	L57-L90 PolarHBondContact N-O 3.49Å; L57-L90 PolarHBondContact O-N 2.95Å; W69-L90 HydrophobicContact CB-CD2 4.2Å; W69-L90 HydrophobicContact CD2-CB 3.64Å; W69-L90 HydrophobicContact CD2-CD2 4.15Å; W69-L90 HydrophobicContact CD2-CG 4.44Å; W69-L90 HydrophobicContact CE3-CB 3.47Å; W69-L90 VanDerWaalsContact CE3-CB 3.47Å; W69-L90 HydrophobicContact CE3-CD2 3.64Å; W69-L90 HydrophobicContact CE3-CG 4.19Å; W69-L90 HydrophobicContact CG-CB 4.27Å; W69-L90 HydrophobicContact CG-CD2 4.41Å; W69-L90 HydrophobicContact CH2-CB 4.12Å; W69-L90 HydrophobicContact CZ2-CB 4.25Å; W69-L90 HydrophobicContact CZ3-CB 3.73Å; W69-L90 HydrophobicContact CZ3-CD2 4.38Å; Y76-L90 HydrophobicContact CD2-CD2 4.27Å; Y76-L90 HydrophobicContact CG-CD2 3.98Å; K77-L90 HydrophobicContact CB-CD1 4.22Å; L90-L92 HydrophobicContact CD1-CD2 4.31Å; L90-L92 HydrophobicContact CD2-CD1 4.02Å; L90-L92 HydrophobicContact CD2-CD2 4.14Å; L90-L92 HydrophobicContact CD2-CG 4.2Å; L90-L92 HydrophobicContact CG-CD1 4.34Å; L90-L92 HydrophobicContact CG-CD2 4.07Å; L90-L92 HydrophobicContact CG-CG 4.03Å; L90-I101 HydrophobicContact CD2-CG2 4.16Å
91	Q	83.7	Confident	73.9	Confident	117 Å²	117	68 Å²	68	55%	0.547	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136	172.5	-169.1	172.1	15.5	0	0	109.1	D35 I55	D35-Q91 PolarHBondContact OD2-NE2 3.48Å; I55-Q91 WeakPolarHBondContact O-CA 3.42Å
92	L	81	Confident	75.5	Confident	26 Å²	26	67.7 Å²	67.7	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.5	-179.2	-59.4	166.4	0	0	0	108.7	S54 I55 L57 Y76 L90 W94 I101	S54-L92 CarbonylContact C-O 3.56Å; S54-L92 WeakPolarHBondContact CA-O 3.32Å; I55-L92 HydrophobicContact CG2-CB 4Å; I55-L92 PolarHBondContact N-O 2.94Å; I55-L92 PolarHBondContact O-N 3.23Å; L57-L92 HydrophobicContact CD1-CD1 4.16Å; Y76-L92 HydrophobicContact CD1-CD2 4.12Å; Y76-L92 HydrophobicContact CE1-CD2 4.49Å; L90-L92 HydrophobicContact CD1-CD2 4.31Å; L90-L92 HydrophobicContact CD2-CD1 4.02Å; L90-L92 HydrophobicContact CD2-CD2 4.14Å; L90-L92 HydrophobicContact CD2-CG 4.2Å; L90-L92 HydrophobicContact CG-CD1 4.34Å; L90-L92 HydrophobicContact CG-CD2 4.07Å; L90-L92 HydrophobicContact CG-CG 4.03Å; L92-W94 WeakPolarHBondContact CB-O 3.35Å; L92-W94 PolarHBondContact O-N 3.45Å; L92-I101 HydrophobicContact CD1-CD1 3.61Å
93	D	78.1	Confident	77.2	Confident	123 Å²	123	64.9 Å²	64.9	66%	0.658	32%	0.315	S	S	*	.	S	Bend	trans	-63.5	-26.5	179.2	-53.7	-42.5	0	0	0	112.6	T53 S54	T53-D93 CarbonylContact C-O 3.56Å; S54-D93 WeakPolarHBondContact CA-O 3.39Å; S54-D93 PolarHBondContact N-O 2.98Å
94	W	79	Confident	78.5	Confident	172 Å²	172	63.9 Å²	63.9	65%	0.652	31%	0.31	S	S	*	.	S	Bend	trans	-153.4	156.1	169.1	55.1	84.4	0	0	0	109.7	W50 L92 P96	W50-W94 HydrophobicContact CZ2-CB 3.99Å; L92-W94 WeakPolarHBondContact CB-O 3.35Å; L92-W94 PolarHBondContact O-N 3.45Å; W94-P96 WeakPolarHBondContact O-CD 3.35Å
95	F	81.5	Confident	79.5	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.026	28%	0.282	C	S	.	.			trans	-69.3	122.9	171.9	-162.8	-86.8	0	0	0	109.4	W50 I55 L57 V98 I101 L120 L125	W50-F95 HydrophobicContact CZ2-CB 4.44Å; I55-F95 HydrophobicContact CD1-CD2 4.36Å; I55-F95 HydrophobicContact CG2-CB 4.33Å; L57-F95 HydrophobicContact CD1-CD2 4.49Å; L57-F95 HydrophobicContact CD1-CE2 4.06Å; L57-F95 HydrophobicContact CD2-CE2 4.47Å; F95-V98 HydrophobicContact CE1-CG2 4.34Å; F95-I101 HydrophobicContact CD2-CD1 4.34Å; F95-I101 HydrophobicContact CE2-CD1 3.83Å; F95-I101 HydrophobicContact CE2-CG1 4.21Å; F95-I101 HydrophobicContact CZ-CD1 3.97Å; F95-I101 HydrophobicContact CZ-CG1 3.93Å; F95-L120 HydrophobicContact CB-CD2 4.16Å; F95-L120 HydrophobicContact CD1-CB 3.63Å; F95-L120 HydrophobicContact CD1-CD2 3.61Å; F95-L120 HydrophobicContact CD1-CG 4.24Å; F95-L120 HydrophobicContact CE1-CB 3.53Å; F95-L120 HydrophobicContact CE1-CD2 4.35Å; F95-L120 HydrophobicContact CG-CB 4.32Å; F95-L120 HydrophobicContact CG-CD2 4.13Å; F95-L120 HydrophobicContact CZ-CB 4.14Å; F95-L125 HydrophobicContact CB-CD2 4.42Å; F95-L125 HydrophobicContact CD2-CD2 3.43Å; F95-L125 VanDerWaalsContact CD2-CD2 3.43Å; F95-L125 HydrophobicContact CE2-CD2 3.71Å; F95-L125 HydrophobicContact CG-CD2 3.91Å; F95-L125 HydrophobicContact CZ-CD2 4.41Å
96	P	74.1	Confident	79.7	Confident	23 Å²	23	52.8 Å²	52.8	15%	0.149	26%	0.258	C	S	.	.			trans	-68.4	155.3	-176.2	24.4	-31.3	0	0	0	111.8	Y76 W94 V98 I101	Y76-P96 HydrophobicContact CE1-CG 4.12Å; Y76-P96 WeakPolarHBondContact OH-CG 3.23Å; W94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-V98 HydrophobicContact CB-CG2 4.42Å; P96-V98 HydrophobicContact CG-CG2 3.97Å; P96-V98 PolarHBondContact O-N 2.69Å; P96-I101 HydrophobicContact CG-CD1 3.8Å
97	N	76.2	Confident	79.9	Confident	140 Å²	140	48.4 Å²	48.4	75%	0.749	24%	0.237	S	C	*	.	S	Bend	trans	-73.4	72.9	176.9	-171.5	3.5	0	0	0	111.5	R73	R73-N97 PolarHBondContact NH1-O 2.86Å
98	V	78.3	Confident	79.5	Confident	10 Å²	10	51 Å²	51	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-136.6	148.9	175	-63	0	0	0	0	108.1	R73 F95 P96 E100 I101	R73-V98 HydrophobicContact CB-CG1 4.13Å; R73-V98 HydrophobicContact CG-CG1 3.91Å; F95-V98 HydrophobicContact CE1-CG2 4.34Å; P96-V98 HydrophobicContact CB-CG2 4.42Å; P96-V98 HydrophobicContact CG-CG2 3.97Å; P96-V98 PolarHBondContact O-N 2.69Å; V98-E100 VanDerWaalsContact C-N 3.3Å; V98-E100 PolarHBondContact O-N 2.94Å; V98-I101 HydrophobicContact CG2-CG1 3.99Å
99	P	81.3	Confident	78.5	Confident	82 Å²	82	52.2 Å²	52.2	53%	0.532	26%	0.255	S	S	.	.	S	Bend	trans	-63.3	-38.1	-178.8	24.3	-33.9	0	0	0	112.4	V72 S119 L120	V72-P99 HydrophobicContact CG2-CG 4.09Å; P99-S119 WeakPolarHBondContact O-CA 3.29Å; P99-S119 WeakPolarHBondContact O-CB 3.31Å; P99-L120 PolarHBondContact O-N 2.88Å
100	E	87.1	Confident	77.8	Confident	63 Å²	63	53.4 Å²	53.4	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154	-177.9	62.7	-171.8	-177	0	0	112.7	S71 V98 I102 I117 F118	S71-E100 WeakPolarHBondContact CB-O 3.12Å; V98-E100 VanDerWaalsContact C-N 3.3Å; V98-E100 PolarHBondContact O-N 2.94Å; E100-I102 HydrophobicContact CG-CD1 4.46Å; E100-I102 HydrophobicContact CG-CG1 4.28Å; E100-I117 HydrophobicContact CB-CG2 4.18Å; E100-I117 WeakPolarHBondContact OE2-CG2 3.4Å; E100-F118 CarbonylContact C-O 3.58Å; E100-F118 VanDerWaalsContact CA-O 3.24Å; E100-F118 WeakPolarHBondContact CA-O 3.22Å
101	I	86.7	Confident	77.2	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.1	165.2	-61.8	179	0	0	0	106.9	L57 W69 Y70 Y76 L90 L92 F95 P96 V98 F118	L57-I101 HydrophobicContact CD1-CB 4.26Å; L57-I101 HydrophobicContact CD1-CD1 3.91Å; L57-I101 HydrophobicContact CD1-CG2 4.23Å; W69-I101 HydrophobicContact CE3-CG2 4.17Å; Y70-I101 CarbonylContact O-C 3.51Å; Y70-I101 WeakPolarHBondContact O-CA 3.34Å; Y76-I101 HydrophobicContact CD2-CG2 4.34Å; Y76-I101 HydrophobicContact CE2-CD1 4.24Å; Y76-I101 HydrophobicContact CE2-CG1 4.14Å; Y76-I101 HydrophobicContact CE2-CG2 4.34Å; L90-I101 HydrophobicContact CD2-CG2 4.16Å; L92-I101 HydrophobicContact CD1-CD1 3.61Å; F95-I101 HydrophobicContact CD2-CD1 4.34Å; F95-I101 HydrophobicContact CE2-CD1 3.83Å; F95-I101 HydrophobicContact CE2-CG1 4.21Å; F95-I101 HydrophobicContact CZ-CD1 3.97Å; F95-I101 HydrophobicContact CZ-CG1 3.93Å; P96-I101 HydrophobicContact CG-CD1 3.8Å; V98-I101 HydrophobicContact CG2-CG1 3.99Å; I101-F118 PolarHBondContact N-O 3.13Å; I101-F118 PolarHBondContact O-N 2.82Å
102	I	84.9	Confident	77	Confident	22 Å²	22	55 Å²	55	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.2	-178.6	-56.7	174.5	0	0	0	108.5	W69 Y70 E100 V115 C116	W69-I102 CarbonylContact C-O 3.59Å; W69-I102 WeakPolarHBondContact CA-O 3.37Å; Y70-I102 HydrophobicContact CD1-CB 4.44Å; Y70-I102 HydrophobicContact CE1-CB 4Å; Y70-I102 HydrophobicContact CE1-CG2 3.86Å; Y70-I102 HydrophobicContact CE2-CB 4.07Å; Y70-I102 HydrophobicContact CE2-CD1 3.95Å; Y70-I102 HydrophobicContact CE2-CG2 4.47Å; Y70-I102 PolarHBondContact N-O 2.91Å; Y70-I102 PolarHBondContact O-N 3.19Å; E100-I102 HydrophobicContact CG-CD1 4.46Å; E100-I102 HydrophobicContact CG-CG1 4.28Å; I102-V115 HydrophobicContact CG2-CG1 3.48Å; I102-V115 VanDerWaalsContact CG2-CG1 3.48Å; I102-C116 CarbonylContact C-O 3.56Å; I102-C116 WeakPolarHBondContact CA-O 3.27Å
103	A	85.3	Confident	77	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.4	168.9	0	0	0	0	0	108.9	C59 M68 W69 Y105 C116 F118	C59-A103 HydrophobicContact CB-CB 4.28Å; M68-A103 CarbonylContact O-C 3.38Å; M68-A103 WeakPolarHBondContact O-CA 3.44Å; W69-A103 HydrophobicContact CD2-CB 3.53Å; W69-A103 HydrophobicContact CE3-CB 3.52Å; W69-A103 HydrophobicContact CG-CB 4.2Å; W69-A103 HydrophobicContact CH2-CB 3.79Å; W69-A103 HydrophobicContact CZ2-CB 3.8Å; W69-A103 HydrophobicContact CZ3-CB 3.66Å; A103-Y105 HydrophobicContact CB-CD2 4.46Å; A103-Y105 HydrophobicContact CB-CE2 3.74Å; A103-C116 HydrophobicContact CB-CB 4.18Å; A103-C116 PolarHBondContact N-O 3.14Å; A103-C116 PolarHBondContact O-N 3.37Å; A103-F118 HydrophobicContact CB-CE2 4.31Å
104	T	79.9	Confident	77.4	Confident	14 Å²	14	51.7 Å²	51.7	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.2	174.5	-67.4	0	0	0	0	109.3	V67 M68 V106 R113 Q114	V67-T104 CarbonylContact C-O 3.56Å; V67-T104 VanDerWaalsContact CA-O 3.26Å; V67-T104 WeakPolarHBondContact CA-O 3.33Å; M68-T104 PolarHBondContact N-O 3.22Å; M68-T104 PolarHBondContact O-N 3.4Å; T104-V106 HydrophobicContact CG2-CG2 4.1Å; T104-R113 HydrophobicContact CG2-CG 3.9Å; T104-Q114 CarbonylContact C-O 3.6Å; T104-Q114 WeakPolarHBondContact CA-O 3.43Å
105	Y	81.4	Confident	77.8	Confident	2 Å²	2	44 Å²	44	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.6	172.4	-68.2	-104.8	0	0	0	108.8	C59 Y64 S66 V67 W69 L83 H87 R88 A103 R113 Q114	C59-Y105 HydrophobicContact CB-CD2 4.27Å; C59-Y105 HydrophobicContact CB-CE2 3.41Å; C59-Y105 VanDerWaalsContact CB-CE2 3.41Å; C59-Y105 WeakPolarHBondContact SG-CD2 3.4Å; C59-Y105 WeakPolarHBondContact SG-CE2 3.48Å; Y64-Y105 HydrophobicContact CD2-CD1 4.34Å; Y64-Y105 HydrophobicContact CG-CD1 4.23Å; Y64-Y105 HydrophobicContact CG-CG 4.36Å; S66-Y105 CarbonylContact O-C 3.56Å; S66-Y105 VanDerWaalsContact O-CA 3.29Å; S66-Y105 WeakPolarHBondContact O-CA 3.37Å; V67-Y105 HydrophobicContact CB-CD1 3.72Å; V67-Y105 HydrophobicContact CB-CE1 3.59Å; V67-Y105 HydrophobicContact CB-CG 4.3Å; V67-Y105 HydrophobicContact CG1-CE1 4.43Å; V67-Y105 HydrophobicContact CG2-CD1 3.8Å; V67-Y105 HydrophobicContact CG2-CD2 4.18Å; V67-Y105 HydrophobicContact CG2-CE1 3.29Å; V67-Y105 HydrophobicContact CG2-CE2 3.7Å; V67-Y105 HydrophobicContact CG2-CG 4.18Å; V67-Y105 WeakPolarHBondContact CG2-OH 3.43Å; W69-Y105 VanDerWaalsContact CZ2-OH 3.29Å; W69-Y105 WeakPolarHBondContact CZ2-OH 3.43Å; W69-Y105 PolarHBondContact NE1-OH 3.48Å; L83-Y105 HydrophobicContact CD1-CD1 4.33Å; H87-Y105 PolarHBondContact O-OH 3.19Å; R88-Y105 VanDerWaalsContact CA-OH 3.3Å; R88-Y105 WeakPolarHBondContact CA-OH 3.13Å; R88-Y105 HydrophobicContact CG-CE1 4.39Å; A103-Y105 HydrophobicContact CB-CD2 4.46Å; A103-Y105 HydrophobicContact CB-CE2 3.74Å; Y105-R113 CarbonylContact O-C 3.54Å; Y105-R113 WeakPolarHBondContact O-CA 3.34Å; Y105-Q114 PolarHBondContact N-O 3.32Å; Y105-Q114 PolarHBondContact O-N 3.47Å
106	V	69.9	Low	78.2	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	177.2	177.9	0	0	0	0	110.3	T65 S66 T104 Y108 R113 L134	T65-V106 PolarHBondContact N-O 2.99Å; T65-V106 PolarHBondContact OG1-O 3.3Å; S66-V106 PolarHBondContact N-O 2.96Å; S66-V106 PolarHBondContact O-N 3.07Å; S66-V106 WeakPolarHBondContact OG-CB 3.22Å; T104-V106 HydrophobicContact CG2-CG2 4.1Å; V106-Y108 HydrophobicContact CG1-CD1 3.79Å; V106-Y108 HydrophobicContact CG1-CD2 4.35Å; V106-Y108 HydrophobicContact CG1-CE1 3.55Å; V106-Y108 HydrophobicContact CG1-CE2 4.12Å; V106-Y108 HydrophobicContact CG1-CG 4.18Å; V106-R113 HydrophobicContact CG2-CB 4.27Å; V106-R113 HydrophobicContact CG2-CG 4.08Å; V106-L134 HydrophobicContact CG1-CD1 3.64Å
107	S	70.6	Confident	79	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.9	167.8	-176.4	0	0	0	0	107.6	G63 E109 K110 R111 I112	G63-S107 WeakPolarHBondContact O-CB 3.3Å; G63-S107 PolarHBondContact O-OG 3.18Å; S107-E109 VanDerWaalsContact C-N 3.32Å; S107-K110 WeakPolarHBondContact OG-CB 3.46Å; S107-K110 WeakPolarHBondContact OG-CG 3.46Å; S107-K110 PolarHBondContact OG-N 3.47Å; S107-R111 WeakPolarHBondContact O-CA 3.32Å; S107-R111 PolarHBondContact O-N 3.41Å; S107-I112 PolarHBondContact N-O 2.78Å; S107-I112 PolarHBondContact O-N 3.29Å
108	Y	62.7	Low	79.8	Confident	94 Å²	94	38.8 Å²	38.8	37%	0.369	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.7	175.9	-62	-68.6	0	0	0	111.3	T65 V106 R111 V139	T65-Y108 WeakPolarHBondContact OG1-CD2 3.44Å; T65-Y108 PolarHBondContact OG1-N 3.41Å; T65-Y108 VanDerWaalsContact OG1-N 3.12Å; V106-Y108 HydrophobicContact CG1-CD1 3.79Å; V106-Y108 HydrophobicContact CG1-CD2 4.35Å; V106-Y108 HydrophobicContact CG1-CE1 3.55Å; V106-Y108 HydrophobicContact CG1-CE2 4.12Å; V106-Y108 HydrophobicContact CG1-CG 4.18Å; Y108-R111 PolarHBondContact O-N 2.92Å; Y108-V139 HydrophobicContact CD1-CG1 4.31Å; Y108-V139 HydrophobicContact CD1-CG2 4.42Å; Y108-V139 HydrophobicContact CE1-CG1 4.22Å; Y108-V139 HydrophobicContact CE1-CG2 4.38Å
109	E	58.9	Low	80.3	Confident	97 Å²	97	39.8 Å²	39.8	45%	0.453	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-48.7	175.6	-176.6	-178.9	-173.4	0	0	111.8	S107 R111 G237 E238	S107-E109 VanDerWaalsContact C-N 3.32Å; E109-R111 VanDerWaalsContact C-N 3.34Å; E109-G237 WeakPolarHBondContact OE2-CA 3.2Å; E109-E238 PolarHBondContact OE2-N 2.9Å
110	K	68.6	Low	80.4	Confident	106 Å²	106	38 Å²	38	46%	0.461	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.3	178.6	-59.6	176	-173.3	177.6	0	113.7	K62 S107 I112	K62-K110 PolarHBondContact O-NZ 2.73Å; S107-K110 WeakPolarHBondContact OG-CB 3.46Å; S107-K110 WeakPolarHBondContact OG-CG 3.46Å; S107-K110 PolarHBondContact OG-N 3.47Å; K110-I112 HydrophobicContact CB-CD1 4.13Å; K110-I112 HydrophobicContact CB-CG1 3.88Å; K110-I112 HydrophobicContact CD-CD1 4.2Å; K110-I112 PolarHBondContact O-N 3.32Å
111	R	71.9	Confident	80.2	Confident	128 Å²	128	38.5 Å²	38.5	48%	0.483	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	36.4	-173.8	-61.3	-179.9	165.6	-143.8	-12.8	114.6	S107 Y108 E109 L134 D136	S107-R111 WeakPolarHBondContact O-CA 3.32Å; S107-R111 PolarHBondContact O-N 3.41Å; Y108-R111 PolarHBondContact O-N 2.92Å; E109-R111 VanDerWaalsContact C-N 3.34Å; R111-L134 PolarHBondContact O-N 3.45Å; R111-D136 IonicContact CZ-OD1 2.87Å; R111-D136 VanDerWaalsContact CZ-OD1 3.22Å; R111-D136 IonicContact CZ-OD2 3.43Å; R111-D136 IonicContact NH1-OD1 3.67Å; R111-D136 PolarHBondContact NH1-OD1 2.86Å; R111-D136 IonicContact NH1-OD2 3.88Å; R111-D136 PolarHBondContact NH1-OD2 3.44Å; R111-D136 IonicContact NH2-OD1 3.92Å; R111-D136 PolarHBondContact NH2-OD1 3.49Å; R111-D136 IonicContact NH2-OD2 2.97Å
112	I	79.2	Confident	79.8	Confident	33 Å²	33	46.2 Å²	46.2	17%	0.169	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.2	179.7	57.7	175.9	0	0	0	112.9	Y64 S107 K110 V131 E132 E133	Y64-I112 HydrophobicContact CE1-CD1 4.09Å; Y64-I112 HydrophobicContact CE1-CG1 4.11Å; S107-I112 PolarHBondContact N-O 2.78Å; S107-I112 PolarHBondContact O-N 3.29Å; K110-I112 HydrophobicContact CB-CD1 4.13Å; K110-I112 HydrophobicContact CB-CG1 3.88Å; K110-I112 HydrophobicContact CD-CD1 4.2Å; K110-I112 PolarHBondContact O-N 3.32Å; I112-V131 HydrophobicContact CB-CG1 4.16Å; I112-V131 HydrophobicContact CG2-CG1 4.31Å; I112-E132 CarbonylContact C-O 3.45Å; I112-E132 WeakPolarHBondContact CA-O 3.27Å; I112-E133 HydrophobicContact CG2-CG 4.41Å
113	R	80.8	Confident	79.4	Confident	70 Å²	70	46.7 Å²	46.7	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110	170.4	175.7	179.7	179.6	-126.3	0.2	108.8	T104 Y105 V106 V115 V131 E132 L134	T104-R113 HydrophobicContact CG2-CG 3.9Å; Y105-R113 CarbonylContact O-C 3.54Å; Y105-R113 WeakPolarHBondContact O-CA 3.34Å; V106-R113 HydrophobicContact CG2-CB 4.27Å; V106-R113 HydrophobicContact CG2-CG 4.08Å; R113-V115 HydrophobicContact CG-CG2 4.03Å; R113-V131 WeakPolarHBondContact O-CA 3.33Å; R113-E132 HydrophobicContact CB-CB 4.36Å; R113-E132 WeakPolarHBondContact CD-OE2 3.32Å; R113-E132 IonicContact CZ-OE2 3.02Å; R113-E132 PolarHBondContact N-O 3.19Å; R113-E132 IonicContact NE-OE2 2.72Å; R113-E132 IonicContact NH1-OE1 2.82Å; R113-E132 IonicContact NH1-OE2 3.63Å; R113-E132 PolarHBondContact NH1-OE2 3.47Å; R113-E132 PolarHBondContact O-N 3.4Å; R113-L134 HydrophobicContact CB-CD2 4.31Å; R113-L134 HydrophobicContact CB-CG 4.33Å
114	Q	86.1	Confident	79.3	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.8	170.3	176.7	171.4	-44.4	0	0	109.8	C59 S60 Y64 T104 Y105 V129 S130 V131	C59-Q114 PolarHBondContact SG-NE2 3.32Å; C59-Q114 VanDerWaalsContact SG-NE2 3.36Å; S60-Q114 PolarHBondContact O-NE2 3.33Å; Y64-Q114 HydrophobicContact CE1-CB 3.87Å; Y64-Q114 PolarHBondContact OH-OE1 3.4Å; T104-Q114 CarbonylContact C-O 3.6Å; T104-Q114 WeakPolarHBondContact CA-O 3.43Å; Y105-Q114 PolarHBondContact N-O 3.32Å; Y105-Q114 PolarHBondContact O-N 3.47Å; Q114-V129 HydrophobicContact CG-CG1 3.58Å; Q114-S130 CarbonylContact C-O 3.23Å; Q114-S130 WeakPolarHBondContact CA-O 3.35Å; Q114-V131 HydrophobicContact CB-CG2 4.13Å; Q114-V131 HydrophobicContact CG-CG2 4.08Å
115	V	87.3	Confident	79.6	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	105.8	178.2	-173.7	0	0	0	0	108.4	I102 R113 I117 V129 S130	I102-V115 HydrophobicContact CG2-CG1 3.48Å; I102-V115 VanDerWaalsContact CG2-CG1 3.48Å; R113-V115 HydrophobicContact CG-CG2 4.03Å; V115-I117 HydrophobicContact CG1-CG1 4.06Å; V115-V129 WeakPolarHBondContact O-CA 3.33Å; V115-S130 PolarHBondContact N-O 3.34Å; V115-S130 PolarHBondContact O-N 3.34Å
116	C	91	Very high	79.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.9	168.7	-71.2	0	0	0	0	109.4	A40 C59 I102 A103 F118 G128	A40-C116 HydrophobicContact CB-CB 4.05Å; C59-C116 HydrophobicContact CB-CB 3.67Å; C59-C116 WeakPolarHBondContact CB-SG 3.47Å; C59-C116 WeakPolarHBondContact SG-CB 3.26Å; C59-C116 CovalentContact SG-SG 2.03Å; C59-C116 PolarHBondContact SG-SG 2.97Å; I102-C116 CarbonylContact C-O 3.56Å; I102-C116 WeakPolarHBondContact CA-O 3.27Å; A103-C116 HydrophobicContact CB-CB 4.18Å; A103-C116 PolarHBondContact N-O 3.14Å; A103-C116 PolarHBondContact O-N 3.37Å; C116-F118 HydrophobicContact CB-CE2 3.76Å; C116-F118 HydrophobicContact CB-CZ 4.15Å; C116-G128 CarbonylContact C-O 3.39Å; C116-G128 WeakPolarHBondContact CA-O 3.14Å
117	I	90.9	Very high	80.9	Confident	61 Å²	61	51 Å²	51	31%	0.313	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.5	179	-55.3	174.7	0	0	0	107.9	E100 V115 S127 G128	E100-I117 HydrophobicContact CB-CG2 4.18Å; E100-I117 WeakPolarHBondContact OE2-CG2 3.4Å; V115-I117 HydrophobicContact CG1-CG1 4.06Å; I117-S127 CarbonylContact O-C 3.38Å; I117-S127 WeakPolarHBondContact O-CA 3.29Å; I117-G128 PolarHBondContact N-O 2.87Å; I117-G128 PolarHBondContact O-N 2.97Å
118	F	92.3	Very high	81.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.2	176.7	-57.4	-90.8	0	0	0	108.9	L38 A40 L57 I58 C59 W69 E100 I101 A103 C116 S126	L38-F118 HydrophobicContact CD2-CD1 4.12Å; L38-F118 HydrophobicContact CG-CD1 4.26Å; L38-F118 HydrophobicContact CG-CE1 4.43Å; A40-F118 HydrophobicContact CB-CE1 3.79Å; A40-F118 HydrophobicContact CB-CZ 3.69Å; L57-F118 HydrophobicContact CB-CD1 4.13Å; L57-F118 HydrophobicContact CB-CD2 4.38Å; L57-F118 HydrophobicContact CB-CE1 4.01Å; L57-F118 HydrophobicContact CB-CE2 4.28Å; L57-F118 HydrophobicContact CB-CG 4.31Å; L57-F118 HydrophobicContact CB-CZ 4.09Å; L57-F118 HydrophobicContact CD1-CB 4.07Å; L57-F118 HydrophobicContact CD1-CD1 4.49Å; L57-F118 HydrophobicContact CD1-CD2 4.28Å; L57-F118 HydrophobicContact CD1-CG 4.04Å; L57-F118 HydrophobicContact CD2-CB 4.27Å; L57-F118 HydrophobicContact CD2-CD1 3.75Å; L57-F118 HydrophobicContact CD2-CE1 4.31Å; L57-F118 HydrophobicContact CD2-CG 4.09Å; L57-F118 HydrophobicContact CG-CD1 4.34Å; L57-F118 HydrophobicContact CG-CG 4.38Å; I58-F118 WeakPolarHBondContact O-CZ 3.36Å; C59-F118 HydrophobicContact CB-CZ 4.46Å; W69-F118 AromaticContact CH2-CE2 3.74Å; W69-F118 HydrophobicContact CH2-CE2 3.74Å; W69-F118 HydrophobicContact CH2-CZ 4.04Å; W69-F118 AromaticContact CZ3-CD2 4Å; W69-F118 HydrophobicContact CZ3-CD2 4Å; W69-F118 AromaticContact CZ3-CE2 3.48Å; W69-F118 HydrophobicContact CZ3-CE2 3.48Å; W69-F118 VanDerWaalsContact CZ3-CE2 3.48Å; W69-F118 HydrophobicContact CZ3-CZ 4.15Å; E100-F118 CarbonylContact C-O 3.58Å; E100-F118 VanDerWaalsContact CA-O 3.24Å; E100-F118 WeakPolarHBondContact CA-O 3.22Å; I101-F118 PolarHBondContact N-O 3.13Å; I101-F118 PolarHBondContact O-N 2.82Å; A103-F118 HydrophobicContact CB-CE2 4.31Å; C116-F118 HydrophobicContact CB-CE2 3.76Å; C116-F118 HydrophobicContact CB-CZ 4.15Å; F118-S126 WeakPolarHBondContact CA-O 3.45Å
119	S	88.6	Confident	83	Confident	30 Å²	30	49.3 Å²	49.3	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	-179	62.1	0	0	0	0	111.5	P99 L125 S126	P99-S119 WeakPolarHBondContact O-CA 3.29Å; P99-S119 WeakPolarHBondContact O-CB 3.31Å; S119-L125 CarbonylContact O-C 3.53Å; S119-L125 VanDerWaalsContact O-CA 3.31Å; S119-L125 WeakPolarHBondContact O-CA 3.49Å; S119-S126 PolarHBondContact N-O 3.47Å; S119-S126 PolarHBondContact O-N 2.8Å; S119-S126 PolarHBondContact OG-OG 2.83Å
120	L	85	Confident	84.2	Confident	46 Å²	46	47.4 Å²	47.4	24%	0.241	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.8	175.4	176.2	67.2	0	0	0	108.9	W50 F95 P99 L125	W50-L120 HydrophobicContact CB-CD1 4.11Å; W50-L120 HydrophobicContact CE3-CD1 4.34Å; W50-L120 HydrophobicContact CE3-CD2 4Å; W50-L120 HydrophobicContact CZ3-CD2 4.26Å; F95-L120 HydrophobicContact CB-CD2 4.16Å; F95-L120 HydrophobicContact CD1-CB 3.63Å; F95-L120 HydrophobicContact CD1-CD2 3.61Å; F95-L120 HydrophobicContact CD1-CG 4.24Å; F95-L120 HydrophobicContact CE1-CB 3.53Å; F95-L120 HydrophobicContact CE1-CD2 4.35Å; F95-L120 HydrophobicContact CG-CB 4.32Å; F95-L120 HydrophobicContact CG-CD2 4.13Å; F95-L120 HydrophobicContact CZ-CB 4.14Å; P99-L120 PolarHBondContact O-N 2.88Å; L120-L125 HydrophobicContact CB-CD2 4.15Å; L120-L125 HydrophobicContact CD1-CD2 3.97Å; L120-L125 HydrophobicContact CD1-CG 3.87Å
121	S	82.1	Confident	85	Confident	73 Å²	73	45.3 Å²	45.3	51%	0.51	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.7	177	-175.3	0	0	0	0	110.2	G123 I124	S121-G123 PolarHBondContact O-N 3.3Å; S121-G123 VanDerWaalsContact O-N 3.1Å; S121-I124 PolarHBondContact N-O 3.03Å; S121-I124 PolarHBondContact O-N 2.95Å; S121-I124 VanDerWaalsContact O-O 3.1Å
122	N	78.9	Confident	85.4	Confident	162 Å²	162	43.1 Å²	43.1	87%	0.866	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	36.1	178.9	-60.3	-22.4	0	0	0	114.6	I124	N122-I124 VanDerWaalsContact C-N 3.26Å; N122-I124 PolarHBondContact O-N 2.86Å
123	G	76.2	Confident	85.4	Confident	32 Å²	32	49.7 Å²	49.7	33%	0.33	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	2.4	-178.5	0	0	0	0	0	115.2	W50 S121	W50-G123 PolarHBondContact N-O 3.22Å; S121-G123 PolarHBondContact O-N 3.3Å; S121-G123 VanDerWaalsContact O-N 3.1Å
124	I	83.2	Confident	84.6	Confident	88 Å²	88	49.4 Å²	49.4	45%	0.451	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.6	172.3	-56.7	175.7	0	0	0	108.1	Y47 S121 N122	Y47-I124 HydrophobicContact CD1-CG2 4.04Å; S121-I124 PolarHBondContact N-O 3.03Å; S121-I124 PolarHBondContact O-N 2.95Å; S121-I124 VanDerWaalsContact O-O 3.1Å; N122-I124 VanDerWaalsContact C-N 3.26Å; N122-I124 PolarHBondContact O-N 2.86Å
125	L	85.7	Confident	83.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.7	166.6	-62.7	140.4	0	0	0	108.2	V36 L38 Y47 A48 W50 I55 F95 S119 L120	V36-L125 HydrophobicContact CG1-CD1 4.48Å; L38-L125 HydrophobicContact CD2-CB 3.54Å; Y47-L125 VanDerWaalsContact CA-O 3.3Å; Y47-L125 WeakPolarHBondContact CA-O 3.26Å; A48-L125 HydrophobicContact CB-CB 4.47Å; A48-L125 HydrophobicContact CB-CD1 4.34Å; A48-L125 PolarHBondContact N-O 2.86Å; A48-L125 PolarHBondContact O-N 3.11Å; W50-L125 HydrophobicContact CB-CD1 3.6Å; W50-L125 HydrophobicContact CB-CG 4.09Å; W50-L125 HydrophobicContact CG-CD1 4.07Å; I55-L125 HydrophobicContact CD1-CD1 3.26Å; I55-L125 HydrophobicContact CD1-CD2 3.67Å; I55-L125 HydrophobicContact CD1-CG 4.06Å; F95-L125 HydrophobicContact CB-CD2 4.42Å; F95-L125 HydrophobicContact CD2-CD2 3.43Å; F95-L125 VanDerWaalsContact CD2-CD2 3.43Å; F95-L125 HydrophobicContact CE2-CD2 3.71Å; F95-L125 HydrophobicContact CG-CD2 3.91Å; F95-L125 HydrophobicContact CZ-CD2 4.41Å; S119-L125 CarbonylContact O-C 3.53Å; S119-L125 VanDerWaalsContact O-CA 3.31Å; S119-L125 WeakPolarHBondContact O-CA 3.49Å; L120-L125 HydrophobicContact CB-CD2 4.15Å; L120-L125 HydrophobicContact CD1-CD2 3.97Å; L120-L125 HydrophobicContact CD1-CG 3.87Å
126	S	87.7	Confident	81.3	Confident	32 Å²	32	61.8 Å²	61.8	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.9	169.4	79.1	0	0	0	0	110.1	S46 Y47 F118 S119	S46-S126 WeakPolarHBondContact O-CA 3.34Å; Y47-S126 VanDerWaalsContact CE1-CB 3.48Å; F118-S126 WeakPolarHBondContact CA-O 3.45Å; S119-S126 PolarHBondContact N-O 3.47Å; S119-S126 PolarHBondContact O-N 2.8Å; S119-S126 PolarHBondContact OG-OG 2.83Å
127	S	90.4	Very high	78.8	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.007	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.1	173.7	69.2	0	0	0	0	111.9	A40 P45 S46 I117	A40-S127 WeakPolarHBondContact CA-OG 3.36Å; P45-S127 VanDerWaalsContact CA-O 3.25Å; P45-S127 WeakPolarHBondContact CA-O 3.45Å; S46-S127 WeakPolarHBondContact CB-OG 3.47Å; S46-S127 PolarHBondContact N-O 3.14Å; S46-S127 VanDerWaalsContact N-O 3.14Å; S46-S127 PolarHBondContact O-N 2.91Å; I117-S127 CarbonylContact O-C 3.38Å; I117-S127 WeakPolarHBondContact O-CA 3.29Å
128	G	87.7	Confident	76	Confident	29 Å²	29	72.8 Å²	72.8	30%	0.299	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.4	171.6	0	0	0	0	0	112	C116 I117	C116-G128 CarbonylContact C-O 3.39Å; C116-G128 WeakPolarHBondContact CA-O 3.14Å; I117-G128 PolarHBondContact N-O 2.87Å; I117-G128 PolarHBondContact O-N 2.97Å
129	V	89.9	Confident	73.2	Confident	29 Å²	29	77.7 Å²	77.7	18%	0.176	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.9	172.6	-172.8	0	0	0	0	108.8	A40 L42 Q114 V115 V131	A40-V129 VanDerWaalsContact C-CG2 3.46Å; A40-V129 HydrophobicContact CB-CG2 3.61Å; L42-V129 HydrophobicContact CD1-CB 4.18Å; L42-V129 HydrophobicContact CD1-CG1 3.78Å; Q114-V129 HydrophobicContact CG-CG1 3.58Å; V115-V129 WeakPolarHBondContact O-CA 3.33Å; V129-V131 HydrophobicContact CG1-CG2 4.47Å
130	S	85.7	Confident	70.3	Confident	56 Å²	56	81 Å²	81	39%	0.392	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.8	165.8	-170.1	0	0	0	0	109.6	Q114 V115	Q114-S130 CarbonylContact C-O 3.23Å; Q114-S130 WeakPolarHBondContact CA-O 3.35Å; V115-S130 PolarHBondContact N-O 3.34Å; V115-S130 PolarHBondContact O-N 3.34Å
131	V	85.2	Confident	67.7	Low	63 Å²	63	84.6 Å²	84.6	38%	0.382	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.2	170.7	-178.5	0	0	0	0	108	L42 I112 R113 Q114 V129	L42-V131 HydrophobicContact CD1-CG2 3.65Å; I112-V131 HydrophobicContact CB-CG1 4.16Å; I112-V131 HydrophobicContact CG2-CG1 4.31Å; R113-V131 WeakPolarHBondContact O-CA 3.33Å; Q114-V131 HydrophobicContact CB-CG2 4.13Å; Q114-V131 HydrophobicContact CG-CG2 4.08Å; V129-V131 HydrophobicContact CG1-CG2 4.47Å
132	E	80.2	Confident	65.1	Low	81 Å²	81	84.7 Å²	84.7	38%	0.379	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.4	-178.5	-63.5	164.7	-174.3	0	0	108.9	I112 R113	I112-E132 CarbonylContact C-O 3.45Å; I112-E132 WeakPolarHBondContact CA-O 3.27Å; R113-E132 HydrophobicContact CB-CB 4.36Å; R113-E132 WeakPolarHBondContact CD-OE2 3.32Å; R113-E132 IonicContact CZ-OE2 3.02Å; R113-E132 PolarHBondContact N-O 3.19Å; R113-E132 IonicContact NE-OE2 2.72Å; R113-E132 IonicContact NH1-OE1 2.82Å; R113-E132 IonicContact NH1-OE2 3.63Å; R113-E132 PolarHBondContact NH1-OE2 3.47Å; R113-E132 PolarHBondContact O-N 3.4Å
133	E	77.8	Confident	63.1	Low	172 Å²	172	78.3 Å²	78.3	80%	0.804	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	143.7	167.7	-69.9	-176.8	160.2	0	0	110.3	I112	I112-E133 HydrophobicContact CG2-CG 4.41Å
134	L	65.1	Low	60.9	Low	64 Å²	64	79.7 Å²	79.7	34%	0.335	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-92.6	119.1	-178.8	-72.3	164	0	0	0	110.8	V106 R111 R113	V106-L134 HydrophobicContact CG1-CD1 3.64Å; R111-L134 PolarHBondContact O-N 3.45Å; R113-L134 HydrophobicContact CB-CD2 4.31Å; R113-L134 HydrophobicContact CB-CG 4.33Å
135	N	57.2	Low	58.7	Low	154 Å²	154	76.6 Å²	76.6	82%	0.824	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-75.4	152.8	175.7	-79.5	-16.5	0	0	0	112.7	Q137	N135-Q137 PolarHBondContact O-N 2.95Å
136	D	46.6	Very low	56.2	Low	125 Å²	125	78.5 Å²	78.5	67%	0.668	44%	0.436	S	S	*	.	S	Bend	trans	-70.5	22	-163.9	-109.7	-33.9	0	0	0	117.2	R111	R111-D136 IonicContact CZ-OD1 2.87Å; R111-D136 VanDerWaalsContact CZ-OD1 3.22Å; R111-D136 IonicContact CZ-OD2 3.43Å; R111-D136 IonicContact NH1-OD1 3.67Å; R111-D136 PolarHBondContact NH1-OD1 2.86Å; R111-D136 IonicContact NH1-OD2 3.88Å; R111-D136 PolarHBondContact NH1-OD2 3.44Å; R111-D136 IonicContact NH2-OD1 3.92Å; R111-D136 PolarHBondContact NH2-OD1 3.49Å; R111-D136 IonicContact NH2-OD2 2.97Å
137	Q	39.2	Very low	53.6	Low	176 Å²	176	79.1 Å²	79.1	82%	0.822	44%	0.438	S	S	*	.	S	Bend	trans	-117.5	121.2	-179.4	-68.2	-173	-10.7	0	0	112.2	N135	N135-Q137 PolarHBondContact O-N 2.95Å
138	S	31.6	Very low	50.7	Low	116 Å²	116	88.7 Å²	88.7	81%	0.811	48%	0.476	S	S	*	.			trans	70.3	89.8	175.7	68.5	0	0	0	0	118.1
139	V	32.4	Very low	48.1	Very low	103 Å²	103	90.1 Å²	90.1	62%	0.624	47%	0.474	S	S	*	.			trans	-139.6	110.4	152.1	-173.4	0	0	0	0	109.1	Y108	Y108-V139 HydrophobicContact CD1-CG1 4.31Å; Y108-V139 HydrophobicContact CD1-CG2 4.42Å; Y108-V139 HydrophobicContact CE1-CG1 4.22Å; Y108-V139 HydrophobicContact CE1-CG2 4.38Å
140	D	29.3	Very low	45.3	Very low	99 Å²	99	94 Å²	94	53%	0.529	49%	0.493	S	S	.	.			trans	-162.5	138.7	-161.7	-117.6	6.8	0	0	0	105.7	S220 N221	D140-S220 CarbonylContact O-C 3.57Å; D140-S220 VanDerWaalsContact O-CA 3.28Å; D140-S220 WeakPolarHBondContact O-CA 3.33Å; D140-N221 VanDerWaalsContact C-CA 3.49Å; D140-N221 HydrophobicContact CB-CB 3.76Å; D140-N221 WeakPolarHBondContact CB-OD1 3.32Å; D140-N221 PolarHBondContact O-N 3.22Å; D140-N221 PolarHBondContact OD2-ND2 2.95Å
141	M	29.2	Very low	42.6	Very low	121 Å²	121	96.3 Å²	96.3	60%	0.596	51%	0.507	S	S	*	.			trans	-127.5	129.7	-160.3	-69.6	176.1	-77.4	0	0	121.8	F219 S220 N221 I222	M141-F219 HydrophobicContact CG-CB 4.44Å; M141-S220 VanDerWaalsContact C-C 3.47Å; M141-N221 VanDerWaalsContact C-C 3.47Å; M141-N221 VanDerWaalsContact CA-CA 3.47Å; M141-N221 VanDerWaalsContact N-CA 3.27Å; M141-N221 PolarHBondContact N-OD1 3.42Å; M141-N221 CarbonylContact O-C 3.6Å; M141-I222 VanDerWaalsContact C-N 3.35Å; M141-I222 PolarHBondContact O-N 3.28Å
142	M	28.3	Very low	40.1	Very low	75 Å²	75	101 Å²	101	37%	0.369	53%	0.529	S	S	.	.			trans	-161	-175.8	178.5	179.8	167.1	-179.7	0	0	109.7	F219 S220 N221 I222	M142-F219 CarbonylContact O-C 3.44Å; M142-F219 WeakPolarHBondContact O-CA 3.3Å; M142-S220 CarbonylContact C-O 3.53Å; M142-S220 VanDerWaalsContact C-O 3.23Å; M142-S220 VanDerWaalsContact CA-O 3.27Å; M142-S220 WeakPolarHBondContact CA-O 3.21Å; M142-S220 WeakPolarHBondContact CB-O 3.37Å; M142-S220 PolarHBondContact N-O 2.79Å; M142-S220 VanDerWaalsContact N-O 3.07Å; M142-S220 CarbonylContact O-C 3.58Å; M142-S220 PolarHBondContact O-N 3.4Å; M142-N221 WeakPolarHBondContact CB-O 3.24Å; M142-N221 VanDerWaalsContact SD-O 3.36Å; M142-I222 HydrophobicContact CB-CB 4.37Å; M142-I222 HydrophobicContact CB-CD1 4.45Å; M142-I222 HydrophobicContact CB-CG1 3.41Å; M142-I222 VanDerWaalsContact CB-CG1 3.41Å; M142-I222 HydrophobicContact CG-CD1 4.31Å; M142-I222 HydrophobicContact CG-CG1 3.58Å; M142-I222 HydrophobicContact SD-CG1 3.81Å
143	L	36	Very low	37.7	Very low	28 Å²	28	98.8 Å²	98.8	15%	0.147	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-115.3	121.7	-168.4	-151.6	60.7	0	0	0	112.6	D192 V194 V217 I218	L143-D192 VanDerWaalsContact CD2-O 3.3Å; L143-D192 WeakPolarHBondContact CD2-O 3.36Å; L143-V194 HydrophobicContact CD2-CB 3.82Å; L143-V194 HydrophobicContact CD2-CG2 3.99Å; L143-V217 HydrophobicContact CD1-CG1 3.63Å; L143-I218 WeakPolarHBondContact CD1-O 3.41Å
144	T	31.2	Very low	35.6	Very low	62 Å²	62	98.8 Å²	98.8	38%	0.38	53%	0.527	S	S	.	.			trans	-148.8	112.1	164.8	-71.5	0	0	0	0	111.2
145	T	35.5	Very low	34.1	Very low	22 Å²	22	99.8 Å²	99.8	14%	0.135	53%	0.531	C	S	.	.			trans	-90.4	122.2	168.8	-61.1	0	0	0	0	109	K189 V215	T145-K189 WeakPolarHBondContact O-CG 3.29Å; T145-V215 HydrophobicContact CG2-CG1 4.34Å
146	T	34.5	Very low	32.9	Very low	41 Å²	41	96.3 Å²	96.3	25%	0.252	52%	0.516	S	S	.	.			trans	-126.3	118.7	171.5	-54.9	0	0	0	0	108.4	Y148 K189	T146-Y148 HydrophobicContact CG2-CD2 4.42Å; T146-Y148 HydrophobicContact CG2-CE1 4.26Å; T146-Y148 HydrophobicContact CG2-CE2 4.11Å; T146-Y148 WeakPolarHBondContact O-CD2 3.04Å; T146-Y148 PolarHBondContact O-N 3.34Å; T146-K189 WeakPolarHBondContact OG1-CE 3.25Å
147	V	33.2	Very low	32.4	Very low	44 Å²	44	97.6 Å²	97.6	27%	0.267	52%	0.523	S	S	.	.			trans	-85.5	107.2	173	-174.4	0	0	0	0	107.4	F149	V147-F149 HydrophobicContact CB-CE2 3.91Å; V147-F149 HydrophobicContact CB-CZ 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.32Å; V147-F149 HydrophobicContact CG1-CE1 4.22Å; V147-F149 HydrophobicContact CG1-CE2 3.56Å; V147-F149 HydrophobicContact CG1-CZ 3.51Å; V147-F149 WeakPolarHBondContact O-CD2 3.18Å; V147-F149 WeakPolarHBondContact O-CE2 3.38Å
148	Y	29.5	Very low	32.4	Very low	203 Å²	203	89.6 Å²	89.6	80%	0.796	49%	0.487	S	S	*	.			trans	-78.6	130.6	177.4	-67	-88.4	0	0	0	110.5	T146	T146-Y148 HydrophobicContact CG2-CD2 4.42Å; T146-Y148 HydrophobicContact CG2-CE1 4.26Å; T146-Y148 HydrophobicContact CG2-CE2 4.11Å; T146-Y148 WeakPolarHBondContact O-CD2 3.04Å; T146-Y148 PolarHBondContact O-N 3.34Å
149	F	32.2	Very low	32.9	Very low	59 Å²	59	88.4 Å²	88.4	26%	0.259	47%	0.469	S	S	.	.			trans	-115.3	128.4	171.7	-63.1	-87.1	0	0	0	108.8	V147 I155 F187 Y188	V147-F149 HydrophobicContact CB-CE2 3.91Å; V147-F149 HydrophobicContact CB-CZ 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.32Å; V147-F149 HydrophobicContact CG1-CE1 4.22Å; V147-F149 HydrophobicContact CG1-CE2 3.56Å; V147-F149 HydrophobicContact CG1-CZ 3.51Å; V147-F149 WeakPolarHBondContact O-CD2 3.18Å; V147-F149 WeakPolarHBondContact O-CE2 3.38Å; F149-I155 HydrophobicContact CE1-CG2 4.31Å; F149-F187 HydrophobicContact CD2-CB 4.28Å; F149-Y188 HydrophobicContact CE2-CD2 4.38Å
150	L	30.5	Very low	33.6	Very low	110 Å²	110	84.9 Å²	84.9	58%	0.576	45%	0.448	S	S	*	.			trans	-85.9	141.2	170.3	-76.2	163.6	0	0	0	109.3	V72 N152 S153	V72-L150 WeakPolarHBondContact O-CD1 3.5Å; L150-N152 PolarHBondContact O-N 3.11Å; L150-S153 PolarHBondContact O-N 2.89Å; L150-S153 VanDerWaalsContact O-N 3.08Å; L150-S153 PolarHBondContact O-OG 3.23Å
151	P	29.3	Very low	34.5	Very low	105 Å²	105	88.5 Å²	88.5	68%	0.682	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.6	-170	22.5	-34	0	0	0	114.9	T156	P151-T156 WeakPolarHBondContact O-CG2 3.48Å
152	N	32.9	Very low	35.4	Very low	160 Å²	160	88.5 Å²	88.5	86%	0.856	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	21	-179.7	-64.1	-2.1	0	0	0	113.3	L150	L150-N152 PolarHBondContact O-N 3.11Å
153	S	30.7	Very low	36.5	Very low	36 Å²	36	85.4 Å²	85.4	25%	0.252	44%	0.444	S	S	.	.	S	Bend	trans	-78.2	145.8	171.2	78.1	0	0	0	0	111.3	L150 I155 T156	L150-S153 PolarHBondContact O-N 2.89Å; L150-S153 VanDerWaalsContact O-N 3.08Å; L150-S153 PolarHBondContact O-OG 3.23Å; S153-I155 PolarHBondContact O-N 3.49Å; S153-T156 WeakPolarHBondContact O-CG2 3.43Å; S153-T156 PolarHBondContact O-N 2.9Å; S153-T156 PolarHBondContact O-OG1 3.17Å; S153-T156 VanDerWaalsContact O-OG1 3.09Å
154	I	33.8	Very low	37.3	Very low	172 Å²	172	86.8 Å²	86.8	88%	0.882	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.7	176.4	-57.9	168.6	0	0	0	111.8
155	I	34.3	Very low	38.2	Very low	84 Å²	84	84.1 Å²	84.1	43%	0.431	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-3	-177.7	-53.3	175.9	0	0	0	111.5	F149 S153 N157 G158 I208	F149-I155 HydrophobicContact CE1-CG2 4.31Å; S153-I155 PolarHBondContact O-N 3.49Å; I155-N157 PolarHBondContact O-N 2.95Å; I155-N157 VanDerWaalsContact O-N 3.1Å; I155-G158 PolarHBondContact O-N 3.41Å; I155-I208 HydrophobicContact CG2-CG2 4.32Å
156	T	30.9	Very low	38.9	Very low	81 Å²	81	86.6 Å²	86.6	50%	0.497	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32	178.1	44.2	0	0	0	0	114.4	P151 S153 G158	P151-T156 WeakPolarHBondContact O-CG2 3.48Å; S153-T156 WeakPolarHBondContact O-CG2 3.43Å; S153-T156 PolarHBondContact O-N 2.9Å; S153-T156 PolarHBondContact O-OG1 3.17Å; S153-T156 VanDerWaalsContact O-OG1 3.09Å; T156-G158 VanDerWaalsContact C-N 3.32Å
157	N	35.3	Very low	39.6	Very low	152 Å²	152	84.8 Å²	84.8	81%	0.813	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	6.3	178.2	-66.2	-8.1	0	0	0	113.8	I155	I155-N157 PolarHBondContact O-N 2.95Å; I155-N157 VanDerWaalsContact O-N 3.1Å
158	G	40.5	Very low	40.2	Very low	8 Å²	8	86.4 Å²	86.4	8%	0.082	44%	0.441	C	S	.	.			trans	-87.1	109.5	178.8	0	0	0	0	0	112.5	I155 T156 V160	I155-G158 PolarHBondContact O-N 3.41Å; T156-G158 VanDerWaalsContact C-N 3.32Å; G158-V160 PolarHBondContact O-N 2.82Å
159	E	42.2	Very low	40.9	Very low	91 Å²	91	78.3 Å²	78.3	43%	0.425	41%	0.411	S	S	.	.			trans	-66.1	124	165.9	-68.1	-174	126.1	0	0	110.4	R161	E159-R161 VanDerWaalsContact C-N 3.35Å; E159-R161 HydrophobicContact CB-CG 3.99Å; E159-R161 PolarHBondContact O-N 2.71Å; E159-R161 IonicContact OE2-CZ 3.87Å; E159-R161 IonicContact OE2-NE 2.8Å; E159-R161 PolarHBondContact OE2-NE 2.87Å; E159-R161 IonicContact OE2-NH2 3.18Å; E159-R161 PolarHBondContact OE2-NH2 3.32Å; E159-R161 VanDerWaalsContact OE2-NH2 3.14Å
160	V	46.7	Very low	41.4	Very low	30 Å²	30	77.6 Å²	77.6	18%	0.182	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	94.1	163.8	-178.1	0	0	0	0	107.4	G158 Y188 I208	G158-V160 PolarHBondContact O-N 2.82Å; V160-Y188 HydrophobicContact CB-CD1 3.78Å; V160-Y188 HydrophobicContact CB-CD2 4.21Å; V160-Y188 HydrophobicContact CB-CE1 4.1Å; V160-Y188 HydrophobicContact CB-CG 3.83Å; V160-Y188 HydrophobicContact CG2-CD1 4Å; V160-Y188 HydrophobicContact CG2-CD2 3.54Å; V160-Y188 HydrophobicContact CG2-CE1 4.47Å; V160-Y188 HydrophobicContact CG2-CE2 4.07Å; V160-Y188 HydrophobicContact CG2-CG 3.51Å; V160-I208 HydrophobicContact CG2-CD1 4.48Å; V160-I208 HydrophobicContact CG2-CG1 4.26Å
161	R	48.1	Very low	41.9	Very low	175 Å²	175	77.8 Å²	77.8	66%	0.66	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	-26.4	-172.6	-70.8	-170.8	171.8	-177.5	-1.3	114	E159 K207	E159-R161 VanDerWaalsContact C-N 3.35Å; E159-R161 HydrophobicContact CB-CG 3.99Å; E159-R161 PolarHBondContact O-N 2.71Å; E159-R161 IonicContact OE2-CZ 3.87Å; E159-R161 IonicContact OE2-NE 2.8Å; E159-R161 PolarHBondContact OE2-NE 2.87Å; E159-R161 IonicContact OE2-NH2 3.18Å; E159-R161 PolarHBondContact OE2-NH2 3.32Å; E159-R161 VanDerWaalsContact OE2-NH2 3.14Å; R161-K207 PolarHBondContact N-O 3.38Å
162	N	47.8	Very low	42.3	Very low	120 Å²	120	74.5 Å²	74.5	64%	0.642	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.8	144	175.2	-87	-41.4	0	0	0	109.9	K207	N162-K207 WeakPolarHBondContact O-CB 3.45Å; N162-K207 PolarHBondContact O-N 3.46Å
163	G	51.1	Low	42.7	Very low	11 Å²	11	70.3 Å²	70.3	11%	0.113	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	142.8	174.5	0	0	0	0	0	111.2	F205	G163-F205 WeakPolarHBondContact CA-O 3.16Å
164	T	52.7	Low	43.7	Very low	57 Å²	57	74.4 Å²	74.4	35%	0.35	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	130.6	-174.7	-50.3	0	0	0	0	110.5	H166 F205	T164-H166 VanDerWaalsContact CG2-CE1 3.45Å; T164-H166 WeakPolarHBondContact CG2-CE1 3.45Å; T164-F205 PolarHBondContact N-O 2.91Å; T164-F205 PolarHBondContact O-N 2.67Å
165	C	50.5	Low	44.4	Very low	5 Å²	5	69.7 Å²	69.7	3%	0.034	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.3	165.7	-61.5	0	0	0	0	110.3	K179 D192 C204	C165-K179 PolarHBondContact O-NZ 2.82Å; C165-D192 HydrophobicContact CB-CB 3.76Å; C165-D192 VanDerWaalsContact CB-OD2 3.27Å; C165-D192 WeakPolarHBondContact CB-OD2 3.35Å; C165-C204 HydrophobicContact CB-CB 4.11Å; C165-C204 WeakPolarHBondContact CB-SG 3.13Å; C165-C204 WeakPolarHBondContact SG-CB 3.3Å; C165-C204 CovalentContact SG-SG 2.05Å; C165-C204 PolarHBondContact SG-SG 2.93Å
166	H	49.7	Very low	45.1	Very low	75 Å²	75	71.8 Å²	71.8	35%	0.347	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	174.8	-67.8	97.5	0	0	0	108.4	T164 F174 E203 F205	T164-H166 VanDerWaalsContact CG2-CE1 3.45Å; T164-H166 WeakPolarHBondContact CG2-CE1 3.45Å; H166-F174 HydrophobicContact CB-CD1 4.36Å; H166-E203 PolarHBondContact N-O 3.07Å; H166-E203 PolarHBondContact O-N 3.33Å; H166-F205 AromaticContact ND1-CD2 3.94Å
167	S	50.5	Low	46	Very low	3 Å²	3	68.7 Å²	68.7	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	105.1	-178.5	-69	0	0	0	0	108.1	F174 Y175 V194 H202	S167-F174 CarbonylContact O-C 3.58Å; S167-F174 WeakPolarHBondContact O-CA 3.36Å; S167-Y175 PolarHBondContact O-N 3.43Å; S167-V194 WeakPolarHBondContact OG-CG2 3.44Å; S167-H202 VanDerWaalsContact CB-ND1 3.29Å; S167-H202 WeakPolarHBondContact CB-ND1 3.49Å; S167-H202 PolarHBondContact OG-ND1 2.83Å
168	Q	44.2	Very low	46.5	Very low	77 Å²	77	67.9 Å²	67.9	36%	0.36	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.9	178.9	-166.9	176	20.7	0	0	109.4	G172 T173 F174 G200 K201	Q168-G172 PolarHBondContact NE2-O 3.26Å; Q168-T173 WeakPolarHBondContact CA-O 3.33Å; Q168-F174 HydrophobicContact CB-CD1 4.24Å; Q168-F174 HydrophobicContact CB-CE1 4.09Å; Q168-F174 HydrophobicContact CG-CD1 4.49Å; Q168-F174 HydrophobicContact CG-CE1 4.2Å; Q168-G200 CarbonylContact O-C 3.55Å; Q168-G200 WeakPolarHBondContact O-CA 3.25Å; Q168-K201 PolarHBondContact N-O 3.27Å; Q168-K201 PolarHBondContact O-N 2.87Å
169	L	45.4	Very low	46.9	Very low	34 Å²	34	71.3 Å²	71.3	18%	0.178	37%	0.373	C	S	.	.			trans	-74.8	156.5	174.7	-66.9	165.5	0	0	0	110	N171 G172 T173 T197	L169-N171 WeakPolarHBondContact CB-OD1 3.01Å; L169-N171 PolarHBondContact O-N 3.43Å; L169-G172 WeakPolarHBondContact O-CA 3.33Å; L169-G172 PolarHBondContact O-N 3.26Å; L169-T173 WeakPolarHBondContact CB-O 3.4Å; L169-T173 WeakPolarHBondContact CD1-OG1 3.28Å; L169-T173 PolarHBondContact N-O 2.93Å; L169-T197 WeakPolarHBondContact CD2-OG1 3.36Å
170	G	42.3	Very low	47.4	Very low	44 Å²	44	72 Å²	72	45%	0.454	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.1	-178	0	0	0	0	0	115.2	G172 M199	G170-G172 VanDerWaalsContact C-N 3.29Å; G170-M199 VanDerWaalsContact CA-O 3.26Å; G170-M199 WeakPolarHBondContact CA-O 3.4Å; G170-M199 PolarHBondContact N-O 3.4Å
171	N	40.9	Very low	47.6	Very low	113 Å²	113	76.1 Å²	76.1	60%	0.604	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	6.8	170.3	66	-0.6	0	0	0	113.4	L169 T173	L169-N171 WeakPolarHBondContact CB-OD1 3.01Å; L169-N171 PolarHBondContact O-N 3.43Å; N171-T173 PolarHBondContact O-N 2.86Å; N171-T173 PolarHBondContact OD1-N 3.07Å; N171-T173 VanDerWaalsContact OD1-N 3.08Å; N171-T173 PolarHBondContact OD1-OG1 3.21Å
172	G	38	Very low	47.8	Very low	37 Å²	37	74.1 Å²	74.1	38%	0.381	39%	0.393	S	S	.	.	S	Bend	trans	83.9	-6.8	-179.4	0	0	0	0	0	116	Q168 L169 G170	Q168-G172 PolarHBondContact NE2-O 3.26Å; L169-G172 WeakPolarHBondContact O-CA 3.33Å; L169-G172 PolarHBondContact O-N 3.26Å; G170-G172 VanDerWaalsContact C-N 3.29Å
173	T	41.5	Very low	47.8	Very low	71 Å²	71	75 Å²	75	44%	0.436	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-83.2	155.1	-178	71.8	0	0	0	0	112.7	Q168 L169 N171	Q168-T173 WeakPolarHBondContact CA-O 3.33Å; L169-T173 WeakPolarHBondContact CB-O 3.4Å; L169-T173 WeakPolarHBondContact CD1-OG1 3.28Å; L169-T173 PolarHBondContact N-O 2.93Å; N171-T173 PolarHBondContact O-N 2.86Å; N171-T173 PolarHBondContact OD1-N 3.07Å; N171-T173 VanDerWaalsContact OD1-N 3.08Å; N171-T173 PolarHBondContact OD1-OG1 3.21Å
174	F	51.2	Low	47.6	Very low	123 Å²	123	77.1 Å²	77.1	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.4	178.7	-63.3	-79.2	0	0	0	111.4	H166 S167 Q168	H166-F174 HydrophobicContact CB-CD1 4.36Å; S167-F174 CarbonylContact O-C 3.58Å; S167-F174 WeakPolarHBondContact O-CA 3.36Å; Q168-F174 HydrophobicContact CB-CD1 4.24Å; Q168-F174 HydrophobicContact CB-CE1 4.09Å; Q168-F174 HydrophobicContact CG-CD1 4.49Å; Q168-F174 HydrophobicContact CG-CE1 4.2Å
175	Y	48	Very low	47.3	Very low	72 Å²	72	82.3 Å²	82.3	28%	0.282	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.3	170.5	-179.5	-86.7	0	0	0	110.3	S167 G177 V194	S167-Y175 PolarHBondContact O-N 3.43Å; Y175-G177 VanDerWaalsContact CE1-CA 3.44Å; Y175-V194 HydrophobicContact CD1-CB 4.41Å; Y175-V194 HydrophobicContact CD1-CG1 3.7Å; Y175-V194 HydrophobicContact CD1-CG2 4.37Å; Y175-V194 HydrophobicContact CE1-CB 4.24Å; Y175-V194 HydrophobicContact CE1-CG1 3.84Å; Y175-V194 HydrophobicContact CE1-CG2 4.41Å; Y175-V194 HydrophobicContact CG-CG1 4.42Å
176	N	49.3	Very low	46.8	Very low	129 Å²	129	89.3 Å²	89.3	69%	0.69	46%	0.458	S	S	*	.			trans	-98	93.4	173.5	-76.1	-33.8	0	0	0	109.4
177	G	50	Low	46.5	Very low	16 Å²	16	88.6 Å²	88.6	17%	0.165	45%	0.454	C	S	.	.			trans	-74.8	174.8	171.3	0	0	0	0	0	113	Y175 K179 D192	Y175-G177 VanDerWaalsContact CE1-CA 3.44Å; G177-K179 PolarHBondContact O-N 3.47Å; G177-D192 WeakPolarHBondContact CA-OD1 3.45Å
178	E	45.3	Very low	46.3	Very low	135 Å²	135	91 Å²	91	63%	0.631	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	118	175.1	-166.3	174	-142	0	0	109.4	K193	E178-K193 PolarHBondContact O-N 3.36Å; E178-K193 VanDerWaalsContact O-N 3.14Å
179	K	49.3	Very low	46.5	Very low	80 Å²	80	89.9 Å²	89.9	35%	0.348	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.9	-169.1	-67.6	175.9	-165.8	-172.4	0	111.5	C165 G177 T191 D192	C165-K179 PolarHBondContact O-NZ 2.82Å; G177-K179 PolarHBondContact O-N 3.47Å; K179-T191 WeakPolarHBondContact CA-O 3.31Å; K179-D192 VanDerWaalsContact CE-OD2 3.24Å; K179-D192 WeakPolarHBondContact CE-OD2 3.26Å; K179-D192 HydrophobicContact CG-CB 4.33Å
180	N	52.9	Low	46.8	Very low	106 Å²	106	89.2 Å²	89.2	57%	0.567	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.3	176.6	-79.3	-37.6	0	0	0	111.2	T191	N180-T191 PolarHBondContact N-O 3.22Å; N180-T191 PolarHBondContact O-N 2.98Å
181	I	50.7	Low	47	Very low	116 Å²	116	88.7 Å²	88.7	60%	0.595	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.1	172.7	-57	176.1	0	0	0	107.7
182	Y	51.9	Low	47.3	Very low	133 Å²	133	83.8 Å²	83.8	52%	0.522	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.7	175.5	-177	-92.2	0	0	0	109.9	N184 F187 K189	Y182-N184 HydrophobicContact CE1-CB 3.86Å; Y182-F187 AromaticContact CD1-CE2 3.69Å; Y182-F187 HydrophobicContact CD1-CE2 3.69Å; Y182-F187 HydrophobicContact CD1-CZ 4.15Å; Y182-F187 AromaticContact CE1-CE2 3.79Å; Y182-F187 HydrophobicContact CE1-CE2 3.79Å; Y182-F187 AromaticContact CE1-CZ 3.75Å; Y182-F187 HydrophobicContact CE1-CZ 3.75Å; Y182-K189 PolarHBondContact N-O 3.5Å; Y182-K189 PolarHBondContact O-N 3.46Å
183	K	47.6	Very low	47.6	Very low	137 Å²	137	87.3 Å²	87.3	60%	0.596	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.6	178.8	-178.7	178.6	-178.7	177.5	0	109.2	Y188	K183-Y188 HydrophobicContact CD-CE1 4.19Å; K183-Y188 HydrophobicContact CG-CD1 4.38Å; K183-Y188 HydrophobicContact CG-CE1 3.98Å
184	N	48.4	Very low	47.8	Very low	57 Å²	57	84.8 Å²	84.8	31%	0.305	40%	0.404	S	S	.	.			trans	-120.8	166	164.4	-172.4	15.2	0	0	0	108.7	Y182 E186 F187	Y182-N184 HydrophobicContact CE1-CB 3.86Å; N184-E186 PolarHBondContact O-N 2.97Å; N184-E186 VanDerWaalsContact O-N 3.17Å; N184-F187 HydrophobicContact CB-CD1 4.35Å; N184-F187 HydrophobicContact CB-CE1 4.11Å; N184-F187 HydrophobicContact CB-CZ 4.27Å; N184-F187 PolarHBondContact N-O 3.03Å; N184-F187 VanDerWaalsContact N-O 3.15Å
185	N	46.5	Very low	47.4	Very low	165 Å²	165	83 Å²	83	88%	0.882	40%	0.403	S	S	*	.	S	Bend	trans	-62.2	-20.3	178.2	-69.1	-13.5	0	0	0	113.2
186	E	39.2	Very low	47.1	Very low	152 Å²	152	84.1 Å²	84.1	71%	0.71	42%	0.42	S	S	*	.	S	Bend	trans	-104.8	-23.3	-175.3	-61.6	-178.7	152.6	0	0	114.2	N184	N184-E186 PolarHBondContact O-N 2.97Å; N184-E186 VanDerWaalsContact O-N 3.17Å
187	F	43.9	Very low	46.5	Very low	61 Å²	61	81.5 Å²	81.5	27%	0.268	41%	0.408	S	S	.	.			trans	-156.9	155.1	-175.5	64.4	-92.1	0	0	0	114	F149 Y182 N184 K189	F149-F187 HydrophobicContact CD2-CB 4.28Å; Y182-F187 AromaticContact CD1-CE2 3.69Å; Y182-F187 HydrophobicContact CD1-CE2 3.69Å; Y182-F187 HydrophobicContact CD1-CZ 4.15Å; Y182-F187 AromaticContact CE1-CE2 3.79Å; Y182-F187 HydrophobicContact CE1-CE2 3.79Å; Y182-F187 AromaticContact CE1-CZ 3.75Å; Y182-F187 HydrophobicContact CE1-CZ 3.75Å; N184-F187 HydrophobicContact CB-CD1 4.35Å; N184-F187 HydrophobicContact CB-CE1 4.11Å; N184-F187 HydrophobicContact CB-CZ 4.27Å; N184-F187 PolarHBondContact N-O 3.03Å; N184-F187 VanDerWaalsContact N-O 3.15Å; F187-K189 HydrophobicContact CD2-CB 4.2Å; F187-K189 HydrophobicContact CE2-CB 4.23Å
188	Y	45	Very low	46	Very low	52 Å²	52	88.2 Å²	88.2	20%	0.204	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.5	170.9	-65.8	-89.8	0	0	0	109.6	F149 V160 K183	F149-Y188 HydrophobicContact CE2-CD2 4.38Å; V160-Y188 HydrophobicContact CB-CD1 3.78Å; V160-Y188 HydrophobicContact CB-CD2 4.21Å; V160-Y188 HydrophobicContact CB-CE1 4.1Å; V160-Y188 HydrophobicContact CB-CG 3.83Å; V160-Y188 HydrophobicContact CG2-CD1 4Å; V160-Y188 HydrophobicContact CG2-CD2 3.54Å; V160-Y188 HydrophobicContact CG2-CE1 4.47Å; V160-Y188 HydrophobicContact CG2-CE2 4.07Å; V160-Y188 HydrophobicContact CG2-CG 3.51Å; K183-Y188 HydrophobicContact CD-CE1 4.19Å; K183-Y188 HydrophobicContact CG-CD1 4.38Å; K183-Y188 HydrophobicContact CG-CE1 3.98Å
189	K	49.2	Very low	45.8	Very low	54 Å²	54	85 Å²	85	24%	0.235	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	178.5	-179.1	179.8	179.4	179.6	0	110.4	T145 T146 Y182 F187 T191	T145-K189 WeakPolarHBondContact O-CG 3.29Å; T146-K189 WeakPolarHBondContact OG1-CE 3.25Å; Y182-K189 PolarHBondContact N-O 3.5Å; Y182-K189 PolarHBondContact O-N 3.46Å; F187-K189 HydrophobicContact CD2-CB 4.2Å; F187-K189 HydrophobicContact CE2-CB 4.23Å; K189-T191 WeakPolarHBondContact CE-OG1 3.47Å
190	I	51.4	Low	45.3	Very low	21 Å²	21	82.5 Å²	82.5	11%	0.108	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.3	173.1	-59.3	164.7	0	0	0	106.9	A206	I190-A206 HydrophobicContact CD1-CB 4.09Å
191	T	47.7	Very low	44.8	Very low	33 Å²	33	83.2 Å²	83.2	20%	0.202	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	177.1	-36.6	0	0	0	0	108.5	K179 N180 K189	K179-T191 WeakPolarHBondContact CA-O 3.31Å; N180-T191 PolarHBondContact N-O 3.22Å; N180-T191 PolarHBondContact O-N 2.98Å; K189-T191 WeakPolarHBondContact CE-OG1 3.47Å
192	D	45.9	Very low	44.8	Very low	9 Å²	9	80 Å²	80	5%	0.048	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.3	168.8	-167.4	-17	0	0	0	106.7	L143 C165 G177 K179 V194	L143-D192 VanDerWaalsContact CD2-O 3.3Å; L143-D192 WeakPolarHBondContact CD2-O 3.36Å; C165-D192 HydrophobicContact CB-CB 3.76Å; C165-D192 VanDerWaalsContact CB-OD2 3.27Å; C165-D192 WeakPolarHBondContact CB-OD2 3.35Å; G177-D192 WeakPolarHBondContact CA-OD1 3.45Å; K179-D192 VanDerWaalsContact CE-OD2 3.24Å; K179-D192 WeakPolarHBondContact CE-OD2 3.26Å; K179-D192 HydrophobicContact CG-CB 4.33Å; D192-V194 HydrophobicContact CB-CG2 4.47Å
193	K	45.4	Very low	44.5	Very low	111 Å²	111	76.9 Å²	76.9	48%	0.483	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.3	178.4	-174.1	-179.4	178.2	-176.7	0	108.8	E178	E178-K193 PolarHBondContact O-N 3.36Å; E178-K193 VanDerWaalsContact O-N 3.14Å
194	V	44.5	Very low	44.6	Very low	18 Å²	18	71 Å²	71	11%	0.109	37%	0.365	C	S	.	.			trans	-116.3	130.5	-175.3	-172.4	0	0	0	0	110.5	L143 S167 Y175 D192 P196 H202	L143-V194 HydrophobicContact CD2-CB 3.82Å; L143-V194 HydrophobicContact CD2-CG2 3.99Å; S167-V194 WeakPolarHBondContact OG-CG2 3.44Å; Y175-V194 HydrophobicContact CD1-CB 4.41Å; Y175-V194 HydrophobicContact CD1-CG1 3.7Å; Y175-V194 HydrophobicContact CD1-CG2 4.37Å; Y175-V194 HydrophobicContact CE1-CB 4.24Å; Y175-V194 HydrophobicContact CE1-CG1 3.84Å; Y175-V194 HydrophobicContact CE1-CG2 4.41Å; Y175-V194 HydrophobicContact CG-CG1 4.42Å; D192-V194 HydrophobicContact CB-CG2 4.47Å; V194-P196 WeakPolarHBondContact O-CD 3.33Å; V194-H202 WeakPolarHBondContact CG1-CE1 3.5Å
195	V	43.7	Very low	44.6	Very low	85 Å²	85	71 Å²	71	52%	0.515	36%	0.362	S	S	.	.			trans	-84.2	115.7	168.5	-179.6	0	0	0	0	107.9	T197	V195-T197 PolarHBondContact O-N 2.85Å
196	P	41.3	Very low	44.9	Very low	97 Å²	97	63.6 Å²	63.6	63%	0.63	32%	0.323	S	S	*	.			trans	-69.6	105.4	173.7	28.6	-32.6	0	0	0	109	V194	V194-P196 WeakPolarHBondContact O-CD 3.33Å
197	T	37.1	Very low	45.3	Very low	73 Å²	73	59.2 Å²	59.2	45%	0.448	30%	0.302	S	S	.	.			trans	-88.6	159.3	159.1	63.3	0	0	0	0	108.6	L169 V195 M199 G200	L169-T197 WeakPolarHBondContact CD2-OG1 3.36Å; V195-T197 PolarHBondContact O-N 2.85Å; T197-M199 PolarHBondContact O-N 3.5Å; T197-G200 PolarHBondContact O-N 3Å
198	H	40.1	Very low	45.5	Very low	157 Å²	157	57.5 Å²	57.5	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-19.2	-148	-67.7	-88.5	0	0	0	118.9	H262	H198-H262 AromaticContact CE1-NE2 3.89Å; H198-H262 AromaticContact ND1-NE2 3.78Å
199	M	40.4	Very low	45.7	Very low	67 Å²	67	60.5 Å²	60.5	33%	0.33	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	51.6	-176.6	-60.4	-175.5	-178.8	0	0	113.6	G170 T197 A250 I261	G170-M199 VanDerWaalsContact CA-O 3.26Å; G170-M199 WeakPolarHBondContact CA-O 3.4Å; G170-M199 PolarHBondContact N-O 3.4Å; T197-M199 PolarHBondContact O-N 3.5Å; M199-A250 HydrophobicContact CE-CB 3.36Å; M199-A250 HydrophobicContact SD-CB 3.37Å; M199-A250 WeakPolarHBondContact SD-CB 3.35Å; M199-A250 VanDerWaalsContact SD-O 3.41Å; M199-I261 HydrophobicContact CE-CB 4.37Å; M199-I261 HydrophobicContact CE-CD1 3.55Å; M199-I261 HydrophobicContact CE-CG2 4Å
200	G	37.8	Very low	45.6	Very low	29 Å²	29	60.2 Å²	60.2	30%	0.299	33%	0.328	S	S	.	.			trans	-87.6	132.9	176.8	0	0	0	0	0	114.9	Q168 T197	Q168-G200 CarbonylContact O-C 3.55Å; Q168-G200 WeakPolarHBondContact O-CA 3.25Å; T197-G200 PolarHBondContact O-N 3Å
201	K	44.3	Very low	45.1	Very low	121 Å²	121	62.8 Å²	62.8	53%	0.526	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.4	164.2	-166	-164.3	-167.5	-160.2	0	109.3	Q168 E203	Q168-K201 PolarHBondContact N-O 3.27Å; Q168-K201 PolarHBondContact O-N 2.87Å; K201-E203 HydrophobicContact CD-CG 4.42Å; K201-E203 WeakPolarHBondContact CE-OE1 3.24Å; K201-E203 HydrophobicContact CG-CG 4.47Å; K201-E203 IonicContact NZ-OE1 3.62Å; K201-E203 PolarHBondContact NZ-OE1 3.21Å
202	H	48.8	Very low	44.9	Very low	49 Å²	49	68.2 Å²	68.2	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.1	-177.2	-57.4	-71.7	0	0	0	111.1	S167 V194 V217	S167-H202 VanDerWaalsContact CB-ND1 3.29Å; S167-H202 WeakPolarHBondContact CB-ND1 3.49Å; S167-H202 PolarHBondContact OG-ND1 2.83Å; V194-H202 WeakPolarHBondContact CG1-CE1 3.5Å; H202-V217 HydrophobicContact CB-CG2 4.29Å
203	E	47.1	Very low	44.7	Very low	67 Å²	67	72.5 Å²	72.5	31%	0.313	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120	-179	-64.1	-173.1	151.1	0	0	110.9	H166 K201 F205	H166-E203 PolarHBondContact N-O 3.07Å; H166-E203 PolarHBondContact O-N 3.33Å; K201-E203 HydrophobicContact CD-CG 4.42Å; K201-E203 WeakPolarHBondContact CE-OE1 3.24Å; K201-E203 HydrophobicContact CG-CG 4.47Å; K201-E203 IonicContact NZ-OE1 3.62Å; K201-E203 PolarHBondContact NZ-OE1 3.21Å; E203-F205 HydrophobicContact CB-CD2 4.49Å; E203-F205 HydrophobicContact CB-CE2 3.57Å; E203-F205 HydrophobicContact CB-CZ 3.81Å
204	C	49.4	Very low	44.4	Very low	13 Å²	13	72.2 Å²	72.2	9%	0.088	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	174.6	-72.8	0	0	0	0	111.2	C165 V215	C165-C204 HydrophobicContact CB-CB 4.11Å; C165-C204 WeakPolarHBondContact CB-SG 3.13Å; C165-C204 WeakPolarHBondContact SG-CB 3.3Å; C165-C204 CovalentContact SG-SG 2.05Å; C165-C204 PolarHBondContact SG-SG 2.93Å; C204-V215 HydrophobicContact CB-CB 4.26Å; C204-V215 PolarHBondContact O-N 2.74Å
205	F	49.1	Very low	44.2	Very low	57 Å²	57	73.4 Å²	73.4	25%	0.25	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.3	-179.8	-56.7	-94.8	0	0	0	110.3	G163 T164 H166 E203 Y213 V214	G163-F205 WeakPolarHBondContact CA-O 3.16Å; T164-F205 PolarHBondContact N-O 2.91Å; T164-F205 PolarHBondContact O-N 2.67Å; H166-F205 AromaticContact ND1-CD2 3.94Å; E203-F205 HydrophobicContact CB-CD2 4.49Å; E203-F205 HydrophobicContact CB-CE2 3.57Å; E203-F205 HydrophobicContact CB-CZ 3.81Å; F205-Y213 WeakPolarHBondContact CA-O 3.44Å; F205-V214 HydrophobicContact CD1-CG2 4Å; F205-V214 HydrophobicContact CE1-CG2 3.83Å
206	A	52.5	Low	43.9	Very low	9 Å²	9	72 Å²	72	7%	0.074	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.1	173.5	0	0	0	0	0	110.6	I190 Y213	I190-A206 HydrophobicContact CD1-CB 4.09Å; A206-Y213 PolarHBondContact N-O 3.32Å; A206-Y213 PolarHBondContact O-N 2.88Å
207	K	47.7	Very low	43.7	Very low	61 Å²	61	68.4 Å²	68.4	27%	0.265	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.9	178.6	-166.8	179.5	-167.1	162.4	0	110.7	R161 N162 G210 T211 Y212	R161-K207 PolarHBondContact N-O 3.38Å; N162-K207 WeakPolarHBondContact O-CB 3.45Å; N162-K207 PolarHBondContact O-N 3.46Å; K207-G210 VanDerWaalsContact CE-O 3.24Å; K207-G210 WeakPolarHBondContact CE-O 3.32Å; K207-T211 WeakPolarHBondContact CA-O 3.42Å; K207-Y212 HydrophobicContact CB-CD1 4.22Å; K207-Y212 HydrophobicContact CB-CE1 4.14Å; K207-Y212 HydrophobicContact CD-CE1 3.99Å; K207-Y212 HydrophobicContact CD-CE2 3.91Å; K207-Y212 HydrophobicContact CG-CD1 4.41Å; K207-Y212 HydrophobicContact CG-CD2 4.48Å; K207-Y212 HydrophobicContact CG-CE1 4.23Å; K207-Y212 HydrophobicContact CG-CE2 4.29Å; K207-Y212 PolarHBondContact NZ-OH 2.84Å
208	I	46.4	Very low	43.7	Very low	25 Å²	25	68.5 Å²	68.5	13%	0.128	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.7	-179.6	-47.7	-178.6	0	0	0	108.1	I155 V160 G210 T211 Y213	I155-I208 HydrophobicContact CG2-CG2 4.32Å; V160-I208 HydrophobicContact CG2-CD1 4.48Å; V160-I208 HydrophobicContact CG2-CG1 4.26Å; I208-G210 PolarHBondContact O-N 3.4Å; I208-T211 PolarHBondContact N-O 2.79Å; I208-T211 PolarHBondContact O-N 3.23Å; I208-Y213 HydrophobicContact CB-CD2 4.35Å; I208-Y213 HydrophobicContact CB-CE2 4.08Å; I208-Y213 HydrophobicContact CD1-CD2 4.21Å; I208-Y213 HydrophobicContact CD1-CE2 4.38Å; I208-Y213 HydrophobicContact CG1-CD2 4.17Å; I208-Y213 HydrophobicContact CG1-CE2 4.35Å
209	N	50.1	Low	43.4	Very low	114 Å²	114	65.7 Å²	65.7	61%	0.61	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	36.9	-179.7	-66.8	-8	0	0	0	114.7
210	G	46.6	Very low	43.2	Very low	49 Å²	49	65.9 Å²	65.9	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-26.7	-179.5	0	0	0	0	0	115	K207 I208	K207-G210 VanDerWaalsContact CE-O 3.24Å; K207-G210 WeakPolarHBondContact CE-O 3.32Å; I208-G210 PolarHBondContact O-N 3.4Å
211	T	40.8	Very low	43.1	Very low	74 Å²	74	67.5 Å²	67.5	45%	0.454	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.1	-177.2	-53.5	0	0	0	0	111.6	K207 I208 Y213	K207-T211 WeakPolarHBondContact CA-O 3.42Å; I208-T211 PolarHBondContact N-O 2.79Å; I208-T211 PolarHBondContact O-N 3.23Å; T211-Y213 HydrophobicContact CG2-CD2 4.38Å; T211-Y213 HydrophobicContact CG2-CE1 4.45Å; T211-Y213 HydrophobicContact CG2-CE2 3.76Å
212	Y	43.6	Very low	42.5	Very low	148 Å²	148	65.8 Å²	65.8	58%	0.58	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	131.1	173.2	-70	-94.1	0	0	0	110.6	K207	K207-Y212 HydrophobicContact CB-CD1 4.22Å; K207-Y212 HydrophobicContact CB-CE1 4.14Å; K207-Y212 HydrophobicContact CD-CE1 3.99Å; K207-Y212 HydrophobicContact CD-CE2 3.91Å; K207-Y212 HydrophobicContact CG-CD1 4.41Å; K207-Y212 HydrophobicContact CG-CD2 4.48Å; K207-Y212 HydrophobicContact CG-CE1 4.23Å; K207-Y212 HydrophobicContact CG-CE2 4.29Å; K207-Y212 PolarHBondContact NZ-OH 2.84Å
213	Y	42.6	Very low	41.9	Very low	99 Å²	99	67.9 Å²	67.9	39%	0.388	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.4	173.6	-66	-88.5	0	0	0	109.3	F205 A206 I208 T211	F205-Y213 WeakPolarHBondContact CA-O 3.44Å; A206-Y213 PolarHBondContact N-O 3.32Å; A206-Y213 PolarHBondContact O-N 2.88Å; I208-Y213 HydrophobicContact CB-CD2 4.35Å; I208-Y213 HydrophobicContact CB-CE2 4.08Å; I208-Y213 HydrophobicContact CD1-CD2 4.21Å; I208-Y213 HydrophobicContact CD1-CE2 4.38Å; I208-Y213 HydrophobicContact CG1-CD2 4.17Å; I208-Y213 HydrophobicContact CG1-CE2 4.35Å; T211-Y213 HydrophobicContact CG2-CD2 4.38Å; T211-Y213 HydrophobicContact CG2-CE1 4.45Å; T211-Y213 HydrophobicContact CG2-CE2 3.76Å
214	V	38.1	Very low	41.2	Very low	104 Å²	104	71.3 Å²	71.3	63%	0.63	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.1	169	-176.4	0	0	0	0	108	F205	F205-V214 HydrophobicContact CD1-CG2 4Å; F205-V214 HydrophobicContact CE1-CG2 3.83Å
215	V	41.4	Very low	40.3	Very low	43 Å²	43	79.2 Å²	79.2	26%	0.261	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.1	-179.5	-175.9	0	0	0	0	108.8	T145 C204	T145-V215 HydrophobicContact CG2-CG1 4.34Å; C204-V215 HydrophobicContact CB-CB 4.26Å; C204-V215 PolarHBondContact O-N 2.74Å
216	S	36.2	Very low	39.3	Very low	55 Å²	55	83 Å²	83	39%	0.385	45%	0.448	S	S	.	.			trans	-74.9	141.4	175.9	50	0	0	0	0	112
217	V	37.6	Very low	38.2	Very low	22 Å²	22	89 Å²	89	13%	0.133	47%	0.469	C	S	.	.			trans	-95.3	153.7	-168.2	-174.9	0	0	0	0	112.6	L143 H202	L143-V217 HydrophobicContact CD1-CG1 3.63Å; H202-V217 HydrophobicContact CB-CG2 4.29Å
218	I	37	Very low	37.3	Very low	76 Å²	76	90.4 Å²	90.4	39%	0.39	49%	0.485	S	S	.	.			trans	-134.6	151.2	-172	-47.1	179.7	0	0	0	111	M78 I80 L143	M78-I218 HydrophobicContact CE-CD1 3.9Å; M78-I218 HydrophobicContact CE-CG1 3.87Å; M78-I218 HydrophobicContact CE-CG2 4.27Å; M78-I218 HydrophobicContact SD-CD1 3.76Å; M78-I218 HydrophobicContact SD-CG1 3.75Å; I80-I218 HydrophobicContact CD1-CG2 4.45Å; L143-I218 WeakPolarHBondContact CD1-O 3.41Å
219	F	34.3	Very low	36.4	Very low	98 Å²	98	97.3 Å²	97.3	43%	0.43	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-123	118.6	-171.1	-46.8	-98.5	0	0	0	113.9	I80 M141 M142	I80-F219 HydrophobicContact CB-CE2 4.35Å; I80-F219 HydrophobicContact CD1-CD2 3.74Å; I80-F219 HydrophobicContact CD1-CE2 4.03Å; I80-F219 HydrophobicContact CG2-CD2 4.35Å; I80-F219 HydrophobicContact CG2-CE2 4.41Å; M141-F219 HydrophobicContact CG-CB 4.44Å; M142-F219 CarbonylContact O-C 3.44Å; M142-F219 WeakPolarHBondContact O-CA 3.3Å
220	S	36.6	Very low	35.4	Very low	70 Å²	70	97.1 Å²	97.1	49%	0.49	53%	0.529	S	S	.	.			trans	-159.8	123.7	-179.8	61.4	0	0	0	0	118.2	D140 M141 M142	D140-S220 CarbonylContact O-C 3.57Å; D140-S220 VanDerWaalsContact O-CA 3.28Å; D140-S220 WeakPolarHBondContact O-CA 3.33Å; M141-S220 VanDerWaalsContact C-C 3.47Å; M142-S220 CarbonylContact C-O 3.53Å; M142-S220 VanDerWaalsContact C-O 3.23Å; M142-S220 VanDerWaalsContact CA-O 3.27Å; M142-S220 WeakPolarHBondContact CA-O 3.21Å; M142-S220 WeakPolarHBondContact CB-O 3.37Å; M142-S220 PolarHBondContact N-O 2.79Å; M142-S220 VanDerWaalsContact N-O 3.07Å; M142-S220 CarbonylContact O-C 3.58Å; M142-S220 PolarHBondContact O-N 3.4Å
221	N	35.8	Very low	34.5	Very low	64 Å²	64	97.9 Å²	97.9	34%	0.342	52%	0.524	S	S	.	.			trans	11.5	116.9	-158.6	-138.1	18.7	0	0	0	133.8	D140 M141 M142	D140-N221 VanDerWaalsContact C-CA 3.49Å; D140-N221 HydrophobicContact CB-CB 3.76Å; D140-N221 WeakPolarHBondContact CB-OD1 3.32Å; D140-N221 PolarHBondContact O-N 3.22Å; D140-N221 PolarHBondContact OD2-ND2 2.95Å; M141-N221 VanDerWaalsContact C-C 3.47Å; M141-N221 VanDerWaalsContact CA-CA 3.47Å; M141-N221 VanDerWaalsContact N-CA 3.27Å; M141-N221 PolarHBondContact N-OD1 3.42Å; M141-N221 CarbonylContact O-C 3.6Å; M142-N221 WeakPolarHBondContact CB-O 3.24Å; M142-N221 VanDerWaalsContact SD-O 3.36Å
222	I	30.5	Very low	33.8	Very low	85 Å²	85	99.9 Å²	99.9	44%	0.436	54%	0.541	S	S	.	.			trans	-113.9	107.3	153.7	-47.6	-174.8	0	0	0	109.6	M141 M142	M141-I222 VanDerWaalsContact C-N 3.35Å; M141-I222 PolarHBondContact O-N 3.28Å; M142-I222 HydrophobicContact CB-CB 4.37Å; M142-I222 HydrophobicContact CB-CD1 4.45Å; M142-I222 HydrophobicContact CB-CG1 3.41Å; M142-I222 VanDerWaalsContact CB-CG1 3.41Å; M142-I222 HydrophobicContact CG-CD1 4.31Å; M142-I222 HydrophobicContact CG-CG1 3.58Å; M142-I222 HydrophobicContact SD-CG1 3.81Å
223	S	37.3	Very low	33.1	Very low	93 Å²	93	99.7 Å²	99.7	65%	0.65	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.6	177.2	51.1	0	0	0	0	115	W225	S223-W225 VanDerWaalsContact C-N 3.32Å; S223-W225 PolarHBondContact O-N 3.42Å
224	D	30.9	Very low	32.3	Very low	138 Å²	138	105 Å²	105	74%	0.738	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	14.3	-165.3	-58.2	-5.5	0	0	0	113.2	V226	D224-V226 PolarHBondContact O-N 2.83Å
225	W	31.4	Very low	32.1	Very low	180 Å²	180	106 Å²	106	68%	0.682	56%	0.556	S	S	*	*			trans	-89.6	99.3	175.1	-146.7	50.6	0	0	0	109.9	S223 Y227	S223-W225 VanDerWaalsContact C-N 3.32Å; S223-W225 PolarHBondContact O-N 3.42Å; W225-Y227 HydrophobicContact CE3-CE1 4.32Å; W225-Y227 HydrophobicContact CE3-CE2 4.29Å; W225-Y227 HydrophobicContact CZ3-CE1 4.34Å; W225-Y227 VanDerWaalsContact O-CD2 3.25Å; W225-Y227 WeakPolarHBondContact O-CD2 3.24Å; W225-Y227 PolarHBondContact O-N 3.28Å
226	V	27.1	Very low	31.7	Very low	137 Å²	137	109.7 Å²	109.7	83%	0.83	57%	0.572	S	S	*	*			trans	-67.7	98.8	178.1	-178.5	0	0	0	0	109.4	D224	D224-V226 PolarHBondContact O-N 2.83Å
227	Y	29.6	Very low	31.5	Very low	134 Å²	134	107.4 Å²	107.4	53%	0.525	56%	0.557	S	S	.	*			trans	-63.9	133.4	173.9	-78.4	-97.7	0	0	0	110.5	W225 D229	W225-Y227 HydrophobicContact CE3-CE1 4.32Å; W225-Y227 HydrophobicContact CE3-CE2 4.29Å; W225-Y227 HydrophobicContact CZ3-CE1 4.34Å; W225-Y227 VanDerWaalsContact O-CD2 3.25Å; W225-Y227 WeakPolarHBondContact O-CD2 3.24Å; W225-Y227 PolarHBondContact O-N 3.28Å; Y227-D229 PolarHBondContact O-N 3.35Å
228	P	29.4	Very low	31.4	Very low	91 Å²	91	110.8 Å²	110.8	59%	0.591	57%	0.572	S	S	*	*			trans	-71.3	116.7	160	28.6	-30.4	0	0	0	108.9	S230 V231	P228-S230 PolarHBondContact O-N 3.46Å; P228-V231 PolarHBondContact O-N 2.93Å
229	D	28.3	Very low	31.4	Very low	169 Å²	169	116.3 Å²	116.3	90%	0.904	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-9.4	-172.8	-67.2	-52.1	0	0	0	115.9	Y227	Y227-D229 PolarHBondContact O-N 3.35Å
230	S	28.6	Very low	31.5	Very low	110 Å²	110	116.7 Å²	116.7	77%	0.769	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-0.2	-173.8	57.2	0	0	0	0	115.5	P228	P228-S230 PolarHBondContact O-N 3.46Å
231	V	28.5	Very low	31.6	Very low	66 Å²	66	115.4 Å²	115.4	40%	0.4	59%	0.591	S	S	.	*			trans	-132.4	104.5	178.5	-155.5	0	0	0	0	112.4	P228 Y233	P228-V231 PolarHBondContact O-N 2.93Å; V231-Y233 VanDerWaalsContact C-N 3.32Å; V231-Y233 HydrophobicContact CB-CD2 3.92Å; V231-Y233 HydrophobicContact CB-CE2 3.56Å; V231-Y233 HydrophobicContact CG1-CD1 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 3.8Å; V231-Y233 HydrophobicContact CG1-CE1 4.06Å; V231-Y233 HydrophobicContact CG1-CE2 3.29Å; V231-Y233 HydrophobicContact CG1-CG 4.38Å; V231-Y233 VanDerWaalsContact CG1-CZ 3.44Å; V231-Y233 HydrophobicContact CG2-CE2 4.36Å; V231-Y233 PolarHBondContact O-N 3.46Å
232	S	25.6	Very low	31.9	Very low	116 Å²	116	114.5 Å²	114.5	81%	0.811	60%	0.596	S	S	*	*			trans	-76.1	73.9	-178.2	57.3	0	0	0	0	112.8	R234	S232-R234 PolarHBondContact O-N 2.94Å
233	Y	29.5	Very low	32.8	Very low	144 Å²	144	114.8 Å²	114.8	57%	0.565	61%	0.606	S	S	*	*			trans	-74.6	34.5	172.6	-67.9	-68.5	0	0	0	113.9	V231	V231-Y233 VanDerWaalsContact C-N 3.32Å; V231-Y233 HydrophobicContact CB-CD2 3.92Å; V231-Y233 HydrophobicContact CB-CE2 3.56Å; V231-Y233 HydrophobicContact CG1-CD1 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 3.8Å; V231-Y233 HydrophobicContact CG1-CE1 4.06Å; V231-Y233 HydrophobicContact CG1-CE2 3.29Å; V231-Y233 HydrophobicContact CG1-CG 4.38Å; V231-Y233 VanDerWaalsContact CG1-CZ 3.44Å; V231-Y233 HydrophobicContact CG2-CE2 4.36Å; V231-Y233 PolarHBondContact O-N 3.46Å
234	R	25.1	Very low	33.9	Very low	210 Å²	210	112.7 Å²	112.7	79%	0.792	59%	0.587	S	S	*	*			trans	-91.2	116.3	173.8	-73.3	-171.6	178.1	178.3	0.1	109.5	S232	S232-R234 PolarHBondContact O-N 2.94Å
235	F	33.8	Very low	35.6	Very low	124 Å²	124	106.5 Å²	106.5	54%	0.544	55%	0.554	S	S	.	*			trans	72.3	107.8	171.1	-39.3	-68.6	0	0	0	116.7	G237	F235-G237 VanDerWaalsContact C-N 3.3Å; F235-G237 PolarHBondContact O-N 3.38Å; F235-G237 VanDerWaalsContact O-N 3.1Å
236	M	32.8	Very low	37.4	Very low	121 Å²	121	98.1 Å²	98.1	60%	0.596	52%	0.523	S	S	*	.			trans	-74.1	88.2	151.5	-74.7	-178.8	124.9	0	0	108.3	M240	M236-M240 HydrophobicContact CB-SD 4.42Å; M236-M240 HydrophobicContact CG-SD 4.16Å
237	G	32.7	Very low	39.2	Very low	8 Å²	8	94.1 Å²	94.1	8%	0.082	50%	0.496	C	S	.	.			trans	-68.3	167.1	174.3	0	0	0	0	0	112.3	E109 F235 Q239 M240	E109-G237 WeakPolarHBondContact OE2-CA 3.2Å; F235-G237 VanDerWaalsContact C-N 3.3Å; F235-G237 PolarHBondContact O-N 3.38Å; F235-G237 VanDerWaalsContact O-N 3.1Å; G237-Q239 PolarHBondContact O-N 2.98Å; G237-M240 PolarHBondContact O-N 3.37Å
238	E	34	Very low	40.9	Very low	93 Å²	93	89.9 Å²	89.9	44%	0.435	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-59.2	-24	-176.2	-159.8	175.4	-142.1	0	0	112.5	G63 E109 M240 C241	G63-E238 WeakPolarHBondContact CA-OE1 3.26Å; G63-E238 WeakPolarHBondContact CA-OE2 3.46Å; G63-E238 PolarHBondContact N-OE1 2.9Å; G63-E238 PolarHBondContact N-OE2 3.23Å; E109-E238 PolarHBondContact OE2-N 2.9Å; E238-M240 VanDerWaalsContact C-N 3.35Å; E238-M240 PolarHBondContact O-N 3.31Å; E238-C241 WeakPolarHBondContact O-CB 3.35Å; E238-C241 PolarHBondContact O-N 2.89Å; E238-C241 VanDerWaalsContact O-N 3.15Å
239	Q	37.5	Very low	42.7	Very low	192 Å²	192	85.5 Å²	85.5	90%	0.897	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-68.3	-25.7	173.6	-64.7	-172	-10.8	0	0	114.3	G237 C241	G237-Q239 PolarHBondContact O-N 2.98Å; Q239-C241 VanDerWaalsContact C-N 3.27Å
240	M	35.8	Very low	44.1	Very low	106 Å²	106	77.8 Å²	77.8	52%	0.522	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-82.3	-6	172	-62.6	-172.1	-176	0	0	112.8	M236 G237 E238 I247	M236-M240 HydrophobicContact CB-SD 4.42Å; M236-M240 HydrophobicContact CG-SD 4.16Å; G237-M240 PolarHBondContact O-N 3.37Å; E238-M240 VanDerWaalsContact C-N 3.35Å; E238-M240 PolarHBondContact O-N 3.31Å; M240-I247 WeakPolarHBondContact O-CD1 3.43Å
241	C	40	Very low	45.4	Very low	43 Å²	43	78.1 Å²	78.1	29%	0.291	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-99.5	7.8	-179.1	-68	0	0	0	0	114	C82 E238 Q239 S243	C82-C241 WeakPolarHBondContact CA-SG 3.41Å; C82-C241 HydrophobicContact CB-CB 3.59Å; C82-C241 WeakPolarHBondContact CB-SG 3.49Å; C82-C241 WeakPolarHBondContact SG-CA 3.32Å; C82-C241 WeakPolarHBondContact SG-CB 3.24Å; C82-C241 CovalentContact SG-SG 2.04Å; C82-C241 PolarHBondContact SG-SG 3.47Å; E238-C241 WeakPolarHBondContact O-CB 3.35Å; E238-C241 PolarHBondContact O-N 2.89Å; E238-C241 VanDerWaalsContact O-N 3.15Å; Q239-C241 VanDerWaalsContact C-N 3.27Å; C241-S243 PolarHBondContact O-N 2.57Å
242	G	41.7	Very low	46.9	Very low	45 Å²	45	80.2 Å²	80.2	46%	0.464	41%	0.411	S	S	.	.	S	Bend	trans	-58.3	131.5	150.9	0	0	0	0	0	108.3	D244	G242-D244 PolarHBondContact O-N 2.86Å
243	S	50.2	Low	48.8	Very low	91 Å²	91	77.1 Å²	77.1	64%	0.636	40%	0.398	S	S	*	.			trans	-70.6	78.8	165.9	55.2	0	0	0	0	107.9	C241	C241-S243 PolarHBondContact O-N 2.57Å
244	D	60.6	Low	50.6	Low	48 Å²	48	73.8 Å²	73.8	26%	0.257	39%	0.385	S	S	.	.			trans	-68.7	155.2	169.4	96.1	-18	0	0	0	108.6	G242 C246 I247 Q248 V266	G242-D244 PolarHBondContact O-N 2.86Å; D244-C246 PolarHBondContact O-N 2.91Å; D244-C246 WeakPolarHBondContact OD1-CB 3.33Å; D244-C246 PolarHBondContact OD1-N 3.22Å; D244-I247 PolarHBondContact O-N 2.8Å; D244-I247 WeakPolarHBondContact OD1-CB 3.48Å; D244-I247 WeakPolarHBondContact OD1-CG1 3.18Å; D244-I247 PolarHBondContact OD1-N 3.31Å; D244-Q248 WeakPolarHBondContact O-CB 3.27Å; D244-Q248 PolarHBondContact O-N 3.15Å; D244-V266 HydrophobicContact CB-CB 4.15Å; D244-V266 HydrophobicContact CB-CG2 3.58Å
245	M	66.1	Low	52.9	Low	8 Å²	8	68.6 Å²	68.6	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-57.5	-33.3	-176.4	-62.1	168.5	53.3	0	0	111.8	A249 L256 V266 Y271 W292	M245-A249 WeakPolarHBondContact O-CB 3.42Å; M245-A249 PolarHBondContact O-N 2.94Å; M245-L256 HydrophobicContact CB-CD1 4.08Å; M245-V266 HydrophobicContact CB-CG2 3.91Å; M245-V266 HydrophobicContact CG-CG2 4.19Å; M245-Y271 HydrophobicContact CE-CD1 3.91Å; M245-W292 HydrophobicContact CB-CD2 4.27Å; M245-W292 HydrophobicContact CB-CE3 4.37Å; M245-W292 HydrophobicContact CB-CH2 4.31Å; M245-W292 HydrophobicContact CB-CZ2 4.19Å; M245-W292 HydrophobicContact CB-CZ3 4.39Å; M245-W292 HydrophobicContact CE-CB 3.75Å; M245-W292 HydrophobicContact CE-CD2 3.87Å; M245-W292 HydrophobicContact CE-CE3 3.91Å; M245-W292 HydrophobicContact CE-CG 3.84Å; M245-W292 HydrophobicContact CG-CD2 3.91Å; M245-W292 HydrophobicContact CG-CE3 4.46Å; M245-W292 HydrophobicContact CG-CG 4.1Å; M245-W292 HydrophobicContact CG-CZ2 4.3Å; M245-W292 WeakPolarHBondContact O-CH2 3.47Å; M245-W292 HydrophobicContact SD-CB 4.45Å; M245-W292 HydrophobicContact SD-CG 4.27Å
246	C	68.7	Low	55.2	Low	5 Å²	5	62.8 Å²	62.8	3%	0.034	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-50.9	-179.9	-55.8	0	0	0	0	111.8	D244 A250 I261 C264 Y265	D244-C246 PolarHBondContact O-N 2.91Å; D244-C246 WeakPolarHBondContact OD1-CB 3.33Å; D244-C246 PolarHBondContact OD1-N 3.22Å; C246-A250 WeakPolarHBondContact O-CB 3.46Å; C246-A250 PolarHBondContact O-N 2.96Å; C246-I261 HydrophobicContact CB-CG1 4.46Å; C246-C264 HydrophobicContact CB-CB 3.65Å; C246-C264 WeakPolarHBondContact CB-SG 3.16Å; C246-C264 WeakPolarHBondContact SG-CB 2.99Å; C246-C264 CovalentContact SG-SG 2.04Å; C246-C264 PolarHBondContact SG-SG 3.11Å; C246-Y265 PolarHBondContact SG-N 3.08Å; C246-Y265 VanDerWaalsContact SG-N 3.42Å
247	I	64.7	Low	57.5	Low	52 Å²	52	57 Å²	57	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-41.5	177.7	-65.7	166	0	0	0	110.4	M240 D244 A250 N251 I261	M240-I247 WeakPolarHBondContact O-CD1 3.43Å; D244-I247 PolarHBondContact O-N 2.8Å; D244-I247 WeakPolarHBondContact OD1-CB 3.48Å; D244-I247 WeakPolarHBondContact OD1-CG1 3.18Å; D244-I247 PolarHBondContact OD1-N 3.31Å; I247-A250 PolarHBondContact O-N 3.33Å; I247-N251 VanDerWaalsContact O-CG 3.3Å; I247-N251 PolarHBondContact O-N 2.97Å; I247-N251 PolarHBondContact O-ND2 2.95Å; I247-N251 VanDerWaalsContact O-ND2 3.1Å; I247-I261 HydrophobicContact CG1-CD1 4.21Å
248	Q	66.1	Low	59.9	Low	45 Å²	45	58.5 Å²	58.5	21%	0.21	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-37.4	-178.3	-175.1	168.6	-11.3	0	0	112.8	D244 Q252 F290 W292	D244-Q248 WeakPolarHBondContact O-CB 3.27Å; D244-Q248 PolarHBondContact O-N 3.15Å; Q248-Q252 PolarHBondContact O-N 2.69Å; Q248-F290 HydrophobicContact CG-CD2 4.48Å; Q248-F290 HydrophobicContact CG-CE2 4.29Å; Q248-F290 HydrophobicContact CG-CZ 4.4Å; Q248-F290 VanDerWaalsContact NE2-CG 3.33Å; Q248-W292 HydrophobicContact CB-CH2 4.1Å; Q248-W292 HydrophobicContact CB-CZ2 3.77Å; Q248-W292 HydrophobicContact CG-CH2 4.15Å; Q248-W292 HydrophobicContact CG-CZ2 3.68Å
249	A	66.2	Low	62	Low	0 Å²	0	57 Å²	57	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-42.5	173.4	0	0	0	0	0	111.6	M245 N251 Q252 G253 Y254 L256 L286 W292	M245-A249 WeakPolarHBondContact O-CB 3.42Å; M245-A249 PolarHBondContact O-N 2.94Å; A249-N251 PolarHBondContact O-N 3.37Å; A249-Q252 CarbonylContact O-C 3.37Å; A249-Q252 WeakPolarHBondContact O-CA 3.23Å; A249-Q252 WeakPolarHBondContact O-CB 3.49Å; A249-Q252 PolarHBondContact O-N 3.34Å; A249-G253 PolarHBondContact O-N 3.3Å; A249-Y254 CarbonylContact C-O 3.59Å; A249-Y254 VanDerWaalsContact C-O 3.28Å; A249-Y254 PolarHBondContact O-N 3.38Å; A249-L256 HydrophobicContact CB-CD1 3.89Å; A249-L256 HydrophobicContact CB-CD2 3.83Å; A249-L256 HydrophobicContact CB-CG 3.62Å; A249-L286 HydrophobicContact CB-CD1 3.47Å; A249-L286 VanDerWaalsContact CB-CD1 3.47Å; A249-W292 HydrophobicContact CB-CH2 3.93Å; A249-W292 HydrophobicContact CB-CZ3 4.03Å
250	A	58.3	Low	63.5	Low	7 Å²	7	48.5 Å²	48.5	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-73.4	-29	-177.3	0	0	0	0	0	112.9	M199 C246 I247 Q252 G253 Y254 I261	M199-A250 HydrophobicContact CE-CB 3.36Å; M199-A250 HydrophobicContact SD-CB 3.37Å; M199-A250 WeakPolarHBondContact SD-CB 3.35Å; M199-A250 VanDerWaalsContact SD-O 3.41Å; C246-A250 WeakPolarHBondContact O-CB 3.46Å; C246-A250 PolarHBondContact O-N 2.96Å; I247-A250 PolarHBondContact O-N 3.33Å; A250-Q252 PolarHBondContact O-N 2.94Å; A250-G253 WeakPolarHBondContact O-CA 3.49Å; A250-G253 PolarHBondContact O-N 3.15Å; A250-Y254 WeakPolarHBondContact CA-O 3.16Å; A250-Y254 PolarHBondContact N-O 3.43Å; A250-I261 HydrophobicContact CB-CD1 3.81Å
251	N	55	Low	64.7	Low	117 Å²	117	45.5 Å²	45.5	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-62.2	-21.3	165.7	-74.6	-38.9	0	0	0	113.7	I247 A249	I247-N251 VanDerWaalsContact O-CG 3.3Å; I247-N251 PolarHBondContact O-N 2.97Å; I247-N251 PolarHBondContact O-ND2 2.95Å; I247-N251 VanDerWaalsContact O-ND2 3.1Å; A249-N251 PolarHBondContact O-N 3.37Å
252	Q	61.6	Low	65.9	Low	109 Å²	109	48.4 Å²	48.4	51%	0.509	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.4	170.2	-59.2	-58.9	-37	0	0	112.9	Q248 A249 A250 Y254 L286 F290	Q248-Q252 PolarHBondContact O-N 2.69Å; A249-Q252 CarbonylContact O-C 3.37Å; A249-Q252 WeakPolarHBondContact O-CA 3.23Å; A249-Q252 WeakPolarHBondContact O-CB 3.49Å; A249-Q252 PolarHBondContact O-N 3.34Å; A250-Q252 PolarHBondContact O-N 2.94Å; Q252-Y254 HydrophobicContact CB-CD2 3.82Å; Q252-Y254 HydrophobicContact CB-CE2 4.25Å; Q252-Y254 VanDerWaalsContact O-CD2 3.27Å; Q252-Y254 WeakPolarHBondContact O-CD2 3.46Å; Q252-Y254 WeakPolarHBondContact O-CE2 3.4Å; Q252-L286 HydrophobicContact CB-CD2 4.14Å; Q252-L286 HydrophobicContact CG-CD2 4.26Å; Q252-F290 HydrophobicContact CG-CE2 3.92Å; Q252-F290 HydrophobicContact CG-CZ 4Å
253	G	63.6	Low	67.4	Low	52 Å²	52	47 Å²	47	54%	0.536	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	8.6	-177.3	0	0	0	0	0	115.4	A249 A250	A249-G253 PolarHBondContact O-N 3.3Å; A250-G253 WeakPolarHBondContact O-CA 3.49Å; A250-G253 PolarHBondContact O-N 3.15Å
254	Y	69.2	Low	68.7	Low	74 Å²	74	43.1 Å²	43.1	29%	0.29	24%	0.24	S	C	.	.			trans	-105	143.9	-177.1	-67.1	-97.8	0	0	0	112.7	A249 A250 Q252 Y285 L286	A249-Y254 CarbonylContact C-O 3.59Å; A249-Y254 VanDerWaalsContact C-O 3.28Å; A249-Y254 PolarHBondContact O-N 3.38Å; A250-Y254 WeakPolarHBondContact CA-O 3.16Å; A250-Y254 PolarHBondContact N-O 3.43Å; Q252-Y254 HydrophobicContact CB-CD2 3.82Å; Q252-Y254 HydrophobicContact CB-CE2 4.25Å; Q252-Y254 VanDerWaalsContact O-CD2 3.27Å; Q252-Y254 WeakPolarHBondContact O-CD2 3.46Å; Q252-Y254 WeakPolarHBondContact O-CE2 3.4Å; Y254-Y285 AromaticContact CE1-CD1 3.99Å; Y254-Y285 HydrophobicContact CE1-CD1 3.99Å; Y254-Y285 HydrophobicContact CE1-CE1 4.3Å; Y254-Y285 HydrophobicContact CE2-CD1 4.41Å; Y254-Y285 HydrophobicContact CE2-CE1 4.22Å; Y254-Y285 AromaticContact CZ-CD1 3.76Å; Y254-Y285 AromaticContact CZ-CE1 3.64Å; Y254-Y285 WeakPolarHBondContact OH-CE1 3.35Å; Y254-L286 HydrophobicContact CD2-CD1 4.22Å; Y254-L286 HydrophobicContact CD2-CD2 3.88Å; Y254-L286 HydrophobicContact CD2-CG 4.38Å; Y254-L286 HydrophobicContact CE2-CD2 4.07Å; Y254-L286 HydrophobicContact CG-CD1 4.04Å; Y254-L286 HydrophobicContact CG-CD2 4.39Å; Y254-L286 HydrophobicContact CG-CG 4.4Å
255	M	72.4	Confident	69.4	Low	100 Å²	100	44.9 Å²	44.9	49%	0.493	24%	0.243	S	C	.	.			trans	-100.3	140	167.6	-55.6	-170	-164.4	0	0	109.9	L279	M255-L279 HydrophobicContact CB-CD1 4.44Å
256	L	81.1	Confident	69.9	Low	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.258	C	S	.	.	S	Bend	trans	-95.4	-17.1	175.5	-64.2	-173.9	0	0	0	113.3	M245 A249 Y271 L279 C283	M245-L256 HydrophobicContact CB-CD1 4.08Å; A249-L256 HydrophobicContact CB-CD1 3.89Å; A249-L256 HydrophobicContact CB-CD2 3.83Å; A249-L256 HydrophobicContact CB-CG 3.62Å; L256-Y271 HydrophobicContact CB-CD1 4.48Å; L256-Y271 HydrophobicContact CB-CD2 3.91Å; L256-Y271 HydrophobicContact CB-CE1 4.22Å; L256-Y271 HydrophobicContact CB-CE2 3.64Å; L256-Y271 HydrophobicContact CB-CG 4.31Å; L256-Y271 HydrophobicContact CD1-CD1 3.89Å; L256-Y271 HydrophobicContact CD1-CD2 4.42Å; L256-Y271 HydrophobicContact CD1-CE1 4.17Å; L256-Y271 HydrophobicContact CD1-CG 4Å; L256-Y271 HydrophobicContact CD2-CE1 4.37Å; L256-Y271 HydrophobicContact CG-CE1 4.5Å; L256-Y271 WeakPolarHBondContact O-CE2 3.38Å; L256-Y271 VanDerWaalsContact O-CZ 3.32Å; L256-Y271 PolarHBondContact O-OH 3.03Å; L256-L279 PolarHBondContact O-N 3.05Å; L256-C283 HydrophobicContact CD2-CB 4.12Å
257	C	82.4	Confident	70.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-125.6	143.6	175	-61.6	0	0	0	0	109.7	A259 G260 D263 C273 V277	C257-A259 VanDerWaalsContact C-N 3.27Å; C257-A259 PolarHBondContact O-N 3.48Å; C257-G260 PolarHBondContact O-N 2.86Å; C257-D263 HydrophobicContact CB-CB 4.38Å; C257-C273 HydrophobicContact CB-CB 3.91Å; C257-C273 WeakPolarHBondContact CB-SG 3.33Å; C257-C273 VanDerWaalsContact SG-CA 3.55Å; C257-C273 WeakPolarHBondContact SG-CB 3.28Å; C257-C273 CovalentContact SG-SG 2.04Å; C257-C273 PolarHBondContact SG-SG 3.21Å; C257-V277 WeakPolarHBondContact CA-O 3.41Å
258	D	83.1	Confident	70.7	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.203	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.2	178.4	72.9	-22.1	0	0	0	113.6	G260 G276 V277 L279	D258-G260 PolarHBondContact O-N 2.9Å; D258-G276 WeakPolarHBondContact OD1-CA 3.31Å; D258-V277 PolarHBondContact N-O 2.97Å; D258-V277 VanDerWaalsContact N-O 3.08Å; D258-V277 PolarHBondContact OD1-N 3.46Å; D258-L279 HydrophobicContact CB-CD2 4.01Å
259	A	77.3	Confident	71	Confident	62 Å²	62	56.7 Å²	56.7	51%	0.512	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	4	172.5	0	0	0	0	0	114.2	C257 D263	C257-A259 VanDerWaalsContact C-N 3.27Å; C257-A259 PolarHBondContact O-N 3.48Å; A259-D263 HydrophobicContact CB-CB 3.77Å
260	G	68.8	Low	71.7	Confident	13 Å²	13	57.8 Å²	57.8	13%	0.134	32%	0.32	C	S	.	.			trans	86.3	-179.6	177.7	0	0	0	0	0	115	C257 D258 H262 D263	C257-G260 PolarHBondContact O-N 2.86Å; D258-G260 PolarHBondContact O-N 2.9Å; G260-H262 VanDerWaalsContact C-N 3.34Å; G260-H262 PolarHBondContact O-N 2.89Å; G260-D263 PolarHBondContact O-N 3.09Å
261	I	62.1	Low	72.8	Confident	43 Å²	43	57.5 Å²	57.5	22%	0.221	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59	-37	-170.3	-174.3	170.8	0	0	0	114.2	M199 C246 I247 A250 D263 C264	M199-I261 HydrophobicContact CE-CB 4.37Å; M199-I261 HydrophobicContact CE-CD1 3.55Å; M199-I261 HydrophobicContact CE-CG2 4Å; C246-I261 HydrophobicContact CB-CG1 4.46Å; I247-I261 HydrophobicContact CG1-CD1 4.21Å; A250-I261 HydrophobicContact CB-CD1 3.81Å; I261-D263 PolarHBondContact O-N 2.93Å; I261-C264 WeakPolarHBondContact O-CB 3.49Å; I261-C264 PolarHBondContact O-N 3.39Å
262	H	64.1	Low	74.2	Confident	104 Å²	104	56.5 Å²	56.5	48%	0.481	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.9	-176.4	-61.5	-61.5	0	0	0	113.8	H198 G260 K274	H198-H262 AromaticContact CE1-NE2 3.89Å; H198-H262 AromaticContact ND1-NE2 3.78Å; G260-H262 VanDerWaalsContact C-N 3.34Å; G260-H262 PolarHBondContact O-N 2.89Å; H262-K274 PolarHBondContact O-NZ 3.14Å
263	D	74.8	Confident	75.2	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.08	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-84.1	-21.3	175.6	-157.6	68.3	0	0	0	112.6	C257 A259 G260 I261 C273 K274 K275 G276	C257-D263 HydrophobicContact CB-CB 4.38Å; A259-D263 HydrophobicContact CB-CB 3.77Å; G260-D263 PolarHBondContact O-N 3.09Å; I261-D263 PolarHBondContact O-N 2.93Å; D263-C273 CarbonylContact O-C 3.58Å; D263-C273 WeakPolarHBondContact O-CA 3.4Å; D263-C273 WeakPolarHBondContact OD2-CB 3.33Å; D263-K274 WeakPolarHBondContact O-CG 3.44Å; D263-K274 PolarHBondContact O-N 2.91Å; D263-K274 WeakPolarHBondContact OD1-CB 3.27Å; D263-K274 PolarHBondContact OD2-N 3.01Å; D263-K275 WeakPolarHBondContact OD1-CB 3.4Å; D263-K275 PolarHBondContact OD1-N 3.43Å; D263-K275 PolarHBondContact OD2-N 3.07Å; D263-G276 WeakPolarHBondContact OD2-CA 3.49Å; D263-G276 PolarHBondContact OD2-N 2.93Å
264	C	75.7	Confident	75.9	Confident	11 Å²	11	56 Å²	56	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.7	179.9	-169.9	0	0	0	0	111.7	C246 I261 Q272	C246-C264 HydrophobicContact CB-CB 3.65Å; C246-C264 WeakPolarHBondContact CB-SG 3.16Å; C246-C264 WeakPolarHBondContact SG-CB 2.99Å; C246-C264 CovalentContact SG-SG 2.04Å; C246-C264 PolarHBondContact SG-SG 3.11Å; I261-C264 WeakPolarHBondContact O-CB 3.49Å; I261-C264 PolarHBondContact O-N 3.39Å; C264-Q272 WeakPolarHBondContact CA-O 3.32Å
265	Y	76.7	Confident	76.4	Confident	84 Å²	84	60.8 Å²	60.8	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147	170.4	61.2	-75.3	0	0	0	110.6	C246 V267 Y271 Q272 K274	C246-Y265 PolarHBondContact SG-N 3.08Å; C246-Y265 VanDerWaalsContact SG-N 3.42Å; Y265-V267 HydrophobicContact CD2-CG2 3.64Å; Y265-V267 HydrophobicContact CE2-CG2 3.57Å; Y265-Y271 CarbonylContact O-C 3.56Å; Y265-Y271 VanDerWaalsContact O-CA 3.3Å; Y265-Y271 WeakPolarHBondContact O-CA 3.43Å; Y265-Q272 HydrophobicContact CD1-CB 4.34Å; Y265-Q272 WeakPolarHBondContact CD1-O 3.49Å; Y265-Q272 HydrophobicContact CD2-CB 4.44Å; Y265-Q272 HydrophobicContact CE1-CB 3.71Å; Y265-Q272 WeakPolarHBondContact CE1-O 3.27Å; Y265-Q272 HydrophobicContact CE2-CB 3.85Å; Y265-Q272 VanDerWaalsContact CZ-CB 3.44Å; Y265-Q272 PolarHBondContact N-O 2.96Å; Y265-Q272 PolarHBondContact O-N 3.46Å; Y265-Q272 PolarHBondContact OH-OE1 3.35Å; Y265-K274 HydrophobicContact CD1-CD 4.38Å; Y265-K274 HydrophobicContact CD1-CG 3.59Å; Y265-K274 HydrophobicContact CE1-CB 4.36Å; Y265-K274 HydrophobicContact CE1-CG 3.46Å; Y265-K274 VanDerWaalsContact CE1-CG 3.46Å
266	V	76.2	Confident	76.9	Confident	57 Å²	57	56.7 Å²	56.7	35%	0.345	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.9	-176.5	170	0	0	0	0	112.3	D244 M245 S270	D244-V266 HydrophobicContact CB-CB 4.15Å; D244-V266 HydrophobicContact CB-CG2 3.58Å; M245-V266 HydrophobicContact CB-CG2 3.91Å; M245-V266 HydrophobicContact CG-CG2 4.19Å; V266-S270 CarbonylContact C-O 3.43Å; V266-S270 WeakPolarHBondContact CA-O 3.4Å; V266-S270 WeakPolarHBondContact CG1-O 3.32Å
267	V	77.2	Confident	77.2	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.279	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.2	178.9	-176	0	0	0	0	108.6	Y265 N269 S270 Q272	Y265-V267 HydrophobicContact CD2-CG2 3.64Å; Y265-V267 HydrophobicContact CE2-CG2 3.57Å; V267-N269 PolarHBondContact O-N 3.21Å; V267-S270 PolarHBondContact N-O 3.47Å; V267-S270 CarbonylContact O-C 3.59Å; V267-S270 WeakPolarHBondContact O-CA 3.4Å; V267-S270 PolarHBondContact O-N 3.46Å; V267-S270 VanDerWaalsContact O-O 3.05Å; V267-Q272 HydrophobicContact CG2-CB 4.49Å; V267-Q272 HydrophobicContact CG2-CG 4.29Å
268	N	72.1	Confident	77.6	Confident	157 Å²	157	57.9 Å²	57.9	84%	0.84	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	50	172.2	-61.3	-18.2	0	0	0	115.2	S270	N268-S270 PolarHBondContact O-N 2.88Å
269	N	72.6	Confident	77.9	Confident	99 Å²	99	56.1 Å²	56.1	53%	0.529	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	17.6	-177.3	-154.3	72.6	0	0	0	115	V267 S293	V267-N269 PolarHBondContact O-N 3.21Å; N269-S293 VanDerWaalsContact O-CB 3.29Å; N269-S293 WeakPolarHBondContact O-CB 3.23Å; N269-S293 PolarHBondContact O-N 3.24Å
270	S	81.8	Confident	78.5	Confident	23 Å²	23	53.4 Å²	53.4	16%	0.161	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-176.4	170.6	-174.2	0	0	0	0	109.3	V266 V267 N268 S293	V266-S270 CarbonylContact C-O 3.43Å; V266-S270 WeakPolarHBondContact CA-O 3.4Å; V266-S270 WeakPolarHBondContact CG1-O 3.32Å; V267-S270 PolarHBondContact N-O 3.47Å; V267-S270 CarbonylContact O-C 3.59Å; V267-S270 WeakPolarHBondContact O-CA 3.4Å; V267-S270 PolarHBondContact O-N 3.46Å; V267-S270 VanDerWaalsContact O-O 3.05Å; N268-S270 PolarHBondContact O-N 2.88Å; S270-S293 WeakPolarHBondContact CA-O 3.25Å; S270-S293 VanDerWaalsContact CB-O 3.25Å; S270-S293 WeakPolarHBondContact CB-O 3.39Å; S270-S293 PolarHBondContact OG-O 2.92Å; S270-S293 VanDerWaalsContact OG-O 3.11Å
271	Y	82	Confident	79.5	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.4	176.2	76.7	-82.1	0	0	0	111.9	M245 L256 Y265 P278 L279 C283 P295	M245-Y271 HydrophobicContact CE-CD1 3.91Å; L256-Y271 HydrophobicContact CB-CD1 4.48Å; L256-Y271 HydrophobicContact CB-CD2 3.91Å; L256-Y271 HydrophobicContact CB-CE1 4.22Å; L256-Y271 HydrophobicContact CB-CE2 3.64Å; L256-Y271 HydrophobicContact CB-CG 4.31Å; L256-Y271 HydrophobicContact CD1-CD1 3.89Å; L256-Y271 HydrophobicContact CD1-CD2 4.42Å; L256-Y271 HydrophobicContact CD1-CE1 4.17Å; L256-Y271 HydrophobicContact CD1-CG 4Å; L256-Y271 HydrophobicContact CD2-CE1 4.37Å; L256-Y271 HydrophobicContact CG-CE1 4.5Å; L256-Y271 WeakPolarHBondContact O-CE2 3.38Å; L256-Y271 VanDerWaalsContact O-CZ 3.32Å; L256-Y271 PolarHBondContact O-OH 3.03Å; Y265-Y271 CarbonylContact O-C 3.56Å; Y265-Y271 VanDerWaalsContact O-CA 3.3Å; Y265-Y271 WeakPolarHBondContact O-CA 3.43Å; Y271-P278 HydrophobicContact CE2-CB 3.89Å; Y271-L279 PolarHBondContact OH-N 3.37Å; Y271-L279 PolarHBondContact OH-O 3.48Å; Y271-C283 HydrophobicContact CE1-CB 3.75Å; Y271-P295 HydrophobicContact CD1-CG 3.92Å; Y271-P295 HydrophobicContact CE1-CG 3.6Å; Y271-P295 HydrophobicContact CE2-CG 4.27Å; Y271-P295 HydrophobicContact CG-CG 4.41Å; Y271-P295 VanDerWaalsContact O-CG 3.31Å; Y271-P295 WeakPolarHBondContact O-CG 3.38Å
272	Q	83	Confident	80.6	Confident	95 Å²	95	51.4 Å²	51.4	44%	0.444	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.4	172.8	-70.3	-175.3	-21	0	0	109.7	C264 Y265 V267	C264-Q272 WeakPolarHBondContact CA-O 3.32Å; Y265-Q272 HydrophobicContact CD1-CB 4.34Å; Y265-Q272 WeakPolarHBondContact CD1-O 3.49Å; Y265-Q272 HydrophobicContact CD2-CB 4.44Å; Y265-Q272 HydrophobicContact CE1-CB 3.71Å; Y265-Q272 WeakPolarHBondContact CE1-O 3.27Å; Y265-Q272 HydrophobicContact CE2-CB 3.85Å; Y265-Q272 VanDerWaalsContact CZ-CB 3.44Å; Y265-Q272 PolarHBondContact N-O 2.96Å; Y265-Q272 PolarHBondContact O-N 3.46Å; Y265-Q272 PolarHBondContact OH-OE1 3.35Å; V267-Q272 HydrophobicContact CG2-CB 4.49Å; V267-Q272 HydrophobicContact CG2-CG 4.29Å
273	C	83.1	Confident	81.8	Confident	20 Å²	20	46.5 Å²	46.5	14%	0.135	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.3	178.2	-55.2	0	0	0	0	108.5	C257 D263 G276	C257-C273 HydrophobicContact CB-CB 3.91Å; C257-C273 WeakPolarHBondContact CB-SG 3.33Å; C257-C273 VanDerWaalsContact SG-CA 3.55Å; C257-C273 WeakPolarHBondContact SG-CB 3.28Å; C257-C273 CovalentContact SG-SG 2.04Å; C257-C273 PolarHBondContact SG-SG 3.21Å; D263-C273 CarbonylContact O-C 3.58Å; D263-C273 WeakPolarHBondContact O-CA 3.4Å; D263-C273 WeakPolarHBondContact OD2-CB 3.33Å; C273-G276 VanDerWaalsContact CB-O 3.23Å; C273-G276 WeakPolarHBondContact CB-O 3.39Å
274	K	77.8	Confident	82.4	Confident	132 Å²	132	48.8 Å²	48.8	57%	0.574	25%	0.248	S	C	*	.	S	Bend	trans	-80.1	-33.4	-175.5	-63.5	167.3	-171.2	152.7	0	112.8	H262 D263 Y265	H262-K274 PolarHBondContact O-NZ 3.14Å; D263-K274 WeakPolarHBondContact O-CG 3.44Å; D263-K274 PolarHBondContact O-N 2.91Å; D263-K274 WeakPolarHBondContact OD1-CB 3.27Å; D263-K274 PolarHBondContact OD2-N 3.01Å; Y265-K274 HydrophobicContact CD1-CD 4.38Å; Y265-K274 HydrophobicContact CD1-CG 3.59Å; Y265-K274 HydrophobicContact CE1-CB 4.36Å; Y265-K274 HydrophobicContact CE1-CG 3.46Å; Y265-K274 VanDerWaalsContact CE1-CG 3.46Å
275	K	80.9	Confident	82.9	Confident	173 Å²	173	54.1 Å²	54.1	75%	0.752	27%	0.267	S	S	*	.	S	Bend	trans	-138.8	-28.6	-177.5	-62.6	-179.9	178.9	177.8	0	113	D263 R309	D263-K275 WeakPolarHBondContact OD1-CB 3.4Å; D263-K275 PolarHBondContact OD1-N 3.43Å; D263-K275 PolarHBondContact OD2-N 3.07Å; K275-R309 PolarHBondContact O-NH1 3.36Å
276	G	82	Confident	83	Confident	14 Å²	14	50.3 Å²	50.3	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	-85.9	-175.4	177.5	0	0	0	0	0	113.1	D258 D263 C273	D258-G276 WeakPolarHBondContact OD1-CA 3.31Å; D263-G276 WeakPolarHBondContact OD2-CA 3.49Å; D263-G276 PolarHBondContact OD2-N 2.93Å; C273-G276 VanDerWaalsContact CB-O 3.23Å; C273-G276 WeakPolarHBondContact CB-O 3.39Å
277	V	88.4	Confident	83.4	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.03	25%	0.245	C	C	.	.			trans	-108.7	136.5	-177.5	-171	0	0	0	0	109.7	C257 D258 L279 D306 Y307	C257-V277 WeakPolarHBondContact CA-O 3.41Å; D258-V277 PolarHBondContact N-O 2.97Å; D258-V277 VanDerWaalsContact N-O 3.08Å; D258-V277 PolarHBondContact OD1-N 3.46Å; V277-L279 PolarHBondContact O-N 2.66Å; V277-D306 HydrophobicContact CG2-CB 3.93Å; V277-Y307 HydrophobicContact CG1-CD1 3.5Å; V277-Y307 HydrophobicContact CG1-CD2 3.95Å; V277-Y307 HydrophobicContact CG1-CE1 3.51Å; V277-Y307 HydrophobicContact CG1-CE2 3.97Å; V277-Y307 HydrophobicContact CG1-CG 3.72Å
278	P	89.2	Confident	83.5	Confident	23 Å²	23	54.7 Å²	54.7	15%	0.149	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-56.4	134.6	170.9	-26.3	35.7	0	0	0	112.7	Y271 I280 P295 Y307 N317	Y271-P278 HydrophobicContact CE2-CB 3.89Å; P278-I280 HydrophobicContact CB-CG1 4.06Å; P278-P295 HydrophobicContact CB-CB 4.42Å; P278-P295 HydrophobicContact CB-CG 4.25Å; P278-Y307 WeakPolarHBondContact O-CE1 3.42Å; P278-N317 PolarHBondContact O-ND2 2.94Å; P278-N317 PolarHBondContact O-OD1 2.9Å; P278-N317 VanDerWaalsContact O-OD1 3.06Å
279	L	89.9	Confident	83.6	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.257	C	S	.	.			trans	-96.8	81.1	171.1	-56.3	-171.2	0	0	0	109.7	M255 L256 D258 Y271 V277 S282 C283 Y316	M255-L279 HydrophobicContact CB-CD1 4.44Å; L256-L279 PolarHBondContact O-N 3.05Å; D258-L279 HydrophobicContact CB-CD2 4.01Å; Y271-L279 PolarHBondContact OH-N 3.37Å; Y271-L279 PolarHBondContact OH-O 3.48Å; V277-L279 PolarHBondContact O-N 2.66Å; L279-S282 WeakPolarHBondContact O-CB 3.29Å; L279-S282 PolarHBondContact O-N 3.06Å; L279-C283 PolarHBondContact O-N 3.46Å; L279-Y316 HydrophobicContact CD1-CG 4.29Å
280	I	90.2	Very high	83.7	Confident	4 Å²	4	51 Å²	51	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-69.5	-36.2	-169	-58.2	168.1	0	0	0	111.2	P278 S282 C283 E284 C294 V297 Y307 N317 T320	P278-I280 HydrophobicContact CB-CG1 4.06Å; I280-S282 VanDerWaalsContact C-N 3.25Å; I280-S282 PolarHBondContact O-N 2.76Å; I280-C283 CarbonylContact O-C 3.59Å; I280-C283 WeakPolarHBondContact O-CB 3.43Å; I280-C283 PolarHBondContact O-N 3.34Å; I280-E284 HydrophobicContact CG2-CG 4.21Å; I280-E284 PolarHBondContact O-N 2.84Å; I280-C294 HydrophobicContact CG2-CB 4.47Å; I280-V297 HydrophobicContact CD1-CG2 3.46Å; I280-V297 VanDerWaalsContact CD1-CG2 3.46Å; I280-Y307 HydrophobicContact CD1-CE1 3.91Å; I280-N317 WeakPolarHBondContact CB-OD1 3.27Å; I280-N317 PolarHBondContact N-OD1 2.89Å; I280-T320 HydrophobicContact CB-CG2 4.19Å; I280-T320 HydrophobicContact CD1-CG2 4.13Å; I280-T320 HydrophobicContact CG2-CG2 3.91Å
281	D	90	Very high	83.5	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-35.6	177.4	-62.3	-8	0	0	0	111.1	Y285 Y316 N317 A318 K319 T320 Q359	D281-Y285 WeakPolarHBondContact O-CB 3.29Å; D281-Y285 PolarHBondContact O-N 3.49Å; D281-Y285 VanDerWaalsContact O-N 3.09Å; D281-Y316 VanDerWaalsContact CB-O 3.29Å; D281-Y316 WeakPolarHBondContact CB-O 3.47Å; D281-Y316 PolarHBondContact N-O 3.37Å; D281-N317 VanDerWaalsContact OD2-C 3.26Å; D281-N317 WeakPolarHBondContact OD2-CA 3.48Å; D281-A318 PolarHBondContact OD2-N 2.91Å; D281-A318 VanDerWaalsContact OD2-N 3.12Å; D281-K319 WeakPolarHBondContact OD2-CB 3.48Å; D281-K319 PolarHBondContact OD2-N 2.93Å; D281-T320 VanDerWaalsContact OD1-CB 3.25Å; D281-T320 WeakPolarHBondContact OD1-CB 3.38Å; D281-T320 PolarHBondContact OD1-N 3.42Å; D281-T320 PolarHBondContact OD1-OG1 3.44Å; D281-Q359 PolarHBondContact OD2-NE2 3.01Å
282	S	85.5	Confident	83.4	Confident	5 Å²	5	58.3 Å²	58.3	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-40.7	173.1	-58	0	0	0	0	111.8	L279 I280 L286 Y316	L279-S282 WeakPolarHBondContact O-CB 3.29Å; L279-S282 PolarHBondContact O-N 3.06Å; I280-S282 VanDerWaalsContact C-N 3.25Å; I280-S282 PolarHBondContact O-N 2.76Å; S282-L286 WeakPolarHBondContact O-CG 3.1Å; S282-L286 PolarHBondContact O-N 2.83Å; S282-Y316 WeakPolarHBondContact OG-CD1 3.33Å
283	C	87.7	Confident	83.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-48.4	175.5	-177.7	0	0	0	0	111.8	L256 Y271 L279 I280 Y285 L286 A287 C294	L256-C283 HydrophobicContact CD2-CB 4.12Å; Y271-C283 HydrophobicContact CE1-CB 3.75Å; L279-C283 PolarHBondContact O-N 3.46Å; I280-C283 CarbonylContact O-C 3.59Å; I280-C283 WeakPolarHBondContact O-CB 3.43Å; I280-C283 PolarHBondContact O-N 3.34Å; C283-Y285 PolarHBondContact O-N 2.8Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.16Å; C283-A287 VanDerWaalsContact O-CB 3.28Å; C283-A287 WeakPolarHBondContact O-CB 3.12Å; C283-A287 PolarHBondContact O-N 3.36Å; C283-C294 HydrophobicContact CB-CB 3.88Å; C283-C294 WeakPolarHBondContact CB-SG 3.45Å; C283-C294 WeakPolarHBondContact SG-CA 3.42Å; C283-C294 WeakPolarHBondContact SG-CB 3.29Å; C283-C294 CovalentContact SG-SG 2.04Å; C283-C294 PolarHBondContact SG-SG 3.36Å
284	E	88.8	Confident	83.6	Confident	63 Å²	63	56.4 Å²	56.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-34	179	-74.8	-166.1	161.7	0	0	112.6	I280 C294 R323	I280-E284 HydrophobicContact CG2-CG 4.21Å; I280-E284 PolarHBondContact O-N 2.84Å; E284-C294 PolarHBondContact N-SG 2.95Å; E284-R323 IonicContact OE1-CZ 3.58Å; E284-R323 IonicContact OE1-NH1 2.81Å; E284-R323 PolarHBondContact OE1-NH1 3.2Å; E284-R323 IonicContact OE2-CZ 2.67Å; E284-R323 IonicContact OE2-NH1 3.97Å; E284-R323 PolarHBondContact OE2-NH1 3.48Å; E284-R323 IonicContact OE2-NH2 3.27Å; E284-R323 PolarHBondContact OE2-NH2 3.11Å
285	Y	85.6	Confident	83.9	Confident	124 Å²	124	51.2 Å²	51.2	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-51.4	174.1	-178	-92	0	0	0	110.9	Y254 D281 C283	Y254-Y285 AromaticContact CE1-CD1 3.99Å; Y254-Y285 HydrophobicContact CE1-CD1 3.99Å; Y254-Y285 HydrophobicContact CE1-CE1 4.3Å; Y254-Y285 HydrophobicContact CE2-CD1 4.41Å; Y254-Y285 HydrophobicContact CE2-CE1 4.22Å; Y254-Y285 AromaticContact CZ-CD1 3.76Å; Y254-Y285 AromaticContact CZ-CE1 3.64Å; Y254-Y285 WeakPolarHBondContact OH-CE1 3.35Å; D281-Y285 WeakPolarHBondContact O-CB 3.29Å; D281-Y285 PolarHBondContact O-N 3.49Å; D281-Y285 VanDerWaalsContact O-N 3.09Å; C283-Y285 PolarHBondContact O-N 2.8Å
286	L	79.6	Confident	83.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-75	-26.3	-178.6	-64.7	174.3	0	0	0	114	A249 Q252 Y254 S282 C283 K288 D289 F290 W292	A249-L286 HydrophobicContact CB-CD1 3.47Å; A249-L286 VanDerWaalsContact CB-CD1 3.47Å; Q252-L286 HydrophobicContact CB-CD2 4.14Å; Q252-L286 HydrophobicContact CG-CD2 4.26Å; Y254-L286 HydrophobicContact CD2-CD1 4.22Å; Y254-L286 HydrophobicContact CD2-CD2 3.88Å; Y254-L286 HydrophobicContact CD2-CG 4.38Å; Y254-L286 HydrophobicContact CE2-CD2 4.07Å; Y254-L286 HydrophobicContact CG-CD1 4.04Å; Y254-L286 HydrophobicContact CG-CD2 4.39Å; Y254-L286 HydrophobicContact CG-CG 4.4Å; S282-L286 WeakPolarHBondContact O-CG 3.1Å; S282-L286 PolarHBondContact O-N 2.83Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.16Å; L286-K288 PolarHBondContact O-N 3.46Å; L286-D289 PolarHBondContact O-N 3.37Å; L286-F290 HydrophobicContact CB-CD2 4.26Å; L286-F290 HydrophobicContact CD2-CE2 4.23Å; L286-F290 PolarHBondContact O-N 2.76Å; L286-W292 HydrophobicContact CB-CE3 4.01Å; L286-W292 HydrophobicContact CB-CH2 4.38Å; L286-W292 HydrophobicContact CB-CZ3 3.63Å; L286-W292 HydrophobicContact CD1-CH2 4.24Å; L286-W292 HydrophobicContact CD1-CZ3 3.75Å; L286-W292 HydrophobicContact CG-CZ3 4.37Å
287	A	84.1	Confident	83.7	Confident	22 Å²	22	52.1 Å²	52.1	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-24.5	179.2	0	0	0	0	0	112.6	C283 D289 N291 W292	C283-A287 VanDerWaalsContact O-CB 3.28Å; C283-A287 WeakPolarHBondContact O-CB 3.12Å; C283-A287 PolarHBondContact O-N 3.36Å; A287-D289 VanDerWaalsContact C-N 3.33Å; A287-N291 VanDerWaalsContact O-CA 3.29Å; A287-N291 WeakPolarHBondContact O-CA 3.23Å; A287-N291 PolarHBondContact O-N 2.83Å; A287-W292 HydrophobicContact CB-CB 4.13Å
288	K	78.7	Confident	83.1	Confident	173 Å²	173	55.6 Å²	55.6	75%	0.752	29%	0.286	S	S	*	.	H	α-helix	trans	-63.3	-37.2	173.3	-64.9	177.5	-177.6	177.8	0	112.9	L286	L286-K288 PolarHBondContact O-N 3.46Å
289	D	75.3	Confident	82.1	Confident	118 Å²	118	59.3 Å²	59.3	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-92.3	-30.6	-175.8	-62.2	-29.4	0	0	0	112.1	L286 A287	L286-D289 PolarHBondContact O-N 3.37Å; A287-D289 VanDerWaalsContact C-N 3.33Å
290	F	73.6	Confident	81.2	Confident	62 Å²	62	66.2 Å²	66.2	27%	0.272	33%	0.334	S	S	.	.	H	α-helix	trans	-115.1	1.1	-172.8	-55.6	-52.7	0	0	0	115.8	Q248 Q252 L286 W292	Q248-F290 HydrophobicContact CG-CD2 4.48Å; Q248-F290 HydrophobicContact CG-CE2 4.29Å; Q248-F290 HydrophobicContact CG-CZ 4.4Å; Q248-F290 VanDerWaalsContact NE2-CG 3.33Å; Q252-F290 HydrophobicContact CG-CE2 3.92Å; Q252-F290 HydrophobicContact CG-CZ 4Å; L286-F290 HydrophobicContact CB-CD2 4.26Å; L286-F290 HydrophobicContact CD2-CE2 4.23Å; L286-F290 PolarHBondContact O-N 2.76Å; F290-W292 HydrophobicContact CB-CD2 3.96Å; F290-W292 VanDerWaalsContact CB-CE2 3.48Å; F290-W292 HydrophobicContact CB-CG 4.13Å; F290-W292 HydrophobicContact CB-CZ2 3.92Å; F290-W292 AromaticContact CD2-CH2 3.78Å; F290-W292 HydrophobicContact CD2-CH2 3.78Å; F290-W292 AromaticContact CD2-CZ2 3.62Å; F290-W292 HydrophobicContact CD2-CZ2 3.62Å; F290-W292 HydrophobicContact CD2-CZ3 4.32Å; F290-W292 HydrophobicContact CE2-CH2 4.37Å; F290-W292 HydrophobicContact CE2-CZ2 4.44Å; F290-W292 HydrophobicContact CG-CZ2 4Å; F290-W292 VanDerWaalsContact O-CD1 3.31Å
291	N	77.5	Confident	80.5	Confident	145 Å²	145	67 Å²	67	78%	0.775	34%	0.34	S	S	*	.			trans	54.9	52	177.5	-165.6	41	0	0	0	113.3	A287	A287-N291 VanDerWaalsContact O-CA 3.29Å; A287-N291 WeakPolarHBondContact O-CA 3.23Å; A287-N291 PolarHBondContact O-N 2.83Å
292	W	80.7	Confident	79.7	Confident	31 Å²	31	72 Å²	72	12%	0.117	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-94.7	152.9	-177.4	-68.9	-13.8	0	0	0	113.5	M245 Q248 A249 L286 A287 F290	M245-W292 HydrophobicContact CB-CD2 4.27Å; M245-W292 HydrophobicContact CB-CE3 4.37Å; M245-W292 HydrophobicContact CB-CH2 4.31Å; M245-W292 HydrophobicContact CB-CZ2 4.19Å; M245-W292 HydrophobicContact CB-CZ3 4.39Å; M245-W292 HydrophobicContact CE-CB 3.75Å; M245-W292 HydrophobicContact CE-CD2 3.87Å; M245-W292 HydrophobicContact CE-CE3 3.91Å; M245-W292 HydrophobicContact CE-CG 3.84Å; M245-W292 HydrophobicContact CG-CD2 3.91Å; M245-W292 HydrophobicContact CG-CE3 4.46Å; M245-W292 HydrophobicContact CG-CG 4.1Å; M245-W292 HydrophobicContact CG-CZ2 4.3Å; M245-W292 WeakPolarHBondContact O-CH2 3.47Å; M245-W292 HydrophobicContact SD-CB 4.45Å; M245-W292 HydrophobicContact SD-CG 4.27Å; Q248-W292 HydrophobicContact CB-CH2 4.1Å; Q248-W292 HydrophobicContact CB-CZ2 3.77Å; Q248-W292 HydrophobicContact CG-CH2 4.15Å; Q248-W292 HydrophobicContact CG-CZ2 3.68Å; A249-W292 HydrophobicContact CB-CH2 3.93Å; A249-W292 HydrophobicContact CB-CZ3 4.03Å; L286-W292 HydrophobicContact CB-CE3 4.01Å; L286-W292 HydrophobicContact CB-CH2 4.38Å; L286-W292 HydrophobicContact CB-CZ3 3.63Å; L286-W292 HydrophobicContact CD1-CH2 4.24Å; L286-W292 HydrophobicContact CD1-CZ3 3.75Å; L286-W292 HydrophobicContact CG-CZ3 4.37Å; A287-W292 HydrophobicContact CB-CB 4.13Å; F290-W292 HydrophobicContact CB-CD2 3.96Å; F290-W292 VanDerWaalsContact CB-CE2 3.48Å; F290-W292 HydrophobicContact CB-CG 4.13Å; F290-W292 HydrophobicContact CB-CZ2 3.92Å; F290-W292 AromaticContact CD2-CH2 3.78Å; F290-W292 HydrophobicContact CD2-CH2 3.78Å; F290-W292 AromaticContact CD2-CZ2 3.62Å; F290-W292 HydrophobicContact CD2-CZ2 3.62Å; F290-W292 HydrophobicContact CD2-CZ3 4.32Å; F290-W292 HydrophobicContact CE2-CH2 4.37Å; F290-W292 HydrophobicContact CE2-CZ2 4.44Å; F290-W292 HydrophobicContact CG-CZ2 4Å; F290-W292 VanDerWaalsContact O-CD1 3.31Å
293	S	82.7	Confident	79.3	Confident	59 Å²	59	77.5 Å²	77.5	41%	0.413	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-92	119.3	167.5	-51	0	0	0	0	109.8	N269 S270	N269-S293 VanDerWaalsContact O-CB 3.29Å; N269-S293 WeakPolarHBondContact O-CB 3.23Å; N269-S293 PolarHBondContact O-N 3.24Å; S270-S293 WeakPolarHBondContact CA-O 3.25Å; S270-S293 VanDerWaalsContact CB-O 3.25Å; S270-S293 WeakPolarHBondContact CB-O 3.39Å; S270-S293 PolarHBondContact OG-O 2.92Å; S270-S293 VanDerWaalsContact OG-O 3.11Å
294	C	86.5	Confident	79.1	Confident	17 Å²	17	78 Å²	78	12%	0.115	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-89.7	156.2	177.5	-61.4	0	0	0	0	112.3	I280 C283 E284 H296	I280-C294 HydrophobicContact CG2-CB 4.47Å; C283-C294 HydrophobicContact CB-CB 3.88Å; C283-C294 WeakPolarHBondContact CB-SG 3.45Å; C283-C294 WeakPolarHBondContact SG-CA 3.42Å; C283-C294 WeakPolarHBondContact SG-CB 3.29Å; C283-C294 CovalentContact SG-SG 2.04Å; C283-C294 PolarHBondContact SG-SG 3.36Å; E284-C294 PolarHBondContact N-SG 2.95Å; C294-H296 PolarHBondContact O-N 3.25Å
295	P	84.1	Confident	78.9	Confident	23 Å²	23	77.9 Å²	77.9	15%	0.149	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.6	173.1	-26.8	37.3	0	0	0	111.9	Y271 P278	Y271-P295 HydrophobicContact CD1-CG 3.92Å; Y271-P295 HydrophobicContact CE1-CG 3.6Å; Y271-P295 HydrophobicContact CE2-CG 4.27Å; Y271-P295 HydrophobicContact CG-CG 4.41Å; Y271-P295 VanDerWaalsContact O-CG 3.31Å; Y271-P295 WeakPolarHBondContact O-CG 3.38Å; P278-P295 HydrophobicContact CB-CB 4.42Å; P278-P295 HydrophobicContact CB-CG 4.25Å
296	H	80.6	Confident	78.9	Confident	183 Å²	183	74.9 Å²	74.9	85%	0.847	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-100.2	128.7	176.3	-67.3	-59.4	0	0	0	110.9	C294	C294-H296 PolarHBondContact O-N 3.25Å
297	V	78.9	Confident	79.2	Confident	23 Å²	23	75.5 Å²	75.5	14%	0.139	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-92.6	117.9	173.9	173.4	0	0	0	0	109.4	I280 I304 Y307 I324	I280-V297 HydrophobicContact CD1-CG2 3.46Å; I280-V297 VanDerWaalsContact CD1-CG2 3.46Å; V297-I304 HydrophobicContact CG1-CD1 4.17Å; V297-I304 HydrophobicContact CG1-CG1 3.54Å; V297-Y307 HydrophobicContact CG2-CE1 4.15Å; V297-Y307 HydrophobicContact CG2-CE2 3.89Å; V297-Y307 VanDerWaalsContact CG2-OH 3.27Å; V297-Y307 WeakPolarHBondContact CG2-OH 3.22Å; V297-I324 HydrophobicContact CB-CD1 3.74Å; V297-I324 HydrophobicContact CG1-CD1 4.02Å
298	S	76	Confident	79.3	Confident	78 Å²	78	75.1 Å²	75.1	55%	0.545	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-82.4	134.1	174.4	178.8	0	0	0	0	110.5	N300 S301 I304	S298-N300 PolarHBondContact O-N 3.33Å; S298-S301 PolarHBondContact O-N 3.41Å; S298-I304 WeakPolarHBondContact O-CD1 3.21Å
299	R	68.1	Low	79.5	Confident	100 Å²	100	73.1 Å²	73.1	38%	0.377	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.2	-176.9	-172.1	179.8	-99.4	-156.9	-3.7	114.5	I304 I324 Y328	R299-I304 VanDerWaalsContact O-CD1 3.29Å; R299-I304 WeakPolarHBondContact O-CD1 3.12Å; R299-I324 HydrophobicContact CB-CG2 4.29Å; R299-I324 PolarHBondContact NE-O 3.35Å; R299-I324 PolarHBondContact NH2-O 3.21Å; R299-Y328 WeakPolarHBondContact CA-OH 3.41Å; R299-Y328 VanDerWaalsContact CG-OH 3.22Å; R299-Y328 WeakPolarHBondContact CG-OH 3.31Å; R299-Y328 PolarHBondContact O-OH 3.35Å
300	N	71.4	Confident	80.1	Confident	147 Å²	147	68.7 Å²	68.7	79%	0.786	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	12.8	-177.5	-63.7	-5.2	0	0	0	114.1	S298	S298-N300 PolarHBondContact O-N 3.33Å
301	S	74.5	Confident	80.7	Confident	21 Å²	21	65.9 Å²	65.9	15%	0.147	36%	0.356	C	S	.	.			trans	-78.8	139.6	177.1	92	0	0	0	0	111.9	S298 E303 I304	S298-S301 PolarHBondContact O-N 3.41Å; S301-E303 WeakPolarHBondContact CB-OE2 3.5Å; S301-E303 PolarHBondContact O-N 2.86Å; S301-E303 PolarHBondContact OG-OE2 3.11Å; S301-I304 WeakPolarHBondContact O-CB 3.46Å; S301-I304 WeakPolarHBondContact O-CD1 3.09Å; S301-I304 WeakPolarHBondContact O-CG1 3.46Å; S301-I304 PolarHBondContact O-N 3.14Å
302	P	74.3	Confident	81.1	Confident	115 Å²	115	61 Å²	61	75%	0.747	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.7	178.2	26.9	-34	0	0	0	112.3	I304 A305	P302-I304 PolarHBondContact O-N 2.85Å; P302-A305 PolarHBondContact O-N 3.34Å
303	E	77.6	Confident	81.5	Confident	120 Å²	120	59.6 Å²	59.6	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.5	177.8	-53.5	130.5	171.7	0	0	112.8	S301 A305 D306 Y307	S301-E303 WeakPolarHBondContact CB-OE2 3.5Å; S301-E303 PolarHBondContact O-N 2.86Å; S301-E303 PolarHBondContact OG-OE2 3.11Å; E303-A305 PolarHBondContact O-N 3.42Å; E303-A305 VanDerWaalsContact O-N 3.12Å; E303-D306 WeakPolarHBondContact O-CB 3.21Å; E303-D306 PolarHBondContact O-N 3.48Å; E303-Y307 WeakPolarHBondContact O-CD2 3.22Å
304	I	82.8	Confident	81.9	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.062	30%	0.304	C	S	.	.	H	α-helix	trans	-51.1	-37.8	174.8	-72.3	164.8	0	0	0	110.8	V297 S298 R299 S301 P302 D306 Y307 Y328 F332	V297-I304 HydrophobicContact CG1-CD1 4.17Å; V297-I304 HydrophobicContact CG1-CG1 3.54Å; S298-I304 WeakPolarHBondContact O-CD1 3.21Å; R299-I304 VanDerWaalsContact O-CD1 3.29Å; R299-I304 WeakPolarHBondContact O-CD1 3.12Å; S301-I304 WeakPolarHBondContact O-CB 3.46Å; S301-I304 WeakPolarHBondContact O-CD1 3.09Å; S301-I304 WeakPolarHBondContact O-CG1 3.46Å; S301-I304 PolarHBondContact O-N 3.14Å; P302-I304 PolarHBondContact O-N 2.85Å; I304-D306 PolarHBondContact O-N 3.34Å; I304-Y307 WeakPolarHBondContact O-CB 3.41Å; I304-Y307 PolarHBondContact O-N 3.42Å; I304-Y328 HydrophobicContact CD1-CE1 4.16Å; I304-Y328 HydrophobicContact CD1-CE2 4.4Å; I304-Y328 HydrophobicContact CG2-CD1 3.63Å; I304-Y328 HydrophobicContact CG2-CE1 3.65Å; I304-Y328 HydrophobicContact CG2-CG 4.11Å; I304-F332 HydrophobicContact CG2-CE2 4.46Å; I304-F332 HydrophobicContact CG2-CZ 3.69Å; I304-F332 WeakPolarHBondContact O-CZ 3.39Å
305	A	83.6	Confident	82.1	Confident	59 Å²	59	56 Å²	56	49%	0.488	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-28.6	-179.6	0	0	0	0	0	114	P302 E303 Y307 G308	P302-A305 PolarHBondContact O-N 3.34Å; E303-A305 PolarHBondContact O-N 3.42Å; E303-A305 VanDerWaalsContact O-N 3.12Å; A305-Y307 VanDerWaalsContact C-N 3.35Å; A305-G308 PolarHBondContact O-N 3.48Å
306	D	85.5	Confident	82.4	Confident	62 Å²	62	56.5 Å²	56.5	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-72.7	-27.4	-179.5	-71.8	-44.8	0	0	0	112.7	V277 E303 I304 G308 R309	V277-D306 HydrophobicContact CG2-CB 3.93Å; E303-D306 WeakPolarHBondContact O-CB 3.21Å; E303-D306 PolarHBondContact O-N 3.48Å; I304-D306 PolarHBondContact O-N 3.34Å; D306-G308 PolarHBondContact O-N 2.63Å; D306-G308 VanDerWaalsContact O-N 3.15Å; D306-R309 WeakPolarHBondContact O-CB 3.37Å; D306-R309 PolarHBondContact O-N 3.01Å; D306-R309 IonicContact OD1-CZ 2.68Å; D306-R309 IonicContact OD1-NE 3.7Å; D306-R309 PolarHBondContact OD1-NE 3.42Å; D306-R309 IonicContact OD1-NH2 3.9Å; D306-R309 PolarHBondContact OD1-NH2 2.89Å; D306-R309 IonicContact OD2-NH2 3.22Å
307	Y	87.4	Confident	83	Confident	16 Å²	16	47.8 Å²	47.8	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-27.7	172.3	-67.4	-98.2	0	0	0	112	V277 P278 I280 V297 E303 I304 A305 R309 S313 I314 N317 L321	V277-Y307 HydrophobicContact CG1-CD1 3.5Å; V277-Y307 HydrophobicContact CG1-CD2 3.95Å; V277-Y307 HydrophobicContact CG1-CE1 3.51Å; V277-Y307 HydrophobicContact CG1-CE2 3.97Å; V277-Y307 HydrophobicContact CG1-CG 3.72Å; P278-Y307 WeakPolarHBondContact O-CE1 3.42Å; I280-Y307 HydrophobicContact CD1-CE1 3.91Å; V297-Y307 HydrophobicContact CG2-CE1 4.15Å; V297-Y307 HydrophobicContact CG2-CE2 3.89Å; V297-Y307 VanDerWaalsContact CG2-OH 3.27Å; V297-Y307 WeakPolarHBondContact CG2-OH 3.22Å; E303-Y307 WeakPolarHBondContact O-CD2 3.22Å; I304-Y307 WeakPolarHBondContact O-CB 3.41Å; I304-Y307 PolarHBondContact O-N 3.42Å; A305-Y307 VanDerWaalsContact C-N 3.35Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 2.81Å; Y307-S313 CarbonylContact O-C 3.52Å; Y307-S313 PolarHBondContact O-OG 3.49Å; Y307-I314 WeakPolarHBondContact O-CG1 3.25Å; Y307-I314 PolarHBondContact O-N 3.13Å; Y307-N317 HydrophobicContact CD1-CB 3.91Å; Y307-N317 HydrophobicContact CE1-CB 4.46Å; Y307-L321 HydrophobicContact CG-CD2 4.38Å
308	G	84.7	Confident	83.6	Confident	13 Å²	13	46.8 Å²	46.8	13%	0.134	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.2	174	0	0	0	0	0	116	A305 D306 F332	A305-G308 PolarHBondContact O-N 3.48Å; D306-G308 PolarHBondContact O-N 2.63Å; D306-G308 VanDerWaalsContact O-N 3.15Å; G308-F332 VanDerWaalsContact CA-CG 3.48Å
309	R	84.5	Confident	84.2	Confident	131 Å²	131	44.8 Å²	44.8	49%	0.494	23%	0.233	S	C	.	.	S	Bend	trans	-71.3	-31.2	-170.7	-169.1	-170.6	-69.2	174.6	-4	114	K275 D306 Y307	K275-R309 PolarHBondContact O-NH1 3.36Å; D306-R309 WeakPolarHBondContact O-CB 3.37Å; D306-R309 PolarHBondContact O-N 3.01Å; D306-R309 IonicContact OD1-CZ 2.68Å; D306-R309 IonicContact OD1-NE 3.7Å; D306-R309 PolarHBondContact OD1-NE 3.42Å; D306-R309 IonicContact OD1-NH2 3.9Å; D306-R309 PolarHBondContact OD1-NH2 2.89Å; D306-R309 IonicContact OD2-NH2 3.22Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 2.81Å
310	S	86.5	Confident	85.2	Confident	25 Å²	25	40.5 Å²	40.5	18%	0.175	22%	0.218	C	C	.	.			trans	-143.9	153.8	-178.2	73.8	0	0	0	0	112.4	H312 S313 I314	S310-H312 PolarHBondContact O-N 3.34Å; S310-S313 PolarHBondContact N-OG 3.04Å; S310-S313 VanDerWaalsContact N-OG 3.15Å; S310-S313 PolarHBondContact O-N 2.94Å; S310-S313 PolarHBondContact O-OG 2.91Å; S310-S313 WeakPolarHBondContact OG-CB 3.3Å; S310-S313 PolarHBondContact OG-N 3.47Å; S310-S313 PolarHBondContact OG-OG 2.91Å; S310-I314 WeakPolarHBondContact O-CG1 3.35Å; S310-I314 PolarHBondContact O-N 2.99Å
311	L	87	Confident	86	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-28.6	174	-174.1	62.6	0	0	0	112.1	S315 F336 I341 L345 V356 L409 I413	L311-S315 WeakPolarHBondContact O-CB 3.43Å; L311-S315 PolarHBondContact O-N 3.49Å; L311-S315 PolarHBondContact O-OG 3.41Å; L311-F336 HydrophobicContact CB-CE1 4.49Å; L311-I341 HydrophobicContact CD2-CG2 4.4Å; L311-L345 HydrophobicContact CD2-CD2 3.9Å; L311-L345 HydrophobicContact CD2-CG 4.33Å; L311-V356 HydrophobicContact CD2-CG1 4.3Å; L311-V356 HydrophobicContact CG-CG1 4.07Å; L311-L409 HydrophobicContact CD1-CD1 3.96Å; L311-L409 HydrophobicContact CD1-CD2 3.9Å; L311-L409 HydrophobicContact CD1-CG 4.39Å; L311-I413 HydrophobicContact CD2-CD1 4.38Å
312	H	86.4	Confident	86.6	Confident	44 Å²	44	33 Å²	33	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-52.3	174.2	-169.4	-94.6	0	0	0	111.7	S310 I314 S315 Y316	S310-H312 PolarHBondContact O-N 3.34Å; H312-I314 VanDerWaalsContact C-N 3.3Å; H312-I314 PolarHBondContact O-N 3.26Å; H312-S315 PolarHBondContact O-N 3Å; H312-S315 PolarHBondContact O-OG 2.93Å; H312-Y316 AromaticContact CD2-CD2 3.84Å; H312-Y316 AromaticContact CD2-CE2 3.64Å; H312-Y316 AromaticContact CE1-CD2 3.82Å; H312-Y316 AromaticContact CE1-CE2 3.94Å; H312-Y316 AromaticContact NE2-CD2 3.62Å; H312-Y316 AromaticContact NE2-CE2 3.31Å; H312-Y316 VanDerWaalsContact NE2-CE2 3.31Å; H312-Y316 WeakPolarHBondContact NE2-CE2 3.35Å; H312-Y316 WeakPolarHBondContact O-CD2 3.29Å; H312-Y316 PolarHBondContact O-N 3.18Å; H312-Y316 VanDerWaalsContact O-N 3.11Å
313	S	89	Confident	87	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-33.9	178.4	63.5	0	0	0	0	112.6	Y307 S310 N317	Y307-S313 CarbonylContact O-C 3.52Å; Y307-S313 PolarHBondContact O-OG 3.49Å; S310-S313 PolarHBondContact N-OG 3.04Å; S310-S313 VanDerWaalsContact N-OG 3.15Å; S310-S313 PolarHBondContact O-N 2.94Å; S310-S313 PolarHBondContact O-OG 2.91Å; S310-S313 WeakPolarHBondContact OG-CB 3.3Å; S310-S313 PolarHBondContact OG-N 3.47Å; S310-S313 PolarHBondContact OG-OG 2.91Å; S313-N317 WeakPolarHBondContact O-CB 3.41Å; S313-N317 PolarHBondContact O-N 2.93Å; S313-N317 PolarHBondContact O-ND2 3.5Å
314	I	91.1	Very high	87.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-52.2	174.3	-66.4	171.9	0	0	0	110.9	Y307 S310 H312 Y316 N317 A318 F332 F336	Y307-I314 WeakPolarHBondContact O-CG1 3.25Å; Y307-I314 PolarHBondContact O-N 3.13Å; S310-I314 WeakPolarHBondContact O-CG1 3.35Å; S310-I314 PolarHBondContact O-N 2.99Å; H312-I314 VanDerWaalsContact C-N 3.3Å; H312-I314 PolarHBondContact O-N 3.26Å; I314-Y316 PolarHBondContact O-N 3.41Å; I314-N317 CarbonylContact O-C 3.59Å; I314-N317 PolarHBondContact O-N 3.42Å; I314-A318 WeakPolarHBondContact O-CA 3.49Å; I314-A318 WeakPolarHBondContact O-CB 3.31Å; I314-A318 PolarHBondContact O-N 3.38Å; I314-F332 HydrophobicContact CD1-CB 3.89Å; I314-F332 HydrophobicContact CG1-CB 4.48Å; I314-F336 HydrophobicContact CD1-CD2 4.3Å; I314-F336 HydrophobicContact CD1-CE2 3.31Å; I314-F336 HydrophobicContact CD1-CZ 3.48Å; I314-F336 VanDerWaalsContact CD1-CZ 3.48Å
315	S	90.7	Very high	87.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-46.2	-175.5	50.6	0	0	0	0	112.2	L311 H312 N317 A318 Q359	L311-S315 WeakPolarHBondContact O-CB 3.43Å; L311-S315 PolarHBondContact O-N 3.49Å; L311-S315 PolarHBondContact O-OG 3.41Å; H312-S315 PolarHBondContact O-N 3Å; H312-S315 PolarHBondContact O-OG 2.93Å; S315-N317 PolarHBondContact O-N 2.82Å; S315-A318 PolarHBondContact O-N 3.22Å; S315-Q359 WeakPolarHBondContact O-CG 3.26Å; S315-Q359 PolarHBondContact O-NE2 3.27Å
316	Y	90.6	Very high	87.2	Confident	34 Å²	34	27.3 Å²	27.3	13%	0.133	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	8.1	179.1	-76.1	-83.8	0	0	0	115.5	L279 D281 S282 H312 I314 S355 V356 Q359	L279-Y316 HydrophobicContact CD1-CG 4.29Å; D281-Y316 VanDerWaalsContact CB-O 3.29Å; D281-Y316 WeakPolarHBondContact CB-O 3.47Å; D281-Y316 PolarHBondContact N-O 3.37Å; S282-Y316 WeakPolarHBondContact OG-CD1 3.33Å; H312-Y316 AromaticContact CD2-CD2 3.84Å; H312-Y316 AromaticContact CD2-CE2 3.64Å; H312-Y316 AromaticContact CE1-CD2 3.82Å; H312-Y316 AromaticContact CE1-CE2 3.94Å; H312-Y316 AromaticContact NE2-CD2 3.62Å; H312-Y316 AromaticContact NE2-CE2 3.31Å; H312-Y316 VanDerWaalsContact NE2-CE2 3.31Å; H312-Y316 WeakPolarHBondContact NE2-CE2 3.35Å; H312-Y316 WeakPolarHBondContact O-CD2 3.29Å; H312-Y316 PolarHBondContact O-N 3.18Å; H312-Y316 VanDerWaalsContact O-N 3.11Å; I314-Y316 PolarHBondContact O-N 3.41Å; Y316-S355 PolarHBondContact OH-OG 3.4Å; Y316-V356 HydrophobicContact CE2-CG2 4.37Å; Y316-Q359 HydrophobicContact CD1-CG 4.13Å; Y316-Q359 HydrophobicContact CE1-CG 4.42Å; Y316-Q359 HydrophobicContact CG-CG 4.28Å
317	N	92.2	Very high	87	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	6.6	169.5	-71.2	-72.3	0	0	0	112.7	P278 I280 D281 Y307 S313 I314 S315 K319 T320 L321	P278-N317 PolarHBondContact O-ND2 2.94Å; P278-N317 PolarHBondContact O-OD1 2.9Å; P278-N317 VanDerWaalsContact O-OD1 3.06Å; I280-N317 WeakPolarHBondContact CB-OD1 3.27Å; I280-N317 PolarHBondContact N-OD1 2.89Å; D281-N317 VanDerWaalsContact OD2-C 3.26Å; D281-N317 WeakPolarHBondContact OD2-CA 3.48Å; Y307-N317 HydrophobicContact CD1-CB 3.91Å; Y307-N317 HydrophobicContact CE1-CB 4.46Å; S313-N317 WeakPolarHBondContact O-CB 3.41Å; S313-N317 PolarHBondContact O-N 2.93Å; S313-N317 PolarHBondContact O-ND2 3.5Å; I314-N317 CarbonylContact O-C 3.59Å; I314-N317 PolarHBondContact O-N 3.42Å; S315-N317 PolarHBondContact O-N 2.82Å; N317-K319 VanDerWaalsContact C-N 3.3Å; N317-K319 PolarHBondContact O-N 2.97Å; N317-T320 PolarHBondContact O-N 2.91Å; N317-L321 HydrophobicContact CB-CD1 4.05Å; N317-L321 HydrophobicContact CB-CG 4.19Å; N317-L321 WeakPolarHBondContact O-CB 3.36Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.23Å; N317-L321 PolarHBondContact O-N 3.38Å
318	A	91.2	Very high	86.9	Confident	1 Å²	1	27 Å²	27	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-33.7	-168.4	0	0	0	0	0	112.4	D281 I314 S315 Y322 I329 S363 F406	D281-A318 PolarHBondContact OD2-N 2.91Å; D281-A318 VanDerWaalsContact OD2-N 3.12Å; I314-A318 WeakPolarHBondContact O-CA 3.49Å; I314-A318 WeakPolarHBondContact O-CB 3.31Å; I314-A318 PolarHBondContact O-N 3.38Å; S315-A318 PolarHBondContact O-N 3.22Å; A318-Y322 WeakPolarHBondContact O-CB 3.04Å; A318-Y322 PolarHBondContact O-N 2.96Å; A318-Y322 VanDerWaalsContact O-N 3.11Å; A318-I329 HydrophobicContact CB-CD1 4.21Å; A318-S363 WeakPolarHBondContact CB-OG 3.25Å; A318-F406 HydrophobicContact CB-CE1 3.97Å; A318-F406 HydrophobicContact CB-CZ 3.9Å
319	K	89.9	Confident	86.9	Confident	36 Å²	36	26.4 Å²	26.4	16%	0.157	12%	0.119	C	C	.	.	H	α-helix	trans	-69.8	-48.8	176.3	-57.6	173.8	-176.8	169.2	0	109.8	D281 N317 Y322 R323 D362 F366	D281-K319 WeakPolarHBondContact OD2-CB 3.48Å; D281-K319 PolarHBondContact OD2-N 2.93Å; N317-K319 VanDerWaalsContact C-N 3.3Å; N317-K319 PolarHBondContact O-N 2.97Å; K319-Y322 PolarHBondContact O-N 3.48Å; K319-R323 WeakPolarHBondContact O-CG 3.37Å; K319-R323 PolarHBondContact O-N 2.9Å; K319-R323 VanDerWaalsContact O-N 3.11Å; K319-D362 WeakPolarHBondContact CE-O 3Å; K319-D362 IonicContact NZ-OD2 2.79Å; K319-D362 PolarHBondContact NZ-OD2 3.32Å; K319-F366 HydrophobicContact CB-CD1 3.85Å; K319-F366 HydrophobicContact CB-CE1 4.3Å; K319-F366 HydrophobicContact CB-CG 4.16Å; K319-F366 HydrophobicContact CD-CB 4.2Å; K319-F366 HydrophobicContact CD-CG 4.3Å; K319-F366 HydrophobicContact CG-CB 3.95Å; K319-F366 HydrophobicContact CG-CD1 4.04Å; K319-F366 HydrophobicContact CG-CG 3.96Å
320	T	88.1	Confident	86.8	Confident	11 Å²	11	20.4 Å²	20.4	7%	0.067	10%	0.097	C	C	.	.	H	α-helix	trans	-58.9	-51.3	177.6	-63.1	0	0	0	0	112.2	I280 D281 N317 Y322 R323 I324	I280-T320 HydrophobicContact CB-CG2 4.19Å; I280-T320 HydrophobicContact CD1-CG2 4.13Å; I280-T320 HydrophobicContact CG2-CG2 3.91Å; D281-T320 VanDerWaalsContact OD1-CB 3.25Å; D281-T320 WeakPolarHBondContact OD1-CB 3.38Å; D281-T320 PolarHBondContact OD1-N 3.42Å; D281-T320 PolarHBondContact OD1-OG1 3.44Å; N317-T320 PolarHBondContact O-N 2.91Å; T320-Y322 VanDerWaalsContact C-N 3.34Å; T320-Y322 PolarHBondContact O-N 3.18Å; T320-R323 PolarHBondContact O-N 2.97Å; T320-I324 HydrophobicContact CG2-CD1 3.91Å; T320-I324 WeakPolarHBondContact O-CG1 3.4Å; T320-I324 PolarHBondContact O-N 3.45Å
321	L	88.3	Confident	86.6	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-44.5	178.7	-72.3	170.3	0	0	0	111.7	Y307 N317 R323 I324 N325 Y328 I329 F332	Y307-L321 HydrophobicContact CG-CD2 4.38Å; N317-L321 HydrophobicContact CB-CD1 4.05Å; N317-L321 HydrophobicContact CB-CG 4.19Å; N317-L321 WeakPolarHBondContact O-CB 3.36Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.23Å; N317-L321 PolarHBondContact O-N 3.38Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.43Å; L321-I324 PolarHBondContact O-N 3.5Å; L321-N325 CarbonylContact O-C 3.59Å; L321-N325 PolarHBondContact O-N 3.36Å; L321-N325 VanDerWaalsContact O-O 3.06Å; L321-Y328 HydrophobicContact CD2-CD2 4.37Å; L321-I329 HydrophobicContact CB-CD1 3.67Å; L321-I329 HydrophobicContact CB-CG1 4.33Å; L321-I329 HydrophobicContact CD1-CD1 3.91Å; L321-I329 HydrophobicContact CG-CD1 4.48Å; L321-F332 HydrophobicContact CD1-CD2 4.3Å; L321-F332 HydrophobicContact CD1-CE2 4.09Å; L321-F332 HydrophobicContact CD2-CE2 4.25Å
322	Y	86.6	Confident	86.6	Confident	10 Å²	10	23.2 Å²	23.2	4%	0.039	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-37	178.6	-175.5	-103.3	0	0	0	112.9	A318 K319 T320 P326 F366 A367 M370 T402	A318-Y322 WeakPolarHBondContact O-CB 3.04Å; A318-Y322 PolarHBondContact O-N 2.96Å; A318-Y322 VanDerWaalsContact O-N 3.11Å; K319-Y322 PolarHBondContact O-N 3.48Å; T320-Y322 VanDerWaalsContact C-N 3.34Å; T320-Y322 PolarHBondContact O-N 3.18Å; Y322-P326 HydrophobicContact CD2-CB 3.7Å; Y322-P326 HydrophobicContact CE2-CB 3.65Å; Y322-F366 HydrophobicContact CD1-CD1 4.35Å; Y322-F366 HydrophobicContact CD1-CE1 4.2Å; Y322-A367 HydrophobicContact CD1-CB 4.01Å; Y322-A367 HydrophobicContact CD2-CB 4.35Å; Y322-A367 VanDerWaalsContact CE1-CA 3.45Å; Y322-A367 HydrophobicContact CE1-CB 3.67Å; Y322-A367 HydrophobicContact CE2-CB 4.03Å; Y322-A367 HydrophobicContact CG-CB 4.34Å; Y322-A367 PolarHBondContact OH-O 2.78Å; Y322-M370 HydrophobicContact CD1-CE 3.65Å; Y322-M370 HydrophobicContact CD1-SD 4Å; Y322-M370 HydrophobicContact CE1-CB 4.35Å; Y322-M370 HydrophobicContact CE1-CE 3.39Å; Y322-M370 HydrophobicContact CE1-SD 3.98Å; Y322-T402 HydrophobicContact CD2-CG2 3.71Å; Y322-T402 HydrophobicContact CE2-CG2 3.79Å
323	R	84	Confident	86.3	Confident	99 Å²	99	21.8 Å²	21.8	37%	0.374	10%	0.104	S	C	.	.	H	α-helix	trans	-64.7	-38	173.9	-67.4	179.2	-151.1	155.1	9.9	112.7	E284 K319 T320 L321 F366 M370	E284-R323 IonicContact OE1-CZ 3.58Å; E284-R323 IonicContact OE1-NH1 2.81Å; E284-R323 PolarHBondContact OE1-NH1 3.2Å; E284-R323 IonicContact OE2-CZ 2.67Å; E284-R323 IonicContact OE2-NH1 3.97Å; E284-R323 PolarHBondContact OE2-NH1 3.48Å; E284-R323 IonicContact OE2-NH2 3.27Å; E284-R323 PolarHBondContact OE2-NH2 3.11Å; K319-R323 WeakPolarHBondContact O-CG 3.37Å; K319-R323 PolarHBondContact O-N 2.9Å; K319-R323 VanDerWaalsContact O-N 3.11Å; T320-R323 PolarHBondContact O-N 2.97Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.43Å; R323-F366 HydrophobicContact CG-CE1 3.62Å; R323-F366 HydrophobicContact CG-CZ 3.64Å; R323-M370 HydrophobicContact CG-SD 4.08Å
324	I	82.5	Confident	85.7	Confident	38 Å²	38	25.6 Å²	25.6	20%	0.195	13%	0.13	C	C	.	.	H	α-helix	trans	-78.4	-50.8	-176.1	-58.7	164.1	0	0	0	111.1	V297 R299 T320 L321 Y328	V297-I324 HydrophobicContact CB-CD1 3.74Å; V297-I324 HydrophobicContact CG1-CD1 4.02Å; R299-I324 HydrophobicContact CB-CG2 4.29Å; R299-I324 PolarHBondContact NE-O 3.35Å; R299-I324 PolarHBondContact NH2-O 3.21Å; T320-I324 HydrophobicContact CG2-CD1 3.91Å; T320-I324 WeakPolarHBondContact O-CG1 3.4Å; T320-I324 PolarHBondContact O-N 3.45Å; L321-I324 PolarHBondContact O-N 3.5Å; I324-Y328 HydrophobicContact CB-CE2 4.36Å; I324-Y328 HydrophobicContact CG2-CE2 3.9Å
325	N	82.8	Confident	85	Confident	20 Å²	20	32.2 Å²	32.2	11%	0.107	16%	0.159	C	C	.	.			trans	-159.6	120.7	166.3	-172.2	-0.4	0	0	0	110.5	L321 D327 Y328	L321-N325 CarbonylContact O-C 3.59Å; L321-N325 PolarHBondContact O-N 3.36Å; L321-N325 VanDerWaalsContact O-O 3.06Å; N325-D327 PolarHBondContact ND2-OD2 3.37Å; N325-D327 VanDerWaalsContact ND2-OD2 3.13Å; N325-D327 PolarHBondContact O-N 2.95Å; N325-D327 VanDerWaalsContact OD1-CG 3.29Å; N325-D327 PolarHBondContact OD1-N 3.45Å; N325-D327 VanDerWaalsContact OD1-N 3.07Å; N325-D327 PolarHBondContact OD1-OD2 3.36Å; N325-D327 VanDerWaalsContact OD1-OD2 3.08Å; N325-Y328 HydrophobicContact CB-CD2 3.7Å; N325-Y328 HydrophobicContact CB-CE2 3.49Å; N325-Y328 VanDerWaalsContact CB-CE2 3.49Å; N325-Y328 HydrophobicContact CB-CG 4.43Å; N325-Y328 WeakPolarHBondContact O-CD2 3.35Å; N325-Y328 PolarHBondContact O-N 3.21Å; N325-Y328 VanDerWaalsContact O-N 3.1Å
326	P	81.3	Confident	84.4	Confident	28 Å²	28	33.5 Å²	33.5	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-54.6	-26.4	173.2	22.9	-36.4	0	0	0	114.1	Y322 Y328 I329 L330 K398	Y322-P326 HydrophobicContact CD2-CB 3.7Å; Y322-P326 HydrophobicContact CE2-CB 3.65Å; P326-Y328 PolarHBondContact O-N 2.91Å; P326-I329 PolarHBondContact O-N 3.26Å; P326-L330 PolarHBondContact O-N 2.94Å; P326-K398 HydrophobicContact CB-CB 4.38Å; P326-K398 HydrophobicContact CG-CB 4.28Å; P326-K398 HydrophobicContact CG-CD 3.83Å
327	D	81.9	Confident	84	Confident	43 Å²	43	35.5 Å²	35.5	23%	0.23	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-22.9	179.7	-54.8	-34.3	0	0	0	113.1	N325 L330 N331 K398	N325-D327 PolarHBondContact ND2-OD2 3.37Å; N325-D327 VanDerWaalsContact ND2-OD2 3.13Å; N325-D327 PolarHBondContact O-N 2.95Å; N325-D327 VanDerWaalsContact OD1-CG 3.29Å; N325-D327 PolarHBondContact OD1-N 3.45Å; N325-D327 VanDerWaalsContact OD1-N 3.07Å; N325-D327 PolarHBondContact OD1-OD2 3.36Å; N325-D327 VanDerWaalsContact OD1-OD2 3.08Å; D327-L330 PolarHBondContact O-N 3.38Å; D327-N331 WeakPolarHBondContact O-CB 3.11Å; D327-N331 PolarHBondContact O-N 3.34Å; D327-N331 PolarHBondContact O-ND2 3.37Å; D327-K398 WeakPolarHBondContact OD1-CD 3.14Å; D327-K398 VanDerWaalsContact OD1-CE 3.22Å; D327-K398 WeakPolarHBondContact OD1-CE 3.34Å; D327-K398 IonicContact OD1-NZ 2.76Å; D327-K398 PolarHBondContact OD1-NZ 3.49Å; D327-K398 IonicContact OD2-NZ 3.89Å; D327-K398 PolarHBondContact OD2-NZ 3.14Å
328	Y	84.8	Confident	83.3	Confident	30 Å²	30	39.1 Å²	39.1	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-45.1	175.7	-62.8	-49.9	0	0	0	111.9	R299 I304 L321 I324 N325 P326 L330 N331 F332	R299-Y328 WeakPolarHBondContact CA-OH 3.41Å; R299-Y328 VanDerWaalsContact CG-OH 3.22Å; R299-Y328 WeakPolarHBondContact CG-OH 3.31Å; R299-Y328 PolarHBondContact O-OH 3.35Å; I304-Y328 HydrophobicContact CD1-CE1 4.16Å; I304-Y328 HydrophobicContact CD1-CE2 4.4Å; I304-Y328 HydrophobicContact CG2-CD1 3.63Å; I304-Y328 HydrophobicContact CG2-CE1 3.65Å; I304-Y328 HydrophobicContact CG2-CG 4.11Å; L321-Y328 HydrophobicContact CD2-CD2 4.37Å; I324-Y328 HydrophobicContact CB-CE2 4.36Å; I324-Y328 HydrophobicContact CG2-CE2 3.9Å; N325-Y328 HydrophobicContact CB-CD2 3.7Å; N325-Y328 HydrophobicContact CB-CE2 3.49Å; N325-Y328 VanDerWaalsContact CB-CE2 3.49Å; N325-Y328 HydrophobicContact CB-CG 4.43Å; N325-Y328 WeakPolarHBondContact O-CD2 3.35Å; N325-Y328 PolarHBondContact O-N 3.21Å; N325-Y328 VanDerWaalsContact O-N 3.1Å; P326-Y328 PolarHBondContact O-N 2.91Å; Y328-L330 VanDerWaalsContact C-N 3.32Å; Y328-L330 PolarHBondContact O-N 2.94Å; Y328-N331 PolarHBondContact O-N 3.17Å; Y328-F332 WeakPolarHBondContact O-CB 3.37Å; Y328-F332 WeakPolarHBondContact O-CD2 2.99Å; Y328-F332 WeakPolarHBondContact O-CG 3.41Å; Y328-F332 PolarHBondContact O-N 3.22Å
329	I	85.1	Confident	82.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-53.8	176	-58.5	-61	0	0	0	108.7	A318 L321 P326 N331 F332 T333 T402 V405 F406	A318-I329 HydrophobicContact CB-CD1 4.21Å; L321-I329 HydrophobicContact CB-CD1 3.67Å; L321-I329 HydrophobicContact CB-CG1 4.33Å; L321-I329 HydrophobicContact CD1-CD1 3.91Å; L321-I329 HydrophobicContact CG-CD1 4.48Å; P326-I329 PolarHBondContact O-N 3.26Å; I329-N331 PolarHBondContact O-N 3.13Å; I329-F332 PolarHBondContact O-N 3.09Å; I329-T333 HydrophobicContact CG2-CG2 4.29Å; I329-T333 WeakPolarHBondContact O-CG2 3.39Å; I329-T333 PolarHBondContact O-N 2.96Å; I329-T333 PolarHBondContact O-OG1 3.33Å; I329-T402 HydrophobicContact CB-CG2 4.41Å; I329-T402 HydrophobicContact CG2-CG2 4.07Å; I329-V405 HydrophobicContact CG2-CG1 4.29Å; I329-F406 HydrophobicContact CG2-CE1 3.94Å; I329-F406 HydrophobicContact CG2-CZ 4.09Å
330	L	82.4	Confident	82.7	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-45.7	-178.1	-60.4	179.2	0	0	0	112.7	P326 D327 Y328 T333 S334 K401 V405 F538	P326-L330 PolarHBondContact O-N 2.94Å; D327-L330 PolarHBondContact O-N 3.38Å; Y328-L330 VanDerWaalsContact C-N 3.32Å; Y328-L330 PolarHBondContact O-N 2.94Å; L330-T333 PolarHBondContact O-OG1 3.17Å; L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.3Å; L330-S334 PolarHBondContact O-N 3.47Å; L330-S334 PolarHBondContact O-OG 2.93Å; L330-K401 HydrophobicContact CD1-CB 4.17Å; L330-K401 HydrophobicContact CD1-CD 4.46Å; L330-K401 HydrophobicContact CD2-CB 3.87Å; L330-V405 HydrophobicContact CD2-CG2 4.02Å; L330-F538 HydrophobicContact CB-CE1 3.99Å; L330-F538 HydrophobicContact CB-CZ 4.33Å; L330-F538 HydrophobicContact CD1-CE1 4.24Å
331	N	83.7	Confident	82.5	Confident	75 Å²	75	46 Å²	46	40%	0.401	24%	0.235	S	C	.	.	H	α-helix	trans	-73.6	-24.6	-178.7	-72.2	-23.2	0	0	0	114	D327 Y328 I329 S334	D327-N331 WeakPolarHBondContact O-CB 3.11Å; D327-N331 PolarHBondContact O-N 3.34Å; D327-N331 PolarHBondContact O-ND2 3.37Å; Y328-N331 PolarHBondContact O-N 3.17Å; I329-N331 PolarHBondContact O-N 3.13Å; N331-S334 PolarHBondContact O-OG 3.19Å
332	F	85.1	Confident	82.4	Confident	12 Å²	12	50.8 Å²	50.8	5%	0.053	25%	0.253	C	S	.	.	H	α-helix	trans	-79	-52.2	171.8	-62.2	-27.1	0	0	0	110	I304 G308 I314 L321 Y328 I329 S334 K335 F336	I304-F332 HydrophobicContact CG2-CE2 4.46Å; I304-F332 HydrophobicContact CG2-CZ 3.69Å; I304-F332 WeakPolarHBondContact O-CZ 3.39Å; G308-F332 VanDerWaalsContact CA-CG 3.48Å; I314-F332 HydrophobicContact CD1-CB 3.89Å; I314-F332 HydrophobicContact CG1-CB 4.48Å; L321-F332 HydrophobicContact CD1-CD2 4.3Å; L321-F332 HydrophobicContact CD1-CE2 4.09Å; L321-F332 HydrophobicContact CD2-CE2 4.25Å; Y328-F332 WeakPolarHBondContact O-CB 3.37Å; Y328-F332 WeakPolarHBondContact O-CD2 2.99Å; Y328-F332 WeakPolarHBondContact O-CG 3.41Å; Y328-F332 PolarHBondContact O-N 3.22Å; I329-F332 PolarHBondContact O-N 3.09Å; F332-S334 VanDerWaalsContact C-N 3.27Å; F332-S334 PolarHBondContact O-N 3.25Å; F332-K335 WeakPolarHBondContact O-CB 3.25Å; F332-K335 PolarHBondContact O-N 3.48Å; F332-F336 WeakPolarHBondContact O-CD2 3.4Å; F332-F336 WeakPolarHBondContact O-CE2 3.35Å
333	T	80.8	Confident	82.5	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.086	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-29.2	-177.4	57.8	0	0	0	0	112.9	I329 L330 K335 F336 V405 L409	I329-T333 HydrophobicContact CG2-CG2 4.29Å; I329-T333 WeakPolarHBondContact O-CG2 3.39Å; I329-T333 PolarHBondContact O-N 2.96Å; I329-T333 PolarHBondContact O-OG1 3.33Å; L330-T333 PolarHBondContact O-OG1 3.17Å; T333-K335 PolarHBondContact O-N 2.83Å; T333-K335 VanDerWaalsContact O-N 3.12Å; T333-F336 PolarHBondContact O-N 3.14Å; T333-V405 HydrophobicContact CG2-CG1 3.47Å; T333-V405 VanDerWaalsContact CG2-CG1 3.47Å; T333-V405 WeakPolarHBondContact OG1-CG1 3.12Å; T333-L409 HydrophobicContact CG2-CD1 3.97Å
334	S	77.5	Confident	82.6	Confident	79 Å²	79	53.6 Å²	53.6	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.2	173.5	67.5	0	0	0	0	114.4	L330 N331 F332	L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.3Å; L330-S334 PolarHBondContact O-N 3.47Å; L330-S334 PolarHBondContact O-OG 2.93Å; N331-S334 PolarHBondContact O-OG 3.19Å; F332-S334 VanDerWaalsContact C-N 3.27Å; F332-S334 PolarHBondContact O-N 3.25Å
335	K	75.5	Confident	82.8	Confident	141 Å²	141	51.9 Å²	51.9	61%	0.613	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.3	172.9	-61.4	178.9	-177.5	-179.7	0	113.1	F332 T333 T337	F332-K335 WeakPolarHBondContact O-CB 3.25Å; F332-K335 PolarHBondContact O-N 3.48Å; T333-K335 PolarHBondContact O-N 2.83Å; T333-K335 VanDerWaalsContact O-N 3.12Å; K335-T337 PolarHBondContact O-N 3.37Å
336	F	79.1	Confident	82.9	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.118	29%	0.285	C	S	.	.			trans	-86	112.6	-179.4	-71.5	-105.2	0	0	0	108.8	L311 I314 F332 T333 I341	L311-F336 HydrophobicContact CB-CE1 4.49Å; I314-F336 HydrophobicContact CD1-CD2 4.3Å; I314-F336 HydrophobicContact CD1-CE2 3.31Å; I314-F336 HydrophobicContact CD1-CZ 3.48Å; I314-F336 VanDerWaalsContact CD1-CZ 3.48Å; F332-F336 WeakPolarHBondContact O-CD2 3.4Å; F332-F336 WeakPolarHBondContact O-CE2 3.35Å; T333-F336 PolarHBondContact O-N 3.14Å; F336-I341 HydrophobicContact CB-CD1 4.09Å; F336-I341 HydrophobicContact CB-CG1 3.89Å; F336-I341 HydrophobicContact CD1-CG1 4.14Å; F336-I341 HydrophobicContact CG-CG1 4.45Å
337	T	80.5	Confident	82.9	Confident	75 Å²	75	62.7 Å²	62.7	46%	0.46	31%	0.313	S	S	.	.			trans	-74.4	155.3	161.6	58.6	0	0	0	0	110.5	K335 D339 E340 I341	K335-T337 PolarHBondContact O-N 3.37Å; T337-D339 PolarHBondContact O-N 3.3Å; T337-E340 WeakPolarHBondContact CB-OE2 3.33Å; T337-E340 PolarHBondContact N-OE2 3.29Å; T337-E340 PolarHBondContact O-N 2.86Å; T337-E340 VanDerWaalsContact OG1-CD 3.27Å; T337-E340 VanDerWaalsContact OG1-CG 3.27Å; T337-E340 WeakPolarHBondContact OG1-CG 3.2Å; T337-E340 PolarHBondContact OG1-N 2.92Å; T337-E340 PolarHBondContact OG1-OE2 3.46Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.33Å
338	D	79.3	Confident	82.9	Confident	76 Å²	76	62.6 Å²	62.6	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-50.1	-45.4	174.4	-60.4	1.4	0	0	0	110.8	E340 I341 R342 H408	D338-E340 PolarHBondContact O-N 2.91Å; D338-I341 WeakPolarHBondContact O-CB 3.23Å; D338-I341 PolarHBondContact O-N 3.4Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.45Å; D338-H408 IonicContact OD1-CE1 2.74Å; D338-H408 IonicContact OD1-NE2 3.43Å; D338-H408 PolarHBondContact OD1-NE2 2.9Å
339	D	82.6	Confident	82.6	Confident	110 Å²	110	63.3 Å²	63.3	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-61.4	-40.8	178.2	-74.3	-39.1	0	0	0	113.3	T337 R342 Q343	T337-D339 PolarHBondContact O-N 3.3Å; D339-R342 PolarHBondContact O-N 3.41Å; D339-Q343 WeakPolarHBondContact O-CB 3.11Å; D339-Q343 VanDerWaalsContact O-CG 3.3Å; D339-Q343 WeakPolarHBondContact O-CG 3.02Å; D339-Q343 PolarHBondContact O-N 2.83Å
340	E	84.7	Confident	82.2	Confident	82 Å²	82	67.5 Å²	67.5	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-38	174.5	-74.4	163.2	133.8	0	0	111.7	T337 D338 Q343 Q344	T337-E340 WeakPolarHBondContact CB-OE2 3.33Å; T337-E340 PolarHBondContact N-OE2 3.29Å; T337-E340 PolarHBondContact O-N 2.86Å; T337-E340 VanDerWaalsContact OG1-CD 3.27Å; T337-E340 VanDerWaalsContact OG1-CG 3.27Å; T337-E340 WeakPolarHBondContact OG1-CG 3.2Å; T337-E340 PolarHBondContact OG1-N 2.92Å; T337-E340 PolarHBondContact OG1-OE2 3.46Å; D338-E340 PolarHBondContact O-N 2.91Å; E340-Q343 PolarHBondContact O-N 3.43Å; E340-Q344 WeakPolarHBondContact O-CG 3.47Å; E340-Q344 PolarHBondContact O-N 3.45Å
341	I	84.9	Confident	81.8	Confident	1 Å²	1	71 Å²	71	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-47.3	172.1	-62.3	163.2	0	0	0	109.2	L311 F336 T337 D338 Q343 Q344 L345 L409 E412	L311-I341 HydrophobicContact CD2-CG2 4.4Å; F336-I341 HydrophobicContact CB-CD1 4.09Å; F336-I341 HydrophobicContact CB-CG1 3.89Å; F336-I341 HydrophobicContact CD1-CG1 4.14Å; F336-I341 HydrophobicContact CG-CG1 4.45Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.33Å; D338-I341 WeakPolarHBondContact O-CB 3.23Å; D338-I341 PolarHBondContact O-N 3.4Å; I341-Q343 PolarHBondContact O-N 2.75Å; I341-Q344 PolarHBondContact O-N 3.09Å; I341-L345 HydrophobicContact CG2-CD1 3.72Å; I341-L345 HydrophobicContact CG2-CG 4.25Å; I341-L345 WeakPolarHBondContact O-CB 3.37Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.03Å; I341-L345 PolarHBondContact O-N 3.27Å; I341-L409 HydrophobicContact CD1-CD2 3.7Å; I341-L409 HydrophobicContact CG1-CD2 4.26Å; I341-E412 HydrophobicContact CB-CG 4.45Å; I341-E412 HydrophobicContact CG2-CB 4.29Å; I341-E412 HydrophobicContact CG2-CG 3.84Å
342	R	86.5	Confident	81.6	Confident	102 Å²	102	71.7 Å²	71.7	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-58.9	-44.8	176.3	-51.1	-146	158.5	-178.8	-8.8	112.1	D338 D339 Q344 L345 A346 E412 Q416	D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.45Å; D339-R342 PolarHBondContact O-N 3.41Å; R342-Q344 PolarHBondContact O-N 3.24Å; R342-L345 PolarHBondContact O-N 2.81Å; R342-A346 VanDerWaalsContact O-CB 3.32Å; R342-A346 WeakPolarHBondContact O-CB 3.3Å; R342-A346 PolarHBondContact O-N 3.4Å; R342-E412 IonicContact CZ-OE1 3.57Å; R342-E412 IonicContact NE-OE1 3.6Å; R342-E412 PolarHBondContact NE-OE1 2.68Å; R342-E412 IonicContact NH2-OE1 2.69Å; R342-E412 PolarHBondContact NH2-OE1 3.11Å; R342-E412 IonicContact NH2-OE2 3.65Å; R342-Q416 VanDerWaalsContact CG-NE2 3.26Å
343	Q	87.3	Confident	81.6	Confident	115 Å²	115	73 Å²	73	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-36.5	-179.9	-73.8	179.1	32.7	0	0	113	D339 E340 I341	D339-Q343 WeakPolarHBondContact O-CB 3.11Å; D339-Q343 VanDerWaalsContact O-CG 3.3Å; D339-Q343 WeakPolarHBondContact O-CG 3.02Å; D339-Q343 PolarHBondContact O-N 2.83Å; E340-Q343 PolarHBondContact O-N 3.43Å; I341-Q343 PolarHBondContact O-N 2.75Å
344	Q	86.9	Confident	81.8	Confident	53 Å²	53	76.9 Å²	76.9	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-71	-43.6	173.8	-69.2	-169.6	21.2	0	0	111.3	E340 I341 R342 A346 R347 N348	E340-Q344 WeakPolarHBondContact O-CG 3.47Å; E340-Q344 PolarHBondContact O-N 3.45Å; I341-Q344 PolarHBondContact O-N 3.09Å; R342-Q344 PolarHBondContact O-N 3.24Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; Q344-A346 PolarHBondContact O-N 3.34Å; Q344-R347 PolarHBondContact O-N 3.39Å; Q344-N348 PolarHBondContact O-OD1 2.8Å
345	L	86.7	Confident	82.1	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-37.1	177.4	-68	173.4	0	0	0	112.7	L311 I341 R342 R347 N348 R353 I413	L311-L345 HydrophobicContact CD2-CD2 3.9Å; L311-L345 HydrophobicContact CD2-CG 4.33Å; I341-L345 HydrophobicContact CG2-CD1 3.72Å; I341-L345 HydrophobicContact CG2-CG 4.25Å; I341-L345 WeakPolarHBondContact O-CB 3.37Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.03Å; I341-L345 PolarHBondContact O-N 3.27Å; R342-L345 PolarHBondContact O-N 2.81Å; L345-R347 PolarHBondContact O-N 3.4Å; L345-N348 PolarHBondContact O-N 2.86Å; L345-R353 HydrophobicContact CD2-CG 3.99Å; L345-R353 PolarHBondContact O-NE 3.06Å; L345-R353 PolarHBondContact O-NH2 3.3Å; L345-I413 HydrophobicContact CD1-CB 4.4Å; L345-I413 HydrophobicContact CD1-CG1 3.87Å; L345-I413 HydrophobicContact CD2-CG1 3.78Å; L345-I413 HydrophobicContact CG-CG1 4.46Å
346	A	84.5	Confident	82.7	Confident	70 Å²	70	68.9 Å²	68.9	58%	0.579	35%	0.352	S	S	*	.	H	α-helix	trans	-57.6	-29.9	177.8	0	0	0	0	0	113.5	R342 Q344	R342-A346 VanDerWaalsContact O-CB 3.32Å; R342-A346 WeakPolarHBondContact O-CB 3.3Å; R342-A346 PolarHBondContact O-N 3.4Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; Q344-A346 PolarHBondContact O-N 3.34Å
347	R	82	Confident	83.2	Confident	206 Å²	206	67.6 Å²	67.6	78%	0.777	35%	0.346	S	S	*	.	H	α-helix	trans	-79.4	-20.4	177.3	-60.9	177.6	-168.7	-172.5	3.2	113.3	Q344 L345	Q344-R347 PolarHBondContact O-N 3.39Å; L345-R347 PolarHBondContact O-N 3.4Å
348	N	80.3	Confident	83.5	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.214	34%	0.339	C	S	.	.	S	Bend	trans	-93.7	141.9	-174.9	-65.1	2.5	0	0	0	111.3	Q344 L345 E352 R353	Q344-N348 PolarHBondContact O-OD1 2.8Å; L345-N348 PolarHBondContact O-N 2.86Å; N348-E352 HydrophobicContact CB-CB 4.1Å; N348-R353 HydrophobicContact CB-CG 4.08Å; N348-R353 PolarHBondContact O-NE 3.38Å; N348-R353 PolarHBondContact O-NH2 3.26Å; N348-R353 VanDerWaalsContact O-NH2 3.09Å
349	S	78.9	Confident	83.9	Confident	46 Å²	46	63.9 Å²	63.9	32%	0.322	33%	0.326	S	S	.	.			trans	-64	159	170.7	68.2	0	0	0	0	112.3	S351 E352 R353	S349-S351 PolarHBondContact O-N 3.26Å; S349-S351 PolarHBondContact OG-OG 2.92Å; S349-E352 WeakPolarHBondContact CA-OE2 3.32Å; S349-E352 WeakPolarHBondContact CB-OE2 3.33Å; S349-E352 PolarHBondContact N-OE2 3.42Å; S349-E352 PolarHBondContact O-N 3Å; S349-E352 VanDerWaalsContact O-N 3.09Å; S349-E352 WeakPolarHBondContact OG-CG 3.45Å; S349-E352 PolarHBondContact OG-N 2.86Å; S349-E352 PolarHBondContact OG-OE2 3.45Å; S349-R353 WeakPolarHBondContact O-CG 3.47Å; S349-R353 PolarHBondContact O-N 3.41Å
350	V	78.2	Confident	84.3	Confident	87 Å²	87	58.6 Å²	58.6	53%	0.527	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-35.2	176.5	176.3	0	0	0	0	112	R354 T417	V350-R354 WeakPolarHBondContact O-CB 3.38Å; V350-R354 PolarHBondContact O-N 3.22Å; V350-T417 HydrophobicContact CG1-CG2 4.04Å
351	S	72.8	Confident	84.5	Confident	79 Å²	79	54.9 Å²	54.9	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-46.4	174	27.4	0	0	0	0	112.8	S349 R354 S355	S349-S351 PolarHBondContact O-N 3.26Å; S349-S351 PolarHBondContact OG-OG 2.92Å; S351-R354 PolarHBondContact O-N 2.92Å; S351-S355 WeakPolarHBondContact O-CB 3.09Å; S351-S355 PolarHBondContact O-N 3.45Å
352	E	79.6	Confident	84.6	Confident	90 Å²	90	57.5 Å²	57.5	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-41.9	179.1	-71.7	155.9	145.4	0	0	111.2	N348 S349 R354 S355 V356	N348-E352 HydrophobicContact CB-CB 4.1Å; S349-E352 WeakPolarHBondContact CA-OE2 3.32Å; S349-E352 WeakPolarHBondContact CB-OE2 3.33Å; S349-E352 PolarHBondContact N-OE2 3.42Å; S349-E352 PolarHBondContact O-N 3Å; S349-E352 VanDerWaalsContact O-N 3.09Å; S349-E352 WeakPolarHBondContact OG-CG 3.45Å; S349-E352 PolarHBondContact OG-N 2.86Å; S349-E352 PolarHBondContact OG-OE2 3.45Å; E352-R354 VanDerWaalsContact C-N 3.34Å; E352-R354 PolarHBondContact O-N 3.38Å; E352-S355 PolarHBondContact O-N 2.95Å; E352-S355 VanDerWaalsContact O-N 3.17Å; E352-V356 WeakPolarHBondContact O-CB 3.45Å; E352-V356 WeakPolarHBondContact O-CG2 3.18Å; E352-V356 PolarHBondContact O-N 2.93Å
353	R	85.7	Confident	84.7	Confident	39 Å²	39	52.8 Å²	52.8	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-45	173.6	-65	-179.6	-158	177.4	2.6	111.8	L345 N348 S349 S355 A357 I413 Q416 T417	L345-R353 HydrophobicContact CD2-CG 3.99Å; L345-R353 PolarHBondContact O-NE 3.06Å; L345-R353 PolarHBondContact O-NH2 3.3Å; N348-R353 HydrophobicContact CB-CG 4.08Å; N348-R353 PolarHBondContact O-NE 3.38Å; N348-R353 PolarHBondContact O-NH2 3.26Å; N348-R353 VanDerWaalsContact O-NH2 3.09Å; S349-R353 WeakPolarHBondContact O-CG 3.47Å; S349-R353 PolarHBondContact O-N 3.41Å; R353-S355 VanDerWaalsContact C-N 3.34Å; R353-A357 WeakPolarHBondContact O-CB 3.21Å; R353-A357 PolarHBondContact O-N 3.22Å; R353-I413 HydrophobicContact CB-CG2 4.11Å; R353-Q416 PolarHBondContact NH1-O 3.2Å; R353-T417 HydrophobicContact CB-CG2 4.09Å; R353-T417 VanDerWaalsContact CD-OG1 3.27Å; R353-T417 WeakPolarHBondContact CD-OG1 3.29Å
354	R	84.6	Confident	84.7	Confident	96 Å²	96	47.3 Å²	47.3	36%	0.362	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-40.6	175.8	-173	-173.6	-179	94.2	5.3	111.8	V350 S351 E352 A357 S358 S419 V420	V350-R354 WeakPolarHBondContact O-CB 3.38Å; V350-R354 PolarHBondContact O-N 3.22Å; S351-R354 PolarHBondContact O-N 2.92Å; E352-R354 VanDerWaalsContact C-N 3.34Å; E352-R354 PolarHBondContact O-N 3.38Å; R354-A357 PolarHBondContact O-N 2.9Å; R354-S358 WeakPolarHBondContact O-CB 3Å; R354-S358 PolarHBondContact O-N 2.85Å; R354-S419 PolarHBondContact NH1-O 3.14Å; R354-V420 HydrophobicContact CB-CG2 4.26Å; R354-V420 HydrophobicContact CG-CG2 4.43Å
355	S	82.8	Confident	84.6	Confident	50 Å²	50	46 Å²	46	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-67.6	-45.9	179.6	-168.1	0	0	0	0	112.1	Y316 S351 E352 R353 A357 S358 Q359	Y316-S355 PolarHBondContact OH-OG 3.4Å; S351-S355 WeakPolarHBondContact O-CB 3.09Å; S351-S355 PolarHBondContact O-N 3.45Å; E352-S355 PolarHBondContact O-N 2.95Å; E352-S355 VanDerWaalsContact O-N 3.17Å; R353-S355 VanDerWaalsContact C-N 3.34Å; S355-A357 PolarHBondContact O-N 3.4Å; S355-S358 WeakPolarHBondContact O-CB 3.44Å; S355-S358 PolarHBondContact O-N 3.24Å; S355-Q359 PolarHBondContact O-N 3.47Å
356	V	88.2	Confident	84.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-45.3	172.7	168.2	0	0	0	0	111.3	L311 Y316 E352 S358 Q359 L360 I413	L311-V356 HydrophobicContact CD2-CG1 4.3Å; L311-V356 HydrophobicContact CG-CG1 4.07Å; Y316-V356 HydrophobicContact CE2-CG2 4.37Å; E352-V356 WeakPolarHBondContact O-CB 3.45Å; E352-V356 WeakPolarHBondContact O-CG2 3.18Å; E352-V356 PolarHBondContact O-N 2.93Å; V356-S358 PolarHBondContact O-N 3.35Å; V356-Q359 PolarHBondContact O-N 3.02Å; V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 HydrophobicContact CG1-CG 4.5Å; V356-L360 VanDerWaalsContact O-CG 3.32Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.88Å; V356-I413 HydrophobicContact CG1-CD1 3.94Å
357	A	89.9	Confident	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-42.3	175.3	0	0	0	0	0	112.3	R353 R354 S355 L360 L361 I413 V420	R353-A357 WeakPolarHBondContact O-CB 3.21Å; R353-A357 PolarHBondContact O-N 3.22Å; R354-A357 PolarHBondContact O-N 2.9Å; S355-A357 PolarHBondContact O-N 3.4Å; A357-L360 PolarHBondContact O-N 3.4Å; A357-L361 VanDerWaalsContact O-CG 3.26Å; A357-L361 WeakPolarHBondContact O-CG 3.14Å; A357-L361 PolarHBondContact O-N 2.9Å; A357-I413 HydrophobicContact CB-CD1 4.26Å; A357-I413 HydrophobicContact CB-CG2 4.11Å; A357-V420 HydrophobicContact CB-CB 4.48Å; A357-V420 HydrophobicContact CB-CG1 3.67Å; A357-V420 HydrophobicContact CB-CG2 3.88Å
358	S	87.1	Confident	84.5	Confident	44 Å²	44	35.6 Å²	35.6	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-45.4	175.6	-154.8	0	0	0	0	111.7	R354 S355 V356 L361 D362	R354-S358 WeakPolarHBondContact O-CB 3Å; R354-S358 PolarHBondContact O-N 2.85Å; S355-S358 WeakPolarHBondContact O-CB 3.44Å; S355-S358 PolarHBondContact O-N 3.24Å; V356-S358 PolarHBondContact O-N 3.35Å; S358-L361 WeakPolarHBondContact O-CB 3.43Å; S358-L361 PolarHBondContact O-N 3.35Å; S358-D362 WeakPolarHBondContact O-CB 3.31Å; S358-D362 PolarHBondContact O-N 3.15Å
359	Q	88.3	Confident	84.4	Confident	29 Å²	29	38 Å²	38	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-35.8	178.8	-178.5	66.3	15.2	0	0	112.4	D281 S315 Y316 S355 V356 D362 S363	D281-Q359 PolarHBondContact OD2-NE2 3.01Å; S315-Q359 WeakPolarHBondContact O-CG 3.26Å; S315-Q359 PolarHBondContact O-NE2 3.27Å; Y316-Q359 HydrophobicContact CD1-CG 4.13Å; Y316-Q359 HydrophobicContact CE1-CG 4.42Å; Y316-Q359 HydrophobicContact CG-CG 4.28Å; S355-Q359 PolarHBondContact O-N 3.47Å; V356-Q359 PolarHBondContact O-N 3.02Å; Q359-D362 WeakPolarHBondContact O-CB 3.43Å; Q359-D362 PolarHBondContact O-N 3.03Å; Q359-S363 WeakPolarHBondContact O-CB 3.49Å; Q359-S363 PolarHBondContact O-N 3.32Å; Q359-S363 PolarHBondContact O-OG 3.1Å
360	L	91	Very high	84.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-41.3	173.5	-71.4	170.3	0	0	0	112	V356 A357 D362 S363 M364 F406 L409 I410 I413	V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 HydrophobicContact CG1-CG 4.5Å; V356-L360 VanDerWaalsContact O-CG 3.32Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.88Å; A357-L360 PolarHBondContact O-N 3.4Å; L360-D362 VanDerWaalsContact C-N 3.31Å; L360-D362 PolarHBondContact O-N 3.32Å; L360-S363 PolarHBondContact O-N 3.36Å; L360-M364 WeakPolarHBondContact O-CB 3.46Å; L360-M364 PolarHBondContact O-N 3.39Å; L360-F406 HydrophobicContact CD2-CD1 3.85Å; L360-F406 HydrophobicContact CD2-CE1 4.12Å; L360-L409 HydrophobicContact CD1-CB 3.92Å; L360-L409 HydrophobicContact CD1-CD1 4.44Å; L360-L409 HydrophobicContact CD2-CD1 4.24Å; L360-I410 HydrophobicContact CB-CD1 3.96Å; L360-I410 HydrophobicContact CB-CG1 3.77Å; L360-I410 HydrophobicContact CD1-CG1 4.31Å; L360-I413 HydrophobicContact CD1-CD1 3.73Å
361	L	88.5	Confident	83.2	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-45.7	173.5	-74.7	165.7	0	0	0	111.3	A357 S358 S363 M364 R365 I410 L423 L424 F436	A357-L361 VanDerWaalsContact O-CG 3.26Å; A357-L361 WeakPolarHBondContact O-CG 3.14Å; A357-L361 PolarHBondContact O-N 2.9Å; S358-L361 WeakPolarHBondContact O-CB 3.43Å; S358-L361 PolarHBondContact O-N 3.35Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.22Å; L361-M364 WeakPolarHBondContact O-CB 3.48Å; L361-M364 PolarHBondContact O-N 3.08Å; L361-R365 PolarHBondContact O-N 3.39Å; L361-I410 HydrophobicContact CD2-CD1 3.78Å; L361-I410 HydrophobicContact CD2-CG2 4.49Å; L361-I410 HydrophobicContact CG-CD1 3.89Å; L361-L423 HydrophobicContact CD1-CD2 3.68Å; L361-L423 HydrophobicContact CD1-CG 4.08Å; L361-L424 HydrophobicContact CD1-CD2 4.17Å; L361-L424 HydrophobicContact CD2-CD2 3.77Å; L361-F436 HydrophobicContact CD2-CD2 4.2Å; L361-F436 HydrophobicContact CD2-CE1 4.07Å; L361-F436 HydrophobicContact CD2-CE2 3.22Å; L361-F436 HydrophobicContact CD2-CZ 3.13Å
362	D	87	Confident	82.2	Confident	57 Å²	57	34.9 Å²	34.9	31%	0.305	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-35.3	177	-120.2	28.2	0	0	0	113.4	K319 S358 Q359 L360 R365 F366	K319-D362 WeakPolarHBondContact CE-O 3Å; K319-D362 IonicContact NZ-OD2 2.79Å; K319-D362 PolarHBondContact NZ-OD2 3.32Å; S358-D362 WeakPolarHBondContact O-CB 3.31Å; S358-D362 PolarHBondContact O-N 3.15Å; Q359-D362 WeakPolarHBondContact O-CB 3.43Å; Q359-D362 PolarHBondContact O-N 3.03Å; L360-D362 VanDerWaalsContact C-N 3.31Å; L360-D362 PolarHBondContact O-N 3.32Å; D362-R365 IonicContact OD1-CZ 3.45Å; D362-R365 IonicContact OD1-NH1 2.69Å; D362-R365 PolarHBondContact OD1-NH1 2.85Å; D362-F366 WeakPolarHBondContact O-CB 3.35Å; D362-F366 PolarHBondContact O-N 3.33Å
363	S	89.2	Confident	80.4	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-74.9	-34.3	176.6	-57	0	0	0	0	111.9	A318 Q359 L360 L361 F366 A367	A318-S363 WeakPolarHBondContact CB-OG 3.25Å; Q359-S363 WeakPolarHBondContact O-CB 3.49Å; Q359-S363 PolarHBondContact O-N 3.32Å; Q359-S363 PolarHBondContact O-OG 3.1Å; L360-S363 PolarHBondContact O-N 3.36Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.22Å; S363-F366 PolarHBondContact O-N 3.07Å; S363-A367 WeakPolarHBondContact O-CB 3.42Å; S363-A367 PolarHBondContact O-N 2.79Å
364	M	87.8	Confident	77.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43	172.4	-169.3	-175.4	-178	0	0	111.5	L360 L361 L368 V403 F406 L407 I410 L434 F436 A473 L504	L360-M364 WeakPolarHBondContact O-CB 3.46Å; L360-M364 PolarHBondContact O-N 3.39Å; L361-M364 WeakPolarHBondContact O-CB 3.48Å; L361-M364 PolarHBondContact O-N 3.08Å; M364-L368 WeakPolarHBondContact O-CG 3.3Å; M364-L368 PolarHBondContact O-N 3.25Å; M364-V403 HydrophobicContact CE-CG1 3.39Å; M364-V403 HydrophobicContact CG-CB 4.47Å; M364-V403 HydrophobicContact CG-CG1 3.8Å; M364-V403 HydrophobicContact CG-CG2 4.46Å; M364-V403 HydrophobicContact SD-CG1 4.42Å; M364-F406 HydrophobicContact CB-CB 4.02Å; M364-F406 HydrophobicContact CB-CD2 3.87Å; M364-F406 HydrophobicContact CB-CG 4.31Å; M364-F406 HydrophobicContact CG-CB 4.11Å; M364-F406 HydrophobicContact CG-CD2 4.3Å; M364-F406 HydrophobicContact SD-CB 4.4Å; M364-L407 HydrophobicContact CE-CB 4.08Å; M364-I410 HydrophobicContact SD-CD1 4.23Å; M364-L434 HydrophobicContact CE-CD1 4.09Å; M364-L434 HydrophobicContact CE-CD2 4.11Å; M364-L434 HydrophobicContact SD-CD2 4.29Å; M364-F436 HydrophobicContact CE-CE1 4.19Å; M364-F436 HydrophobicContact CE-CZ 4.29Å; M364-F436 HydrophobicContact SD-CE1 4.09Å; M364-F436 HydrophobicContact SD-CZ 3.74Å; M364-A473 HydrophobicContact CE-CB 4.19Å; M364-L504 HydrophobicContact CE-CD1 4.42Å
365	R	84.4	Confident	75.4	Confident	26 Å²	26	40.4 Å²	40.4	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-52	170.6	-68.5	179	-164.2	107.4	14.8	111.9	L361 D362 A367 L368 D369 E429	L361-R365 PolarHBondContact O-N 3.39Å; D362-R365 IonicContact OD1-CZ 3.45Å; D362-R365 IonicContact OD1-NH1 2.69Å; D362-R365 PolarHBondContact OD1-NH1 2.85Å; R365-A367 VanDerWaalsContact C-N 3.25Å; R365-A367 PolarHBondContact O-N 2.97Å; R365-L368 CarbonylContact O-C 3.49Å; R365-L368 WeakPolarHBondContact O-CA 3.48Å; R365-L368 WeakPolarHBondContact O-CB 3.19Å; R365-L368 PolarHBondContact O-N 3.36Å; R365-D369 PolarHBondContact O-N 3.42Å; R365-E429 IonicContact CZ-OE2 2.72Å; R365-E429 PolarHBondContact NE-O 3.2Å; R365-E429 IonicContact NH1-OE2 3.99Å; R365-E429 PolarHBondContact NH1-OE2 2.62Å; R365-E429 VanDerWaalsContact NH2-CB 3.32Å; R365-E429 PolarHBondContact NH2-O 3.39Å; R365-E429 IonicContact NH2-OE2 3.15Å; R365-E429 PolarHBondContact NH2-OE2 2.91Å
366	F	85.3	Confident	72.8	Confident	56 Å²	56	44.3 Å²	44.3	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-54.8	-44.3	180	178.5	-94.9	0	0	0	111.5	K319 Y322 R323 D362 S363 L368 D369 M370	K319-F366 HydrophobicContact CB-CD1 3.85Å; K319-F366 HydrophobicContact CB-CE1 4.3Å; K319-F366 HydrophobicContact CB-CG 4.16Å; K319-F366 HydrophobicContact CD-CB 4.2Å; K319-F366 HydrophobicContact CD-CG 4.3Å; K319-F366 HydrophobicContact CG-CB 3.95Å; K319-F366 HydrophobicContact CG-CD1 4.04Å; K319-F366 HydrophobicContact CG-CG 3.96Å; Y322-F366 HydrophobicContact CD1-CD1 4.35Å; Y322-F366 HydrophobicContact CD1-CE1 4.2Å; R323-F366 HydrophobicContact CG-CE1 3.62Å; R323-F366 HydrophobicContact CG-CZ 3.64Å; D362-F366 WeakPolarHBondContact O-CB 3.35Å; D362-F366 PolarHBondContact O-N 3.33Å; S363-F366 PolarHBondContact O-N 3.07Å; F366-L368 VanDerWaalsContact C-N 3.26Å; F366-L368 PolarHBondContact O-N 3.36Å; F366-D369 PolarHBondContact O-N 2.94Å; F366-M370 HydrophobicContact CE1-SD 3.68Å; F366-M370 HydrophobicContact CZ-SD 3.74Å; F366-M370 WeakPolarHBondContact O-CB 3.37Å; F366-M370 PolarHBondContact O-N 3.3Å
367	A	84.3	Confident	69.8	Low	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-31.8	175.8	0	0	0	0	0	113.4	Y322 S363 R365 K399 V403 F406	Y322-A367 HydrophobicContact CD1-CB 4.01Å; Y322-A367 HydrophobicContact CD2-CB 4.35Å; Y322-A367 VanDerWaalsContact CE1-CA 3.45Å; Y322-A367 HydrophobicContact CE1-CB 3.67Å; Y322-A367 HydrophobicContact CE2-CB 4.03Å; Y322-A367 HydrophobicContact CG-CB 4.34Å; Y322-A367 PolarHBondContact OH-O 2.78Å; S363-A367 WeakPolarHBondContact O-CB 3.42Å; S363-A367 PolarHBondContact O-N 2.79Å; R365-A367 VanDerWaalsContact C-N 3.25Å; R365-A367 PolarHBondContact O-N 2.97Å; A367-K399 WeakPolarHBondContact O-CE 3.46Å; A367-V403 HydrophobicContact CB-CG2 4.32Å; A367-F406 HydrophobicContact CB-CE2 4.31Å
368	L	80.5	Confident	66.7	Low	1 Å²	1	51 Å²	51	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-81.8	-33	179.9	-78.4	171.4	0	0	0	115	M364 R365 F366 K399 V403 L434 I475 N479 F480	M364-L368 WeakPolarHBondContact O-CG 3.3Å; M364-L368 PolarHBondContact O-N 3.25Å; R365-L368 CarbonylContact O-C 3.49Å; R365-L368 WeakPolarHBondContact O-CA 3.48Å; R365-L368 WeakPolarHBondContact O-CB 3.19Å; R365-L368 PolarHBondContact O-N 3.36Å; F366-L368 VanDerWaalsContact C-N 3.26Å; F366-L368 PolarHBondContact O-N 3.36Å; L368-K399 VanDerWaalsContact CA-CE 3.43Å; L368-K399 WeakPolarHBondContact O-CE 3.4Å; L368-K399 PolarHBondContact O-NZ 3.4Å; L368-V403 HydrophobicContact CD1-CG1 4.05Å; L368-V403 HydrophobicContact CD1-CG2 4.25Å; L368-V403 HydrophobicContact CD2-CG1 4.38Å; L368-V403 HydrophobicContact CD2-CG2 3.81Å; L368-V403 HydrophobicContact CG-CG1 4.32Å; L368-V403 HydrophobicContact CG-CG2 3.68Å; L368-L434 HydrophobicContact CD1-CD1 3.1Å; L368-I475 HydrophobicContact CD1-CD1 4.5Å; L368-I475 HydrophobicContact CD1-CG1 4.43Å; L368-I475 HydrophobicContact CD1-CG2 4.08Å; L368-I475 HydrophobicContact CD2-CD1 4.45Å; L368-I475 HydrophobicContact CD2-CG2 3.74Å; L368-N479 HydrophobicContact CD2-CB 4.21Å; L368-N479 PolarHBondContact O-ND2 3.44Å; L368-F480 HydrophobicContact CD2-CE1 4.2Å; L368-F480 HydrophobicContact CD2-CE2 4.45Å; L368-F480 HydrophobicContact CD2-CZ 3.84Å
369	D	78.4	Confident	63.9	Low	91 Å²	91	59.6 Å²	59.6	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-88.3	-18.6	-180	-62.2	-32.7	0	0	0	112	R365 F366 S371 S433	R365-D369 PolarHBondContact O-N 3.42Å; F366-D369 PolarHBondContact O-N 2.94Å; D369-S371 PolarHBondContact O-N 3.29Å; D369-S433 WeakPolarHBondContact OD1-CB 3.26Å
370	M	72.9	Confident	60.8	Low	43 Å²	43	66.4 Å²	66.4	21%	0.212	37%	0.371	C	S	.	.			trans	-61.3	121.7	174	-161.7	165	96.7	0	0	111.2	Y322 R323 F366 K399	Y322-M370 HydrophobicContact CD1-CE 3.65Å; Y322-M370 HydrophobicContact CD1-SD 4Å; Y322-M370 HydrophobicContact CE1-CB 4.35Å; Y322-M370 HydrophobicContact CE1-CE 3.39Å; Y322-M370 HydrophobicContact CE1-SD 3.98Å; R323-M370 HydrophobicContact CG-SD 4.08Å; F366-M370 HydrophobicContact CE1-SD 3.68Å; F366-M370 HydrophobicContact CZ-SD 3.74Å; F366-M370 WeakPolarHBondContact O-CB 3.37Å; F366-M370 PolarHBondContact O-N 3.3Å; M370-K399 PolarHBondContact O-NZ 2.98Å
371	S	58.6	Low	57.7	Low	46 Å²	46	76.6 Å²	76.6	32%	0.322	41%	0.41	S	S	.	.			trans	-88.9	147	176.5	61.5	0	0	0	0	111	D369 T373 M374	D369-S371 PolarHBondContact O-N 3.29Å; S371-T373 PolarHBondContact O-N 2.86Å; S371-T373 VanDerWaalsContact O-N 3.14Å; S371-T373 PolarHBondContact OG-OG1 3.25Å; S371-M374 PolarHBondContact O-N 2.98Å
372	P	53.1	Low	54.7	Low	58 Å²	58	81.7 Å²	81.7	38%	0.377	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.5	-179.3	-24.2	34.2	0	0	0	113.9
373	T	40.1	Very low	52.1	Low	105 Å²	105	85.5 Å²	85.5	64%	0.644	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-77	-21.6	-177.7	45.7	0	0	0	0	113.8	S371 V375 T376	S371-T373 PolarHBondContact O-N 2.86Å; S371-T373 VanDerWaalsContact O-N 3.14Å; S371-T373 PolarHBondContact OG-OG1 3.25Å; T373-V375 PolarHBondContact O-N 3.48Å; T373-T376 PolarHBondContact O-N 3.13Å; T373-T376 PolarHBondContact O-OG1 2.96Å; T373-T376 VanDerWaalsContact O-OG1 3.05Å
374	M	30.6	Very low	49.1	Very low	131 Å²	131	92.3 Å²	92.3	65%	0.645	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-75	-6.7	-170.4	-130.8	173.7	-179.9	0	0	114.7	S371 T376	S371-M374 PolarHBondContact O-N 2.98Å; M374-T376 PolarHBondContact O-N 3.42Å
375	V	34.8	Very low	46.1	Very low	105 Å²	105	101.5 Å²	101.5	64%	0.636	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-74.1	-11	176.5	-170.4	0	0	0	0	112.2	T373	T373-V375 PolarHBondContact O-N 3.48Å
376	T	28.8	Very low	43.3	Very low	131 Å²	131	106 Å²	106	80%	0.804	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-100.3	-6.4	-179.6	59.4	0	0	0	0	115.2	T373 M374	T373-T376 PolarHBondContact O-N 3.13Å; T373-T376 PolarHBondContact O-OG1 2.96Å; T373-T376 VanDerWaalsContact O-OG1 3.05Å; M374-T376 PolarHBondContact O-N 3.42Å
377	S	26.1	Very low	40.6	Very low	88 Å²	88	108 Å²	108	62%	0.615	61%	0.606	S	S	*	*	S	Bend	trans	-127.9	66.4	-173.3	67.3	0	0	0	0	112.9
378	G	24.9	Very low	37.8	Very low	55 Å²	55	113.6 Å²	113.6	57%	0.567	64%	0.635	S	S	*	*	S	Bend	trans	-172.4	99.5	175.6	0	0	0	0	0	112.9
379	Y	27.3	Very low	35.3	Very low	223 Å²	223	119.2 Å²	119.2	88%	0.875	68%	0.675	S	S	*	*	S	Bend	trans	70.4	141	176.9	-69.7	-93.9	0	0	0	117.6	W381	Y379-W381 PolarHBondContact O-N 3.46Å
380	N	22.5	Very low	32.9	Very low	172 Å²	172	122.5 Å²	122.5	92%	0.92	69%	0.687	S	S	*	*			trans	-63.7	94.8	-173.7	-66.2	-21.8	0	0	0	112.3
381	W	27.5	Very low	30.7	Very low	214 Å²	214	126.1 Å²	126.1	81%	0.811	70%	0.702	S	S	*	*			trans	-75.6	128.8	162.3	-78.3	30	0	0	0	109.2	Y379	Y379-W381 PolarHBondContact O-N 3.46Å
382	S	25.3	Very low	29.4	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	72%	0.72	S	S	*	*			trans	-59	139.1	177.9	46.7	0	0	0	0	111.2	N384	S382-N384 PolarHBondContact O-N 2.81Å
383	T	30.8	Very low	28.3	Very low	137 Å²	137	130.7 Å²	130.7	84%	0.84	72%	0.724	S	S	*	*	S	Bend	trans	-72.4	22.8	-156.1	48.3	0	0	0	0	117.2
384	N	26.2	Very low	28.4	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	71%	0.709	S	S	*	*			trans	-118.4	34.4	-167	-77.1	9.5	0	0	0	115.2	S382	S382-N384 PolarHBondContact O-N 2.81Å
385	F	25.7	Very low	29.8	Very low	194 Å²	194	123.8 Å²	123.8	85%	0.851	69%	0.691	S	S	*	*			trans	-115.2	107.6	161.8	-89.2	-84.5	0	0	0	111.1	A387	F385-A387 PolarHBondContact O-N 2.84Å
386	T	26.1	Very low	31	Very low	120 Å²	120	119.8 Å²	119.8	74%	0.736	67%	0.667	S	S	*	*			trans	-55.1	130.8	166.7	42.2	0	0	0	0	109.9	N388	T386-N388 VanDerWaalsContact C-N 3.34Å; T386-N388 PolarHBondContact O-N 3.46Å
387	A	27.8	Very low	32.7	Very low	100 Å²	100	114.4 Å²	114.4	83%	0.826	64%	0.635	S	S	*	*			trans	-69.3	85.2	-177.5	0	0	0	0	0	111.7	F385 S389	F385-A387 PolarHBondContact O-N 2.84Å; A387-S389 PolarHBondContact O-N 2.87Å
388	N	25.4	Very low	34.9	Very low	116 Å²	116	112 Å²	112	62%	0.62	61%	0.613	S	S	*	*			trans	-66.7	104.7	166.1	-75.8	12.9	0	0	0	108.3	T386 E390	T386-N388 VanDerWaalsContact C-N 3.34Å; T386-N388 PolarHBondContact O-N 3.46Å; N388-E390 PolarHBondContact O-N 3.33Å
389	S	29.2	Very low	37.4	Very low	120 Å²	120	110.1 Å²	110.1	84%	0.839	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	16.3	-169.2	53.9	0	0	0	0	115.7	A387	A387-S389 PolarHBondContact O-N 2.87Å
390	E	26.4	Very low	39.7	Very low	160 Å²	160	99.7 Å²	99.7	75%	0.748	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-11	177.6	-66.8	-175	136.8	0	0	113.3	N388	N388-E390 PolarHBondContact O-N 3.33Å
391	F	28.5	Very low	42.3	Very low	119 Å²	119	92.7 Å²	92.7	52%	0.522	51%	0.51	S	S	.	.	S	Bend	trans	-82.6	-15	-167.5	-106.9	-81.8	0	0	0	117
392	L	30.1	Very low	45	Very low	132 Å²	132	82.5 Å²	82.5	69%	0.691	47%	0.471	S	S	*	.	S	Bend	trans	-93.2	-29	-175.8	-102	77.7	0	0	0	114.8	T394 S395	L392-T394 VanDerWaalsContact C-N 3.26Å; L392-T394 PolarHBondContact O-N 3.42Å; L392-S395 PolarHBondContact O-N 2.98Å
393	S	30.5	Very low	47.9	Very low	67 Å²	67	77.2 Å²	77.2	47%	0.469	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.7	-166.3	81.3	0	0	0	0	113.9	Q486	S393-Q486 PolarHBondContact O-OE1 2.8Å; S393-Q486 PolarHBondContact OG-OE1 3.31Å
394	T	42.8	Very low	50.4	Low	53 Å²	53	71.1 Å²	71.1	33%	0.325	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.6	-179.2	57.4	0	0	0	0	114.6	L392 T396 K398	L392-T394 VanDerWaalsContact C-N 3.26Å; L392-T394 PolarHBondContact O-N 3.42Å; T394-T396 PolarHBondContact O-N 3.45Å; T394-K398 WeakPolarHBondContact O-CG 3.23Å; T394-K398 PolarHBondContact O-N 2.85Å; T394-K398 WeakPolarHBondContact OG1-CE 3.18Å
395	S	58.7	Low	53.3	Low	38 Å²	38	64.9 Å²	64.9	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-49.4	-170.5	-176.5	0	0	0	0	113.4	L392 S397 K398 K399	L392-S395 PolarHBondContact O-N 2.98Å; S395-S397 PolarHBondContact O-N 3.33Å; S395-K398 PolarHBondContact O-N 3.48Å; S395-K399 WeakPolarHBondContact O-CB 2.95Å; S395-K399 PolarHBondContact O-N 3.28Å
396	T	61.2	Low	56.3	Low	22 Å²	22	55.7 Å²	55.7	14%	0.135	32%	0.324	C	S	.	.	H	α-helix	trans	-70.4	-30.9	-170.1	-38.2	0	0	0	0	113	T394 K399 L400 F480 P481 V483	T394-T396 PolarHBondContact O-N 3.45Å; T396-K399 WeakPolarHBondContact O-CB 3.35Å; T396-L400 PolarHBondContact O-N 3.41Å; T396-F480 HydrophobicContact CG2-CB 4.05Å; T396-F480 HydrophobicContact CG2-CD1 3.85Å; T396-F480 HydrophobicContact CG2-CG 4.45Å; T396-P481 PolarHBondContact OG1-O 2.59Å; T396-P481 VanDerWaalsContact OG1-O 3.08Å; T396-V483 HydrophobicContact CG2-CB 4.45Å; T396-V483 HydrophobicContact CG2-CG2 3.43Å; T396-V483 VanDerWaalsContact CG2-CG2 3.43Å
397	S	63.4	Low	59.3	Low	18 Å²	18	50 Å²	50	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-82	-36.1	177.1	77.1	0	0	0	0	113.1	S395 K399 L400 K401 E540	S395-S397 PolarHBondContact O-N 3.33Å; S397-K399 VanDerWaalsContact C-N 3.27Å; S397-K399 PolarHBondContact O-N 3.4Å; S397-L400 PolarHBondContact O-N 3.45Å; S397-K401 WeakPolarHBondContact O-CG 3.41Å; S397-K401 PolarHBondContact O-N 2.98Å; S397-E540 WeakPolarHBondContact CB-OE1 3.44Å; S397-E540 WeakPolarHBondContact CB-OE2 3.5Å; S397-E540 PolarHBondContact OG-OE1 3.28Å; S397-E540 PolarHBondContact OG-OE2 2.8Å
398	K	72	Confident	62.2	Low	38 Å²	38	47.2 Å²	47.2	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-39.2	169.2	-71	-171.8	-175.2	-159.6	0	111.6	P326 D327 T394 S395 K401 T402	P326-K398 HydrophobicContact CB-CB 4.38Å; P326-K398 HydrophobicContact CG-CB 4.28Å; P326-K398 HydrophobicContact CG-CD 3.83Å; D327-K398 WeakPolarHBondContact OD1-CD 3.14Å; D327-K398 VanDerWaalsContact OD1-CE 3.22Å; D327-K398 WeakPolarHBondContact OD1-CE 3.34Å; D327-K398 IonicContact OD1-NZ 2.76Å; D327-K398 PolarHBondContact OD1-NZ 3.49Å; D327-K398 IonicContact OD2-NZ 3.89Å; D327-K398 PolarHBondContact OD2-NZ 3.14Å; T394-K398 WeakPolarHBondContact O-CG 3.23Å; T394-K398 PolarHBondContact O-N 2.85Å; T394-K398 WeakPolarHBondContact OG1-CE 3.18Å; S395-K398 PolarHBondContact O-N 3.48Å; K398-K401 PolarHBondContact O-N 3.07Å; K398-T402 WeakPolarHBondContact O-CB 3.34Å; K398-T402 PolarHBondContact O-N 3.46Å; K398-T402 PolarHBondContact O-OG1 2.91Å
399	K	77.5	Confident	65.2	Low	15 Å²	15	41.8 Å²	41.8	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-51.5	172	-175.3	174.8	-175.3	169.9	0	111.4	A367 L368 M370 S395 T396 S397 K401 T402 V403 N479 F480	A367-K399 WeakPolarHBondContact O-CE 3.46Å; L368-K399 VanDerWaalsContact CA-CE 3.43Å; L368-K399 WeakPolarHBondContact O-CE 3.4Å; L368-K399 PolarHBondContact O-NZ 3.4Å; M370-K399 PolarHBondContact O-NZ 2.98Å; S395-K399 WeakPolarHBondContact O-CB 2.95Å; S395-K399 PolarHBondContact O-N 3.28Å; T396-K399 WeakPolarHBondContact O-CB 3.35Å; S397-K399 VanDerWaalsContact C-N 3.27Å; S397-K399 PolarHBondContact O-N 3.4Å; K399-K401 PolarHBondContact O-N 2.87Å; K399-T402 PolarHBondContact O-N 2.03Å; K399-V403 WeakPolarHBondContact O-CB 3.45Å; K399-V403 WeakPolarHBondContact O-CG2 3.37Å; K399-V403 PolarHBondContact O-N 3.07Å; K399-N479 WeakPolarHBondContact CE-O 3.19Å; K399-N479 PolarHBondContact NZ-O 3.28Å; K399-F480 HydrophobicContact CB-CE1 4.49Å; K399-F480 HydrophobicContact CD-CD1 4.37Å; K399-F480 HydrophobicContact CD-CE1 4.29Å; K399-F480 HydrophobicContact CG-CE1 4.05Å
400	L	76.5	Confident	68.1	Low	4 Å²	4	36.1 Å²	36.1	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-44.1	177.1	-177.4	61.3	0	0	0	112.8	T396 S397 T402 V403 S404 F480 V502 L504 L532 W542 A569	T396-L400 PolarHBondContact O-N 3.41Å; S397-L400 PolarHBondContact O-N 3.45Å; L400-T402 PolarHBondContact O-N 2.96Å; L400-V403 PolarHBondContact O-N 3.34Å; L400-S404 WeakPolarHBondContact O-CB 2.92Å; L400-S404 PolarHBondContact O-N 3.48Å; L400-F480 HydrophobicContact CB-CE1 3.96Å; L400-F480 HydrophobicContact CB-CZ 4.24Å; L400-F480 HydrophobicContact CD1-CE1 4.29Å; L400-F480 HydrophobicContact CD1-CE2 4.29Å; L400-F480 HydrophobicContact CD1-CZ 3.7Å; L400-V502 HydrophobicContact CD1-CG1 3.95Å; L400-L504 HydrophobicContact CD1-CD2 4.05Å; L400-L532 HydrophobicContact CD2-CD2 3.75Å; L400-W542 HydrophobicContact CD2-CH2 4.04Å; L400-W542 HydrophobicContact CD2-CZ2 3.61Å; L400-A569 HydrophobicContact CD1-CB 4.43Å; L400-A569 HydrophobicContact CD2-CB 4.27Å
401	K	77.6	Confident	71.1	Confident	25 Å²	25	28.5 Å²	28.5	11%	0.109	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-46	175.6	-77	166.7	165.8	165.9	0	112.2	L330 S397 K398 K399 V403 S404 V405 F538 E540	L330-K401 HydrophobicContact CD1-CB 4.17Å; L330-K401 HydrophobicContact CD1-CD 4.46Å; L330-K401 HydrophobicContact CD2-CB 3.87Å; S397-K401 WeakPolarHBondContact O-CG 3.41Å; S397-K401 PolarHBondContact O-N 2.98Å; K398-K401 PolarHBondContact O-N 3.07Å; K399-K401 PolarHBondContact O-N 2.87Å; K401-V403 VanDerWaalsContact C-N 3.34Å; K401-V403 PolarHBondContact O-N 3.47Å; K401-S404 WeakPolarHBondContact O-CB 3.44Å; K401-S404 PolarHBondContact O-N 3.28Å; K401-V405 WeakPolarHBondContact O-CG2 3.18Å; K401-V405 PolarHBondContact O-N 2.96Å; K401-F538 PolarHBondContact NZ-O 2.96Å; K401-E540 VanDerWaalsContact CE-OE1 3.26Å; K401-E540 WeakPolarHBondContact CE-OE1 3.4Å; K401-E540 IonicContact NZ-OE1 3.21Å; K401-E540 PolarHBondContact NZ-OE1 3.04Å
402	T	82.6	Confident	73.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-42.5	179.6	-56.5	0	0	0	0	111.3	Y322 I329 K398 K399 L400 V405 F406	Y322-T402 HydrophobicContact CD2-CG2 3.71Å; Y322-T402 HydrophobicContact CE2-CG2 3.79Å; I329-T402 HydrophobicContact CB-CG2 4.41Å; I329-T402 HydrophobicContact CG2-CG2 4.07Å; K398-T402 WeakPolarHBondContact O-CB 3.34Å; K398-T402 PolarHBondContact O-N 3.46Å; K398-T402 PolarHBondContact O-OG1 2.91Å; K399-T402 PolarHBondContact O-N 2.03Å; L400-T402 PolarHBondContact O-N 2.96Å; T402-V405 WeakPolarHBondContact O-CB 3.36Å; T402-V405 PolarHBondContact O-N 3.43Å; T402-F406 HydrophobicContact CG2-CD2 4.02Å; T402-F406 HydrophobicContact CG2-CE2 3.48Å; T402-F406 VanDerWaalsContact CG2-CE2 3.48Å; T402-F406 HydrophobicContact CG2-CZ 3.87Å; T402-F406 WeakPolarHBondContact O-CD2 3.41Å; T402-F406 WeakPolarHBondContact O-CG 3.47Å; T402-F406 PolarHBondContact O-N 2.94Å
403	V	85.9	Confident	76.8	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.3	-35.7	179.9	175	0	0	0	0	111.6	M364 A367 L368 K399 L400 K401 F406 L407 I475 L504	M364-V403 HydrophobicContact CE-CG1 3.39Å; M364-V403 HydrophobicContact CG-CB 4.47Å; M364-V403 HydrophobicContact CG-CG1 3.8Å; M364-V403 HydrophobicContact CG-CG2 4.46Å; M364-V403 HydrophobicContact SD-CG1 4.42Å; A367-V403 HydrophobicContact CB-CG2 4.32Å; L368-V403 HydrophobicContact CD1-CG1 4.05Å; L368-V403 HydrophobicContact CD1-CG2 4.25Å; L368-V403 HydrophobicContact CD2-CG1 4.38Å; L368-V403 HydrophobicContact CD2-CG2 3.81Å; L368-V403 HydrophobicContact CG-CG1 4.32Å; L368-V403 HydrophobicContact CG-CG2 3.68Å; K399-V403 WeakPolarHBondContact O-CB 3.45Å; K399-V403 WeakPolarHBondContact O-CG2 3.37Å; K399-V403 PolarHBondContact O-N 3.07Å; L400-V403 PolarHBondContact O-N 3.34Å; K401-V403 VanDerWaalsContact C-N 3.34Å; K401-V403 PolarHBondContact O-N 3.47Å; V403-F406 PolarHBondContact O-N 3.27Å; V403-L407 PolarHBondContact O-N 2.95Å; V403-I475 HydrophobicContact CG1-CD1 3.62Å; V403-L504 HydrophobicContact CG1-CD1 3.75Å
404	S	83.7	Confident	79.6	Confident	9 Å²	9	13.4 Å²	13.4	6%	0.063	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-45.8	170.3	-168.2	0	0	0	0	111.7	L400 K401 L407 H408 T567	L400-S404 WeakPolarHBondContact O-CB 2.92Å; L400-S404 PolarHBondContact O-N 3.48Å; K401-S404 WeakPolarHBondContact O-CB 3.44Å; K401-S404 PolarHBondContact O-N 3.28Å; S404-L407 PolarHBondContact O-N 3.04Å; S404-H408 PolarHBondContact O-N 3.19Å; S404-T567 WeakPolarHBondContact OG-CB 3.38Å; S404-T567 VanDerWaalsContact OG-CG2 3.27Å; S404-T567 WeakPolarHBondContact OG-CG2 3.46Å
405	V	86.8	Confident	81.8	Confident	13 Å²	13	12.8 Å²	12.8	8%	0.079	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-44.5	175.8	158.4	0	0	0	0	112.1	I329 L330 T333 K401 T402 H408 L409	I329-V405 HydrophobicContact CG2-CG1 4.29Å; L330-V405 HydrophobicContact CD2-CG2 4.02Å; T333-V405 HydrophobicContact CG2-CG1 3.47Å; T333-V405 VanDerWaalsContact CG2-CG1 3.47Å; T333-V405 WeakPolarHBondContact OG1-CG1 3.12Å; K401-V405 WeakPolarHBondContact O-CG2 3.18Å; K401-V405 PolarHBondContact O-N 2.96Å; T402-V405 WeakPolarHBondContact O-CB 3.36Å; T402-V405 PolarHBondContact O-N 3.43Å; V405-H408 WeakPolarHBondContact O-CB 3.34Å; V405-H408 PolarHBondContact O-N 3.09Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 WeakPolarHBondContact O-CG 3.46Å; V405-L409 PolarHBondContact O-N 2.96Å; V405-L409 VanDerWaalsContact O-N 3.13Å
406	F	89.9	Confident	83.1	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.3	-41.3	176.5	-67.9	-40.2	0	0	0	112	A318 I329 L360 M364 A367 T402 V403 H408 L409 I410	A318-F406 HydrophobicContact CB-CE1 3.97Å; A318-F406 HydrophobicContact CB-CZ 3.9Å; I329-F406 HydrophobicContact CG2-CE1 3.94Å; I329-F406 HydrophobicContact CG2-CZ 4.09Å; L360-F406 HydrophobicContact CD2-CD1 3.85Å; L360-F406 HydrophobicContact CD2-CE1 4.12Å; M364-F406 HydrophobicContact CB-CB 4.02Å; M364-F406 HydrophobicContact CB-CD2 3.87Å; M364-F406 HydrophobicContact CB-CG 4.31Å; M364-F406 HydrophobicContact CG-CB 4.11Å; M364-F406 HydrophobicContact CG-CD2 4.3Å; M364-F406 HydrophobicContact SD-CB 4.4Å; A367-F406 HydrophobicContact CB-CE2 4.31Å; T402-F406 HydrophobicContact CG2-CD2 4.02Å; T402-F406 HydrophobicContact CG2-CE2 3.48Å; T402-F406 VanDerWaalsContact CG2-CE2 3.48Å; T402-F406 HydrophobicContact CG2-CZ 3.87Å; T402-F406 WeakPolarHBondContact O-CD2 3.41Å; T402-F406 WeakPolarHBondContact O-CG 3.47Å; T402-F406 PolarHBondContact O-N 2.94Å; V403-F406 PolarHBondContact O-N 3.27Å; F406-H408 VanDerWaalsContact C-N 3.3Å; F406-H408 PolarHBondContact O-N 2.93Å; F406-L409 PolarHBondContact O-N 3.43Å; F406-I410 WeakPolarHBondContact O-CB 3.28Å; F406-I410 VanDerWaalsContact O-CD1 3.29Å; F406-I410 WeakPolarHBondContact O-CD1 3.5Å; F406-I410 WeakPolarHBondContact O-CG1 3.41Å; F406-I410 PolarHBondContact O-N 2.93Å
407	L	88.3	Confident	84.4	Confident	2 Å²	2	12.4 Å²	12.4	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-58.2	-43.9	174.7	178.9	64.4	0	0	0	111.5	M364 V403 S404 I410 A411 F436 A473 L504 D506 T567	M364-L407 HydrophobicContact CE-CB 4.08Å; V403-L407 PolarHBondContact O-N 2.95Å; S404-L407 PolarHBondContact O-N 3.04Å; L407-I410 PolarHBondContact O-N 3.25Å; L407-A411 VanDerWaalsContact O-CB 3.29Å; L407-A411 WeakPolarHBondContact O-CB 3.19Å; L407-A411 PolarHBondContact O-N 3.33Å; L407-F436 HydrophobicContact CD1-CD1 4.26Å; L407-F436 HydrophobicContact CD1-CE1 3.96Å; L407-A473 HydrophobicContact CD1-CB 4.02Å; L407-A473 HydrophobicContact CD2-CB 4.06Å; L407-L504 HydrophobicContact CD2-CB 3.46Å; L407-L504 VanDerWaalsContact CD2-CB 3.46Å; L407-L504 HydrophobicContact CD2-CD1 4.31Å; L407-D506 HydrophobicContact CD2-CB 4.33Å; L407-D506 HydrophobicContact CG-CB 4.33Å; L407-T567 HydrophobicContact CD2-CG2 4.03Å
408	H	88.1	Confident	85.5	Confident	40 Å²	40	16 Å²	16	19%	0.185	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-50.4	178.9	-171.6	57.2	0	0	0	112.3	D338 S404 V405 F406 I410 A411 E412 D506 T567	D338-H408 IonicContact OD1-CE1 2.74Å; D338-H408 IonicContact OD1-NE2 3.43Å; D338-H408 PolarHBondContact OD1-NE2 2.9Å; S404-H408 PolarHBondContact O-N 3.19Å; V405-H408 WeakPolarHBondContact O-CB 3.34Å; V405-H408 PolarHBondContact O-N 3.09Å; F406-H408 VanDerWaalsContact C-N 3.3Å; F406-H408 PolarHBondContact O-N 2.93Å; H408-I410 VanDerWaalsContact C-N 3.33Å; H408-I410 PolarHBondContact O-N 2.84Å; H408-A411 PolarHBondContact O-N 3.24Å; H408-E412 PolarHBondContact O-N 3.19Å; H408-D506 IonicContact CE1-OD2 2.63Å; H408-D506 IonicContact CG-OD2 3.96Å; H408-D506 IonicContact ND1-OD1 3.84Å; H408-D506 IonicContact ND1-OD2 2.69Å; H408-D506 PolarHBondContact ND1-OD2 3.2Å; H408-T567 WeakPolarHBondContact CB-OG1 3.26Å; H408-T567 PolarHBondContact ND1-OG1 3.23Å
409	L	89.8	Confident	86	Confident	3 Å²	3	15.6 Å²	15.6	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-43.5	176.6	-66.5	176	0	0	0	111.7	L311 T333 I341 L360 V405 F406 E412 I413	L311-L409 HydrophobicContact CD1-CD1 3.96Å; L311-L409 HydrophobicContact CD1-CD2 3.9Å; L311-L409 HydrophobicContact CD1-CG 4.39Å; T333-L409 HydrophobicContact CG2-CD1 3.97Å; I341-L409 HydrophobicContact CD1-CD2 3.7Å; I341-L409 HydrophobicContact CG1-CD2 4.26Å; L360-L409 HydrophobicContact CD1-CB 3.92Å; L360-L409 HydrophobicContact CD1-CD1 4.44Å; L360-L409 HydrophobicContact CD2-CD1 4.24Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 WeakPolarHBondContact O-CG 3.46Å; V405-L409 PolarHBondContact O-N 2.96Å; V405-L409 VanDerWaalsContact O-N 3.13Å; F406-L409 PolarHBondContact O-N 3.43Å; L409-E412 PolarHBondContact O-N 2.69Å; L409-I413 WeakPolarHBondContact O-CD1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.26Å; L409-I413 PolarHBondContact O-N 2.83Å
410	I	90.1	Very high	86.5	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-65.4	-42.8	178.6	-68.7	160.8	0	0	0	111.2	L360 L361 M364 F406 L407 H408 E412 I413 A414 L424	L360-I410 HydrophobicContact CB-CD1 3.96Å; L360-I410 HydrophobicContact CB-CG1 3.77Å; L360-I410 HydrophobicContact CD1-CG1 4.31Å; L361-I410 HydrophobicContact CD2-CD1 3.78Å; L361-I410 HydrophobicContact CD2-CG2 4.49Å; L361-I410 HydrophobicContact CG-CD1 3.89Å; M364-I410 HydrophobicContact SD-CD1 4.23Å; F406-I410 WeakPolarHBondContact O-CB 3.28Å; F406-I410 VanDerWaalsContact O-CD1 3.29Å; F406-I410 WeakPolarHBondContact O-CD1 3.5Å; F406-I410 WeakPolarHBondContact O-CG1 3.41Å; F406-I410 PolarHBondContact O-N 2.93Å; L407-I410 PolarHBondContact O-N 3.25Å; H408-I410 VanDerWaalsContact C-N 3.33Å; H408-I410 PolarHBondContact O-N 2.84Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 2.98Å; I410-I413 PolarHBondContact O-N 3.38Å; I410-A414 VanDerWaalsContact O-CB 3.29Å; I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.1Å; I410-L424 HydrophobicContact CG2-CD1 4.16Å; I410-L424 HydrophobicContact CG2-CD2 3.94Å
411	A	89.2	Confident	86.9	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61	-43.7	177.3	0	0	0	0	0	111.3	L407 H408 A414 R415 F471 D506	L407-A411 VanDerWaalsContact O-CB 3.29Å; L407-A411 WeakPolarHBondContact O-CB 3.19Å; L407-A411 PolarHBondContact O-N 3.33Å; H408-A411 PolarHBondContact O-N 3.24Å; A411-A414 WeakPolarHBondContact O-CB 3.33Å; A411-A414 PolarHBondContact O-N 3.17Å; A411-R415 WeakPolarHBondContact O-CG 3.19Å; A411-R415 PolarHBondContact O-N 3.12Å; A411-F471 HydrophobicContact CB-CB 4.15Å; A411-F471 HydrophobicContact CB-CD2 3.61Å; A411-F471 HydrophobicContact CB-CE2 4.24Å; A411-F471 HydrophobicContact CB-CG 3.94Å; A411-D506 HydrophobicContact CB-CB 4.13Å; A411-D506 WeakPolarHBondContact CB-OD1 3.21Å
412	E	88.1	Confident	87.1	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.5	-34.4	179.8	-166.8	50.2	-144.9	0	0	112.8	I341 R342 H408 L409 I410 R415 Q416	I341-E412 HydrophobicContact CB-CG 4.45Å; I341-E412 HydrophobicContact CG2-CB 4.29Å; I341-E412 HydrophobicContact CG2-CG 3.84Å; R342-E412 IonicContact CZ-OE1 3.57Å; R342-E412 IonicContact NE-OE1 3.6Å; R342-E412 PolarHBondContact NE-OE1 2.68Å; R342-E412 IonicContact NH2-OE1 2.69Å; R342-E412 PolarHBondContact NH2-OE1 3.11Å; R342-E412 IonicContact NH2-OE2 3.65Å; H408-E412 PolarHBondContact O-N 3.19Å; L409-E412 PolarHBondContact O-N 2.69Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 2.98Å; E412-R415 WeakPolarHBondContact OE2-CD 3.32Å; E412-R415 IonicContact OE2-CZ 2.68Å; E412-R415 IonicContact OE2-NE 3.84Å; E412-R415 IonicContact OE2-NH1 2.81Å; E412-R415 PolarHBondContact OE2-NH1 2.69Å; E412-Q416 PolarHBondContact OE1-NE2 3.25Å
413	I	89.8	Confident	87.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-43.8	168.3	-62.4	161.1	0	0	0	111	L311 L345 R353 V356 A357 L360 L409 I410 Q416 T417 V420	L311-I413 HydrophobicContact CD2-CD1 4.38Å; L345-I413 HydrophobicContact CD1-CB 4.4Å; L345-I413 HydrophobicContact CD1-CG1 3.87Å; L345-I413 HydrophobicContact CD2-CG1 3.78Å; L345-I413 HydrophobicContact CG-CG1 4.46Å; R353-I413 HydrophobicContact CB-CG2 4.11Å; V356-I413 HydrophobicContact CG1-CD1 3.94Å; A357-I413 HydrophobicContact CB-CD1 4.26Å; A357-I413 HydrophobicContact CB-CG2 4.11Å; L360-I413 HydrophobicContact CD1-CD1 3.73Å; L409-I413 WeakPolarHBondContact O-CD1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.26Å; L409-I413 PolarHBondContact O-N 2.83Å; I410-I413 PolarHBondContact O-N 3.38Å; I413-Q416 PolarHBondContact O-N 3.35Å; I413-T417 WeakPolarHBondContact O-CB 3.29Å; I413-T417 PolarHBondContact O-N 3.46Å; I413-T417 VanDerWaalsContact O-N 3.08Å; I413-T417 PolarHBondContact O-OG1 2.75Å; I413-V420 HydrophobicContact CG2-CG2 4.1Å
414	A	89.7	Confident	86.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-41.9	-176.2	0	0	0	0	0	112.5	I410 A411 Q416 T417 V420 I421 L424 F471	I410-A414 VanDerWaalsContact O-CB 3.29Å; I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.1Å; A411-A414 WeakPolarHBondContact O-CB 3.33Å; A411-A414 PolarHBondContact O-N 3.17Å; A414-Q416 PolarHBondContact O-N 3.35Å; A414-T417 CarbonylContact O-C 3.59Å; A414-T417 PolarHBondContact O-N 3.11Å; A414-V420 HydrophobicContact CB-CB 4.38Å; A414-V420 HydrophobicContact CB-CG1 3.94Å; A414-I421 HydrophobicContact CB-CG1 4.04Å; A414-L424 HydrophobicContact CB-CD1 4.27Å; A414-F471 HydrophobicContact CB-CE1 3.7Å; A414-F471 HydrophobicContact CB-CZ 3.67Å
415	R	87.9	Confident	86.5	Confident	41 Å²	41	27 Å²	27	16%	0.155	13%	0.134	C	C	.	.	H	α-helix	trans	-55.6	-31	174.8	-72.6	170.1	-172.6	121.9	9	113.7	A411 E412 D469 F471 D506 N508	A411-R415 WeakPolarHBondContact O-CG 3.19Å; A411-R415 PolarHBondContact O-N 3.12Å; E412-R415 WeakPolarHBondContact OE2-CD 3.32Å; E412-R415 IonicContact OE2-CZ 2.68Å; E412-R415 IonicContact OE2-NE 3.84Å; E412-R415 IonicContact OE2-NH1 2.81Å; E412-R415 PolarHBondContact OE2-NH1 2.69Å; R415-D469 HydrophobicContact CG-CB 4.47Å; R415-F471 HydrophobicContact CG-CE2 3.85Å; R415-F471 HydrophobicContact CG-CZ 4.38Å; R415-D506 IonicContact CZ-OD1 2.68Å; R415-D506 IonicContact NH1-OD1 3.43Å; R415-D506 PolarHBondContact NH1-OD1 2.85Å; R415-D506 IonicContact NH2-OD1 3.43Å; R415-D506 PolarHBondContact NH2-OD1 3.28Å; R415-N508 WeakPolarHBondContact CD-ND2 3.36Å; R415-N508 PolarHBondContact NE-ND2 2.97Å; R415-N508 PolarHBondContact NE-OD1 2.72Å; R415-N508 PolarHBondContact NH1-OD1 3.35Å; R415-N508 PolarHBondContact NH2-OD1 2.89Å
416	Q	86.9	Confident	85.5	Confident	51 Å²	51	29.5 Å²	29.5	24%	0.238	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-3.5	179.6	-58	-175	28.9	0	0	113.5	R342 R353 E412 I413 A414	R342-Q416 VanDerWaalsContact CG-NE2 3.26Å; R353-Q416 PolarHBondContact NH1-O 3.2Å; E412-Q416 PolarHBondContact OE1-NE2 3.25Å; I413-Q416 PolarHBondContact O-N 3.35Å; A414-Q416 PolarHBondContact O-N 3.35Å
417	T	88.8	Confident	84	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.168	C	C	.	.			trans	-144.2	87.4	-168.2	-40.7	0	0	0	0	110.3	V350 R353 I413 A414 S419 V420	V350-T417 HydrophobicContact CG1-CG2 4.04Å; R353-T417 HydrophobicContact CB-CG2 4.09Å; R353-T417 VanDerWaalsContact CD-OG1 3.27Å; R353-T417 WeakPolarHBondContact CD-OG1 3.29Å; I413-T417 WeakPolarHBondContact O-CB 3.29Å; I413-T417 PolarHBondContact O-N 3.46Å; I413-T417 VanDerWaalsContact O-N 3.08Å; I413-T417 PolarHBondContact O-OG1 2.75Å; A414-T417 CarbonylContact O-C 3.59Å; A414-T417 PolarHBondContact O-N 3.11Å; T417-S419 PolarHBondContact O-N 2.72Å; T417-V420 HydrophobicContact CG2-CG2 3.87Å; T417-V420 WeakPolarHBondContact O-CB 3.37Å; T417-V420 PolarHBondContact O-N 2.82Å
418	P	86.2	Confident	82	Confident	93 Å²	93	40.3 Å²	40.3	60%	0.604	21%	0.208	S	C	*	.	H	α-helix	trans	-54.1	-32.8	-176.8	-29.3	36	0	0	0	114.2	V420 I421 D422	P418-V420 PolarHBondContact O-N 2.92Å; P418-I421 WeakPolarHBondContact O-CA 3.21Å; P418-I421 VanDerWaalsContact O-CB 3.32Å; P418-I421 WeakPolarHBondContact O-CB 2.98Å; P418-I421 PolarHBondContact O-N 3.12Å; P418-D422 PolarHBondContact O-N 2.94Å; P418-D422 VanDerWaalsContact O-N 3.08Å
419	S	83.3	Confident	80.1	Confident	29 Å²	29	41.4 Å²	41.4	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-20.1	177.4	80.1	0	0	0	0	113.5	R354 T417 L423	R354-S419 PolarHBondContact NH1-O 3.14Å; T417-S419 PolarHBondContact O-N 2.72Å; S419-L423 PolarHBondContact O-N 3.43Å; S419-L423 VanDerWaalsContact O-N 3.07Å
420	V	87.1	Confident	78.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-81.4	-31.9	172	176.1	0	0	0	0	111.2	R354 A357 I413 A414 T417 P418 D422 L423 L424	R354-V420 HydrophobicContact CB-CG2 4.26Å; R354-V420 HydrophobicContact CG-CG2 4.43Å; A357-V420 HydrophobicContact CB-CB 4.48Å; A357-V420 HydrophobicContact CB-CG1 3.67Å; A357-V420 HydrophobicContact CB-CG2 3.88Å; I413-V420 HydrophobicContact CG2-CG2 4.1Å; A414-V420 HydrophobicContact CB-CB 4.38Å; A414-V420 HydrophobicContact CB-CG1 3.94Å; T417-V420 HydrophobicContact CG2-CG2 3.87Å; T417-V420 WeakPolarHBondContact O-CB 3.37Å; T417-V420 PolarHBondContact O-N 2.82Å; P418-V420 PolarHBondContact O-N 2.92Å; V420-D422 VanDerWaalsContact C-N 3.28Å; V420-D422 PolarHBondContact O-N 3.42Å; V420-L423 WeakPolarHBondContact O-CB 3.31Å; V420-L423 PolarHBondContact O-N 2.77Å; V420-L423 VanDerWaalsContact O-N 3.14Å; V420-L424 WeakPolarHBondContact O-CG 3.22Å; V420-L424 PolarHBondContact O-N 2.78Å
421	I	85.6	Confident	76.2	Confident	22 Å²	22	50.7 Å²	50.7	11%	0.113	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-43.2	167.8	-56.8	175.7	0	0	0	109.6	A414 P418 L423 L424 R425 H438 F471	A414-I421 HydrophobicContact CB-CG1 4.04Å; P418-I421 WeakPolarHBondContact O-CA 3.21Å; P418-I421 VanDerWaalsContact O-CB 3.32Å; P418-I421 WeakPolarHBondContact O-CB 2.98Å; P418-I421 PolarHBondContact O-N 3.12Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 3.24Å; I421-L424 PolarHBondContact O-N 2.78Å; I421-R425 WeakPolarHBondContact O-CB 3.39Å; I421-R425 PolarHBondContact O-N 2.86Å; I421-H438 HydrophobicContact CG2-CB 4.23Å; I421-H438 VanDerWaalsContact CG2-ND1 3.32Å; I421-H438 WeakPolarHBondContact CG2-ND1 2.99Å; I421-F471 HydrophobicContact CG1-CE1 4.39Å; I421-F471 HydrophobicContact CG1-CZ 4.47Å
422	D	82.4	Confident	74.7	Confident	85 Å²	85	60.9 Å²	60.9	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-37.5	173.2	-67.2	-38	0	0	0	112.5	P418 V420 R425 S426	P418-D422 PolarHBondContact O-N 2.94Å; P418-D422 VanDerWaalsContact O-N 3.08Å; V420-D422 VanDerWaalsContact C-N 3.28Å; V420-D422 PolarHBondContact O-N 3.42Å; D422-R425 PolarHBondContact O-N 2.82Å; D422-R425 IonicContact OD1-NH1 2.68Å; D422-S426 WeakPolarHBondContact O-CB 3.32Å; D422-S426 PolarHBondContact O-N 2.97Å; D422-S426 PolarHBondContact O-OG 3.47Å
423	L	81	Confident	73.5	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-50.8	174.9	-177.9	63.9	0	0	0	110.7	L361 S419 V420 I421 R425 S426 E429	L361-L423 HydrophobicContact CD1-CD2 3.68Å; L361-L423 HydrophobicContact CD1-CG 4.08Å; S419-L423 PolarHBondContact O-N 3.43Å; S419-L423 VanDerWaalsContact O-N 3.07Å; V420-L423 WeakPolarHBondContact O-CB 3.31Å; V420-L423 PolarHBondContact O-N 2.77Å; V420-L423 VanDerWaalsContact O-N 3.14Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 3.24Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 3.05Å; L423-S426 PolarHBondContact O-N 3.01Å; L423-S426 PolarHBondContact O-OG 2.87Å; L423-E429 HydrophobicContact CD1-CG 4.13Å
424	L	82.1	Confident	72.6	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-39.9	177.6	-63.9	173.5	0	0	0	112.5	L361 I410 A414 V420 I421 F436 F471	L361-L424 HydrophobicContact CD1-CD2 4.17Å; L361-L424 HydrophobicContact CD2-CD2 3.77Å; I410-L424 HydrophobicContact CG2-CD1 4.16Å; I410-L424 HydrophobicContact CG2-CD2 3.94Å; A414-L424 HydrophobicContact CB-CD1 4.27Å; V420-L424 WeakPolarHBondContact O-CG 3.22Å; V420-L424 PolarHBondContact O-N 2.78Å; I421-L424 PolarHBondContact O-N 2.78Å; L424-F436 HydrophobicContact CB-CB 4.16Å; L424-F436 HydrophobicContact CD2-CB 4.17Å; L424-F436 HydrophobicContact CD2-CD1 3.89Å; L424-F436 HydrophobicContact CD2-CD2 3.86Å; L424-F436 HydrophobicContact CD2-CE1 4.16Å; L424-F436 HydrophobicContact CD2-CE2 4.15Å; L424-F436 HydrophobicContact CD2-CG 3.71Å; L424-F436 HydrophobicContact CD2-CZ 4.28Å; L424-F471 HydrophobicContact CD1-CD1 3.96Å; L424-F471 HydrophobicContact CD1-CE1 4.07Å
425	R	75	Confident	71.9	Confident	163 Å²	163	66.6 Å²	66.6	62%	0.615	33%	0.328	S	S	*	.	H	α-helix	trans	-74.8	-30.4	179.4	-170.1	-175.3	-67.2	153.8	-3.4	113.2	I421 D422 L423 G427	I421-R425 WeakPolarHBondContact O-CB 3.39Å; I421-R425 PolarHBondContact O-N 2.86Å; D422-R425 PolarHBondContact O-N 2.82Å; D422-R425 IonicContact OD1-NH1 2.68Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 3.05Å; R425-G427 PolarHBondContact O-N 2.71Å; R425-G427 VanDerWaalsContact O-N 3.1Å
426	S	66.7	Low	71.5	Confident	65 Å²	65	65.7 Å²	65.7	46%	0.455	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.5	-167.4	66.8	0	0	0	0	115.9	D422 L423 K428	D422-S426 WeakPolarHBondContact O-CB 3.32Å; D422-S426 PolarHBondContact O-N 2.97Å; D422-S426 PolarHBondContact O-OG 3.47Å; L423-S426 PolarHBondContact O-N 3.01Å; L423-S426 PolarHBondContact O-OG 2.87Å; S426-K428 PolarHBondContact O-N 3.17Å
427	G	57.8	Low	70.9	Confident	33 Å²	33	67.7 Å²	67.7	34%	0.34	33%	0.331	S	S	.	.			trans	67.4	-15.7	168.6	0	0	0	0	0	116.9	R425 E429 T430	R425-G427 PolarHBondContact O-N 2.71Å; R425-G427 VanDerWaalsContact O-N 3.1Å; G427-E429 PolarHBondContact O-N 3.11Å; G427-T430 PolarHBondContact O-N 3.09Å; G427-T430 PolarHBondContact O-OG1 3.09Å
428	K	47.6	Very low	70.5	Confident	196 Å²	196	69 Å²	69	85%	0.852	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.6	173.3	-82.2	-171.4	170.4	-174.6	0	113.6	S426	S426-K428 PolarHBondContact O-N 3.17Å
429	E	47.5	Very low	69.9	Low	63 Å²	63	64.8 Å²	64.8	29%	0.294	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.5	-175.5	-76.8	-75	128.1	0	0	112.1	R365 L423 G427 E431	R365-E429 IonicContact CZ-OE2 2.72Å; R365-E429 PolarHBondContact NE-O 3.2Å; R365-E429 IonicContact NH1-OE2 3.99Å; R365-E429 PolarHBondContact NH1-OE2 2.62Å; R365-E429 VanDerWaalsContact NH2-CB 3.32Å; R365-E429 PolarHBondContact NH2-O 3.39Å; R365-E429 IonicContact NH2-OE2 3.15Å; R365-E429 PolarHBondContact NH2-OE2 2.91Å; L423-E429 HydrophobicContact CD1-CG 4.13Å; G427-E429 PolarHBondContact O-N 3.11Å; E429-E431 PolarHBondContact O-N 2.83Å
430	T	47.5	Very low	69.4	Low	55 Å²	55	65.1 Å²	65.1	34%	0.337	31%	0.312	S	S	.	.			trans	-92.5	73	175.8	60	0	0	0	0	110.5	G427 L434	G427-T430 PolarHBondContact O-N 3.09Å; G427-T430 PolarHBondContact O-OG1 3.09Å; T430-L434 WeakPolarHBondContact CB-O 3.47Å; T430-L434 WeakPolarHBondContact CG2-O 3.44Å
431	E	50.6	Low	68.3	Low	143 Å²	143	68.8 Å²	68.8	67%	0.668	34%	0.337	S	S	*	.			trans	-62.6	174.2	159.9	-74.2	-148	132.3	0	0	111.2	E429 S433 L434	E429-E431 PolarHBondContact O-N 2.83Å; E431-S433 PolarHBondContact O-N 3.08Å; E431-L434 PolarHBondContact O-N 2.88Å
432	K	56.6	Low	67	Low	214 Å²	214	74.8 Å²	74.8	93%	0.93	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-20.2	-167.5	-64.3	174.2	-178.2	170.6	0	115.6
433	S	63.8	Low	65.7	Low	11 Å²	11	73.8 Å²	73.8	8%	0.077	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.9	-172.6	53.3	0	0	0	0	116.1	D369 E431 P476	D369-S433 WeakPolarHBondContact OD1-CB 3.26Å; E431-S433 PolarHBondContact O-N 3.08Å; S433-P476 WeakPolarHBondContact O-CD 3.48Å
434	L	70.8	Confident	64.8	Low	9 Å²	9	74.9 Å²	74.9	5%	0.047	38%	0.378	C	S	.	.			trans	-155.4	145.2	-178.4	-147.1	116.9	0	0	0	115.9	M364 L368 T430 E431 F436 A473 I475	M364-L434 HydrophobicContact CE-CD1 4.09Å; M364-L434 HydrophobicContact CE-CD2 4.11Å; M364-L434 HydrophobicContact SD-CD2 4.29Å; L368-L434 HydrophobicContact CD1-CD1 3.1Å; T430-L434 WeakPolarHBondContact CB-O 3.47Å; T430-L434 WeakPolarHBondContact CG2-O 3.44Å; E431-L434 PolarHBondContact O-N 2.88Å; L434-F436 HydrophobicContact CD2-CD1 4.16Å; L434-F436 HydrophobicContact CD2-CD2 3.77Å; L434-F436 HydrophobicContact CD2-CE1 3.59Å; L434-F436 HydrophobicContact CD2-CE2 3.12Å; L434-F436 HydrophobicContact CD2-CG 4.24Å; L434-F436 HydrophobicContact CD2-CZ 3.02Å; L434-A473 HydrophobicContact CD2-CB 4.33Å; L434-I475 HydrophobicContact CD1-CG1 3.78Å
435	R	73.8	Confident	63.9	Low	101 Å²	101	79.3 Å²	79.3	38%	0.381	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.7	175.7	-56.5	-171.2	-167.8	169.7	16.4	111.9	N449 A473 V474	R435-N449 PolarHBondContact NH1-O 2.91Å; R435-A473 WeakPolarHBondContact O-CA 3.38Å; R435-V474 PolarHBondContact N-O 3.09Å; R435-V474 PolarHBondContact O-N 3.1Å
436	F	80	Confident	63.4	Low	21 Å²	21	72.3 Å²	72.3	9%	0.092	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.8	178.1	-65.3	-81.6	0	0	0	112.1	L361 M364 L407 L424 L434 I472 A473	L361-F436 HydrophobicContact CD2-CD2 4.2Å; L361-F436 HydrophobicContact CD2-CE1 4.07Å; L361-F436 HydrophobicContact CD2-CE2 3.22Å; L361-F436 HydrophobicContact CD2-CZ 3.13Å; M364-F436 HydrophobicContact CE-CE1 4.19Å; M364-F436 HydrophobicContact CE-CZ 4.29Å; M364-F436 HydrophobicContact SD-CE1 4.09Å; M364-F436 HydrophobicContact SD-CZ 3.74Å; L407-F436 HydrophobicContact CD1-CD1 4.26Å; L407-F436 HydrophobicContact CD1-CE1 3.96Å; L424-F436 HydrophobicContact CB-CB 4.16Å; L424-F436 HydrophobicContact CD2-CB 4.17Å; L424-F436 HydrophobicContact CD2-CD1 3.89Å; L424-F436 HydrophobicContact CD2-CD2 3.86Å; L424-F436 HydrophobicContact CD2-CE1 4.16Å; L424-F436 HydrophobicContact CD2-CE2 4.15Å; L424-F436 HydrophobicContact CD2-CG 3.71Å; L424-F436 HydrophobicContact CD2-CZ 4.28Å; L434-F436 HydrophobicContact CD2-CD1 4.16Å; L434-F436 HydrophobicContact CD2-CD2 3.77Å; L434-F436 HydrophobicContact CD2-CE1 3.59Å; L434-F436 HydrophobicContact CD2-CE2 3.12Å; L434-F436 HydrophobicContact CD2-CG 4.24Å; L434-F436 HydrophobicContact CD2-CZ 3.02Å; F436-I472 CarbonylContact C-O 3.57Å; F436-I472 WeakPolarHBondContact CA-O 3.19Å; F436-A473 HydrophobicContact CD1-CB 3.92Å; F436-A473 HydrophobicContact CE1-CB 3.93Å
437	W	75.4	Confident	63.1	Low	93 Å²	93	73.6 Å²	73.6	35%	0.352	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.9	170.4	-63.8	85.8	0	0	0	110.3	L439 I446 M448 F471 I472	W437-L439 HydrophobicContact CB-CD1 4.35Å; W437-I446 HydrophobicContact CB-CD1 4.22Å; W437-I446 HydrophobicContact CD2-CD1 4.19Å; W437-I446 HydrophobicContact CD2-CG2 3.88Å; W437-I446 HydrophobicContact CE3-CD1 3.62Å; W437-I446 HydrophobicContact CE3-CG2 3.68Å; W437-I446 HydrophobicContact CG-CD1 4.46Å; W437-I446 HydrophobicContact CH2-CG2 3.98Å; W437-I446 HydrophobicContact CZ2-CG2 4.2Å; W437-I446 HydrophobicContact CZ3-CD1 4.29Å; W437-I446 HydrophobicContact CZ3-CG2 3.73Å; W437-M448 HydrophobicContact CD2-CE 4.01Å; W437-M448 HydrophobicContact CG-CE 3.75Å; W437-M448 HydrophobicContact CZ2-CB 3.85Å; W437-M448 HydrophobicContact CZ2-CE 4.38Å; W437-M448 PolarHBondContact NE1-SD 2.96Å; W437-F471 WeakPolarHBondContact O-CA 3.48Å; W437-I472 HydrophobicContact CB-CB 4.37Å; W437-I472 PolarHBondContact N-O 3.16Å; W437-I472 PolarHBondContact O-N 3.27Å
438	H	80.1	Confident	63.4	Low	30 Å²	30	72.5 Å²	72.5	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	173.2	163.6	-124.9	0	0	0	107.1	I421 D469 F471	I421-H438 HydrophobicContact CG2-CB 4.23Å; I421-H438 VanDerWaalsContact CG2-ND1 3.32Å; I421-H438 WeakPolarHBondContact CG2-ND1 2.99Å; H438-D469 IonicContact CD2-OD1 2.79Å; H438-D469 IonicContact CE1-OD1 3.14Å; H438-D469 VanDerWaalsContact NE2-CG 3.33Å; H438-D469 IonicContact NE2-OD1 3.64Å; H438-D469 PolarHBondContact NE2-OD1 2.89Å; H438-F471 HydrophobicContact CB-CD1 4.22Å; H438-F471 HydrophobicContact CB-CE1 4.09Å; H438-F471 AromaticContact CD2-CE1 3.75Å; H438-F471 AromaticContact CD2-CZ 3.84Å
439	L	74.2	Confident	64	Low	3 Å²	3	67.5 Å²	67.5	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.2	171.4	-74.9	76.1	0	0	0	108.1	W437 T443 I446 I460 T470 I472	W437-L439 HydrophobicContact CB-CD1 4.35Å; L439-T443 WeakPolarHBondContact CD2-O 3.38Å; L439-I446 HydrophobicContact CD1-CD1 3.43Å; L439-I446 VanDerWaalsContact CD1-CD1 3.43Å; L439-I446 HydrophobicContact CD1-CG1 4.24Å; L439-I446 HydrophobicContact CD2-CD1 4.36Å; L439-I446 HydrophobicContact CD2-CG1 4.35Å; L439-I446 HydrophobicContact CG-CD1 3.73Å; L439-I446 HydrophobicContact CG-CG1 4.22Å; L439-I460 HydrophobicContact CD2-CB 4.5Å; L439-I460 HydrophobicContact CD2-CD1 3.54Å; L439-I460 HydrophobicContact CD2-CG1 3.82Å; L439-T470 PolarHBondContact N-O 3.15Å; L439-T470 PolarHBondContact O-N 3.09Å; L439-I472 HydrophobicContact CD1-CD1 3.63Å; L439-I472 HydrophobicContact CD1-CG1 4.15Å
440	S	71.5	Confident	64.7	Low	37 Å²	37	65.2 Å²	65.2	26%	0.259	34%	0.341	S	S	.	.			trans	-128.1	-178.2	175	-154.6	0	0	0	0	109.2	D442 T443 D469	S440-D442 PolarHBondContact O-N 3.18Å; S440-T443 PolarHBondContact O-N 2.58Å; S440-T443 PolarHBondContact O-OG1 3.42Å; S440-D469 PolarHBondContact OG-OD1 2.74Å
441	S	64.2	Low	65.3	Low	76 Å²	76	65.5 Å²	65.5	53%	0.531	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-35.5	-172.8	51.7	0	0	0	0	115.3
442	D	57.4	Low	65.5	Low	149 Å²	149	62.8 Å²	62.8	80%	0.797	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9	-169	-51.2	-10.4	0	0	0	112.9	S440	S440-D442 PolarHBondContact O-N 3.18Å
443	T	56.5	Low	65.3	Low	64 Å²	64	55.4 Å²	55.4	39%	0.393	32%	0.317	S	S	.	.			trans	-131.7	83.3	-169.3	30.3	0	0	0	0	113.3	L439 S440	L439-T443 WeakPolarHBondContact CD2-O 3.38Å; S440-T443 PolarHBondContact O-N 2.58Å; S440-T443 PolarHBondContact O-OG1 3.42Å
444	A	62.6	Low	65.1	Low	36 Å²	36	58.3 Å²	58.3	30%	0.298	33%	0.328	S	S	.	.			trans	-82.7	-15.8	177.7	0	0	0	0	0	115.3	S459 I460 M467	A444-S459 WeakPolarHBondContact O-CA 3.36Å; A444-I460 PolarHBondContact O-N 2.93Å; A444-M467 HydrophobicContact CB-CE 4.06Å
445	N	62.4	Low	64.4	Low	103 Å²	103	62.1 Å²	62.1	55%	0.551	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.6	-174.5	-65.2	-44.1	0	0	0	111	F458 S459	N445-F458 CarbonylContact C-O 3.52Å; N445-F458 WeakPolarHBondContact CA-O 3.32Å; N445-S459 WeakPolarHBondContact OD1-CB 3.13Å; N445-S459 PolarHBondContact OD1-OG 3Å
446	I	64.8	Low	63.8	Low	17 Å²	17	57.9 Å²	57.9	9%	0.087	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.2	173.3	-58.1	-164.7	0	0	0	109.8	W437 L439 M448 K457 F458	W437-I446 HydrophobicContact CB-CD1 4.22Å; W437-I446 HydrophobicContact CD2-CD1 4.19Å; W437-I446 HydrophobicContact CD2-CG2 3.88Å; W437-I446 HydrophobicContact CE3-CD1 3.62Å; W437-I446 HydrophobicContact CE3-CG2 3.68Å; W437-I446 HydrophobicContact CG-CD1 4.46Å; W437-I446 HydrophobicContact CH2-CG2 3.98Å; W437-I446 HydrophobicContact CZ2-CG2 4.2Å; W437-I446 HydrophobicContact CZ3-CD1 4.29Å; W437-I446 HydrophobicContact CZ3-CG2 3.73Å; L439-I446 HydrophobicContact CD1-CD1 3.43Å; L439-I446 VanDerWaalsContact CD1-CD1 3.43Å; L439-I446 HydrophobicContact CD1-CG1 4.24Å; L439-I446 HydrophobicContact CD2-CD1 4.36Å; L439-I446 HydrophobicContact CD2-CG1 4.35Å; L439-I446 HydrophobicContact CG-CD1 3.73Å; L439-I446 HydrophobicContact CG-CG1 4.22Å; I446-M448 HydrophobicContact CG2-CE 3.85Å; I446-K457 WeakPolarHBondContact O-CA 3.48Å; I446-F458 PolarHBondContact N-O 3.49Å; I446-F458 PolarHBondContact O-N 2.8Å
447	T	60.9	Low	62.8	Low	92 Å²	92	61.3 Å²	61.3	56%	0.564	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	128.4	170.2	49.4	0	0	0	0	109.2	V455 I456 K457	T447-V455 HydrophobicContact CG2-CG1 4.16Å; T447-I456 WeakPolarHBondContact CA-O 2.98Å; T447-K457 HydrophobicContact CG2-CB 4.25Å; T447-K457 HydrophobicContact CG2-CD 4.35Å; T447-K457 HydrophobicContact CG2-CG 3.97Å
448	M	63	Low	62.3	Low	10 Å²	10	56.9 Å²	56.9	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.8	-179.4	66.5	-179.5	76.2	0	0	111.4	W437 I446 V455 I456 F458 V474	W437-M448 HydrophobicContact CD2-CE 4.01Å; W437-M448 HydrophobicContact CG-CE 3.75Å; W437-M448 HydrophobicContact CZ2-CB 3.85Å; W437-M448 HydrophobicContact CZ2-CE 4.38Å; W437-M448 PolarHBondContact NE1-SD 2.96Å; I446-M448 HydrophobicContact CG2-CE 3.85Å; M448-V455 CarbonylContact O-C 3.56Å; M448-V455 WeakPolarHBondContact O-CA 3.1Å; M448-I456 HydrophobicContact CG-CB 4.06Å; M448-I456 PolarHBondContact N-O 3.32Å; M448-I456 PolarHBondContact O-N 2.66Å; M448-F458 HydrophobicContact CE-CD2 3.46Å; M448-F458 VanDerWaalsContact CE-CD2 3.46Å; M448-F458 HydrophobicContact CE-CE2 3.46Å; M448-F458 VanDerWaalsContact CE-CE2 3.46Å; M448-F458 HydrophobicContact CE-CG 4.5Å; M448-F458 HydrophobicContact CG-CD2 4.4Å; M448-F458 HydrophobicContact CG-CE2 4.07Å; M448-F458 HydrophobicContact SD-CD2 4.18Å; M448-F458 HydrophobicContact SD-CE2 3.6Å; M448-V474 HydrophobicContact SD-CB 4.47Å; M448-V474 HydrophobicContact SD-CG2 3.68Å
449	N	61.2	Low	61.4	Low	90 Å²	90	56.1 Å²	56.1	48%	0.481	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.5	177.7	-63.1	-16.9	0	0	0	110.9	R435 K454	R435-N449 PolarHBondContact NH1-O 2.91Å; N449-K454 CarbonylContact C-O 3.37Å; N449-K454 WeakPolarHBondContact CA-O 3.46Å
450	S	61.9	Low	60.8	Low	15 Å²	15	56.4 Å²	56.4	11%	0.105	33%	0.334	C	S	.	.			trans	-53.7	163.3	167.2	171	0	0	0	0	111.9	Q452 G453 K454 D501	S450-Q452 PolarHBondContact O-N 3.25Å; S450-Q452 VanDerWaalsContact O-N 3.15Å; S450-Q452 PolarHBondContact OG-N 3.37Å; S450-G453 PolarHBondContact O-N 3.43Å; S450-K454 WeakPolarHBondContact CB-O 3.46Å; S450-K454 PolarHBondContact N-O 2.61Å; S450-D501 VanDerWaalsContact CA-OD2 3.29Å; S450-D501 WeakPolarHBondContact CA-OD2 3.36Å; S450-D501 VanDerWaalsContact CB-OD2 3.29Å; S450-D501 WeakPolarHBondContact CB-OD2 3.44Å; S450-D501 PolarHBondContact OG-OD2 2.84Å
451	S	59.4	Low	60.2	Low	62 Å²	62	61.8 Å²	61.8	43%	0.434	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-30.8	165	67.7	0	0	0	0	112.9	G453 D501	S451-G453 VanDerWaalsContact C-N 3.33Å; S451-G453 PolarHBondContact O-N 2.9Å; S451-D501 WeakPolarHBondContact CB-OD1 3.33Å; S451-D501 PolarHBondContact N-OD2 3.02Å; S451-D501 PolarHBondContact OG-OD1 3.09Å; S451-D501 PolarHBondContact OG-OD2 3.18Å
452	Q	55.3	Low	59.9	Low	86 Å²	86	61 Å²	61	40%	0.402	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	9.3	177.3	-57.1	-177.2	11.4	0	0	114.1	S450 K454 D499	S450-Q452 PolarHBondContact O-N 3.25Å; S450-Q452 VanDerWaalsContact O-N 3.15Å; S450-Q452 PolarHBondContact OG-N 3.37Å; Q452-K454 VanDerWaalsContact C-N 3.31Å; Q452-K454 PolarHBondContact O-N 3.5Å; Q452-D499 PolarHBondContact NE2-O 3.5Å; Q452-D499 VanDerWaalsContact NE2-O 3.08Å
453	G	52.8	Low	59.8	Low	58 Å²	58	61.1 Å²	61.1	60%	0.598	34%	0.339	S	S	*	.	S	Bend	trans	77	5.3	178.3	0	0	0	0	0	116.1	S450 S451	S450-G453 PolarHBondContact O-N 3.43Å; S451-G453 VanDerWaalsContact C-N 3.33Å; S451-G453 PolarHBondContact O-N 2.9Å
454	K	59.1	Low	59.6	Low	73 Å²	73	64.2 Å²	64.2	32%	0.317	35%	0.349	S	S	.	.			trans	-88.6	148.1	178.9	-56.4	-171.7	-178.2	-177.3	0	112.1	N449 S450 Q452 I456 S520	N449-K454 CarbonylContact C-O 3.37Å; N449-K454 WeakPolarHBondContact CA-O 3.46Å; S450-K454 WeakPolarHBondContact CB-O 3.46Å; S450-K454 PolarHBondContact N-O 2.61Å; Q452-K454 VanDerWaalsContact C-N 3.31Å; Q452-K454 PolarHBondContact O-N 3.5Å; K454-I456 PolarHBondContact O-N 2.97Å; K454-S520 PolarHBondContact NZ-OG 2.73Å
455	V	56.7	Low	59.1	Low	89 Å²	89	68.8 Å²	68.8	54%	0.539	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.6	176.9	-174.6	0	0	0	0	110.8	T447 M448	T447-V455 HydrophobicContact CG2-CG1 4.16Å; M448-V455 CarbonylContact O-C 3.56Å; M448-V455 WeakPolarHBondContact O-CA 3.1Å
456	I	59.9	Low	58.8	Low	12 Å²	12	70.4 Å²	70.4	6%	0.062	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.3	163.5	-45.5	174.2	0	0	0	107.4	T447 M448 K454 F458 V474 V517	T447-I456 WeakPolarHBondContact CA-O 2.98Å; M448-I456 HydrophobicContact CG-CB 4.06Å; M448-I456 PolarHBondContact N-O 3.32Å; M448-I456 PolarHBondContact O-N 2.66Å; K454-I456 PolarHBondContact O-N 2.97Å; I456-F458 HydrophobicContact CB-CE2 3.97Å; I456-F458 HydrophobicContact CG2-CD2 3.95Å; I456-F458 HydrophobicContact CG2-CE2 3.31Å; I456-F458 HydrophobicContact CG2-CZ 3.67Å; I456-V474 HydrophobicContact CD1-CG1 4.43Å; I456-V517 HydrophobicContact CG2-CG1 3.39Å
457	K	60.3	Low	58.4	Low	92 Å²	92	71.9 Å²	71.9	40%	0.4	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.8	174	-174.8	177	177.2	-177.2	0	109.8	I446 T447 S516 V517 D518	I446-K457 WeakPolarHBondContact O-CA 3.48Å; T447-K457 HydrophobicContact CG2-CB 4.25Å; T447-K457 HydrophobicContact CG2-CD 4.35Å; T447-K457 HydrophobicContact CG2-CG 3.97Å; K457-S516 VanDerWaalsContact O-O 3.11Å; K457-V517 WeakPolarHBondContact O-CA 3.32Å; K457-D518 HydrophobicContact CB-CB 3.97Å; K457-D518 PolarHBondContact O-N 3.38Å; K457-D518 VanDerWaalsContact O-N 3.09Å
458	F	64.2	Low	58.7	Low	1 Å²	1	70.8 Å²	70.8	0%	0.004	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.1	170.5	-66.4	-90	0	0	0	108.6	N445 I446 M448 I456 I472 V474 V503 L515 V517	N445-F458 CarbonylContact C-O 3.52Å; N445-F458 WeakPolarHBondContact CA-O 3.32Å; I446-F458 PolarHBondContact N-O 3.49Å; I446-F458 PolarHBondContact O-N 2.8Å; M448-F458 HydrophobicContact CE-CD2 3.46Å; M448-F458 VanDerWaalsContact CE-CD2 3.46Å; M448-F458 HydrophobicContact CE-CE2 3.46Å; M448-F458 VanDerWaalsContact CE-CE2 3.46Å; M448-F458 HydrophobicContact CE-CG 4.5Å; M448-F458 HydrophobicContact CG-CD2 4.4Å; M448-F458 HydrophobicContact CG-CE2 4.07Å; M448-F458 HydrophobicContact SD-CD2 4.18Å; M448-F458 HydrophobicContact SD-CE2 3.6Å; I456-F458 HydrophobicContact CB-CE2 3.97Å; I456-F458 HydrophobicContact CG2-CD2 3.95Å; I456-F458 HydrophobicContact CG2-CE2 3.31Å; I456-F458 HydrophobicContact CG2-CZ 3.67Å; F458-I472 HydrophobicContact CD1-CD1 4.39Å; F458-V474 HydrophobicContact CE2-CG2 4.42Å; F458-V474 HydrophobicContact CZ-CG2 4.21Å; F458-V503 HydrophobicContact CE1-CB 4.37Å; F458-V503 HydrophobicContact CE1-CG1 3.62Å; F458-V503 HydrophobicContact CE1-CG2 3.92Å; F458-V503 HydrophobicContact CZ-CB 4.45Å; F458-V503 HydrophobicContact CZ-CG1 3.88Å; F458-V503 HydrophobicContact CZ-CG2 3.68Å; F458-L515 HydrophobicContact CD1-CD1 4.1Å; F458-V517 HydrophobicContact CD1-CG1 4.32Å; F458-V517 HydrophobicContact CD1-CG2 3.86Å; F458-V517 HydrophobicContact CE1-CB 4.36Å; F458-V517 HydrophobicContact CE1-CG1 3.81Å; F458-V517 HydrophobicContact CE1-CG2 3.65Å; F458-V517 HydrophobicContact CZ-CG1 3.99Å
459	S	60.2	Low	59.3	Low	13 Å²	13	72.5 Å²	72.5	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.7	168.1	-70	0	0	0	0	108.4	A444 N445 S516	A444-S459 WeakPolarHBondContact O-CA 3.36Å; N445-S459 WeakPolarHBondContact OD1-CB 3.13Å; N445-S459 PolarHBondContact OD1-OG 3Å; S459-S516 WeakPolarHBondContact CB-OG 3.24Å; S459-S516 PolarHBondContact N-O 2.86Å; S459-S516 VanDerWaalsContact N-O 3.15Å; S459-S516 PolarHBondContact O-N 3.1Å; S459-S516 PolarHBondContact O-OG 2.91Å
460	I	62.7	Low	60.1	Low	10 Å²	10	68.8 Å²	68.8	5%	0.051	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.7	170.2	-62	-170.2	0	0	0	107.6	L439 A444 P462 M467 T470 F513 L515	L439-I460 HydrophobicContact CD2-CB 4.5Å; L439-I460 HydrophobicContact CD2-CD1 3.54Å; L439-I460 HydrophobicContact CD2-CG1 3.82Å; A444-I460 PolarHBondContact O-N 2.93Å; I460-P462 WeakPolarHBondContact O-CD 3.08Å; I460-M467 HydrophobicContact CB-CE 4.06Å; I460-M467 HydrophobicContact CG2-CE 3.86Å; I460-T470 HydrophobicContact CD1-CG2 4.07Å; I460-F513 HydrophobicContact CG2-CB 4.16Å; I460-L515 HydrophobicContact CD1-CD1 4.34Å; I460-L515 HydrophobicContact CG1-CD1 3.81Å
461	K	59.4	Low	61.1	Low	150 Å²	150	68.2 Å²	68.2	65%	0.652	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	102.5	164.8	-70	-176	179.9	178.2	0	108.7	T514	K461-T514 PolarHBondContact N-O 3.16Å; K461-T514 VanDerWaalsContact N-O 3.11Å; K461-T514 PolarHBondContact O-N 2.97Å; K461-T514 VanDerWaalsContact O-N 3.12Å
462	P	57.6	Low	62.1	Low	59 Å²	59	65.3 Å²	65.3	38%	0.383	34%	0.344	S	S	.	.			trans	-70.9	139.4	170.4	32.3	-33.7	0	0	0	108.6	I460 Q464 M467	I460-P462 WeakPolarHBondContact O-CD 3.08Å; P462-Q464 VanDerWaalsContact C-N 3.28Å; P462-M467 HydrophobicContact CB-CG 4.48Å; P462-M467 HydrophobicContact CG-CE 4.22Å; P462-M467 HydrophobicContact CG-CG 4.3Å
463	K	54.3	Low	63.3	Low	151 Å²	151	61.2 Å²	61.2	66%	0.657	33%	0.325	S	S	*	.	S	Bend	trans	-74.5	-17.8	174.9	-87.8	-166.3	-164.7	160.6	0	113.6	S512	K463-S512 VanDerWaalsContact CD-OG 3.27Å; K463-S512 WeakPolarHBondContact CD-OG 3.48Å; K463-S512 WeakPolarHBondContact CE-OG 3.48Å; K463-S512 WeakPolarHBondContact CG-O 3.4Å; K463-S512 PolarHBondContact NZ-OG 3.08Å
464	Q	52.4	Low	64.4	Low	129 Å²	129	59 Å²	59	60%	0.603	30%	0.299	S	S	*	.	S	Bend	trans	-140.9	159.6	-175.1	-74.6	175.6	-29.2	0	0	110.2	P462 E466	P462-Q464 VanDerWaalsContact C-N 3.28Å; Q464-E466 PolarHBondContact O-N 2.75Å
465	S	53.2	Low	65.1	Low	133 Å²	133	55.5 Å²	55.5	93%	0.93	28%	0.284	S	S	*	.	S	Bend	trans	-71.5	5.9	-164.9	-45.5	0	0	0	0	116.4
466	E	55.9	Low	65.9	Low	137 Å²	137	52 Å²	52	64%	0.64	26%	0.263	S	S	*	.			trans	-107.8	100.4	178.7	-68.1	-178.1	-168.2	0	0	109.7	Q464	Q464-E466 PolarHBondContact O-N 2.75Å
467	M	55.3	Low	66.2	Low	47 Å²	47	52 Å²	52	23%	0.232	27%	0.266	C	S	.	.			trans	-84.7	130.8	167.3	-112.4	-178.5	173	0	0	109.3	A444 I460 P462	A444-M467 HydrophobicContact CB-CE 4.06Å; I460-M467 HydrophobicContact CB-CE 4.06Å; I460-M467 HydrophobicContact CG2-CE 3.86Å; P462-M467 HydrophobicContact CB-CG 4.48Å; P462-M467 HydrophobicContact CG-CE 4.22Å; P462-M467 HydrophobicContact CG-CG 4.3Å
468	H	67.6	Low	66.4	Low	69 Å²	69	52 Å²	52	32%	0.319	28%	0.282	S	S	.	.			trans	-112.1	153.3	171.4	-56.1	-64.7	0	0	0	110.7	T470 N509	H468-T470 PolarHBondContact O-N 3.43Å; H468-T470 PolarHBondContact O-OG1 2.6Å; H468-T470 VanDerWaalsContact O-OG1 3.06Å; H468-N509 PolarHBondContact CD2-ND2 2.96Å; H468-N509 VanDerWaalsContact CD2-ND2 3.26Å; H468-N509 PolarHBondContact NE2-ND2 3Å
469	D	76	Confident	66.4	Low	46 Å²	46	52.9 Å²	52.9	25%	0.246	29%	0.287	C	S	.	.			trans	-55	112.6	-176.9	-67.9	-39.5	0	0	0	112	R415 H438 S440 F471	R415-D469 HydrophobicContact CG-CB 4.47Å; H438-D469 IonicContact CD2-OD1 2.79Å; H438-D469 IonicContact CE1-OD1 3.14Å; H438-D469 VanDerWaalsContact NE2-CG 3.33Å; H438-D469 IonicContact NE2-OD1 3.64Å; H438-D469 PolarHBondContact NE2-OD1 2.89Å; S440-D469 PolarHBondContact OG-OD1 2.74Å; D469-F471 HydrophobicContact CB-CE2 3.85Å; D469-F471 HydrophobicContact CB-CZ 4.21Å
470	T	78.7	Confident	66.7	Low	12 Å²	12	52.3 Å²	52.3	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.7	-179	-61.7	0	0	0	0	108.7	L439 I460 H468 I472 V505 D506 T507	L439-T470 PolarHBondContact N-O 3.15Å; L439-T470 PolarHBondContact O-N 3.09Å; I460-T470 HydrophobicContact CD1-CG2 4.07Å; H468-T470 PolarHBondContact O-N 3.43Å; H468-T470 PolarHBondContact O-OG1 2.6Å; H468-T470 VanDerWaalsContact O-OG1 3.06Å; T470-I472 HydrophobicContact CG2-CG1 4.42Å; T470-V505 HydrophobicContact CG2-CG1 3.68Å; T470-D506 WeakPolarHBondContact CA-O 3.46Å; T470-T507 PolarHBondContact OG1-OG1 3.2Å
471	F	83.1	Confident	66.3	Low	4 Å²	4	55.8 Å²	55.8	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.6	-178.9	-63.3	-89	0	0	0	109.5	A411 A414 R415 I421 L424 W437 H438 D469 V505 D506	A411-F471 HydrophobicContact CB-CB 4.15Å; A411-F471 HydrophobicContact CB-CD2 3.61Å; A411-F471 HydrophobicContact CB-CE2 4.24Å; A411-F471 HydrophobicContact CB-CG 3.94Å; A414-F471 HydrophobicContact CB-CE1 3.7Å; A414-F471 HydrophobicContact CB-CZ 3.67Å; R415-F471 HydrophobicContact CG-CE2 3.85Å; R415-F471 HydrophobicContact CG-CZ 4.38Å; I421-F471 HydrophobicContact CG1-CE1 4.39Å; I421-F471 HydrophobicContact CG1-CZ 4.47Å; L424-F471 HydrophobicContact CD1-CD1 3.96Å; L424-F471 HydrophobicContact CD1-CE1 4.07Å; W437-F471 WeakPolarHBondContact O-CA 3.48Å; H438-F471 HydrophobicContact CB-CD1 4.22Å; H438-F471 HydrophobicContact CB-CE1 4.09Å; H438-F471 AromaticContact CD2-CE1 3.75Å; H438-F471 AromaticContact CD2-CZ 3.84Å; D469-F471 HydrophobicContact CB-CE2 3.85Å; D469-F471 HydrophobicContact CB-CZ 4.21Å; F471-V505 CarbonylContact O-C 3.42Å; F471-V505 WeakPolarHBondContact O-CA 3.36Å; F471-D506 PolarHBondContact N-O 2.95Å; F471-D506 PolarHBondContact O-N 2.79Å
472	I	79.5	Confident	65.9	Low	1 Å²	1	50 Å²	50	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	-178.8	-55.1	-177.5	0	0	0	108.4	F436 W437 L439 F458 T470 V474 V503 L504 V505	F436-I472 CarbonylContact C-O 3.57Å; F436-I472 WeakPolarHBondContact CA-O 3.19Å; W437-I472 HydrophobicContact CB-CB 4.37Å; W437-I472 PolarHBondContact N-O 3.16Å; W437-I472 PolarHBondContact O-N 3.27Å; L439-I472 HydrophobicContact CD1-CD1 3.63Å; L439-I472 HydrophobicContact CD1-CG1 4.15Å; F458-I472 HydrophobicContact CD1-CD1 4.39Å; T470-I472 HydrophobicContact CG2-CG1 4.42Å; I472-V474 HydrophobicContact CG2-CG2 4.25Å; I472-V503 HydrophobicContact CG2-CG1 3.62Å; I472-L504 CarbonylContact C-O 3.47Å; I472-L504 WeakPolarHBondContact CA-O 3.36Å; I472-V505 HydrophobicContact CG1-CG1 4.31Å; I472-V505 HydrophobicContact CG1-CG2 4.28Å; I472-V505 HydrophobicContact CG2-CG2 4.41Å
473	A	80.3	Confident	65.5	Low	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	169	0	0	0	0	0	110	M364 L407 L434 R435 F436 L504	M364-A473 HydrophobicContact CE-CB 4.19Å; L407-A473 HydrophobicContact CD1-CB 4.02Å; L407-A473 HydrophobicContact CD2-CB 4.06Å; L434-A473 HydrophobicContact CD2-CB 4.33Å; R435-A473 WeakPolarHBondContact O-CA 3.38Å; F436-A473 HydrophobicContact CD1-CB 3.92Å; F436-A473 HydrophobicContact CE1-CB 3.93Å; A473-L504 HydrophobicContact CB-CB 4.36Å; A473-L504 PolarHBondContact N-O 3.43Å; A473-L504 PolarHBondContact O-N 3.29Å
474	V	75.3	Confident	65	Low	10 Å²	10	41 Å²	41	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.2	176.7	-178.8	0	0	0	0	109.2	R435 M448 I456 F458 I472 D501 V503	R435-V474 PolarHBondContact N-O 3.09Å; R435-V474 PolarHBondContact O-N 3.1Å; M448-V474 HydrophobicContact SD-CB 4.47Å; M448-V474 HydrophobicContact SD-CG2 3.68Å; I456-V474 HydrophobicContact CD1-CG1 4.43Å; F458-V474 HydrophobicContact CE2-CG2 4.42Å; F458-V474 HydrophobicContact CZ-CG2 4.21Å; I472-V474 HydrophobicContact CG2-CG2 4.25Å; V474-D501 HydrophobicContact CG1-CB 3.73Å; V474-V503 HydrophobicContact CG2-CG1 4.49Å; V474-V503 HydrophobicContact CG2-CG2 4.5Å
475	I	75.5	Confident	64.4	Low	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.6	-176	-51	166.6	0	0	0	108.8	L368 V403 L434 N479 F480 D501 V502 L504	L368-I475 HydrophobicContact CD1-CD1 4.5Å; L368-I475 HydrophobicContact CD1-CG1 4.43Å; L368-I475 HydrophobicContact CD1-CG2 4.08Å; L368-I475 HydrophobicContact CD2-CD1 4.45Å; L368-I475 HydrophobicContact CD2-CG2 3.74Å; V403-I475 HydrophobicContact CG1-CD1 3.62Å; L434-I475 HydrophobicContact CD1-CG1 3.78Å; I475-N479 HydrophobicContact CG2-CB 4.1Å; I475-F480 HydrophobicContact CB-CE2 3.85Å; I475-F480 HydrophobicContact CD1-CE2 3.9Å; I475-F480 HydrophobicContact CD1-CZ 3.93Å; I475-F480 HydrophobicContact CG2-CD2 4.13Å; I475-F480 HydrophobicContact CG2-CE2 3.43Å; I475-F480 VanDerWaalsContact CG2-CE2 3.43Å; I475-F480 HydrophobicContact CG2-CZ 4.06Å; I475-D501 CarbonylContact O-C 3.52Å; I475-D501 WeakPolarHBondContact O-CA 3.44Å; I475-D501 WeakPolarHBondContact O-CB 3.4Å; I475-V502 PolarHBondContact N-O 3.04Å; I475-V502 PolarHBondContact O-N 2.97Å; I475-L504 HydrophobicContact CD1-CD1 3.63Å; I475-L504 HydrophobicContact CD1-CG 4.13Å
476	P	72.2	Confident	63.8	Low	16 Å²	16	36.4 Å²	36.4	10%	0.104	22%	0.215	C	C	.	.			trans	-57.4	141.7	177.9	-25.3	35	0	0	0	113.7	S433 A478 N479 D501	S433-P476 WeakPolarHBondContact O-CD 3.48Å; P476-A478 PolarHBondContact O-N 2.88Å; P476-A478 VanDerWaalsContact O-N 3.09Å; P476-N479 PolarHBondContact O-N 3.27Å; P476-N479 VanDerWaalsContact O-N 3.12Å; P476-D501 VanDerWaalsContact CA-OD1 3.32Å; P476-D501 WeakPolarHBondContact CA-OD1 3.2Å
477	A	65.9	Low	62.9	Low	13 Å²	13	32.2 Å²	32.2	11%	0.107	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-52.2	-34.2	173.9	0	0	0	0	0	112.6	N479 F480 S500 D501	A477-N479 PolarHBondContact O-N 3.05Å; A477-F480 PolarHBondContact O-N 3.22Å; A477-S500 WeakPolarHBondContact CB-O 3.36Å; A477-D501 PolarHBondContact N-OD1 3.12Å
478	A	64.8	Low	61.9	Low	91 Å²	91	35.1 Å²	35.1	75%	0.752	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-60.6	-25.6	-178.5	0	0	0	0	0	114.4	P476 F480	P476-A478 PolarHBondContact O-N 2.88Å; P476-A478 VanDerWaalsContact O-N 3.09Å; A478-F480 PolarHBondContact O-N 3.4Å
479	N	65.5	Low	60.3	Low	20 Å²	20	39.4 Å²	39.4	11%	0.107	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-72.7	-9.7	177	-69.3	81.7	0	0	0	113	L368 K399 I475 P476 A477 P481	L368-N479 HydrophobicContact CD2-CB 4.21Å; L368-N479 PolarHBondContact O-ND2 3.44Å; K399-N479 WeakPolarHBondContact CE-O 3.19Å; K399-N479 PolarHBondContact NZ-O 3.28Å; I475-N479 HydrophobicContact CG2-CB 4.1Å; P476-N479 PolarHBondContact O-N 3.27Å; P476-N479 VanDerWaalsContact O-N 3.12Å; A477-N479 PolarHBondContact O-N 3.05Å; N479-P481 VanDerWaalsContact C-CD 3.47Å
480	F	66	Low	58.3	Low	1 Å²	1	43.1 Å²	43.1	0%	0.004	26%	0.257	C	S	.	.			trans	-129.8	56.3	-166.5	-70.2	-55	0	0	0	114	L368 T396 K399 L400 I475 A477 A478 G482 V483 L498 V502	L368-F480 HydrophobicContact CD2-CE1 4.2Å; L368-F480 HydrophobicContact CD2-CE2 4.45Å; L368-F480 HydrophobicContact CD2-CZ 3.84Å; T396-F480 HydrophobicContact CG2-CB 4.05Å; T396-F480 HydrophobicContact CG2-CD1 3.85Å; T396-F480 HydrophobicContact CG2-CG 4.45Å; K399-F480 HydrophobicContact CB-CE1 4.49Å; K399-F480 HydrophobicContact CD-CD1 4.37Å; K399-F480 HydrophobicContact CD-CE1 4.29Å; K399-F480 HydrophobicContact CG-CE1 4.05Å; L400-F480 HydrophobicContact CB-CE1 3.96Å; L400-F480 HydrophobicContact CB-CZ 4.24Å; L400-F480 HydrophobicContact CD1-CE1 4.29Å; L400-F480 HydrophobicContact CD1-CE2 4.29Å; L400-F480 HydrophobicContact CD1-CZ 3.7Å; I475-F480 HydrophobicContact CB-CE2 3.85Å; I475-F480 HydrophobicContact CD1-CE2 3.9Å; I475-F480 HydrophobicContact CD1-CZ 3.93Å; I475-F480 HydrophobicContact CG2-CD2 4.13Å; I475-F480 HydrophobicContact CG2-CE2 3.43Å; I475-F480 VanDerWaalsContact CG2-CE2 3.43Å; I475-F480 HydrophobicContact CG2-CZ 4.06Å; A477-F480 PolarHBondContact O-N 3.22Å; A478-F480 PolarHBondContact O-N 3.4Å; F480-G482 PolarHBondContact O-N 2.81Å; F480-V483 HydrophobicContact CB-CG2 3.69Å; F480-V483 HydrophobicContact CD1-CG2 4.28Å; F480-V483 HydrophobicContact CG-CG2 4.2Å; F480-L498 HydrophobicContact CB-CD2 3.53Å; F480-L498 HydrophobicContact CD2-CD2 4.19Å; F480-L498 HydrophobicContact CG-CD2 4.21Å; F480-V502 HydrophobicContact CD2-CB 4.3Å; F480-V502 HydrophobicContact CD2-CG2 3.61Å; F480-V502 HydrophobicContact CE2-CB 3.95Å; F480-V502 HydrophobicContact CE2-CG2 3.73Å
481	P	53.1	Low	56.1	Low	83 Å²	83	52.3 Å²	52.3	54%	0.539	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	122.2	173.5	27.6	-33.9	0	0	0	110.6	T396 N479	T396-P481 PolarHBondContact OG1-O 2.59Å; T396-P481 VanDerWaalsContact OG1-O 3.08Å; N479-P481 VanDerWaalsContact C-CD 3.47Å
482	G	51.6	Low	53.6	Low	29 Å²	29	59.8 Å²	59.8	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	22.1	168.1	0	0	0	0	0	117.7	F480 L484 T485	F480-G482 PolarHBondContact O-N 2.81Å; G482-L484 PolarHBondContact O-N 3.01Å; G482-T485 PolarHBondContact O-N 3.16Å; G482-T485 PolarHBondContact O-OG1 2.03Å
483	V	49.7	Very low	51.3	Low	14 Å²	14	66.6 Å²	66.6	9%	0.085	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-35.6	178	173.5	0	0	0	0	113.6	T396 F480 L498 W542	T396-V483 HydrophobicContact CG2-CB 4.45Å; T396-V483 HydrophobicContact CG2-CG2 3.43Å; T396-V483 VanDerWaalsContact CG2-CG2 3.43Å; F480-V483 HydrophobicContact CB-CG2 3.69Å; F480-V483 HydrophobicContact CD1-CG2 4.28Å; F480-V483 HydrophobicContact CG-CG2 4.2Å; V483-L498 HydrophobicContact CB-CD2 4.46Å; V483-L498 HydrophobicContact CG2-CD2 3.89Å; V483-W542 HydrophobicContact CG1-CZ2 4.01Å
484	L	43.6	Very low	49.3	Very low	7 Å²	7	67.8 Å²	67.8	4%	0.037	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.7	-165.8	-59.8	139.7	0	0	0	113.6	G482 Q486 L487 P496 S497 L498 W542 V573	G482-L484 PolarHBondContact O-N 3.01Å; L484-Q486 PolarHBondContact O-N 3.01Å; L484-L487 PolarHBondContact O-N 2.84Å; L484-P496 HydrophobicContact CB-CB 3.57Å; L484-P496 HydrophobicContact CB-CG 3.76Å; L484-P496 WeakPolarHBondContact CB-O 3.47Å; L484-P496 HydrophobicContact CD1-CB 4.44Å; L484-P496 HydrophobicContact CG-CB 4.45Å; L484-P496 WeakPolarHBondContact O-CD 2.99Å; L484-P496 VanDerWaalsContact O-CG 3.26Å; L484-P496 WeakPolarHBondContact O-CG 3.35Å; L484-S497 VanDerWaalsContact CD1-O 3.32Å; L484-S497 WeakPolarHBondContact CD1-O 3.11Å; L484-L498 HydrophobicContact CD1-CB 4.14Å; L484-W542 HydrophobicContact CD2-CG 4.3Å; L484-V573 HydrophobicContact CD1-CB 4.33Å; L484-V573 HydrophobicContact CD1-CG1 3.98Å; L484-V573 HydrophobicContact CD1-CG2 3.86Å; L484-V573 HydrophobicContact CD2-CB 4.34Å; L484-V573 HydrophobicContact CD2-CG1 3.89Å; L484-V573 HydrophobicContact CD2-CG2 3.5Å; L484-V573 HydrophobicContact CG-CG1 4.47Å; L484-V573 HydrophobicContact CG-CG2 4.31Å
485	T	40	Very low	47.5	Very low	72 Å²	72	71.7 Å²	71.7	44%	0.442	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.3	-178.8	51	0	0	0	0	113.8	G482 T495	G482-T485 PolarHBondContact O-N 3.16Å; G482-T485 PolarHBondContact O-OG1 2.03Å; T485-T495 HydrophobicContact CG2-CG2 4.29Å
486	Q	39.6	Very low	46	Very low	93 Å²	93	71.9 Å²	71.9	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	34.9	177.9	-68.6	-127.6	-76.5	0	0	113.9	S393 L484 D488	S393-Q486 PolarHBondContact O-OE1 2.8Å; S393-Q486 PolarHBondContact OG-OE1 3.31Å; L484-Q486 PolarHBondContact O-N 3.01Å; Q486-D488 WeakPolarHBondContact CA-OD2 3.27Å; Q486-D488 PolarHBondContact NE2-OD2 3.12Å; Q486-D488 PolarHBondContact O-N 2.81Å
487	L	38.5	Very low	44.7	Very low	48 Å²	48	72.7 Å²	72.7	25%	0.251	41%	0.408	S	S	.	.			trans	-73.9	45.4	163.6	-150.8	77.4	0	0	0	111.5	L484 N489 I490 W575	L484-L487 PolarHBondContact O-N 2.84Å; L487-N489 PolarHBondContact O-N 3.46Å; L487-I490 HydrophobicContact CD2-CD1 3.68Å; L487-I490 HydrophobicContact CD2-CG1 4.16Å; L487-I490 HydrophobicContact CG-CD1 4.41Å; L487-I490 HydrophobicContact CG-CG1 4.46Å; L487-I490 PolarHBondContact O-N 3.15Å; L487-W575 HydrophobicContact CD2-CH2 3.72Å; L487-W575 HydrophobicContact CD2-CZ2 4.43Å
488	D	33.9	Very low	43.9	Very low	109 Å²	109	72.8 Å²	72.8	58%	0.583	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	7.8	-157.9	-86.9	-41.5	0	0	0	115.8	Q486	Q486-D488 WeakPolarHBondContact CA-OD2 3.27Å; Q486-D488 PolarHBondContact NE2-OD2 3.12Å; Q486-D488 PolarHBondContact O-N 2.81Å
489	N	34.1	Very low	43.3	Very low	159 Å²	159	70.4 Å²	70.4	85%	0.85	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-2.7	175.9	-76.6	-62.1	0	0	0	114.6	L487 K491	L487-N489 PolarHBondContact O-N 3.46Å; N489-K491 PolarHBondContact O-N 3.05Å
490	I	34.1	Very low	42.9	Very low	124 Å²	124	70.2 Å²	70.2	64%	0.636	38%	0.382	S	S	*	.	S	Bend	trans	-91.8	103.5	168	-55.5	-168.7	0	0	0	109	L487 K492	L487-I490 HydrophobicContact CD2-CD1 3.68Å; L487-I490 HydrophobicContact CD2-CG1 4.16Å; L487-I490 HydrophobicContact CG-CD1 4.41Å; L487-I490 HydrophobicContact CG-CG1 4.46Å; L487-I490 PolarHBondContact O-N 3.15Å; I490-K492 VanDerWaalsContact C-N 3.29Å; I490-K492 PolarHBondContact O-N 2.85Å
491	K	32.3	Very low	42.8	Very low	204 Å²	204	70.7 Å²	70.7	89%	0.887	38%	0.384	S	S	*	.			trans	-64.2	79.1	175.7	-70.8	179.3	175.8	177.8	0	112.4	N489	N489-K491 PolarHBondContact O-N 3.05Å
492	K	30.4	Very low	43.8	Very low	161 Å²	161	66.8 Å²	66.8	70%	0.7	36%	0.359	S	S	*	.	S	Bend	trans	-173.3	123.5	148.4	-108.2	167.8	-178.1	-175.6	0	111.4	I490 T494	I490-K492 VanDerWaalsContact C-N 3.29Å; I490-K492 PolarHBondContact O-N 2.85Å; K492-T494 PolarHBondContact O-N 3.11Å
493	V	31.9	Very low	45	Very low	144 Å²	144	65.7 Å²	65.7	87%	0.873	35%	0.346	S	S	*	.			trans	-36.3	109	177	-177.7	0	0	0	0	114.2
494	T	38.1	Very low	46.4	Very low	26 Å²	26	65.1 Å²	65.1	16%	0.16	34%	0.343	C	S	.	.			trans	-160.6	132.9	152.1	-43.1	0	0	0	0	107.3	K492 P496 W575 L576 G577	K492-T494 PolarHBondContact O-N 3.11Å; T494-P496 WeakPolarHBondContact O-CD 3.14Å; T494-W575 HydrophobicContact CG2-CB 4.28Å; T494-W575 HydrophobicContact CG2-CE3 4.07Å; T494-L576 VanDerWaalsContact CG2-O 3.3Å; T494-L576 WeakPolarHBondContact CG2-O 3.5Å; T494-G577 VanDerWaalsContact CG2-O 3.26Å; T494-G577 WeakPolarHBondContact CG2-O 3.49Å; T494-G577 PolarHBondContact OG1-O 3.28Å; T494-G577 VanDerWaalsContact OG1-O 3.11Å
495	T	36.3	Very low	48.1	Very low	91 Å²	91	64.8 Å²	64.8	56%	0.558	34%	0.341	S	S	*	.			trans	-78.2	107.4	163.6	41.4	0	0	0	0	107.8	T485	T485-T495 HydrophobicContact CG2-CG2 4.29Å
496	P	45.4	Very low	50.2	Low	5 Å²	5	61.3 Å²	61.3	3%	0.032	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.8	172.8	10.8	9.9	0	0	0	106.8	L484 T494 V573 W575	L484-P496 HydrophobicContact CB-CB 3.57Å; L484-P496 HydrophobicContact CB-CG 3.76Å; L484-P496 WeakPolarHBondContact CB-O 3.47Å; L484-P496 HydrophobicContact CD1-CB 4.44Å; L484-P496 HydrophobicContact CG-CB 4.45Å; L484-P496 WeakPolarHBondContact O-CD 2.99Å; L484-P496 VanDerWaalsContact O-CG 3.26Å; L484-P496 WeakPolarHBondContact O-CG 3.35Å; T494-P496 WeakPolarHBondContact O-CD 3.14Å; P496-V573 HydrophobicContact CB-CG1 4.15Å; P496-W575 HydrophobicContact CB-CD2 4.21Å; P496-W575 HydrophobicContact CB-CE3 3.89Å; P496-W575 HydrophobicContact CB-CH2 4.28Å; P496-W575 HydrophobicContact CB-CZ3 3.94Å; P496-W575 HydrophobicContact CG-CE3 3.99Å; P496-W575 HydrophobicContact CG-CH2 3.96Å; P496-W575 HydrophobicContact CG-CZ3 3.57Å
497	S	44.3	Very low	52.1	Low	33 Å²	33	57.2 Å²	57.2	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	166.8	-177.9	-177.3	0	0	0	0	109.3	L484 Y574	L484-S497 VanDerWaalsContact CD1-O 3.32Å; L484-S497 WeakPolarHBondContact CD1-O 3.11Å; S497-Y574 VanDerWaalsContact C-CD1 3.47Å; S497-Y574 VanDerWaalsContact CB-CE1 3.5Å; S497-Y574 VanDerWaalsContact CB-CZ 3.45Å; S497-Y574 WeakPolarHBondContact CB-OH 3.4Å; S497-Y574 PolarHBondContact N-O 2.89Å; S497-Y574 WeakPolarHBondContact O-CD1 3.36Å; S497-Y574 WeakPolarHBondContact O-CE1 3.48Å; S497-Y574 PolarHBondContact O-N 2.91Å; S497-Y574 PolarHBondContact OG-OH 3.34Å; S497-Y574 VanDerWaalsContact OG-OH 3.09Å
498	L	49.9	Very low	53.7	Low	15 Å²	15	57.8 Å²	57.8	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	-176.5	-176.2	71.6	0	0	0	108.5	F480 V483 L484 V502 A571	F480-L498 HydrophobicContact CB-CD2 3.53Å; F480-L498 HydrophobicContact CD2-CD2 4.19Å; F480-L498 HydrophobicContact CG-CD2 4.21Å; V483-L498 HydrophobicContact CB-CD2 4.46Å; V483-L498 HydrophobicContact CG2-CD2 3.89Å; L484-L498 HydrophobicContact CD1-CB 4.14Å; L498-V502 HydrophobicContact CD1-CG2 4.16Å; L498-V502 HydrophobicContact CD2-CG2 3.57Å; L498-V502 HydrophobicContact CG-CG2 4.35Å; L498-A571 HydrophobicContact CD1-CB 3.77Å
499	D	51.4	Low	55.1	Low	40 Å²	40	55.9 Å²	55.9	21%	0.214	29%	0.294	C	S	.	.			trans	-129	-8.5	-175.7	177.9	64.3	0	0	0	112.3	Q452 K522 Y574	Q452-D499 PolarHBondContact NE2-O 3.5Å; Q452-D499 VanDerWaalsContact NE2-O 3.08Å; D499-K522 IonicContact OD1-NZ 3.54Å; D499-K522 PolarHBondContact OD1-NZ 3.23Å; D499-K522 VanDerWaalsContact OD2-CD 3.31Å; D499-K522 WeakPolarHBondContact OD2-CD 3.43Å; D499-K522 WeakPolarHBondContact OD2-CE 3.36Å; D499-K522 IonicContact OD2-NZ 2.73Å; D499-K522 PolarHBondContact OD2-NZ 3.19Å; D499-Y574 HydrophobicContact CB-CD1 3.62Å; D499-Y574 HydrophobicContact CB-CE1 3.14Å
500	S	56.4	Low	56	Low	17 Å²	17	50.1 Å²	50.1	12%	0.119	27%	0.272	C	S	.	.	S	Bend	trans	-91.8	150	164.6	66.6	0	0	0	0	111.1	A477 L572	A477-S500 WeakPolarHBondContact CB-O 3.36Å; S500-L572 WeakPolarHBondContact OG-CB 3.47Å; S500-L572 PolarHBondContact OG-N 2.69Å
501	D	65.4	Low	56.8	Low	10 Å²	10	47.7 Å²	47.7	5%	0.053	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-55.4	139	162.3	-56.1	-30.9	0	0	0	109.7	S450 S451 V474 I475 P476 A477	S450-D501 VanDerWaalsContact CA-OD2 3.29Å; S450-D501 WeakPolarHBondContact CA-OD2 3.36Å; S450-D501 VanDerWaalsContact CB-OD2 3.29Å; S450-D501 WeakPolarHBondContact CB-OD2 3.44Å; S450-D501 PolarHBondContact OG-OD2 2.84Å; S451-D501 WeakPolarHBondContact CB-OD1 3.33Å; S451-D501 PolarHBondContact N-OD2 3.02Å; S451-D501 PolarHBondContact OG-OD1 3.09Å; S451-D501 PolarHBondContact OG-OD2 3.18Å; V474-D501 HydrophobicContact CG1-CB 3.73Å; I475-D501 CarbonylContact O-C 3.52Å; I475-D501 WeakPolarHBondContact O-CA 3.44Å; I475-D501 WeakPolarHBondContact O-CB 3.4Å; P476-D501 VanDerWaalsContact CA-OD1 3.32Å; P476-D501 WeakPolarHBondContact CA-OD1 3.2Å; A477-D501 PolarHBondContact N-OD1 3.12Å
502	V	73.5	Confident	57.7	Low	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.5	177.1	-178.3	0	0	0	0	108.5	L400 I475 F480 L498 A569 A571	L400-V502 HydrophobicContact CD1-CG1 3.95Å; I475-V502 PolarHBondContact N-O 3.04Å; I475-V502 PolarHBondContact O-N 2.97Å; F480-V502 HydrophobicContact CD2-CB 4.3Å; F480-V502 HydrophobicContact CD2-CG2 3.61Å; F480-V502 HydrophobicContact CE2-CB 3.95Å; F480-V502 HydrophobicContact CE2-CG2 3.73Å; L498-V502 HydrophobicContact CD1-CG2 4.16Å; L498-V502 HydrophobicContact CD2-CG2 3.57Å; L498-V502 HydrophobicContact CG-CG2 4.35Å; V502-A569 HydrophobicContact CG1-CB 4.25Å; V502-A571 HydrophobicContact CG2-CB 4.45Å
503	V	75.7	Confident	58.9	Low	7 Å²	7	32.8 Å²	32.8	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.8	176.2	-171.4	0	0	0	0	108.3	F458 I472 V474 V505 A569 I570	F458-V503 HydrophobicContact CE1-CB 4.37Å; F458-V503 HydrophobicContact CE1-CG1 3.62Å; F458-V503 HydrophobicContact CE1-CG2 3.92Å; F458-V503 HydrophobicContact CZ-CB 4.45Å; F458-V503 HydrophobicContact CZ-CG1 3.88Å; F458-V503 HydrophobicContact CZ-CG2 3.68Å; I472-V503 HydrophobicContact CG2-CG1 3.62Å; V474-V503 HydrophobicContact CG2-CG1 4.49Å; V474-V503 HydrophobicContact CG2-CG2 4.5Å; V503-V505 HydrophobicContact CG1-CG2 3.78Å; V503-A569 CarbonylContact O-C 3.58Å; V503-A569 WeakPolarHBondContact O-CA 3.29Å; V503-I570 PolarHBondContact N-O 2.99Å; V503-I570 PolarHBondContact O-N 3.46Å
504	L	79.8	Confident	60.1	Low	1 Å²	1	27.6 Å²	27.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.3	163.6	-68.1	171.8	0	0	0	109	M364 L400 V403 L407 I472 A473 I475 A569	M364-L504 HydrophobicContact CE-CD1 4.42Å; L400-L504 HydrophobicContact CD1-CD2 4.05Å; V403-L504 HydrophobicContact CG1-CD1 3.75Å; L407-L504 HydrophobicContact CD2-CB 3.46Å; L407-L504 VanDerWaalsContact CD2-CB 3.46Å; L407-L504 HydrophobicContact CD2-CD1 4.31Å; I472-L504 CarbonylContact C-O 3.47Å; I472-L504 WeakPolarHBondContact CA-O 3.36Å; A473-L504 HydrophobicContact CB-CB 4.36Å; A473-L504 PolarHBondContact N-O 3.43Å; A473-L504 PolarHBondContact O-N 3.29Å; I475-L504 HydrophobicContact CD1-CD1 3.63Å; I475-L504 HydrophobicContact CD1-CG 4.13Å; L504-A569 HydrophobicContact CD2-CB 3.64Å
505	V	79.2	Confident	61.2	Low	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	176.4	-176.1	0	0	0	0	108.6	T470 F471 I472 V503 L515 T567 F568	T470-V505 HydrophobicContact CG2-CG1 3.68Å; F471-V505 CarbonylContact O-C 3.42Å; F471-V505 WeakPolarHBondContact O-CA 3.36Å; I472-V505 HydrophobicContact CG1-CG1 4.31Å; I472-V505 HydrophobicContact CG1-CG2 4.28Å; I472-V505 HydrophobicContact CG2-CG2 4.41Å; V503-V505 HydrophobicContact CG1-CG2 3.78Å; V505-L515 HydrophobicContact CG2-CD2 4.19Å; V505-T567 CarbonylContact O-C 3.52Å; V505-T567 WeakPolarHBondContact O-CA 3.32Å; V505-F568 HydrophobicContact CB-CD2 4.18Å; V505-F568 HydrophobicContact CB-CE1 4.12Å; V505-F568 HydrophobicContact CB-CE2 3.56Å; V505-F568 HydrophobicContact CB-CZ 3.5Å; V505-F568 HydrophobicContact CG1-CE1 4.08Å; V505-F568 HydrophobicContact CG1-CE2 3.99Å; V505-F568 HydrophobicContact CG1-CZ 3.45Å; V505-F568 VanDerWaalsContact CG1-CZ 3.45Å; V505-F568 HydrophobicContact CG2-CE2 4.04Å; V505-F568 HydrophobicContact CG2-CZ 4.36Å; V505-F568 PolarHBondContact N-O 2.75Å; V505-F568 PolarHBondContact O-N 2.87Å
506	D	83.4	Confident	62.3	Low	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.9	176.4	-166.4	-85.8	0	0	0	110.6	L407 H408 A411 R415 T470 F471 T567	L407-D506 HydrophobicContact CD2-CB 4.33Å; L407-D506 HydrophobicContact CG-CB 4.33Å; H408-D506 IonicContact CE1-OD2 2.63Å; H408-D506 IonicContact CG-OD2 3.96Å; H408-D506 IonicContact ND1-OD1 3.84Å; H408-D506 IonicContact ND1-OD2 2.69Å; H408-D506 PolarHBondContact ND1-OD2 3.2Å; A411-D506 HydrophobicContact CB-CB 4.13Å; A411-D506 WeakPolarHBondContact CB-OD1 3.21Å; R415-D506 IonicContact CZ-OD1 2.68Å; R415-D506 IonicContact NH1-OD1 3.43Å; R415-D506 PolarHBondContact NH1-OD1 2.85Å; R415-D506 IonicContact NH2-OD1 3.43Å; R415-D506 PolarHBondContact NH2-OD1 3.28Å; T470-D506 WeakPolarHBondContact CA-O 3.46Å; F471-D506 PolarHBondContact N-O 2.95Å; F471-D506 PolarHBondContact O-N 2.79Å; D506-T567 HydrophobicContact CB-CG2 4.14Å; D506-T567 WeakPolarHBondContact OD2-CB 3.43Å; D506-T567 PolarHBondContact OD2-OG1 3.25Å
507	T	80.5	Confident	63	Low	7 Å²	7	23 Å²	23	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.2	-176.3	-163.6	0	0	0	0	111.5	T470 F513 G566 F568	T470-T507 PolarHBondContact OG1-OG1 3.2Å; T507-F513 HydrophobicContact CG2-CE1 3.76Å; T507-F513 HydrophobicContact CG2-CZ 3.86Å; T507-G566 PolarHBondContact N-O 3.17Å; T507-G566 PolarHBondContact O-N 3.26Å; T507-F568 HydrophobicContact CG2-CE1 3.98Å
508	N	72.7	Confident	63.5	Low	60 Å²	60	23.3 Å²	23.3	32%	0.321	14%	0.14	S	C	.	.	S	Bend	trans	-86.5	-30.8	-172.8	-78.6	5.6	0	0	0	115.1	R415	R415-N508 WeakPolarHBondContact CD-ND2 3.36Å; R415-N508 PolarHBondContact NE-ND2 2.97Å; R415-N508 PolarHBondContact NE-OD1 2.72Å; R415-N508 PolarHBondContact NH1-OD1 3.35Å; R415-N508 PolarHBondContact NH2-OD1 2.89Å
509	N	63.1	Low	64	Low	69 Å²	69	23.8 Å²	23.8	37%	0.369	14%	0.142	S	C	.	.			trans	-115.8	138.8	-167.3	-81.4	-8.7	0	0	0	113.4	H468 L511	H468-N509 PolarHBondContact CD2-ND2 2.96Å; H468-N509 VanDerWaalsContact CD2-ND2 3.26Å; H468-N509 PolarHBondContact NE2-ND2 3Å; N509-L511 HydrophobicContact CB-CD1 4.49Å; N509-L511 HydrophobicContact CB-CG 4.44Å; N509-L511 PolarHBondContact O-N 2.86Å
510	G	51.6	Low	64.2	Low	37 Å²	37	24.7 Å²	24.7	38%	0.381	15%	0.151	S	C	.	.			trans	-75.5	22.9	175.8	0	0	0	0	0	115.5	S512 Q564	G510-S512 PolarHBondContact O-N 3.18Å; G510-Q564 VanDerWaalsContact CA-CA 3.44Å
511	L	51.4	Low	64	Low	74 Å²	74	27.5 Å²	27.5	39%	0.387	16%	0.163	S	C	.	.			trans	-73.6	126	173.4	-67.7	171.4	0	0	0	108	N509 F513	N509-L511 HydrophobicContact CB-CD1 4.49Å; N509-L511 HydrophobicContact CB-CG 4.44Å; N509-L511 PolarHBondContact O-N 2.86Å; L511-F513 VanDerWaalsContact O-CD1 3.24Å; L511-F513 WeakPolarHBondContact O-CD1 3.12Å; L511-F513 PolarHBondContact O-N 2.95Å
512	S	51.4	Low	63.2	Low	34 Å²	34	30.9 Å²	30.9	24%	0.238	18%	0.177	C	C	.	.			trans	-66.5	99.5	-177.2	65.9	0	0	0	0	110.8	K463 G510	K463-S512 VanDerWaalsContact CD-OG 3.27Å; K463-S512 WeakPolarHBondContact CD-OG 3.48Å; K463-S512 WeakPolarHBondContact CE-OG 3.48Å; K463-S512 WeakPolarHBondContact CG-O 3.4Å; K463-S512 PolarHBondContact NZ-OG 3.08Å; G510-S512 PolarHBondContact O-N 3.18Å
513	F	56.6	Low	61.5	Low	18 Å²	18	35.9 Å²	35.9	8%	0.079	21%	0.21	C	C	.	.			trans	-86.3	153.7	162	50.4	-89.5	0	0	0	109.5	I460 T507 L511 L515 P562 F568	I460-F513 HydrophobicContact CG2-CB 4.16Å; T507-F513 HydrophobicContact CG2-CE1 3.76Å; T507-F513 HydrophobicContact CG2-CZ 3.86Å; L511-F513 VanDerWaalsContact O-CD1 3.24Å; L511-F513 WeakPolarHBondContact O-CD1 3.12Å; L511-F513 PolarHBondContact O-N 2.95Å; F513-L515 HydrophobicContact CD2-CB 4.42Å; F513-P562 HydrophobicContact CD1-CG 4.36Å; F513-P562 HydrophobicContact CD2-CG 4.23Å; F513-P562 HydrophobicContact CE1-CG 3.62Å; F513-P562 HydrophobicContact CE2-CG 3.48Å; F513-P562 VanDerWaalsContact CE2-CG 3.48Å; F513-P562 HydrophobicContact CZ-CB 4.43Å; F513-P562 HydrophobicContact CZ-CG 3.13Å; F513-F568 AromaticContact CE2-CZ 3.79Å; F513-F568 HydrophobicContact CE2-CZ 3.79Å; F513-F568 AromaticContact CZ-CE1 3.96Å; F513-F568 HydrophobicContact CZ-CE1 3.96Å; F513-F568 AromaticContact CZ-CZ 3.55Å; F513-F568 HydrophobicContact CZ-CZ 3.55Å
514	T	57	Low	59.9	Low	35 Å²	35	40.3 Å²	40.3	22%	0.215	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.9	164.8	-55.2	0	0	0	0	108	K461 Q559 C560	K461-T514 PolarHBondContact N-O 3.16Å; K461-T514 VanDerWaalsContact N-O 3.11Å; K461-T514 PolarHBondContact O-N 2.97Å; K461-T514 VanDerWaalsContact O-N 3.12Å; T514-Q559 HydrophobicContact CG2-CB 4.13Å; T514-Q559 HydrophobicContact CG2-CG 4.07Å; T514-C560 WeakPolarHBondContact CA-O 3.38Å
515	L	60.4	Low	58.5	Low	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114.6	163.3	-171.7	74.8	0	0	0	107.3	F458 I460 V505 F513 V517 Q559 C560 I570	F458-L515 HydrophobicContact CD1-CD1 4.1Å; I460-L515 HydrophobicContact CD1-CD1 4.34Å; I460-L515 HydrophobicContact CG1-CD1 3.81Å; V505-L515 HydrophobicContact CG2-CD2 4.19Å; F513-L515 HydrophobicContact CD2-CB 4.42Å; L515-V517 HydrophobicContact CD2-CG2 3.84Å; L515-V517 HydrophobicContact CG-CG2 4.01Å; L515-Q559 VanDerWaalsContact O-CA 3.32Å; L515-Q559 WeakPolarHBondContact O-CA 3.44Å; L515-C560 PolarHBondContact N-O 3.3Å; L515-C560 PolarHBondContact O-N 3.14Å; L515-C560 VanDerWaalsContact O-N 3.12Å; L515-I570 HydrophobicContact CD2-CD1 3.51Å
516	S	59	Low	57	Low	21 Å²	21	44.1 Å²	44.1	15%	0.147	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.8	166.9	64.2	0	0	0	0	110.2	K457 S459 C558	K457-S516 VanDerWaalsContact O-O 3.11Å; S459-S516 WeakPolarHBondContact CB-OG 3.24Å; S459-S516 PolarHBondContact N-O 2.86Å; S459-S516 VanDerWaalsContact N-O 3.15Å; S459-S516 PolarHBondContact O-N 3.1Å; S459-S516 PolarHBondContact O-OG 2.91Å; S516-C558 CarbonylContact C-O 3.59Å; S516-C558 WeakPolarHBondContact CA-O 3.43Å
517	V	59.7	Low	55.7	Low	3 Å²	3	45.7 Å²	45.7	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.2	173.9	-165.3	0	0	0	0	108.9	I456 K457 F458 L515 L519 E557 C558	I456-V517 HydrophobicContact CG2-CG1 3.39Å; K457-V517 WeakPolarHBondContact O-CA 3.32Å; F458-V517 HydrophobicContact CD1-CG1 4.32Å; F458-V517 HydrophobicContact CD1-CG2 3.86Å; F458-V517 HydrophobicContact CE1-CB 4.36Å; F458-V517 HydrophobicContact CE1-CG1 3.81Å; F458-V517 HydrophobicContact CE1-CG2 3.65Å; F458-V517 HydrophobicContact CZ-CG1 3.99Å; L515-V517 HydrophobicContact CD2-CG2 3.84Å; L515-V517 HydrophobicContact CG-CG2 4.01Å; V517-L519 HydrophobicContact CB-CD1 4.01Å; V517-L519 HydrophobicContact CB-CG 4.31Å; V517-L519 HydrophobicContact CG1-CD1 4.07Å; V517-L519 HydrophobicContact CG1-CD2 4.02Å; V517-L519 HydrophobicContact CG1-CG 3.91Å; V517-L519 WeakPolarHBondContact O-CD1 3.35Å; V517-E557 WeakPolarHBondContact O-CA 3.27Å; V517-C558 HydrophobicContact CB-CB 4.05Å; V517-C558 HydrophobicContact CG2-CB 4.28Å; V517-C558 PolarHBondContact N-O 2.66Å; V517-C558 PolarHBondContact O-N 2.77Å
518	D	56.7	Low	54.8	Low	40 Å²	40	46.3 Å²	46.3	21%	0.214	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121	175.7	-169.8	6.1	0	0	0	110.2	K457 N555	K457-D518 HydrophobicContact CB-CB 3.97Å; K457-D518 PolarHBondContact O-N 3.38Å; K457-D518 VanDerWaalsContact O-N 3.09Å; D518-N555 WeakPolarHBondContact OD1-CB 3.45Å; D518-N555 PolarHBondContact OD1-ND2 3.05Å; D518-N555 PolarHBondContact OD2-ND2 3.39Å
519	L	59	Low	54.5	Low	25 Å²	25	43.5 Å²	43.5	13%	0.131	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.2	-166.3	-65.1	147.7	0	0	0	110.3	V517 N555 F556 C558 L572	V517-L519 HydrophobicContact CB-CD1 4.01Å; V517-L519 HydrophobicContact CB-CG 4.31Å; V517-L519 HydrophobicContact CG1-CD1 4.07Å; V517-L519 HydrophobicContact CG1-CD2 4.02Å; V517-L519 HydrophobicContact CG1-CG 3.91Å; V517-L519 WeakPolarHBondContact O-CD1 3.35Å; L519-N555 CarbonylContact O-C 3.59Å; L519-N555 WeakPolarHBondContact O-CA 3.42Å; L519-F556 WeakPolarHBondContact CA-O 3.49Å; L519-F556 HydrophobicContact CB-CB 4.36Å; L519-F556 WeakPolarHBondContact CB-O 3.36Å; L519-F556 PolarHBondContact N-O 2.95Å; L519-F556 PolarHBondContact O-N 2.81Å; L519-C558 HydrophobicContact CD1-CB 3.87Å; L519-L572 HydrophobicContact CB-CD1 3.77Å; L519-L572 HydrophobicContact CD1-CD1 3.85Å; L519-L572 HydrophobicContact CD1-CD2 3.79Å; L519-L572 HydrophobicContact CD1-CG 3.77Å; L519-L572 HydrophobicContact CD2-CD1 4.02Å; L519-L572 HydrophobicContact CD2-CG 4.28Å; L519-L572 HydrophobicContact CG-CD1 4.08Å; L519-L572 HydrophobicContact CG-CG 4.44Å
520	S	56	Low	54.6	Low	58 Å²	58	41.2 Å²	41.2	41%	0.406	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.6	-176.2	168	0	0	0	0	112.8	K454	K454-S520 PolarHBondContact NZ-OG 2.73Å
521	Q	52.2	Low	55.4	Low	77 Å²	77	40.3 Å²	40.3	36%	0.36	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-64.8	137	174.8	-177.3	172.5	54.5	0	0	112	S554 F556	Q521-S554 WeakPolarHBondContact CB-O 3.26Å; Q521-F556 HydrophobicContact CB-CD2 4.15Å; Q521-F556 HydrophobicContact CB-CE2 3.73Å; Q521-F556 HydrophobicContact CB-CZ 4.4Å; Q521-F556 HydrophobicContact CG-CE2 3.69Å; Q521-F556 HydrophobicContact CG-CZ 3.99Å
522	K	48.2	Very low	56	Low	81 Å²	81	37.5 Å²	37.5	35%	0.352	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-87.9	135.8	152.4	-81.2	-177.8	178.3	169.1	0	108.1	D499 N524 I525	D499-K522 IonicContact OD1-NZ 3.54Å; D499-K522 PolarHBondContact OD1-NZ 3.23Å; D499-K522 VanDerWaalsContact OD2-CD 3.31Å; D499-K522 WeakPolarHBondContact OD2-CD 3.43Å; D499-K522 WeakPolarHBondContact OD2-CE 3.36Å; D499-K522 IonicContact OD2-NZ 2.73Å; D499-K522 PolarHBondContact OD2-NZ 3.19Å; K522-N524 PolarHBondContact O-N 2.92Å; K522-I525 HydrophobicContact CB-CD1 3.93Å; K522-I525 HydrophobicContact CD-CD1 4.33Å
523	P	38.3	Very low	56.5	Low	106 Å²	106	41.5 Å²	41.5	69%	0.688	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	142.4	174	26.6	-33.6	0	0	0	109.5
524	N	42.5	Very low	56.4	Low	99 Å²	99	44.2 Å²	44.2	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	36.7	173.2	-56.2	-23.8	0	0	0	118.7	K522 L583	K522-N524 PolarHBondContact O-N 2.92Å; N524-L583 HydrophobicContact CB-CB 3.83Å
525	I	49.6	Very low	56	Low	33 Å²	33	46.2 Å²	46.2	17%	0.169	25%	0.247	C	C	.	.			trans	-140.7	137.9	176.3	-42.6	-179.4	0	0	0	113.6	K522 V527 Y574	K522-I525 HydrophobicContact CB-CD1 3.93Å; K522-I525 HydrophobicContact CD-CD1 4.33Å; I525-V527 HydrophobicContact CG2-CG2 4.5Å; I525-Y574 HydrophobicContact CD1-CD2 3.99Å; I525-Y574 HydrophobicContact CD1-CE2 4.3Å; I525-Y574 HydrophobicContact CG2-CD2 3.67Å; I525-Y574 HydrophobicContact CG2-CG 4.15Å
526	T	47.2	Very low	55.4	Low	49 Å²	49	51.8 Å²	51.8	30%	0.301	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.5	165.1	49.7	0	0	0	0	110.6	W575	T526-W575 PolarHBondContact O-N 3.17Å
527	V	57.7	Low	54.7	Low	32 Å²	32	59.1 Å²	59.1	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	-172.6	172.4	0	0	0	0	109.7	I525 F556 L572	I525-V527 HydrophobicContact CG2-CG2 4.5Å; V527-F556 HydrophobicContact CB-CD2 4.28Å; V527-F556 HydrophobicContact CB-CE1 4.19Å; V527-F556 HydrophobicContact CB-CE2 3.91Å; V527-F556 HydrophobicContact CB-CZ 3.86Å; V527-F556 HydrophobicContact CG1-CD2 4.19Å; V527-F556 HydrophobicContact CG1-CE2 4.31Å; V527-F556 HydrophobicContact CG1-CG 4.37Å; V527-F556 HydrophobicContact CG2-CD2 4.23Å; V527-F556 HydrophobicContact CG2-CE2 3.57Å; V527-F556 HydrophobicContact CG2-CZ 3.79Å; V527-L572 HydrophobicContact CG1-CB 4.07Å; V527-L572 HydrophobicContact CG1-CD1 3.79Å; V527-L572 HydrophobicContact CG1-CD2 3.48Å; V527-L572 VanDerWaalsContact CG1-CD2 3.48Å; V527-L572 HydrophobicContact CG1-CG 3.97Å
528	S	60.5	Low	53.9	Low	21 Å²	21	62.7 Å²	62.7	15%	0.147	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	172.9	-164.1	0	0	0	0	110.1	E530 V573	S528-E530 WeakPolarHBondContact CB-OE1 3.45Å; S528-E530 PolarHBondContact O-N 2.88Å; S528-E530 PolarHBondContact OG-OE1 3.28Å; S528-V573 PolarHBondContact N-O 3.48Å; S528-V573 PolarHBondContact O-N 3.06Å
529	C	66.5	Low	53.2	Low	0 Å²	0	69 Å²	69	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	94	174.3	-168.5	0	0	0	0	108.7	C547 T549 C558 L572	C529-C547 HydrophobicContact CB-CB 4.41Å; C529-C547 VanDerWaalsContact O-CB 3.31Å; C529-C547 WeakPolarHBondContact O-CB 3.47Å; C529-T549 WeakPolarHBondContact CB-OG1 3.45Å; C529-T549 PolarHBondContact N-OG1 2.86Å; C529-C558 HydrophobicContact CB-CB 4.14Å; C529-C558 WeakPolarHBondContact CB-SG 3.4Å; C529-C558 WeakPolarHBondContact SG-CB 3.17Å; C529-C558 CovalentContact SG-SG 2.03Å; C529-C558 PolarHBondContact SG-SG 2.82Å; C529-L572 HydrophobicContact CB-CD2 4.41Å
530	E	65.7	Low	52.7	Low	22 Å²	22	71 Å²	71	10%	0.103	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.7	-176.6	-58.8	-65.9	153	0	0	110.3	S528 W542 N543 D544 A571 V573	S528-E530 WeakPolarHBondContact CB-OE1 3.45Å; S528-E530 PolarHBondContact O-N 2.88Å; S528-E530 PolarHBondContact OG-OE1 3.28Å; E530-W542 HydrophobicContact CB-CB 4.07Å; E530-W542 HydrophobicContact CB-CD2 4.36Å; E530-W542 HydrophobicContact CB-CE3 3.61Å; E530-W542 HydrophobicContact CB-CZ3 4.43Å; E530-W542 HydrophobicContact CG-CB 4.46Å; E530-W542 WeakPolarHBondContact O-CZ3 3.39Å; E530-N543 WeakPolarHBondContact OE2-CA 3.37Å; E530-N543 PolarHBondContact OE2-N 3.05Å; E530-N543 VanDerWaalsContact OE2-N 3.16Å; E530-D544 PolarHBondContact OE2-N 3.43Å; E530-A571 PolarHBondContact N-O 3.27Å; E530-A571 VanDerWaalsContact N-O 3.16Å; E530-A571 PolarHBondContact O-N 3.44Å; E530-V573 HydrophobicContact CB-CB 4.48Å; E530-V573 HydrophobicContact CB-CG2 3.76Å; E530-V573 HydrophobicContact CG-CB 3.66Å; E530-V573 HydrophobicContact CG-CG1 4.42Å; E530-V573 HydrophobicContact CG-CG2 3.42Å; E530-V573 VanDerWaalsContact CG-CG2 3.42Å
531	Q	67.9	Low	52.4	Low	17 Å²	17	73.7 Å²	73.7	8%	0.079	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.9	166.9	-163.5	173.7	-8.4	0	0	109.2	N543 N546 F568	Q531-N543 PolarHBondContact N-O 3.29Å; Q531-N543 PolarHBondContact O-N 2.89Å; Q531-N543 VanDerWaalsContact O-N 3.1Å; Q531-N546 VanDerWaalsContact OE1-CB 3.31Å; Q531-F568 HydrophobicContact CG-CB 4.36Å
532	L	64.9	Low	52.5	Low	16 Å²	16	71.1 Å²	71.1	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.6	160.5	-170.8	64.5	0	0	0	108.7	L400 E540 W542 A569	L400-L532 HydrophobicContact CD2-CD2 3.75Å; L532-E540 HydrophobicContact CD1-CB 4.27Å; L532-E540 HydrophobicContact CD1-CG 4.3Å; L532-W542 HydrophobicContact CB-CD2 3.88Å; L532-W542 HydrophobicContact CB-CE3 3.73Å; L532-W542 HydrophobicContact CB-CH2 3.92Å; L532-W542 HydrophobicContact CB-CZ2 4.04Å; L532-W542 HydrophobicContact CB-CZ3 3.76Å; L532-W542 HydrophobicContact CD1-CD2 4.24Å; L532-W542 HydrophobicContact CD1-CG 4.21Å; L532-W542 HydrophobicContact CD2-CZ2 4.03Å; L532-A569 HydrophobicContact CB-CB 4.11Å; L532-A569 PolarHBondContact N-O 3.24Å; L532-A569 PolarHBondContact O-N 3.4Å
533	K	60.2	Low	52.9	Low	118 Å²	118	71.4 Å²	71.4	51%	0.513	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.3	163.6	-169.9	178.7	-175.5	-179.2	0	109.1	D535	K533-D535 PolarHBondContact O-N 3.22Å
534	Q	55.1	Low	53.6	Low	75 Å²	75	69.5 Å²	69.5	35%	0.35	35%	0.349	S	S	.	.			trans	-76.3	107.9	170.1	-167.9	166	-6.4	0	0	109.3
535	D	49.2	Very low	54.2	Low	76 Å²	76	67.6 Å²	67.6	41%	0.406	35%	0.352	S	S	.	.			trans	-81.4	131.7	169.1	-171.9	-39.6	0	0	0	108.9	K533 K537 F538	K533-D535 PolarHBondContact O-N 3.22Å; D535-K537 PolarHBondContact O-N 2.89Å; D535-K537 WeakPolarHBondContact OD1-CB 3.39Å; D535-K537 PolarHBondContact OD1-N 2.85Å; D535-F538 PolarHBondContact O-N 2.87Å
536	P	47.2	Very low	55	Low	118 Å²	118	69.6 Å²	69.6	77%	0.766	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.3	174.6	23.2	-34.7	0	0	0	114.3	F538	P536-F538 VanDerWaalsContact C-N 3.31Å
537	K	43.7	Very low	56	Low	175 Å²	175	67.9 Å²	67.9	76%	0.761	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	15.7	172.2	-66.7	-177	177.2	176.6	0	114.1	D535 K539	D535-K537 PolarHBondContact O-N 2.89Å; D535-K537 WeakPolarHBondContact OD1-CB 3.39Å; D535-K537 PolarHBondContact OD1-N 2.85Å; K537-K539 PolarHBondContact O-N 2.04Å
538	F	43.9	Very low	56.4	Low	79 Å²	79	69.9 Å²	69.9	35%	0.346	36%	0.359	S	S	.	.			trans	59.6	-2.7	174	-69.8	-81.5	0	0	0	117.6	L330 K401 D535 P536 E540	L330-F538 HydrophobicContact CB-CE1 3.99Å; L330-F538 HydrophobicContact CB-CZ 4.33Å; L330-F538 HydrophobicContact CD1-CE1 4.24Å; K401-F538 PolarHBondContact NZ-O 2.96Å; D535-F538 PolarHBondContact O-N 2.87Å; P536-F538 VanDerWaalsContact C-N 3.31Å; F538-E540 PolarHBondContact O-N 2.8Å
539	K	41.6	Very low	56.5	Low	172 Å²	172	70.4 Å²	70.4	75%	0.748	36%	0.362	S	S	*	.			trans	-69.7	122.7	174	-77.5	-172.5	172.7	-175.5	0	110.3	K537	K537-K539 PolarHBondContact O-N 2.04Å
540	E	48.3	Very low	56.3	Low	66 Å²	66	71.3 Å²	71.3	31%	0.308	37%	0.366	S	S	.	.			trans	-82.7	129.9	173.3	-70.8	159.9	-138.7	0	0	109.7	S397 K401 L532 F538	S397-E540 WeakPolarHBondContact CB-OE1 3.44Å; S397-E540 WeakPolarHBondContact CB-OE2 3.5Å; S397-E540 PolarHBondContact OG-OE1 3.28Å; S397-E540 PolarHBondContact OG-OE2 2.8Å; K401-E540 VanDerWaalsContact CE-OE1 3.26Å; K401-E540 WeakPolarHBondContact CE-OE1 3.4Å; K401-E540 IonicContact NZ-OE1 3.21Å; K401-E540 PolarHBondContact NZ-OE1 3.04Å; L532-E540 HydrophobicContact CD1-CB 4.27Å; L532-E540 HydrophobicContact CD1-CG 4.3Å; F538-E540 PolarHBondContact O-N 2.8Å
541	L	49.9	Very low	56	Low	116 Å²	116	72.9 Å²	72.9	61%	0.607	38%	0.377	S	S	*	.			trans	-137.3	98.5	158.2	-148.8	76	0	0	0	106.8	N543	L541-N543 PolarHBondContact O-N 2.83Å
542	W	54.2	Low	55.3	Low	22 Å²	22	73 Å²	73	8%	0.083	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	123	157.2	-73.6	98	0	0	0	106.8	L400 V483 L484 E530 L532 A569 A571	L400-W542 HydrophobicContact CD2-CH2 4.04Å; L400-W542 HydrophobicContact CD2-CZ2 3.61Å; V483-W542 HydrophobicContact CG1-CZ2 4.01Å; L484-W542 HydrophobicContact CD2-CG 4.3Å; E530-W542 HydrophobicContact CB-CB 4.07Å; E530-W542 HydrophobicContact CB-CD2 4.36Å; E530-W542 HydrophobicContact CB-CE3 3.61Å; E530-W542 HydrophobicContact CB-CZ3 4.43Å; E530-W542 HydrophobicContact CG-CB 4.46Å; E530-W542 WeakPolarHBondContact O-CZ3 3.39Å; L532-W542 HydrophobicContact CB-CD2 3.88Å; L532-W542 HydrophobicContact CB-CE3 3.73Å; L532-W542 HydrophobicContact CB-CH2 3.92Å; L532-W542 HydrophobicContact CB-CZ2 4.04Å; L532-W542 HydrophobicContact CB-CZ3 3.76Å; L532-W542 HydrophobicContact CD1-CD2 4.24Å; L532-W542 HydrophobicContact CD1-CG 4.21Å; L532-W542 HydrophobicContact CD2-CZ2 4.03Å; W542-A569 HydrophobicContact CH2-CB 4.16Å; W542-A571 HydrophobicContact CH2-CB 3.74Å; W542-A571 HydrophobicContact CZ3-CB 3.75Å
543	N	57	Low	54.9	Low	88 Å²	88	75.1 Å²	75.1	47%	0.471	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	135.7	-173.6	-166.5	8.1	0	0	0	111.5	E530 Q531 L541 G545	E530-N543 WeakPolarHBondContact OE2-CA 3.37Å; E530-N543 PolarHBondContact OE2-N 3.05Å; E530-N543 VanDerWaalsContact OE2-N 3.16Å; Q531-N543 PolarHBondContact N-O 3.29Å; Q531-N543 PolarHBondContact O-N 2.89Å; Q531-N543 VanDerWaalsContact O-N 3.1Å; L541-N543 PolarHBondContact O-N 2.83Å; N543-G545 PolarHBondContact O-N 3.19Å
544	D	52.6	Low	54.8	Low	66 Å²	66	73.4 Å²	73.4	35%	0.353	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-62.8	-16.6	175.4	-172.8	43	0	0	0	112.5	E530 N546 C547	E530-D544 PolarHBondContact OE2-N 3.43Å; D544-N546 VanDerWaalsContact C-N 3.28Å; D544-N546 PolarHBondContact O-N 2.9Å; D544-C547 CarbonylContact O-C 3.59Å; D544-C547 PolarHBondContact O-N 3.1Å
545	G	55.7	Low	54.9	Low	59 Å²	59	71.9 Å²	71.9	61%	0.608	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-48.8	-30.5	-162.2	0	0	0	0	0	119.1	N543	N543-G545 PolarHBondContact O-N 3.19Å
546	N	65.1	Low	55.5	Low	74 Å²	74	68.9 Å²	68.9	40%	0.396	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-115.8	-1.1	174.9	-78.6	-11.1	0	0	0	113.5	Q531 D544 C560 L561	Q531-N546 VanDerWaalsContact OE1-CB 3.31Å; D544-N546 VanDerWaalsContact C-N 3.28Å; D544-N546 PolarHBondContact O-N 2.9Å; N546-C560 WeakPolarHBondContact O-CA 3.19Å; N546-L561 PolarHBondContact O-N 3.12Å
547	C	69.2	Low	56.3	Low	13 Å²	13	65 Å²	65	9%	0.088	36%	0.357	C	S	.	.			trans	-106.5	172.1	173.7	-73.3	0	0	0	0	110.4	C529 D544 Q559 C560	C529-C547 HydrophobicContact CB-CB 4.41Å; C529-C547 VanDerWaalsContact O-CB 3.31Å; C529-C547 WeakPolarHBondContact O-CB 3.47Å; D544-C547 CarbonylContact O-C 3.59Å; D544-C547 PolarHBondContact O-N 3.1Å; C547-Q559 CarbonylContact C-O 3.52Å; C547-Q559 WeakPolarHBondContact CA-O 3.29Å; C547-C560 HydrophobicContact CB-CB 4.16Å; C547-C560 WeakPolarHBondContact CB-SG 3.36Å; C547-C560 WeakPolarHBondContact SG-CB 3.42Å; C547-C560 CovalentContact SG-SG 2.04Å; C547-C560 PolarHBondContact SG-SG 3.37Å
548	K	65.9	Low	57.6	Low	75 Å²	75	56.8 Å²	56.8	33%	0.326	32%	0.322	S	S	.	.			trans	-153.7	127.2	173.2	-175	-176.8	176.7	-171.4	0	108.3	I550 Q559 N722	K548-I550 HydrophobicContact CD-CG2 3.87Å; K548-I550 HydrophobicContact CG-CG2 4.11Å; K548-Q559 PolarHBondContact N-O 3.46Å; K548-Q559 PolarHBondContact O-N 3.23Å; K548-N722 PolarHBondContact NZ-ND2 3.17Å
549	T	63.6	Low	58.8	Low	32 Å²	32	56.2 Å²	56.2	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.8	166.2	-37.2	0	0	0	0	108.6	C529 F556	C529-T549 WeakPolarHBondContact CB-OG1 3.45Å; C529-T549 PolarHBondContact N-OG1 2.86Å; T549-F556 HydrophobicContact CG2-CB 4.36Å; T549-F556 HydrophobicContact CG2-CD1 4.08Å
550	I	61.8	Low	60.2	Low	19 Å²	19	48.1 Å²	48.1	10%	0.097	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.1	170.1	50	155	0	0	0	110.2	K548 V552 F556 E557 Q559	K548-I550 HydrophobicContact CD-CG2 3.87Å; K548-I550 HydrophobicContact CG-CG2 4.11Å; I550-V552 HydrophobicContact CD1-CG2 4.03Å; I550-F556 WeakPolarHBondContact O-CA 3.43Å; I550-E557 HydrophobicContact CD1-CB 3.6Å; I550-E557 WeakPolarHBondContact CD1-OE2 3.49Å; I550-E557 HydrophobicContact CG1-CB 3.54Å; I550-E557 WeakPolarHBondContact CG1-O 3.49Å; I550-E557 PolarHBondContact N-O 3.18Å; I550-E557 PolarHBondContact O-N 2.83Å; I550-Q559 HydrophobicContact CD1-CG 4.02Å; I550-Q559 HydrophobicContact CG1-CG 4.22Å
551	V	59.5	Low	61	Low	54 Å²	54	48.6 Å²	48.6	33%	0.327	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.7	177.7	-174.6	0	0	0	0	109.9	F556	V551-F556 HydrophobicContact CG2-CD1 4.12Å; V551-F556 HydrophobicContact CG2-CE1 4.11Å
552	V	52.2	Low	61.7	Low	19 Å²	19	43.2 Å²	43.2	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	83.7	-173.7	163.9	0	0	0	0	108.8	I550 S554 N555 E557	I550-V552 HydrophobicContact CD1-CG2 4.03Å; V552-S554 PolarHBondContact O-N 3.5Å; V552-S554 VanDerWaalsContact O-N 3.07Å; V552-N555 CarbonylContact C-O 3.51Å; V552-N555 WeakPolarHBondContact CA-O 3.47Å; V552-N555 PolarHBondContact N-O 2.9Å; V552-N555 PolarHBondContact O-N 3.01Å; V552-E557 HydrophobicContact CB-CG 4.43Å; V552-E557 HydrophobicContact CG2-CB 4.19Å; V552-E557 HydrophobicContact CG2-CG 4.13Å
553	G	56.6	Low	62	Low	62 Å²	62	45.3 Å²	45.3	64%	0.639	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-111.2	-175.6	0	0	0	0	0	111
554	S	58.5	Low	62.3	Low	82 Å²	82	46.9 Å²	46.9	57%	0.573	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.4	176	60.4	0	0	0	0	114.5	Q521 V552	Q521-S554 WeakPolarHBondContact CB-O 3.26Å; V552-S554 PolarHBondContact O-N 3.5Å; V552-S554 VanDerWaalsContact O-N 3.07Å
555	N	57.2	Low	63	Low	42 Å²	42	45.4 Å²	45.4	23%	0.225	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.8	-176.7	-64.2	5.6	0	0	0	110.7	D518 L519 V552	D518-N555 WeakPolarHBondContact OD1-CB 3.45Å; D518-N555 PolarHBondContact OD1-ND2 3.05Å; D518-N555 PolarHBondContact OD2-ND2 3.39Å; L519-N555 CarbonylContact O-C 3.59Å; L519-N555 WeakPolarHBondContact O-CA 3.42Å; V552-N555 CarbonylContact C-O 3.51Å; V552-N555 WeakPolarHBondContact CA-O 3.47Å; V552-N555 PolarHBondContact N-O 2.9Å; V552-N555 PolarHBondContact O-N 3.01Å
556	F	62.4	Low	63.8	Low	14 Å²	14	43.8 Å²	43.8	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.8	164.6	-59.5	-71.5	0	0	0	108.5	L519 Q521 V527 T549 I550 V551	L519-F556 WeakPolarHBondContact CA-O 3.49Å; L519-F556 HydrophobicContact CB-CB 4.36Å; L519-F556 WeakPolarHBondContact CB-O 3.36Å; L519-F556 PolarHBondContact N-O 2.95Å; L519-F556 PolarHBondContact O-N 2.81Å; Q521-F556 HydrophobicContact CB-CD2 4.15Å; Q521-F556 HydrophobicContact CB-CE2 3.73Å; Q521-F556 HydrophobicContact CB-CZ 4.4Å; Q521-F556 HydrophobicContact CG-CE2 3.69Å; Q521-F556 HydrophobicContact CG-CZ 3.99Å; V527-F556 HydrophobicContact CB-CD2 4.28Å; V527-F556 HydrophobicContact CB-CE1 4.19Å; V527-F556 HydrophobicContact CB-CE2 3.91Å; V527-F556 HydrophobicContact CB-CZ 3.86Å; V527-F556 HydrophobicContact CG1-CD2 4.19Å; V527-F556 HydrophobicContact CG1-CE2 4.31Å; V527-F556 HydrophobicContact CG1-CG 4.37Å; V527-F556 HydrophobicContact CG2-CD2 4.23Å; V527-F556 HydrophobicContact CG2-CE2 3.57Å; V527-F556 HydrophobicContact CG2-CZ 3.79Å; T549-F556 HydrophobicContact CG2-CB 4.36Å; T549-F556 HydrophobicContact CG2-CD1 4.08Å; I550-F556 WeakPolarHBondContact O-CA 3.43Å; V551-F556 HydrophobicContact CG2-CD1 4.12Å; V551-F556 HydrophobicContact CG2-CE1 4.11Å
557	E	63.5	Low	64.2	Low	37 Å²	37	41.2 Å²	41.2	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	164.3	-90.1	177.1	-142.4	0	0	108.1	V517 I550 V552	V517-E557 WeakPolarHBondContact O-CA 3.27Å; I550-E557 HydrophobicContact CD1-CB 3.6Å; I550-E557 WeakPolarHBondContact CD1-OE2 3.49Å; I550-E557 HydrophobicContact CG1-CB 3.54Å; I550-E557 WeakPolarHBondContact CG1-O 3.49Å; I550-E557 PolarHBondContact N-O 3.18Å; I550-E557 PolarHBondContact O-N 2.83Å; V552-E557 HydrophobicContact CB-CG 4.43Å; V552-E557 HydrophobicContact CG2-CB 4.19Å; V552-E557 HydrophobicContact CG2-CG 4.13Å
558	C	71.5	Confident	64.4	Low	2 Å²	2	41 Å²	41	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.5	167.1	-98.3	0	0	0	0	108.4	S516 V517 L519 C529	S516-C558 CarbonylContact C-O 3.59Å; S516-C558 WeakPolarHBondContact CA-O 3.43Å; V517-C558 HydrophobicContact CB-CB 4.05Å; V517-C558 HydrophobicContact CG2-CB 4.28Å; V517-C558 PolarHBondContact N-O 2.66Å; V517-C558 PolarHBondContact O-N 2.77Å; L519-C558 HydrophobicContact CD1-CB 3.87Å; C529-C558 HydrophobicContact CB-CB 4.14Å; C529-C558 WeakPolarHBondContact CB-SG 3.4Å; C529-C558 WeakPolarHBondContact SG-CB 3.17Å; C529-C558 CovalentContact SG-SG 2.03Å; C529-C558 PolarHBondContact SG-SG 2.82Å
559	Q	67.9	Low	64.7	Low	67 Å²	67	37.6 Å²	37.6	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.8	171.7	-72.2	-168.9	2.2	0	0	111.1	T514 L515 C547 K548 I550	T514-Q559 HydrophobicContact CG2-CB 4.13Å; T514-Q559 HydrophobicContact CG2-CG 4.07Å; L515-Q559 VanDerWaalsContact O-CA 3.32Å; L515-Q559 WeakPolarHBondContact O-CA 3.44Å; C547-Q559 CarbonylContact C-O 3.52Å; C547-Q559 WeakPolarHBondContact CA-O 3.29Å; K548-Q559 PolarHBondContact N-O 3.46Å; K548-Q559 PolarHBondContact O-N 3.23Å; I550-Q559 HydrophobicContact CD1-CG 4.02Å; I550-Q559 HydrophobicContact CG1-CG 4.22Å
560	C	71.7	Confident	65	Low	1 Å²	1	36.2 Å²	36.2	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.7	179.3	-57.8	0	0	0	0	112.6	T514 L515 N546 C547 I570	T514-C560 WeakPolarHBondContact CA-O 3.38Å; L515-C560 PolarHBondContact N-O 3.3Å; L515-C560 PolarHBondContact O-N 3.14Å; L515-C560 VanDerWaalsContact O-N 3.12Å; N546-C560 WeakPolarHBondContact O-CA 3.19Å; C547-C560 HydrophobicContact CB-CB 4.16Å; C547-C560 WeakPolarHBondContact CB-SG 3.36Å; C547-C560 WeakPolarHBondContact SG-CB 3.42Å; C547-C560 CovalentContact SG-SG 2.04Å; C547-C560 PolarHBondContact SG-SG 3.37Å; C560-I570 HydrophobicContact CB-CD1 3.93Å
561	L	65.8	Low	65.2	Low	76 Å²	76	35.4 Å²	35.4	40%	0.398	23%	0.23	S	C	.	.			trans	-126.2	74.3	-177.8	-73.7	162.2	0	0	0	109.6	N546 A563	N546-L561 PolarHBondContact O-N 3.12Å; L561-A563 PolarHBondContact O-N 3.25Å
562	P	64.3	Low	65.3	Low	3 Å²	3	33.8 Å²	33.8	2%	0.019	22%	0.219	C	C	.	.			trans	-66.6	133.3	176.5	27.3	-31.5	0	0	0	110.6	F513 F568	F513-P562 HydrophobicContact CD1-CG 4.36Å; F513-P562 HydrophobicContact CD2-CG 4.23Å; F513-P562 HydrophobicContact CE1-CG 3.62Å; F513-P562 HydrophobicContact CE2-CG 3.48Å; F513-P562 VanDerWaalsContact CE2-CG 3.48Å; F513-P562 HydrophobicContact CZ-CB 4.43Å; F513-P562 HydrophobicContact CZ-CG 3.13Å; P562-F568 HydrophobicContact CG-CE1 4.31Å; P562-F568 HydrophobicContact CG-CZ 4.13Å
563	A	59	Low	65.6	Low	67 Å²	67	32.9 Å²	32.9	55%	0.554	21%	0.214	S	C	*	.	S	Bend	trans	-88	-4.2	-179.5	0	0	0	0	0	114.1	L561	L561-A563 PolarHBondContact O-N 3.25Å
564	Q	63.5	Low	65.5	Low	120 Å²	120	31.6 Å²	31.6	56%	0.561	19%	0.19	S	C	*	.	S	Bend	trans	-146.3	150.4	-174.7	-70.8	179.4	-22.7	0	0	109.4	G510	G510-Q564 VanDerWaalsContact CA-CA 3.44Å
565	G	67.5	Low	64.9	Low	35 Å²	35	30.5 Å²	30.5	36%	0.361	17%	0.173	S	C	.	.			trans	-70	172	169.1	0	0	0	0	0	112.1
566	G	73.2	Confident	64.1	Low	26 Å²	26	33 Å²	33	27%	0.268	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	121.5	-177.2	-177.3	0	0	0	0	0	112.8	T507 F568	T507-G566 PolarHBondContact N-O 3.17Å; T507-G566 PolarHBondContact O-N 3.26Å; G566-F568 WeakPolarHBondContact O-CD1 3.29Å
567	T	74.2	Confident	62.7	Low	20 Å²	20	33.9 Å²	33.9	12%	0.123	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.5	173.5	-27	0	0	0	0	111.2	S404 L407 H408 V505 D506	S404-T567 WeakPolarHBondContact OG-CB 3.38Å; S404-T567 VanDerWaalsContact OG-CG2 3.27Å; S404-T567 WeakPolarHBondContact OG-CG2 3.46Å; L407-T567 HydrophobicContact CD2-CG2 4.03Å; H408-T567 WeakPolarHBondContact CB-OG1 3.26Å; H408-T567 PolarHBondContact ND1-OG1 3.23Å; V505-T567 CarbonylContact O-C 3.52Å; V505-T567 WeakPolarHBondContact O-CA 3.32Å; D506-T567 HydrophobicContact CB-CG2 4.14Å; D506-T567 WeakPolarHBondContact OD2-CB 3.43Å; D506-T567 PolarHBondContact OD2-OG1 3.25Å
568	F	72	Confident	61.4	Low	7 Å²	7	33.3 Å²	33.3	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.8	173.8	50.9	-83.2	0	0	0	111.1	V505 T507 F513 Q531 P562 G566 I570	V505-F568 HydrophobicContact CB-CD2 4.18Å; V505-F568 HydrophobicContact CB-CE1 4.12Å; V505-F568 HydrophobicContact CB-CE2 3.56Å; V505-F568 HydrophobicContact CB-CZ 3.5Å; V505-F568 HydrophobicContact CG1-CE1 4.08Å; V505-F568 HydrophobicContact CG1-CE2 3.99Å; V505-F568 HydrophobicContact CG1-CZ 3.45Å; V505-F568 VanDerWaalsContact CG1-CZ 3.45Å; V505-F568 HydrophobicContact CG2-CE2 4.04Å; V505-F568 HydrophobicContact CG2-CZ 4.36Å; V505-F568 PolarHBondContact N-O 2.75Å; V505-F568 PolarHBondContact O-N 2.87Å; T507-F568 HydrophobicContact CG2-CE1 3.98Å; F513-F568 AromaticContact CE2-CZ 3.79Å; F513-F568 HydrophobicContact CE2-CZ 3.79Å; F513-F568 AromaticContact CZ-CE1 3.96Å; F513-F568 HydrophobicContact CZ-CE1 3.96Å; F513-F568 AromaticContact CZ-CZ 3.55Å; F513-F568 HydrophobicContact CZ-CZ 3.55Å; Q531-F568 HydrophobicContact CG-CB 4.36Å; P562-F568 HydrophobicContact CG-CE1 4.31Å; P562-F568 HydrophobicContact CG-CZ 4.13Å; G566-F568 WeakPolarHBondContact O-CD1 3.29Å; F568-I570 HydrophobicContact CD2-CD1 3.84Å; F568-I570 HydrophobicContact CD2-CG1 4.01Å; F568-I570 HydrophobicContact CE2-CD1 3.67Å; F568-I570 HydrophobicContact CE2-CG1 4.35Å
569	A	73	Confident	60	Low	4 Å²	4	36.4 Å²	36.4	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.6	173.1	0	0	0	0	0	110.1	L400 V502 V503 L504 L532 W542	L400-A569 HydrophobicContact CD1-CB 4.43Å; L400-A569 HydrophobicContact CD2-CB 4.27Å; V502-A569 HydrophobicContact CG1-CB 4.25Å; V503-A569 CarbonylContact O-C 3.58Å; V503-A569 WeakPolarHBondContact O-CA 3.29Å; L504-A569 HydrophobicContact CD2-CB 3.64Å; L532-A569 HydrophobicContact CB-CB 4.11Å; L532-A569 PolarHBondContact N-O 3.24Å; L532-A569 PolarHBondContact O-N 3.4Å; W542-A569 HydrophobicContact CH2-CB 4.16Å
570	I	70.6	Confident	58.6	Low	4 Å²	4	37.8 Å²	37.8	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.2	172.1	-66	168.5	0	0	0	107.3	V503 L515 C560 F568	V503-I570 PolarHBondContact N-O 2.99Å; V503-I570 PolarHBondContact O-N 3.46Å; L515-I570 HydrophobicContact CD2-CD1 3.51Å; C560-I570 HydrophobicContact CB-CD1 3.93Å; F568-I570 HydrophobicContact CD2-CD1 3.84Å; F568-I570 HydrophobicContact CD2-CG1 4.01Å; F568-I570 HydrophobicContact CE2-CD1 3.67Å; F568-I570 HydrophobicContact CE2-CG1 4.35Å
571	A	65.8	Low	57.4	Low	2 Å²	2	39.5 Å²	39.5	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.3	177.6	0	0	0	0	0	110.4	L498 V502 E530 W542 V573	L498-A571 HydrophobicContact CD1-CB 3.77Å; V502-A571 HydrophobicContact CG2-CB 4.45Å; E530-A571 PolarHBondContact N-O 3.27Å; E530-A571 VanDerWaalsContact N-O 3.16Å; E530-A571 PolarHBondContact O-N 3.44Å; W542-A571 HydrophobicContact CH2-CB 3.74Å; W542-A571 HydrophobicContact CZ3-CB 3.75Å; A571-V573 PolarHBondContact O-N 2.88Å
572	L	61.8	Low	56.1	Low	19 Å²	19	39.1 Å²	39.1	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	112.8	159.9	-68.9	-174	0	0	0	109.2	S500 L519 V527 C529	S500-L572 WeakPolarHBondContact OG-CB 3.47Å; S500-L572 PolarHBondContact OG-N 2.69Å; L519-L572 HydrophobicContact CB-CD1 3.77Å; L519-L572 HydrophobicContact CD1-CD1 3.85Å; L519-L572 HydrophobicContact CD1-CD2 3.79Å; L519-L572 HydrophobicContact CD1-CG 3.77Å; L519-L572 HydrophobicContact CD2-CD1 4.02Å; L519-L572 HydrophobicContact CD2-CG 4.28Å; L519-L572 HydrophobicContact CG-CD1 4.08Å; L519-L572 HydrophobicContact CG-CG 4.44Å; V527-L572 HydrophobicContact CG1-CB 4.07Å; V527-L572 HydrophobicContact CG1-CD1 3.79Å; V527-L572 HydrophobicContact CG1-CD2 3.48Å; V527-L572 VanDerWaalsContact CG1-CD2 3.48Å; V527-L572 HydrophobicContact CG1-CG 3.97Å; C529-L572 HydrophobicContact CB-CD2 4.41Å
573	V	57.7	Low	55.3	Low	1 Å²	1	40.8 Å²	40.8	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.4	165.3	174.6	0	0	0	0	107.4	L484 P496 S528 E530 A571 W575	L484-V573 HydrophobicContact CD1-CB 4.33Å; L484-V573 HydrophobicContact CD1-CG1 3.98Å; L484-V573 HydrophobicContact CD1-CG2 3.86Å; L484-V573 HydrophobicContact CD2-CB 4.34Å; L484-V573 HydrophobicContact CD2-CG1 3.89Å; L484-V573 HydrophobicContact CD2-CG2 3.5Å; L484-V573 HydrophobicContact CG-CG1 4.47Å; L484-V573 HydrophobicContact CG-CG2 4.31Å; P496-V573 HydrophobicContact CB-CG1 4.15Å; S528-V573 PolarHBondContact N-O 3.48Å; S528-V573 PolarHBondContact O-N 3.06Å; E530-V573 HydrophobicContact CB-CB 4.48Å; E530-V573 HydrophobicContact CB-CG2 3.76Å; E530-V573 HydrophobicContact CG-CB 3.66Å; E530-V573 HydrophobicContact CG-CG1 4.42Å; E530-V573 HydrophobicContact CG-CG2 3.42Å; E530-V573 VanDerWaalsContact CG-CG2 3.42Å; A571-V573 PolarHBondContact O-N 2.88Å; V573-W575 HydrophobicContact CG1-CZ2 4.18Å
574	Y	54.2	Low	54.7	Low	35 Å²	35	42 Å²	42	14%	0.137	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.2	175.1	81.7	-83.6	0	0	0	110.4	S497 D499 I525 L576	S497-Y574 VanDerWaalsContact C-CD1 3.47Å; S497-Y574 VanDerWaalsContact CB-CE1 3.5Å; S497-Y574 VanDerWaalsContact CB-CZ 3.45Å; S497-Y574 WeakPolarHBondContact CB-OH 3.4Å; S497-Y574 PolarHBondContact N-O 2.89Å; S497-Y574 WeakPolarHBondContact O-CD1 3.36Å; S497-Y574 WeakPolarHBondContact O-CE1 3.48Å; S497-Y574 PolarHBondContact O-N 2.91Å; S497-Y574 PolarHBondContact OG-OH 3.34Å; S497-Y574 VanDerWaalsContact OG-OH 3.09Å; D499-Y574 HydrophobicContact CB-CD1 3.62Å; D499-Y574 HydrophobicContact CB-CE1 3.14Å; I525-Y574 HydrophobicContact CD1-CD2 3.99Å; I525-Y574 HydrophobicContact CD1-CE2 4.3Å; I525-Y574 HydrophobicContact CG2-CD2 3.67Å; I525-Y574 HydrophobicContact CG2-CG 4.15Å; Y574-L576 HydrophobicContact CD2-CD1 4.38Å; Y574-L576 HydrophobicContact CD2-CG 4Å; Y574-L576 HydrophobicContact CE2-CD1 3.52Å; Y574-L576 HydrophobicContact CE2-CD2 4.02Å; Y574-L576 HydrophobicContact CE2-CG 3.47Å; Y574-L576 VanDerWaalsContact CE2-CG 3.47Å
575	W	47.3	Very low	54.1	Low	59 Å²	59	41 Å²	41	22%	0.223	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.8	-174.9	-63.6	87.8	0	0	0	109.3	L487 T494 P496 T526 V573 G577	L487-W575 HydrophobicContact CD2-CH2 3.72Å; L487-W575 HydrophobicContact CD2-CZ2 4.43Å; T494-W575 HydrophobicContact CG2-CB 4.28Å; T494-W575 HydrophobicContact CG2-CE3 4.07Å; P496-W575 HydrophobicContact CB-CD2 4.21Å; P496-W575 HydrophobicContact CB-CE3 3.89Å; P496-W575 HydrophobicContact CB-CH2 4.28Å; P496-W575 HydrophobicContact CB-CZ3 3.94Å; P496-W575 HydrophobicContact CG-CE3 3.99Å; P496-W575 HydrophobicContact CG-CH2 3.96Å; P496-W575 HydrophobicContact CG-CZ3 3.57Å; T526-W575 PolarHBondContact O-N 3.17Å; V573-W575 HydrophobicContact CG1-CZ2 4.18Å; W575-G577 VanDerWaalsContact C-N 3.28Å; W575-G577 PolarHBondContact O-N 3.25Å
576	L	38.4	Very low	53.5	Low	94 Å²	94	42.5 Å²	42.5	49%	0.492	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	78.8	176.6	-84.8	149.2	0	0	0	111.1	T494 Y574	T494-L576 VanDerWaalsContact CG2-O 3.3Å; T494-L576 WeakPolarHBondContact CG2-O 3.5Å; Y574-L576 HydrophobicContact CD2-CD1 4.38Å; Y574-L576 HydrophobicContact CD2-CG 4Å; Y574-L576 HydrophobicContact CE2-CD1 3.52Å; Y574-L576 HydrophobicContact CE2-CD2 4.02Å; Y574-L576 HydrophobicContact CE2-CG 3.47Å; Y574-L576 VanDerWaalsContact CE2-CG 3.47Å
577	G	34.7	Very low	53	Low	33 Å²	33	49.3 Å²	49.3	34%	0.34	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	64.2	-174.2	0	0	0	0	0	110.8	T494 W575	T494-G577 VanDerWaalsContact CG2-O 3.26Å; T494-G577 WeakPolarHBondContact CG2-O 3.49Å; T494-G577 PolarHBondContact OG1-O 3.28Å; T494-G577 VanDerWaalsContact OG1-O 3.11Å; W575-G577 VanDerWaalsContact C-N 3.28Å; W575-G577 PolarHBondContact O-N 3.25Å
578	S	35.4	Very low	52.6	Low	25 Å²	25	51.2 Å²	51.2	18%	0.175	28%	0.277	C	S	.	.			trans	-44.6	152.7	168.2	-176.4	0	0	0	0	111.1	H580 I581	S578-H580 CarbonylContact O-C 3.55Å; S578-H580 PolarHBondContact O-N 3.23Å; S578-H580 WeakPolarHBondContact OG-CB 3.36Å; S578-H580 PolarHBondContact OG-N 3.3Å; S578-I581 PolarHBondContact O-N 2.79Å
579	S	42.4	Very low	52.4	Low	67 Å²	67	51.9 Å²	51.9	47%	0.469	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-13.2	157.8	62.5	0	0	0	0	112.8
580	H	38.7	Very low	52.4	Low	95 Å²	95	54.4 Å²	54.4	44%	0.44	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	47.5	169.1	-78.2	-111.8	0	0	0	115.9	S578 F801	S578-H580 CarbonylContact O-C 3.55Å; S578-H580 PolarHBondContact O-N 3.23Å; S578-H580 WeakPolarHBondContact OG-CB 3.36Å; S578-H580 PolarHBondContact OG-N 3.3Å; H580-F801 VanDerWaalsContact CA-CE2 3.42Å; H580-F801 HydrophobicContact CB-CE2 3.72Å; H580-F801 HydrophobicContact CB-CZ 3.36Å; H580-F801 AromaticContact CD2-CE2 3.69Å; H580-F801 AromaticContact CE1-CE2 3.38Å; H580-F801 WeakPolarHBondContact CE1-CE2 3.38Å; H580-F801 AromaticContact CE1-CZ 3.76Å; H580-F801 AromaticContact CG-CE2 3.26Å; H580-F801 AromaticContact CG-CZ 3.28Å; H580-F801 AromaticContact ND1-CE2 3.09Å; H580-F801 WeakPolarHBondContact ND1-CE2 3.37Å; H580-F801 AromaticContact ND1-CZ 3Å; H580-F801 WeakPolarHBondContact ND1-CZ 3.45Å; H580-F801 AromaticContact NE2-CE2 3.77Å
581	I	45.7	Very low	52.8	Low	38 Å²	38	57.6 Å²	57.6	20%	0.195	32%	0.315	C	S	.	.			trans	64.7	134.7	160.1	-38.3	179.1	0	0	0	118.9	S578 H585 I589 F801	S578-I581 PolarHBondContact O-N 2.79Å; I581-H585 HydrophobicContact CG2-CB 3.69Å; I581-I589 HydrophobicContact CD1-CD1 4.24Å; I581-F801 HydrophobicContact CD1-CB 4.25Å; I581-F801 HydrophobicContact CD1-CD1 3.21Å; I581-F801 HydrophobicContact CD1-CD2 4.18Å; I581-F801 HydrophobicContact CD1-CE1 3.43Å; I581-F801 VanDerWaalsContact CD1-CE1 3.43Å; I581-F801 HydrophobicContact CD1-CE2 4.34Å; I581-F801 HydrophobicContact CD1-CG 3.6Å; I581-F801 HydrophobicContact CD1-CZ 3.98Å; I581-F801 HydrophobicContact CG1-CD1 3.93Å; I581-F801 HydrophobicContact CG1-CD2 4.27Å; I581-F801 HydrophobicContact CG1-CE1 3.72Å; I581-F801 HydrophobicContact CG1-CE2 4.05Å; I581-F801 HydrophobicContact CG1-CG 4.18Å; I581-F801 HydrophobicContact CG1-CZ 3.75Å
582	P	39.2	Very low	53.4	Low	67 Å²	67	60.2 Å²	60.2	44%	0.435	33%	0.331	S	S	.	.			trans	-67	137.9	165.8	26.5	-32.7	0	0	0	113.5	T584 H585	P582-T584 VanDerWaalsContact C-N 3.26Å; P582-T584 PolarHBondContact O-N 2.79Å; P582-H585 PolarHBondContact O-N 2.74Å; P582-H585 VanDerWaalsContact O-N 3.09Å
583	L	46.7	Very low	54.3	Low	39 Å²	39	60.5 Å²	60.5	20%	0.204	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.4	-163.4	-80.8	76.7	0	0	0	116.6	N524 H585 V586 Y587	N524-L583 HydrophobicContact CB-CB 3.83Å; L583-H585 PolarHBondContact O-N 3.31Å; L583-V586 HydrophobicContact CB-CB 4.34Å; L583-V586 HydrophobicContact CB-CG2 4.44Å; L583-V586 HydrophobicContact CG-CB 4.23Å; L583-V586 HydrophobicContact CG-CG2 4.04Å; L583-V586 PolarHBondContact O-N 2.88Å; L583-Y587 PolarHBondContact O-N 3.01Å
584	T	47.7	Very low	55.6	Low	91 Å²	91	67 Å²	67	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-53.7	-38	165.7	46.5	0	0	0	0	111.1	P582 S588	P582-T584 VanDerWaalsContact C-N 3.26Å; P582-T584 PolarHBondContact O-N 2.79Å; T584-S588 PolarHBondContact O-OG 3.44Å; T584-S588 VanDerWaalsContact O-OG 3.14Å
585	H	49.7	Very low	57.2	Low	101 Å²	101	69.6 Å²	69.6	47%	0.468	37%	0.373	S	S	.	.	H	α-helix	trans	-77.4	-29.3	173.7	-63.3	-67.1	0	0	0	113.3	I581 P582 L583 Y587 S588 I589	I581-H585 HydrophobicContact CG2-CB 3.69Å; P582-H585 PolarHBondContact O-N 2.74Å; P582-H585 VanDerWaalsContact O-N 3.09Å; L583-H585 PolarHBondContact O-N 3.31Å; H585-Y587 PolarHBondContact O-N 2.68Å; H585-S588 PolarHBondContact O-N 2.95Å; H585-I589 HydrophobicContact CB-CD1 4.1Å; H585-I589 VanDerWaalsContact O-CB 3.29Å; H585-I589 WeakPolarHBondContact O-CB 3.32Å; H585-I589 WeakPolarHBondContact O-CD1 3.33Å; H585-I589 WeakPolarHBondContact O-CG1 3.38Å; H585-I589 PolarHBondContact O-N 2.91Å
586	V	54.5	Low	59	Low	65 Å²	65	70.1 Å²	70.1	39%	0.394	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-41.4	-179.3	174.9	0	0	0	0	111.2	L583 S590	L583-V586 HydrophobicContact CB-CB 4.34Å; L583-V586 HydrophobicContact CB-CG2 4.44Å; L583-V586 HydrophobicContact CG-CB 4.23Å; L583-V586 HydrophobicContact CG-CG2 4.04Å; L583-V586 PolarHBondContact O-N 2.88Å; V586-S590 VanDerWaalsContact O-CB 3.29Å; V586-S590 WeakPolarHBondContact O-CB 3.22Å; V586-S590 PolarHBondContact O-N 2.85Å
587	Y	63.2	Low	61.2	Low	169 Å²	169	66.3 Å²	66.3	66%	0.663	36%	0.357	S	S	*	.	H	α-helix	trans	-64.4	-46.2	173.7	-176.5	-110.9	0	0	0	111.7	L583 H585 I589 S590 I591	L583-Y587 PolarHBondContact O-N 3.01Å; H585-Y587 PolarHBondContact O-N 2.68Å; Y587-I589 PolarHBondContact O-N 2.86Å; Y587-S590 PolarHBondContact O-N 3.34Å; Y587-I591 HydrophobicContact CD1-CD1 3.82Å; Y587-I591 HydrophobicContact CE1-CD1 3.33Å; Y587-I591 HydrophobicContact CE1-CG1 4.43Å; Y587-I591 HydrophobicContact CE2-CD1 4.19Å; Y587-I591 HydrophobicContact CG-CD1 4.44Å; Y587-I591 PolarHBondContact O-N 3.33Å
588	S	66.9	Low	63.8	Low	61 Å²	61	70.5 Å²	70.5	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.3	-56.4	0	0	0	0	112.7	T584 H585 S590 I591 V592	T584-S588 PolarHBondContact O-OG 3.44Å; T584-S588 VanDerWaalsContact O-OG 3.14Å; H585-S588 PolarHBondContact O-N 2.95Å; S588-S590 VanDerWaalsContact C-N 3.33Å; S588-S590 PolarHBondContact O-N 2.84Å; S588-I591 PolarHBondContact O-N 3.35Å; S588-V592 WeakPolarHBondContact O-CB 3.45Å; S588-V592 WeakPolarHBondContact O-CG2 3.1Å; S588-V592 PolarHBondContact O-N 3.43Å
589	I	67.9	Low	66.3	Low	21 Å²	21	72.1 Å²	72.1	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-38.6	177.5	-66.7	161.5	0	0	0	110.3	I581 H585 Y587 V592 N593 L804 I805	I581-I589 HydrophobicContact CD1-CD1 4.24Å; H585-I589 HydrophobicContact CB-CD1 4.1Å; H585-I589 VanDerWaalsContact O-CB 3.29Å; H585-I589 WeakPolarHBondContact O-CB 3.32Å; H585-I589 WeakPolarHBondContact O-CD1 3.33Å; H585-I589 WeakPolarHBondContact O-CG1 3.38Å; H585-I589 PolarHBondContact O-N 2.91Å; Y587-I589 PolarHBondContact O-N 2.86Å; I589-V592 PolarHBondContact O-N 3.04Å; I589-N593 WeakPolarHBondContact O-CB 3.4Å; I589-N593 PolarHBondContact O-N 3.37Å; I589-L804 HydrophobicContact CG2-CB 4.37Å; I589-L804 HydrophobicContact CG2-CD2 3.63Å; I589-L804 HydrophobicContact CG2-CG 3.75Å; I589-I805 HydrophobicContact CD1-CD1 3.99Å; I589-I805 HydrophobicContact CD1-CG1 4.4Å; I589-I805 HydrophobicContact CG1-CD1 3.94Å; I589-I805 HydrophobicContact CG1-CG1 4.1Å; I589-I805 HydrophobicContact CG2-CG1 3.97Å
590	S	72.1	Confident	68.5	Low	57 Å²	57	69.1 Å²	69.1	40%	0.399	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-45.7	176	-169.1	0	0	0	0	112.3	V586 Y587 S588 N593 Y594	V586-S590 VanDerWaalsContact O-CB 3.29Å; V586-S590 WeakPolarHBondContact O-CB 3.22Å; V586-S590 PolarHBondContact O-N 2.85Å; Y587-S590 PolarHBondContact O-N 3.34Å; S588-S590 VanDerWaalsContact C-N 3.33Å; S588-S590 PolarHBondContact O-N 2.84Å; S590-N593 PolarHBondContact O-N 2.94Å; S590-Y594 WeakPolarHBondContact O-CB 3.2Å; S590-Y594 PolarHBondContact O-N 2.98Å
591	I	78.5	Confident	70.8	Confident	70 Å²	70	66.1 Å²	66.1	36%	0.359	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-49.4	173.6	-70.6	168.6	0	0	0	110.9	Y587 S588 N593 Y594 I595	Y587-I591 HydrophobicContact CD1-CD1 3.82Å; Y587-I591 HydrophobicContact CE1-CD1 3.33Å; Y587-I591 HydrophobicContact CE1-CG1 4.43Å; Y587-I591 HydrophobicContact CE2-CD1 4.19Å; Y587-I591 HydrophobicContact CG-CD1 4.44Å; Y587-I591 PolarHBondContact O-N 3.33Å; S588-I591 PolarHBondContact O-N 3.35Å; I591-N593 VanDerWaalsContact C-N 3.32Å; I591-N593 PolarHBondContact O-N 3.47Å; I591-Y594 PolarHBondContact O-N 3.06Å; I591-I595 HydrophobicContact CG2-CD1 3.7Å; I591-I595 HydrophobicContact CG2-CG1 4.38Å; I591-I595 WeakPolarHBondContact O-CG1 3.42Å; I591-I595 PolarHBondContact O-N 3.49Å
592	V	78.8	Confident	72.9	Confident	58 Å²	58	67.1 Å²	67.1	35%	0.352	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-45.1	-179.8	166.6	0	0	0	0	110.7	S588 I589 I595 F596	S588-V592 WeakPolarHBondContact O-CB 3.45Å; S588-V592 WeakPolarHBondContact O-CG2 3.1Å; S588-V592 PolarHBondContact O-N 3.43Å; I589-V592 PolarHBondContact O-N 3.04Å; V592-I595 PolarHBondContact O-N 3Å; V592-F596 HydrophobicContact CG1-CD2 3.65Å; V592-F596 HydrophobicContact CG1-CE2 3.71Å; V592-F596 VanDerWaalsContact O-CD2 3.24Å; V592-F596 WeakPolarHBondContact O-CD2 3.18Å; V592-F596 PolarHBondContact O-N 2.91Å
593	N	81	Confident	75.1	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.134	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.2	-176.4	32.1	0	0	0	111.8	I589 S590 I591 I595 F596 I597 P808	I589-N593 WeakPolarHBondContact O-CB 3.4Å; I589-N593 PolarHBondContact O-N 3.37Å; S590-N593 PolarHBondContact O-N 2.94Å; I591-N593 VanDerWaalsContact C-N 3.32Å; I591-N593 PolarHBondContact O-N 3.47Å; N593-I595 PolarHBondContact O-N 2.76Å; N593-F596 PolarHBondContact O-N 3.37Å; N593-I597 WeakPolarHBondContact O-CB 3.43Å; N593-I597 VanDerWaalsContact O-CG1 3.27Å; N593-I597 WeakPolarHBondContact O-CG1 3.48Å; N593-I597 PolarHBondContact O-N 3.07Å; N593-I597 WeakPolarHBondContact OD1-CD1 3.44Å; N593-P808 WeakPolarHBondContact OD1-CB 3.39Å; N593-P808 WeakPolarHBondContact OD1-CG 3.33Å
594	Y	85	Confident	77.1	Confident	136 Å²	136	62.7 Å²	62.7	53%	0.533	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-44.6	177.3	-170.1	-91.6	0	0	0	112.2	S590 I591 F598 L636	S590-Y594 WeakPolarHBondContact O-CB 3.2Å; S590-Y594 PolarHBondContact O-N 2.98Å; I591-Y594 PolarHBondContact O-N 3.06Å; Y594-F598 WeakPolarHBondContact O-CB 3.47Å; Y594-F598 PolarHBondContact O-N 3.03Å; Y594-L636 HydrophobicContact CD2-CD2 3.89Å; Y594-L636 HydrophobicContact CE2-CD2 3.96Å
595	I	86.8	Confident	79	Confident	90 Å²	90	63.7 Å²	63.7	46%	0.462	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-49.1	176.8	-66.9	168.1	0	0	0	110.8	I591 V592 N593 F598 V599	I591-I595 HydrophobicContact CG2-CD1 3.7Å; I591-I595 HydrophobicContact CG2-CG1 4.38Å; I591-I595 WeakPolarHBondContact O-CG1 3.42Å; I591-I595 PolarHBondContact O-N 3.49Å; V592-I595 PolarHBondContact O-N 3Å; N593-I595 PolarHBondContact O-N 2.76Å; I595-F598 PolarHBondContact O-N 3.01Å; I595-V599 WeakPolarHBondContact O-CG2 3.4Å; I595-V599 PolarHBondContact O-N 3.05Å
596	F	85.3	Confident	80.6	Confident	71 Å²	71	62.7 Å²	62.7	31%	0.311	32%	0.317	S	S	.	.	H	α-helix	trans	-68	-36.5	-179.2	-80.5	-65.6	0	0	0	113	V592 N593 T600 P808 V809 A812	V592-F596 HydrophobicContact CG1-CD2 3.65Å; V592-F596 HydrophobicContact CG1-CE2 3.71Å; V592-F596 VanDerWaalsContact O-CD2 3.24Å; V592-F596 WeakPolarHBondContact O-CD2 3.18Å; V592-F596 PolarHBondContact O-N 2.91Å; N593-F596 PolarHBondContact O-N 3.37Å; F596-T600 WeakPolarHBondContact O-CB 3.46Å; F596-T600 PolarHBondContact O-N 2.67Å; F596-T600 PolarHBondContact O-OG1 2.86Å; F596-P808 HydrophobicContact CB-CB 3.98Å; F596-V809 HydrophobicContact CD1-CG2 4.34Å; F596-V809 HydrophobicContact CD2-CG2 3.71Å; F596-V809 HydrophobicContact CE1-CG2 4.21Å; F596-V809 HydrophobicContact CE2-CG2 3.57Å; F596-V809 HydrophobicContact CG-CG2 4.11Å; F596-V809 HydrophobicContact CZ-CG2 3.84Å; F596-A812 HydrophobicContact CB-CB 4.34Å; F596-A812 HydrophobicContact CD1-CB 3.76Å
597	I	85.9	Confident	81.9	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-44.7	172.4	-68	168.4	0	0	0	110.4	N593 V599 T600 I601 A632 L636	N593-I597 WeakPolarHBondContact O-CB 3.43Å; N593-I597 VanDerWaalsContact O-CG1 3.27Å; N593-I597 WeakPolarHBondContact O-CG1 3.48Å; N593-I597 PolarHBondContact O-N 3.07Å; N593-I597 WeakPolarHBondContact OD1-CD1 3.44Å; I597-V599 PolarHBondContact O-N 2.85Å; I597-T600 WeakPolarHBondContact O-CB 3.42Å; I597-T600 PolarHBondContact O-N 2.85Å; I597-T600 VanDerWaalsContact O-N 3.15Å; I597-I601 HydrophobicContact CG2-CD1 3.82Å; I597-I601 HydrophobicContact CG2-CG1 4.37Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 2.91Å; I597-A632 HydrophobicContact CG2-CB 4.35Å; I597-A632 WeakPolarHBondContact CG2-O 3.32Å; I597-L636 HydrophobicContact CB-CD2 4.06Å; I597-L636 HydrophobicContact CD1-CD2 4.29Å; I597-L636 HydrophobicContact CG2-CD1 4.35Å; I597-L636 HydrophobicContact CG2-CD2 3.51Å; I597-L636 HydrophobicContact CG2-CG 3.71Å
598	F	88.9	Confident	82.9	Confident	121 Å²	121	52.3 Å²	52.3	53%	0.531	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-47.2	177.2	-177.9	-96.5	0	0	0	112	Y594 I595 T600 I601 V602	Y594-F598 WeakPolarHBondContact O-CB 3.47Å; Y594-F598 PolarHBondContact O-N 3.03Å; I595-F598 PolarHBondContact O-N 3.01Å; F598-T600 VanDerWaalsContact C-N 3.29Å; F598-T600 PolarHBondContact O-N 3.39Å; F598-I601 PolarHBondContact O-N 2.79Å; F598-V602 HydrophobicContact CD1-CG2 4.24Å; F598-V602 HydrophobicContact CE1-CG2 3.83Å; F598-V602 HydrophobicContact CE2-CG2 4.38Å; F598-V602 HydrophobicContact CZ-CG2 3.91Å; F598-V602 WeakPolarHBondContact O-CG2 3.19Å; F598-V602 PolarHBondContact O-N 2.77Å
599	V	88	Confident	83.6	Confident	59 Å²	59	52 Å²	52	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-41	174.2	170.7	0	0	0	0	111.5	I595 I597 V602 A603 V816	I595-V599 WeakPolarHBondContact O-CG2 3.4Å; I595-V599 PolarHBondContact O-N 3.05Å; I597-V599 PolarHBondContact O-N 2.85Å; V599-V602 PolarHBondContact O-N 3.43Å; V599-A603 WeakPolarHBondContact O-CB 3.46Å; V599-A603 PolarHBondContact O-N 3.25Å; V599-V816 HydrophobicContact CG1-CG2 4.38Å
600	T	87.2	Confident	83.9	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-47.4	176.1	-54.7	0	0	0	0	111.3	F596 I597 F598 A603 L604 A632 A812 A815	F596-T600 WeakPolarHBondContact O-CB 3.46Å; F596-T600 PolarHBondContact O-N 2.67Å; F596-T600 PolarHBondContact O-OG1 2.86Å; I597-T600 WeakPolarHBondContact O-CB 3.42Å; I597-T600 PolarHBondContact O-N 2.85Å; I597-T600 VanDerWaalsContact O-N 3.15Å; F598-T600 VanDerWaalsContact C-N 3.29Å; F598-T600 PolarHBondContact O-N 3.39Å; T600-A603 PolarHBondContact O-N 3.35Å; T600-L604 HydrophobicContact CG2-CD1 3.94Å; T600-L604 HydrophobicContact CG2-CG 4.47Å; T600-L604 WeakPolarHBondContact O-CB 3.27Å; T600-L604 VanDerWaalsContact O-CG 3.28Å; T600-L604 WeakPolarHBondContact O-CG 3.17Å; T600-L604 PolarHBondContact O-N 3.49Å; T600-A632 HydrophobicContact CG2-CB 4.34Å; T600-A812 WeakPolarHBondContact OG1-CA 3.38Å; T600-A812 WeakPolarHBondContact OG1-CB 3.22Å; T600-A812 PolarHBondContact OG1-N 3.14Å; T600-A815 HydrophobicContact CG2-CB 4Å
601	I	88.8	Confident	84	Confident	32 Å²	32	48.6 Å²	48.6	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-47.2	179.6	-68.3	167.6	0	0	0	110.5	I597 F598 A603 L604 F605 A632 I633 L636	I597-I601 HydrophobicContact CG2-CD1 3.82Å; I597-I601 HydrophobicContact CG2-CG1 4.37Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 2.91Å; F598-I601 PolarHBondContact O-N 2.79Å; I601-A603 PolarHBondContact O-N 2.92Å; I601-L604 PolarHBondContact O-N 3.42Å; I601-F605 VanDerWaalsContact O-CB 3.22Å; I601-F605 WeakPolarHBondContact O-CB 3.5Å; I601-F605 PolarHBondContact O-N 3.05Å; I601-A632 HydrophobicContact CD1-CB 4.33Å; I601-A632 HydrophobicContact CG1-CB 3.73Å; I601-I633 HydrophobicContact CD1-CG1 3.96Å; I601-I633 HydrophobicContact CG1-CG1 4.3Å; I601-L636 HydrophobicContact CD1-CD1 3.73Å; I601-L636 HydrophobicContact CD1-CG 4.41Å
602	V	88.4	Confident	83.8	Confident	60 Å²	60	53.5 Å²	53.5	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-45.6	179.3	173.7	0	0	0	0	111.3	F598 V599 L604 F605 L606	F598-V602 HydrophobicContact CD1-CG2 4.24Å; F598-V602 HydrophobicContact CE1-CG2 3.83Å; F598-V602 HydrophobicContact CE2-CG2 4.38Å; F598-V602 HydrophobicContact CZ-CG2 3.91Å; F598-V602 WeakPolarHBondContact O-CG2 3.19Å; F598-V602 PolarHBondContact O-N 2.77Å; V599-V602 PolarHBondContact O-N 3.43Å; V602-L604 PolarHBondContact O-N 2.91Å; V602-F605 PolarHBondContact O-N 3.29Å; V602-L606 HydrophobicContact CG1-CD1 4.07Å; V602-L606 HydrophobicContact CG1-CG 4.48Å; V602-L606 WeakPolarHBondContact O-CG 3.32Å; V602-L606 PolarHBondContact O-N 3.02Å
603	A	86.9	Confident	83.2	Confident	11 Å²	11	57 Å²	57	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-43.4	178.7	0	0	0	0	0	112.5	V599 T600 I601 F607 A815 V816	V599-A603 WeakPolarHBondContact O-CB 3.46Å; V599-A603 PolarHBondContact O-N 3.25Å; T600-A603 PolarHBondContact O-N 3.35Å; I601-A603 PolarHBondContact O-N 2.92Å; A603-F607 WeakPolarHBondContact O-CB 3.4Å; A603-F607 PolarHBondContact O-N 3.48Å; A603-A815 HydrophobicContact CB-CB 3.99Å; A603-V816 HydrophobicContact CB-CG2 4.18Å
604	L	87.7	Confident	82.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-37.4	176.8	-67.4	176	0	0	0	112.4	T600 I601 V602 F607 L608 A625 L628 M629 A815 M818	T600-L604 HydrophobicContact CG2-CD1 3.94Å; T600-L604 HydrophobicContact CG2-CG 4.47Å; T600-L604 WeakPolarHBondContact O-CB 3.27Å; T600-L604 VanDerWaalsContact O-CG 3.28Å; T600-L604 WeakPolarHBondContact O-CG 3.17Å; T600-L604 PolarHBondContact O-N 3.49Å; I601-L604 PolarHBondContact O-N 3.42Å; V602-L604 PolarHBondContact O-N 2.91Å; L604-F607 WeakPolarHBondContact O-CB 3.24Å; L604-F607 PolarHBondContact O-N 3Å; L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 3.27Å; L604-A625 HydrophobicContact CD2-CB 4.22Å; L604-L628 HydrophobicContact CD1-CB 3.69Å; L604-M629 HydrophobicContact CB-CB 4.13Å; L604-M629 HydrophobicContact CB-CG 4.49Å; L604-M629 HydrophobicContact CD1-CB 4.05Å; L604-A815 HydrophobicContact CD1-CB 4.48Å; L604-A815 HydrophobicContact CD2-CB 3.8Å; L604-A815 HydrophobicContact CG-CB 3.79Å; L604-M818 HydrophobicContact CD2-CE 3.51Å
605	F	87.4	Confident	80.9	Confident	112 Å²	112	53.3 Å²	53.3	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-45.7	176.4	-179	-105.1	0	0	0	111.7	I601 V602 F607 L608 I609 M629	I601-F605 VanDerWaalsContact O-CB 3.22Å; I601-F605 WeakPolarHBondContact O-CB 3.5Å; I601-F605 PolarHBondContact O-N 3.05Å; V602-F605 PolarHBondContact O-N 3.29Å; F605-F607 VanDerWaalsContact C-N 3.3Å; F605-F607 PolarHBondContact O-N 2.81Å; F605-L608 PolarHBondContact O-N 3.43Å; F605-I609 HydrophobicContact CD1-CD1 3.92Å; F605-I609 HydrophobicContact CE1-CD1 3.4Å; F605-I609 VanDerWaalsContact CE1-CD1 3.4Å; F605-I609 HydrophobicContact CE1-CG1 4.4Å; F605-I609 HydrophobicContact CE2-CD1 4.47Å; F605-I609 HydrophobicContact CZ-CD1 3.72Å; F605-I609 HydrophobicContact CZ-CG1 4.43Å; F605-I609 PolarHBondContact O-N 2.85Å; F605-M629 HydrophobicContact CB-SD 4.41Å; F605-M629 HydrophobicContact CD2-SD 4.48Å
606	L	83.2	Confident	79.4	Confident	80 Å²	80	50.7 Å²	50.7	42%	0.419	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-38.3	173.2	-69.6	174.4	0	0	0	111.8	V602 I609 F610 F819	V602-L606 HydrophobicContact CG1-CD1 4.07Å; V602-L606 HydrophobicContact CG1-CG 4.48Å; V602-L606 WeakPolarHBondContact O-CG 3.32Å; V602-L606 PolarHBondContact O-N 3.02Å; L606-I609 PolarHBondContact O-N 2.97Å; L606-F610 VanDerWaalsContact O-CB 3.31Å; L606-F610 WeakPolarHBondContact O-CB 3.29Å; L606-F610 PolarHBondContact O-N 3.2Å; L606-F819 HydrophobicContact CB-CD2 4.31Å; L606-F819 HydrophobicContact CB-CE2 3.95Å
607	F	82.8	Confident	77.8	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-37.7	174.5	-177.6	-93.5	0	0	0	113.4	A603 L604 F605 F610 T611 Q621 A625 F819 V822	A603-F607 WeakPolarHBondContact O-CB 3.4Å; A603-F607 PolarHBondContact O-N 3.48Å; L604-F607 WeakPolarHBondContact O-CB 3.24Å; L604-F607 PolarHBondContact O-N 3Å; F605-F607 VanDerWaalsContact C-N 3.3Å; F605-F607 PolarHBondContact O-N 2.81Å; F607-F610 WeakPolarHBondContact O-CB 3.37Å; F607-F610 PolarHBondContact O-N 3.41Å; F607-T611 HydrophobicContact CD1-CG2 4.13Å; F607-T611 HydrophobicContact CE1-CG2 3.64Å; F607-T611 HydrophobicContact CE2-CG2 4.1Å; F607-T611 HydrophobicContact CZ-CG2 3.62Å; F607-T611 WeakPolarHBondContact O-CG2 3.28Å; F607-T611 PolarHBondContact O-N 3.32Å; F607-T611 PolarHBondContact O-OG1 3.01Å; F607-Q621 HydrophobicContact CE1-CB 4.27Å; F607-Q621 HydrophobicContact CZ-CB 4.09Å; F607-A625 HydrophobicContact CD1-CB 3.43Å; F607-A625 VanDerWaalsContact CD1-CB 3.43Å; F607-A625 HydrophobicContact CE1-CB 3.69Å; F607-F819 HydrophobicContact CB-CD2 4.15Å; F607-V822 HydrophobicContact CE2-CB 3.82Å; F607-V822 HydrophobicContact CE2-CG1 4Å; F607-V822 HydrophobicContact CE2-CG2 3.91Å; F607-V822 HydrophobicContact CZ-CG2 4.43Å
608	L	83.9	Confident	76.9	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-38.2	175.3	-72.4	170.1	0	0	0	112	L604 F605 T611 R612 F622 A625 F626 M629	L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 3.27Å; F605-L608 PolarHBondContact O-N 3.43Å; L608-T611 PolarHBondContact O-OG1 3.37Å; L608-R612 WeakPolarHBondContact O-CB 3.05Å; L608-R612 PolarHBondContact O-N 2.9Å; L608-R612 VanDerWaalsContact O-N 3.11Å; L608-F622 HydrophobicContact CD2-CD2 3.55Å; L608-F622 HydrophobicContact CD2-CE2 3.64Å; L608-F622 HydrophobicContact CD2-CG 4.21Å; L608-F622 HydrophobicContact CD2-CZ 4.34Å; L608-A625 HydrophobicContact CD2-CB 3.82Å; L608-A625 HydrophobicContact CG-CB 4.12Å; L608-F626 HydrophobicContact CD2-CB 4.38Å; L608-M629 HydrophobicContact CD1-CE 3.52Å; L608-M629 HydrophobicContact CD1-SD 3.6Å
609	I	80.6	Confident	75.9	Confident	55 Å²	55	52.9 Å²	52.9	28%	0.282	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-48.7	169.1	-71.5	176	0	0	0	109.7	F605 L606 R612 F613	F605-I609 HydrophobicContact CD1-CD1 3.92Å; F605-I609 HydrophobicContact CE1-CD1 3.4Å; F605-I609 VanDerWaalsContact CE1-CD1 3.4Å; F605-I609 HydrophobicContact CE1-CG1 4.4Å; F605-I609 HydrophobicContact CE2-CD1 4.47Å; F605-I609 HydrophobicContact CZ-CD1 3.72Å; F605-I609 HydrophobicContact CZ-CG1 4.43Å; F605-I609 PolarHBondContact O-N 2.85Å; L606-I609 PolarHBondContact O-N 2.97Å; I609-R612 PolarHBondContact O-N 3Å; I609-F613 HydrophobicContact CB-CD2 4.38Å; I609-F613 HydrophobicContact CG2-CD2 3.88Å; I609-F613 HydrophobicContact CG2-CE2 4.49Å; I609-F613 WeakPolarHBondContact O-CB 3.22Å; I609-F613 WeakPolarHBondContact O-CD2 3.45Å; I609-F613 PolarHBondContact O-N 3.42Å
610	F	75.4	Confident	75.2	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-58.1	-179.9	-174.6	-90	0	0	0	111.9	L606 F607 R612 F613 I614 V822 A823 N829 L833	L606-F610 VanDerWaalsContact O-CB 3.31Å; L606-F610 WeakPolarHBondContact O-CB 3.29Å; L606-F610 PolarHBondContact O-N 3.2Å; F607-F610 WeakPolarHBondContact O-CB 3.37Å; F607-F610 PolarHBondContact O-N 3.41Å; F610-R612 VanDerWaalsContact C-N 3.28Å; F610-R612 PolarHBondContact O-N 3.48Å; F610-F613 PolarHBondContact O-N 2.98Å; F610-I614 HydrophobicContact CD2-CB 4.25Å; F610-I614 HydrophobicContact CD2-CD1 3.42Å; F610-I614 VanDerWaalsContact CD2-CD1 3.42Å; F610-I614 HydrophobicContact CD2-CG1 4.35Å; F610-I614 HydrophobicContact CD2-CG2 4.38Å; F610-I614 HydrophobicContact CE2-CB 4.02Å; F610-I614 HydrophobicContact CE2-CD1 3.6Å; F610-I614 HydrophobicContact CE2-CG1 4.38Å; F610-I614 HydrophobicContact CE2-CG2 3.67Å; F610-I614 HydrophobicContact CG-CD1 4.31Å; F610-I614 HydrophobicContact CZ-CB 4.28Å; F610-I614 HydrophobicContact CZ-CG2 3.78Å; F610-I614 WeakPolarHBondContact O-CB 3.46Å; F610-I614 PolarHBondContact O-N 3.34Å; F610-V822 HydrophobicContact CE1-CG1 4.32Å; F610-A823 HydrophobicContact CD1-CB 4.06Å; F610-A823 HydrophobicContact CD2-CB 3.74Å; F610-A823 HydrophobicContact CE1-CB 4.04Å; F610-A823 HydrophobicContact CE2-CB 3.77Å; F610-A823 HydrophobicContact CG-CB 3.94Å; F610-A823 HydrophobicContact CZ-CB 3.94Å; F610-N829 HydrophobicContact CE1-CB 4.26Å; F610-N829 HydrophobicContact CZ-CB 3.89Å; F610-L833 HydrophobicContact CD2-CD1 4.01Å; F610-L833 HydrophobicContact CE2-CB 3.88Å; F610-L833 HydrophobicContact CE2-CD1 3.88Å; F610-L833 HydrophobicContact CE2-CG 4.29Å
611	T	74.3	Confident	74.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-29.7	-178.2	49.4	0	0	0	0	113.7	F607 L608	F607-T611 HydrophobicContact CD1-CG2 4.13Å; F607-T611 HydrophobicContact CE1-CG2 3.64Å; F607-T611 HydrophobicContact CE2-CG2 4.1Å; F607-T611 HydrophobicContact CZ-CG2 3.62Å; F607-T611 WeakPolarHBondContact O-CG2 3.28Å; F607-T611 PolarHBondContact O-N 3.32Å; F607-T611 PolarHBondContact O-OG1 3.01Å; L608-T611 PolarHBondContact O-OG1 3.37Å
612	R	73.9	Confident	74.2	Confident	173 Å²	173	52.1 Å²	52.1	65%	0.653	26%	0.259	S	S	*	.	H	α-helix	trans	-81.7	-44.2	178.3	-178.1	172.6	177.2	153.8	-0.1	113.9	L608 I609 F610	L608-R612 WeakPolarHBondContact O-CB 3.05Å; L608-R612 PolarHBondContact O-N 2.9Å; L608-R612 VanDerWaalsContact O-N 3.11Å; I609-R612 PolarHBondContact O-N 3Å; F610-R612 VanDerWaalsContact C-N 3.28Å; F610-R612 PolarHBondContact O-N 3.48Å
613	F	66.5	Low	74	Confident	132 Å²	132	50 Å²	50	58%	0.579	25%	0.245	S	C	*	.	H	α-helix	trans	-98.6	-25.6	-169.6	-70.1	-78.8	0	0	0	114.2	I609 F610	I609-F613 HydrophobicContact CB-CD2 4.38Å; I609-F613 HydrophobicContact CG2-CD2 3.88Å; I609-F613 HydrophobicContact CG2-CE2 4.49Å; I609-F613 WeakPolarHBondContact O-CB 3.22Å; I609-F613 WeakPolarHBondContact O-CD2 3.45Å; I609-F613 PolarHBondContact O-N 3.42Å; F610-F613 PolarHBondContact O-N 2.98Å
614	I	62.7	Low	73.8	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.097	24%	0.243	C	C	.	.	S	Bend	trans	-95.5	-1.9	-171.9	-64.4	171.8	0	0	0	112.3	F610 L832 L833 F836	F610-I614 HydrophobicContact CD2-CB 4.25Å; F610-I614 HydrophobicContact CD2-CD1 3.42Å; F610-I614 VanDerWaalsContact CD2-CD1 3.42Å; F610-I614 HydrophobicContact CD2-CG1 4.35Å; F610-I614 HydrophobicContact CD2-CG2 4.38Å; F610-I614 HydrophobicContact CE2-CB 4.02Å; F610-I614 HydrophobicContact CE2-CD1 3.6Å; F610-I614 HydrophobicContact CE2-CG1 4.38Å; F610-I614 HydrophobicContact CE2-CG2 3.67Å; F610-I614 HydrophobicContact CG-CD1 4.31Å; F610-I614 HydrophobicContact CZ-CB 4.28Å; F610-I614 HydrophobicContact CZ-CG2 3.78Å; F610-I614 WeakPolarHBondContact O-CB 3.46Å; F610-I614 PolarHBondContact O-N 3.34Å; I614-L832 HydrophobicContact CG2-CB 3.43Å; I614-L832 VanDerWaalsContact CG2-CB 3.43Å; I614-L833 HydrophobicContact CD1-CD1 4.11Å; I614-F836 HydrophobicContact CD1-CB 3.83Å; I614-F836 HydrophobicContact CD1-CD1 3.87Å; I614-F836 HydrophobicContact CD1-CD2 4.33Å; I614-F836 HydrophobicContact CD1-CG 3.74Å; I614-F836 HydrophobicContact CG1-CB 3.97Å; I614-F836 HydrophobicContact CG1-CD1 4.4Å; I614-F836 HydrophobicContact CG1-CD2 3.96Å; I614-F836 HydrophobicContact CG1-CG 3.84Å
615	G	53.6	Low	73.7	Confident	63 Å²	63	49.8 Å²	49.8	65%	0.649	24%	0.243	S	C	*	.	S	Bend	trans	105.2	-9.6	158.1	0	0	0	0	0	116.5	F617	G615-F617 VanDerWaalsContact C-N 3.33Å; G615-F617 PolarHBondContact O-N 3.03Å
616	V	56.4	Low	73.7	Confident	35 Å²	35	48.3 Å²	48.3	21%	0.212	24%	0.236	C	C	.	.			trans	-94	67.6	174.2	-172.6	0	0	0	0	109.9	R618 N829 L832	V616-R618 HydrophobicContact CG1-CG 4.32Å; V616-R618 PolarHBondContact O-N 3.46Å; V616-N829 VanDerWaalsContact CG2-OD1 3.27Å; V616-N829 WeakPolarHBondContact CG2-OD1 3.17Å; V616-L832 HydrophobicContact CG2-CD1 4.17Å
617	F	51.9	Low	73.9	Confident	112 Å²	112	44.5 Å²	44.5	49%	0.491	22%	0.216	S	C	.	.			trans	-75	87.1	177.4	-173.5	-99.6	0	0	0	111	G615 L619 F622	G615-F617 VanDerWaalsContact C-N 3.33Å; G615-F617 PolarHBondContact O-N 3.03Å; F617-L619 HydrophobicContact CE1-CB 3.96Å; F617-L619 HydrophobicContact CE1-CD1 3.91Å; F617-L619 HydrophobicContact CZ-CB 4.49Å; F617-L619 HydrophobicContact CZ-CD1 3.87Å; F617-F622 HydrophobicContact CE2-CB 3.96Å; F617-F622 HydrophobicContact CE2-CD1 4.4Å; F617-F622 AromaticContact CE2-CD2 3.97Å; F617-F622 HydrophobicContact CE2-CD2 3.97Å; F617-F622 AromaticContact CE2-CG 3.84Å; F617-F622 HydrophobicContact CE2-CG 3.84Å; F617-F622 HydrophobicContact CZ-CB 4.38Å; F617-F622 HydrophobicContact CZ-CG 4.35Å
618	R	67.1	Low	74	Confident	80 Å²	80	45 Å²	45	30%	0.302	22%	0.219	S	C	.	.			trans	-86.6	105.6	164.8	-72.3	-171.6	-172.4	-175.6	7.9	108.9	V616 D620 Q621 F622	V616-R618 HydrophobicContact CG1-CG 4.32Å; V616-R618 PolarHBondContact O-N 3.46Å; R618-D620 WeakPolarHBondContact CB-OD1 3.25Å; R618-D620 PolarHBondContact O-N 3.48Å; R618-Q621 HydrophobicContact CB-CB 3.95Å; R618-Q621 HydrophobicContact CB-CG 3.88Å; R618-Q621 PolarHBondContact O-N 3.34Å; R618-Q621 VanDerWaalsContact O-N 3.07Å; R618-F622 PolarHBondContact O-N 2.95Å
619	L	68.2	Low	74.2	Confident	59 Å²	59	45.5 Å²	45.5	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-54	-38	-177.8	178.3	64.3	0	0	0	111.8	F617 N623 V699	F617-L619 HydrophobicContact CE1-CB 3.96Å; F617-L619 HydrophobicContact CE1-CD1 3.91Å; F617-L619 HydrophobicContact CZ-CB 4.49Å; F617-L619 HydrophobicContact CZ-CD1 3.87Å; L619-N623 WeakPolarHBondContact CD1-ND2 3.22Å; L619-N623 WeakPolarHBondContact O-CB 3.39Å; L619-N623 PolarHBondContact O-N 3.41Å; L619-N623 PolarHBondContact O-ND2 3.01Å; L619-V699 HydrophobicContact CD2-CG2 4.18Å
620	D	72	Confident	74.6	Confident	25 Å²	25	44.4 Å²	44.4	13%	0.134	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-56.7	172	51.8	-70.2	0	0	0	112.3	R618 F622 N623 I624 W666 F670	R618-D620 WeakPolarHBondContact CB-OD1 3.25Å; R618-D620 PolarHBondContact O-N 3.48Å; D620-F622 VanDerWaalsContact C-N 3.31Å; D620-F622 PolarHBondContact O-N 3.39Å; D620-N623 PolarHBondContact O-N 2.97Å; D620-I624 VanDerWaalsContact O-CG1 3.26Å; D620-I624 WeakPolarHBondContact O-CG1 3.41Å; D620-I624 PolarHBondContact O-N 3.31Å; D620-W666 HydrophobicContact CB-CE3 4.48Å; D620-F670 HydrophobicContact CB-CB 4.21Å; D620-F670 HydrophobicContact CB-CD2 4.31Å; D620-F670 WeakPolarHBondContact OD2-CD2 3.31Å; D620-F670 WeakPolarHBondContact OD2-CE2 3.37Å
621	Q	75	Confident	75.1	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-38.1	179.2	-65.3	-170.8	-22.8	0	0	112.6	F607 R618 I624 A625	F607-Q621 HydrophobicContact CE1-CB 4.27Å; F607-Q621 HydrophobicContact CZ-CB 4.09Å; R618-Q621 HydrophobicContact CB-CB 3.95Å; R618-Q621 HydrophobicContact CB-CG 3.88Å; R618-Q621 PolarHBondContact O-N 3.34Å; R618-Q621 VanDerWaalsContact O-N 3.07Å; Q621-I624 PolarHBondContact O-N 3.47Å; Q621-A625 WeakPolarHBondContact O-CB 3.4Å; Q621-A625 PolarHBondContact O-N 3.39Å
622	F	81.6	Confident	75.6	Confident	47 Å²	47	44.7 Å²	44.7	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-49.8	174.3	179.7	-90.2	0	0	0	111.6	L608 F617 R618 D620 I624 A625 F626	L608-F622 HydrophobicContact CD2-CD2 3.55Å; L608-F622 HydrophobicContact CD2-CE2 3.64Å; L608-F622 HydrophobicContact CD2-CG 4.21Å; L608-F622 HydrophobicContact CD2-CZ 4.34Å; F617-F622 HydrophobicContact CE2-CB 3.96Å; F617-F622 HydrophobicContact CE2-CD1 4.4Å; F617-F622 AromaticContact CE2-CD2 3.97Å; F617-F622 HydrophobicContact CE2-CD2 3.97Å; F617-F622 AromaticContact CE2-CG 3.84Å; F617-F622 HydrophobicContact CE2-CG 3.84Å; F617-F622 HydrophobicContact CZ-CB 4.38Å; F617-F622 HydrophobicContact CZ-CG 4.35Å; R618-F622 PolarHBondContact O-N 2.95Å; D620-F622 VanDerWaalsContact C-N 3.31Å; D620-F622 PolarHBondContact O-N 3.39Å; F622-I624 PolarHBondContact O-N 2.61Å; F622-A625 PolarHBondContact O-N 3.5Å; F622-F626 VanDerWaalsContact O-CB 3.25Å; F622-F626 WeakPolarHBondContact O-CB 3.43Å; F622-F626 PolarHBondContact O-N 3.28Å
623	N	83.5	Confident	76.3	Confident	15 Å²	15	40.5 Å²	40.5	8%	0.08	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-39.7	178.7	-79.6	-67.2	0	0	0	112.2	L619 D620 F626 C627 W666 Y703	L619-N623 WeakPolarHBondContact CD1-ND2 3.22Å; L619-N623 WeakPolarHBondContact O-CB 3.39Å; L619-N623 PolarHBondContact O-N 3.41Å; L619-N623 PolarHBondContact O-ND2 3.01Å; D620-N623 PolarHBondContact O-N 2.97Å; N623-F626 PolarHBondContact O-N 3.31Å; N623-C627 WeakPolarHBondContact O-CB 3.23Å; N623-C627 PolarHBondContact O-N 3.27Å; N623-C627 PolarHBondContact O-SG 2.69Å; N623-W666 HydrophobicContact CB-CD2 3.74Å; N623-W666 HydrophobicContact CB-CE3 4.27Å; N623-W666 HydrophobicContact CB-CG 3.95Å; N623-W666 HydrophobicContact CB-CZ2 4.18Å; N623-Y703 PolarHBondContact OD1-OH 3.31Å
624	I	83.1	Confident	77.2	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-51.8	175.7	-66.6	163.2	0	0	0	110.5	D620 Q621 F622 C627 L628 W666 K667 M818	D620-I624 VanDerWaalsContact O-CG1 3.26Å; D620-I624 WeakPolarHBondContact O-CG1 3.41Å; D620-I624 PolarHBondContact O-N 3.31Å; Q621-I624 PolarHBondContact O-N 3.47Å; F622-I624 PolarHBondContact O-N 2.61Å; I624-C627 PolarHBondContact O-N 2.88Å; I624-L628 HydrophobicContact CG2-CD1 3.89Å; I624-L628 VanDerWaalsContact O-CG 3.27Å; I624-L628 WeakPolarHBondContact O-CG 3.4Å; I624-L628 PolarHBondContact O-N 2.78Å; I624-L628 VanDerWaalsContact O-N 3.11Å; I624-W666 HydrophobicContact CD1-CB 4.4Å; I624-W666 HydrophobicContact CG1-CB 3.59Å; I624-K667 HydrophobicContact CD1-CB 4.46Å; I624-K667 HydrophobicContact CD1-CG 3.75Å; I624-K667 HydrophobicContact CG1-CG 4.11Å; I624-K667 HydrophobicContact CG2-CG 4.21Å; I624-M818 HydrophobicContact CG2-SD 4.29Å
625	A	84.4	Confident	78	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-38.6	-179	0	0	0	0	0	112.5	L604 F607 L608 Q621 F622 L628 M629	L604-A625 HydrophobicContact CD2-CB 4.22Å; F607-A625 HydrophobicContact CD1-CB 3.43Å; F607-A625 VanDerWaalsContact CD1-CB 3.43Å; F607-A625 HydrophobicContact CE1-CB 3.69Å; L608-A625 HydrophobicContact CD2-CB 3.82Å; L608-A625 HydrophobicContact CG-CB 4.12Å; Q621-A625 WeakPolarHBondContact O-CB 3.4Å; Q621-A625 PolarHBondContact O-N 3.39Å; F622-A625 PolarHBondContact O-N 3.5Å; A625-L628 PolarHBondContact O-N 2.82Å; A625-M629 VanDerWaalsContact O-CB 3.31Å; A625-M629 WeakPolarHBondContact O-CB 3.13Å; A625-M629 PolarHBondContact O-N 3.07Å
626	F	86.9	Confident	79.3	Confident	81 Å²	81	35.2 Å²	35.2	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-62.1	-49.1	176.1	179.8	-102.7	0	0	0	111.8	L608 F622 N623 L628 M629 V630	L608-F626 HydrophobicContact CD2-CB 4.38Å; F622-F626 VanDerWaalsContact O-CB 3.25Å; F622-F626 WeakPolarHBondContact O-CB 3.43Å; F622-F626 PolarHBondContact O-N 3.28Å; N623-F626 PolarHBondContact O-N 3.31Å; F626-L628 PolarHBondContact O-N 2.71Å; F626-M629 HydrophobicContact CD2-CE 4.21Å; F626-M629 PolarHBondContact O-N 3.47Å; F626-V630 HydrophobicContact CD1-CG2 4.4Å; F626-V630 HydrophobicContact CD2-CG2 4.45Å; F626-V630 HydrophobicContact CE1-CG2 3.99Å; F626-V630 HydrophobicContact CE2-CG2 4.04Å; F626-V630 HydrophobicContact CZ-CG2 3.79Å; F626-V630 WeakPolarHBondContact O-CG2 3.17Å; F626-V630 PolarHBondContact O-N 3.41Å
627	C	87.3	Confident	80.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-47.3	177.1	-69.9	0	0	0	0	111.7	N623 I624 M629 V630 S631 F659 A663	N623-C627 WeakPolarHBondContact O-CB 3.23Å; N623-C627 PolarHBondContact O-N 3.27Å; N623-C627 PolarHBondContact O-SG 2.69Å; I624-C627 PolarHBondContact O-N 2.88Å; C627-M629 VanDerWaalsContact C-N 3.3Å; C627-M629 PolarHBondContact O-N 2.85Å; C627-V630 PolarHBondContact O-N 3.03Å; C627-S631 PolarHBondContact O-N 3.17Å; C627-F659 WeakPolarHBondContact CB-O 3.47Å; C627-F659 WeakPolarHBondContact O-CB 3.45Å; C627-A663 HydrophobicContact CB-CB 3.91Å
628	L	85.8	Confident	81.4	Confident	12 Å²	12	31.2 Å²	31.2	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-35.4	178.7	-64.8	168.9	0	0	0	112.2	L604 I624 A625 F626 S631 A632 A663 M811 M818	L604-L628 HydrophobicContact CD1-CB 3.69Å; I624-L628 HydrophobicContact CG2-CD1 3.89Å; I624-L628 VanDerWaalsContact O-CG 3.27Å; I624-L628 WeakPolarHBondContact O-CG 3.4Å; I624-L628 PolarHBondContact O-N 2.78Å; I624-L628 VanDerWaalsContact O-N 3.11Å; A625-L628 PolarHBondContact O-N 2.82Å; F626-L628 PolarHBondContact O-N 2.71Å; L628-S631 PolarHBondContact O-N 3.14Å; L628-A632 WeakPolarHBondContact O-CB 3.2Å; L628-A632 PolarHBondContact O-N 2.99Å; L628-A663 HydrophobicContact CD1-CB 4.41Å; L628-A663 HydrophobicContact CD2-CB 3.71Å; L628-A663 HydrophobicContact CG-CB 3.73Å; L628-M811 HydrophobicContact CD2-CE 3.7Å; L628-M811 HydrophobicContact CD2-SD 4.45Å; L628-M818 HydrophobicContact CD1-CE 3.8Å
629	M	88.2	Confident	81.4	Confident	26 Å²	26	31.1 Å²	31.1	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-68.4	-45.7	176.9	-174.8	-177.9	68.8	0	0	111.5	L604 F605 L608 A625 F626 C627 S631 A632 I633	L604-M629 HydrophobicContact CB-CB 4.13Å; L604-M629 HydrophobicContact CB-CG 4.49Å; L604-M629 HydrophobicContact CD1-CB 4.05Å; F605-M629 HydrophobicContact CB-SD 4.41Å; F605-M629 HydrophobicContact CD2-SD 4.48Å; L608-M629 HydrophobicContact CD1-CE 3.52Å; L608-M629 HydrophobicContact CD1-SD 3.6Å; A625-M629 VanDerWaalsContact O-CB 3.31Å; A625-M629 WeakPolarHBondContact O-CB 3.13Å; A625-M629 PolarHBondContact O-N 3.07Å; F626-M629 HydrophobicContact CD2-CE 4.21Å; F626-M629 PolarHBondContact O-N 3.47Å; C627-M629 VanDerWaalsContact C-N 3.3Å; C627-M629 PolarHBondContact O-N 2.85Å; M629-S631 VanDerWaalsContact C-N 3.31Å; M629-S631 PolarHBondContact O-N 3.17Å; M629-A632 PolarHBondContact O-N 3.19Å; M629-I633 HydrophobicContact CG-CD1 4.01Å; M629-I633 WeakPolarHBondContact O-CG1 3.35Å; M629-I633 PolarHBondContact O-N 3Å
630	V	88.6	Confident	81.5	Confident	31 Å²	31	35.2 Å²	35.2	19%	0.188	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-42.5	175.5	177.2	0	0	0	0	110.3	F626 C627 A632 I633 V634 F659	F626-V630 HydrophobicContact CD1-CG2 4.4Å; F626-V630 HydrophobicContact CD2-CG2 4.45Å; F626-V630 HydrophobicContact CE1-CG2 3.99Å; F626-V630 HydrophobicContact CE2-CG2 4.04Å; F626-V630 HydrophobicContact CZ-CG2 3.79Å; F626-V630 WeakPolarHBondContact O-CG2 3.17Å; F626-V630 PolarHBondContact O-N 3.41Å; C627-V630 PolarHBondContact O-N 3.03Å; V630-A632 VanDerWaalsContact C-N 3.35Å; V630-A632 PolarHBondContact O-N 3.19Å; V630-I633 PolarHBondContact O-N 3.21Å; V630-V634 HydrophobicContact CG1-CG2 4.38Å; V630-V634 VanDerWaalsContact O-CG2 3.32Å; V630-V634 WeakPolarHBondContact O-CG2 3.29Å; V630-V634 PolarHBondContact O-N 3.43Å; V630-F659 HydrophobicContact CB-CD1 4.24Å; V630-F659 HydrophobicContact CB-CD2 4.42Å; V630-F659 HydrophobicContact CB-CE1 4.39Å; V630-F659 HydrophobicContact CB-CG 4.27Å; V630-F659 HydrophobicContact CG1-CD1 4.08Å; V630-F659 HydrophobicContact CG1-CD2 3.69Å; V630-F659 HydrophobicContact CG1-CE1 3.9Å; V630-F659 HydrophobicContact CG1-CE2 3.5Å; V630-F659 VanDerWaalsContact CG1-CE2 3.5Å; V630-F659 HydrophobicContact CG1-CG 4Å; V630-F659 HydrophobicContact CG1-CZ 3.61Å
631	S	85.2	Confident	81.2	Confident	5 Å²	5	34.6 Å²	34.6	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-44.9	173.9	-169.8	0	0	0	0	112.4	C627 L628 M629 V634 S635 P660	C627-S631 PolarHBondContact O-N 3.17Å; L628-S631 PolarHBondContact O-N 3.14Å; M629-S631 VanDerWaalsContact C-N 3.31Å; M629-S631 PolarHBondContact O-N 3.17Å; S631-V634 PolarHBondContact O-N 3.04Å; S631-S635 PolarHBondContact O-N 3.08Å; S631-S635 PolarHBondContact O-OG 3.26Å; S631-S635 VanDerWaalsContact O-OG 3.06Å; S631-P660 WeakPolarHBondContact OG-CD 3.12Å; S631-P660 VanDerWaalsContact OG-CG 3.22Å; S631-P660 WeakPolarHBondContact OG-CG 3.42Å
632	A	85.7	Confident	80.3	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-39.2	-179.8	0	0	0	0	0	112.2	I597 T600 I601 L628 M629 V630 S635 L636	I597-A632 HydrophobicContact CG2-CB 4.35Å; I597-A632 WeakPolarHBondContact CG2-O 3.32Å; T600-A632 HydrophobicContact CG2-CB 4.34Å; I601-A632 HydrophobicContact CD1-CB 4.33Å; I601-A632 HydrophobicContact CG1-CB 3.73Å; L628-A632 WeakPolarHBondContact O-CB 3.2Å; L628-A632 PolarHBondContact O-N 2.99Å; M629-A632 PolarHBondContact O-N 3.19Å; V630-A632 VanDerWaalsContact C-N 3.35Å; V630-A632 PolarHBondContact O-N 3.19Å; A632-S635 PolarHBondContact O-N 3.05Å; A632-L636 PolarHBondContact O-N 3.43Å
633	I	88.6	Confident	79.2	Confident	86 Å²	86	36.2 Å²	36.2	44%	0.441	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-45.1	174.5	-67.6	164.2	0	0	0	110.8	I601 M629 V630 S635 L636	I601-I633 HydrophobicContact CD1-CG1 3.96Å; I601-I633 HydrophobicContact CG1-CG1 4.3Å; M629-I633 HydrophobicContact CG-CD1 4.01Å; M629-I633 WeakPolarHBondContact O-CG1 3.35Å; M629-I633 PolarHBondContact O-N 3Å; V630-I633 PolarHBondContact O-N 3.21Å; I633-S635 VanDerWaalsContact C-N 3.31Å; I633-S635 PolarHBondContact O-N 2.94Å; I633-L636 WeakPolarHBondContact O-CB 3.21Å; I633-L636 PolarHBondContact O-N 2.95Å
634	V	84.6	Confident	77.7	Confident	29 Å²	29	43.3 Å²	43.3	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-34.8	177.3	177.2	0	0	0	0	111.4	V630 S631 L636 A637 I652 A655 V656	V630-V634 HydrophobicContact CG1-CG2 4.38Å; V630-V634 VanDerWaalsContact O-CG2 3.32Å; V630-V634 WeakPolarHBondContact O-CG2 3.29Å; V630-V634 PolarHBondContact O-N 3.43Å; S631-V634 PolarHBondContact O-N 3.04Å; V634-L636 PolarHBondContact O-N 2.84Å; V634-A637 WeakPolarHBondContact O-CB 3.5Å; V634-A637 PolarHBondContact O-N 2.84Å; V634-I652 HydrophobicContact CG1-CB 4.32Å; V634-I652 HydrophobicContact CG1-CG1 4.08Å; V634-I652 HydrophobicContact CG1-CG2 4.05Å; V634-A655 HydrophobicContact CG1-CB 3.93Å; V634-A655 HydrophobicContact CG2-CB 4.38Å; V634-V656 HydrophobicContact CB-CG2 4.38Å; V634-V656 HydrophobicContact CG1-CG2 3.72Å
635	S	79.3	Confident	76.9	Confident	26 Å²	26	47.6 Å²	47.6	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-26.8	175	-67.4	0	0	0	0	113.8	S631 A632 I633 A637 I638	S631-S635 PolarHBondContact O-N 3.08Å; S631-S635 PolarHBondContact O-OG 3.26Å; S631-S635 VanDerWaalsContact O-OG 3.06Å; A632-S635 PolarHBondContact O-N 3.05Å; I633-S635 VanDerWaalsContact C-N 3.31Å; I633-S635 PolarHBondContact O-N 2.94Å; S635-A637 PolarHBondContact O-N 3.43Å; S635-I638 PolarHBondContact O-N 2.81Å
636	L	82.7	Confident	76.1	Confident	48 Å²	48	50.8 Å²	50.8	25%	0.251	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.2	171.9	-67	175.1	0	0	0	112.9	Y594 I597 I601 A632 I633 V634 P639 H640	Y594-L636 HydrophobicContact CD2-CD2 3.89Å; Y594-L636 HydrophobicContact CE2-CD2 3.96Å; I597-L636 HydrophobicContact CB-CD2 4.06Å; I597-L636 HydrophobicContact CD1-CD2 4.29Å; I597-L636 HydrophobicContact CG2-CD1 4.35Å; I597-L636 HydrophobicContact CG2-CD2 3.51Å; I597-L636 HydrophobicContact CG2-CG 3.71Å; I601-L636 HydrophobicContact CD1-CD1 3.73Å; I601-L636 HydrophobicContact CD1-CG 4.41Å; A632-L636 PolarHBondContact O-N 3.43Å; I633-L636 WeakPolarHBondContact O-CB 3.21Å; I633-L636 PolarHBondContact O-N 2.95Å; V634-L636 PolarHBondContact O-N 2.84Å; L636-P639 WeakPolarHBondContact O-CD 3.36Å; L636-H640 PolarHBondContact O-CD2 3.18Å
637	A	79.3	Confident	75.4	Confident	34 Å²	34	53.2 Å²	53.2	28%	0.281	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.2	179.6	0	0	0	0	0	113.4	V634 S635 H640 T641 I652	V634-A637 WeakPolarHBondContact O-CB 3.5Å; V634-A637 PolarHBondContact O-N 2.84Å; S635-A637 PolarHBondContact O-N 3.43Å; A637-H640 PolarHBondContact O-N 2.8Å; A637-T641 PolarHBondContact O-N 3.22Å; A637-T641 VanDerWaalsContact O-N 3.08Å; A637-I652 HydrophobicContact CB-CD1 3.65Å; A637-I652 HydrophobicContact CB-CG1 4.42Å
638	I	71.8	Confident	74.9	Confident	29 Å²	29	56.6 Å²	56.6	15%	0.149	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-44.6	-176.6	-55.4	169	0	0	0	112.7	S635 H640 T641 I652 V656 L725	S635-I638 PolarHBondContact O-N 2.81Å; I638-H640 PolarHBondContact O-N 2.73Å; I638-T641 PolarHBondContact O-OG1 2.74Å; I638-I652 HydrophobicContact CG1-CG2 3.78Å; I638-V656 HydrophobicContact CD1-CG2 4.09Å; I638-V656 HydrophobicContact CG1-CG2 4.5Å; I638-L725 HydrophobicContact CG2-CD1 3.76Å; I638-L725 HydrophobicContact CG2-CG 4.37Å
639	P	67.3	Low	74.4	Confident	78 Å²	78	56.5 Å²	56.5	51%	0.506	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.3	178.4	-17.2	33.4	0	0	0	113.8	L636	L636-P639 WeakPolarHBondContact O-CD 3.36Å
640	H	70.4	Confident	73.8	Confident	144 Å²	144	57 Å²	57	67%	0.667	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-17.2	-177	-61.1	-52.9	0	0	0	113.1	L636 A637 I638 T642	L636-H640 PolarHBondContact O-CD2 3.18Å; A637-H640 PolarHBondContact O-N 2.8Å; I638-H640 PolarHBondContact O-N 2.73Å; H640-T642 PolarHBondContact O-N 3.21Å
641	T	65.1	Low	73.4	Confident	12 Å²	12	60.5 Å²	60.5	7%	0.074	32%	0.322	C	S	.	.			trans	-70.2	121.2	171.1	41	0	0	0	0	111.6	A637 I638 L648 I652 C726	A637-T641 PolarHBondContact O-N 3.22Å; A637-T641 VanDerWaalsContact O-N 3.08Å; I638-T641 PolarHBondContact O-OG1 2.74Å; T641-L648 HydrophobicContact CG2-CD2 4.07Å; T641-L648 HydrophobicContact CG2-CG 4.04Å; T641-I652 HydrophobicContact CG2-CD1 3.38Å; T641-C726 PolarHBondContact OG1-SG 3.03Å
642	T	56.9	Low	73.1	Confident	62 Å²	62	60.8 Å²	60.8	38%	0.38	32%	0.323	S	S	.	.			trans	-95.9	149.7	171.1	-52.6	0	0	0	0	110.3	H640 R644 Q645	H640-T642 PolarHBondContact O-N 3.21Å; T642-R644 PolarHBondContact O-N 3.11Å; T642-Q645 PolarHBondContact O-N 3.42Å
643	D	57.7	Low	72.6	Confident	27 Å²	27	60.6 Å²	60.6	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-19.3	178.4	-78.4	-55.8	0	0	0	115	Q645 N722	D643-Q645 PolarHBondContact O-N 3.1Å; D643-N722 PolarHBondContact OD1-ND2 3.05Å
644	R	53	Low	72.3	Confident	165 Å²	165	59 Å²	59	62%	0.623	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12	173.4	-75.4	-177	165.8	164.1	-5.3	114.7	T642 P646	T642-R644 PolarHBondContact O-N 3.11Å; R644-P646 VanDerWaalsContact C-CD 3.4Å; R644-P646 WeakPolarHBondContact O-CD 3.42Å
645	Q	66	Low	72.2	Confident	98 Å²	98	58.4 Å²	58.4	46%	0.458	31%	0.314	S	S	.	.			trans	-119.9	65.8	-178.8	-63.7	176.5	-39.8	0	0	111.6	T642 D643 I647 L648 C649	T642-Q645 PolarHBondContact O-N 3.42Å; D643-Q645 PolarHBondContact O-N 3.1Å; Q645-I647 PolarHBondContact O-N 3.07Å; Q645-L648 HydrophobicContact CB-CB 3.92Å; Q645-L648 PolarHBondContact O-N 2.94Å; Q645-L648 VanDerWaalsContact O-N 3.09Å; Q645-C649 WeakPolarHBondContact O-CB 3.41Å; Q645-C649 PolarHBondContact O-N 3.08Å
646	P	66.6	Low	72.1	Confident	67 Å²	67	59.1 Å²	59.1	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-33.5	-175.1	24.5	-34.8	0	0	0	112.8	R644 S650	R644-P646 VanDerWaalsContact C-CD 3.4Å; R644-P646 WeakPolarHBondContact O-CD 3.42Å; P646-S650 WeakPolarHBondContact O-CB 3.27Å; P646-S650 PolarHBondContact O-N 3.07Å; P646-S650 PolarHBondContact O-OG 3.19Å
647	I	74.3	Confident	71.8	Confident	131 Å²	131	58.5 Å²	58.5	67%	0.672	32%	0.316	S	S	*	.	H	α-helix	trans	-65.2	-47.7	176.1	-60.6	170.2	0	0	0	110.8	Q645 S650 I651	Q645-I647 PolarHBondContact O-N 3.07Å; I647-S650 PolarHBondContact O-N 3.02Å; I647-I651 HydrophobicContact CG2-CD1 3.94Å; I647-I651 WeakPolarHBondContact O-CG1 3.32Å; I647-I651 PolarHBondContact O-N 3.3Å
648	L	75.4	Confident	72	Confident	71 Å²	71	59.2 Å²	59.2	37%	0.372	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-42.2	179.8	-175.2	61.9	0	0	0	111.4	T641 Q645 S650 I651 I652	T641-L648 HydrophobicContact CG2-CD2 4.07Å; T641-L648 HydrophobicContact CG2-CG 4.04Å; Q645-L648 HydrophobicContact CB-CB 3.92Å; Q645-L648 PolarHBondContact O-N 2.94Å; Q645-L648 VanDerWaalsContact O-N 3.09Å; L648-S650 VanDerWaalsContact C-N 3.3Å; L648-S650 PolarHBondContact O-N 3.06Å; L648-I651 PolarHBondContact O-N 3.09Å; L648-I652 HydrophobicContact CD1-CD1 4.09Å; L648-I652 HydrophobicContact CG-CD1 3.94Å; L648-I652 WeakPolarHBondContact O-CB 3.38Å; L648-I652 PolarHBondContact O-N 2.78Å
649	C	75.1	Confident	72.6	Confident	10 Å²	10	60 Å²	60	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-43.1	173.6	-174.1	0	0	0	0	111.7	Q645 I652 A653 C726	Q645-C649 WeakPolarHBondContact O-CB 3.41Å; Q645-C649 PolarHBondContact O-N 3.08Å; C649-I652 PolarHBondContact O-N 3.4Å; C649-A653 WeakPolarHBondContact O-CB 3.42Å; C649-A653 PolarHBondContact O-N 3.3Å; C649-C726 WeakPolarHBondContact CA-SG 3.49Å; C649-C726 HydrophobicContact CB-CB 4.16Å; C649-C726 WeakPolarHBondContact CB-SG 3.35Å; C649-C726 WeakPolarHBondContact SG-CB 3.29Å; C649-C726 CovalentContact SG-SG 2.03Å; C649-C726 PolarHBondContact SG-SG 3.23Å
650	S	75.4	Confident	73.1	Confident	38 Å²	38	57.4 Å²	57.4	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-44	176.3	-57.7	0	0	0	0	112.5	P646 I647 L648 I652 A653 V654	P646-S650 WeakPolarHBondContact O-CB 3.27Å; P646-S650 PolarHBondContact O-N 3.07Å; P646-S650 PolarHBondContact O-OG 3.19Å; I647-S650 PolarHBondContact O-N 3.02Å; L648-S650 VanDerWaalsContact C-N 3.3Å; L648-S650 PolarHBondContact O-N 3.06Å; S650-I652 PolarHBondContact O-N 3.11Å; S650-A653 PolarHBondContact O-N 2.93Å; S650-V654 VanDerWaalsContact O-CG2 3.3Å; S650-V654 WeakPolarHBondContact O-CG2 3.47Å; S650-V654 PolarHBondContact O-N 3.44Å
651	I	81.3	Confident	73.4	Confident	104 Å²	104	51 Å²	51	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.1	-68.8	164.8	0	0	0	110.8	I647 L648 V654 A655	I647-I651 HydrophobicContact CG2-CD1 3.94Å; I647-I651 WeakPolarHBondContact O-CG1 3.32Å; I647-I651 PolarHBondContact O-N 3.3Å; L648-I651 PolarHBondContact O-N 3.09Å; I651-V654 PolarHBondContact O-N 3.45Å; I651-A655 VanDerWaalsContact O-CB 3.31Å; I651-A655 WeakPolarHBondContact O-CB 3.33Å; I651-A655 PolarHBondContact O-N 3.26Å
652	I	79	Confident	74.3	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-43.1	177.8	-75.8	163.7	0	0	0	110.9	V634 A637 I638 T641 L648 C649 S650 V654 A655 V656	V634-I652 HydrophobicContact CG1-CB 4.32Å; V634-I652 HydrophobicContact CG1-CG1 4.08Å; V634-I652 HydrophobicContact CG1-CG2 4.05Å; A637-I652 HydrophobicContact CB-CD1 3.65Å; A637-I652 HydrophobicContact CB-CG1 4.42Å; I638-I652 HydrophobicContact CG1-CG2 3.78Å; T641-I652 HydrophobicContact CG2-CD1 3.38Å; L648-I652 HydrophobicContact CD1-CD1 4.09Å; L648-I652 HydrophobicContact CG-CD1 3.94Å; L648-I652 WeakPolarHBondContact O-CB 3.38Å; L648-I652 PolarHBondContact O-N 2.78Å; C649-I652 PolarHBondContact O-N 3.4Å; S650-I652 PolarHBondContact O-N 3.11Å; I652-V654 PolarHBondContact O-N 3.25Å; I652-A655 PolarHBondContact O-N 2.88Å; I652-V656 HydrophobicContact CG2-CG2 4.25Å; I652-V656 WeakPolarHBondContact O-CB 3.37Å; I652-V656 VanDerWaalsContact O-CG2 3.25Å; I652-V656 WeakPolarHBondContact O-CG2 3.39Å; I652-V656 PolarHBondContact O-N 3.07Å
653	A	75.6	Confident	75.4	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-45.6	174.9	0	0	0	0	0	112.3	C649 S650 C657 F714 C726	C649-A653 WeakPolarHBondContact O-CB 3.42Å; C649-A653 PolarHBondContact O-N 3.3Å; S650-A653 PolarHBondContact O-N 2.93Å; A653-C657 PolarHBondContact O-N 2.75Å; A653-C657 PolarHBondContact O-SG 3.46Å; A653-C657 VanDerWaalsContact O-SG 3.41Å; A653-F714 HydrophobicContact CB-CE1 4.33Å; A653-F714 HydrophobicContact CB-CZ 3.99Å; A653-C726 WeakPolarHBondContact CB-O 3.38Å
654	V	81.5	Confident	76.2	Confident	54 Å²	54	46.9 Å²	46.9	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-47.5	175.9	170.2	0	0	0	0	110.8	S650 I651 I652 C657 Y658 I710 F714	S650-V654 VanDerWaalsContact O-CG2 3.3Å; S650-V654 WeakPolarHBondContact O-CG2 3.47Å; S650-V654 PolarHBondContact O-N 3.44Å; I651-V654 PolarHBondContact O-N 3.45Å; I652-V654 PolarHBondContact O-N 3.25Å; V654-C657 PolarHBondContact O-N 3.4Å; V654-Y658 VanDerWaalsContact O-CB 3.23Å; V654-Y658 WeakPolarHBondContact O-CB 3.31Å; V654-Y658 PolarHBondContact O-N 3.5Å; V654-I710 HydrophobicContact CG1-CG2 4.19Å; V654-F714 HydrophobicContact CB-CE2 4.28Å; V654-F714 HydrophobicContact CB-CZ 4.46Å; V654-F714 HydrophobicContact CG2-CD1 4.07Å; V654-F714 HydrophobicContact CG2-CD2 3.73Å; V654-F714 HydrophobicContact CG2-CE1 3.9Å; V654-F714 HydrophobicContact CG2-CE2 3.57Å; V654-F714 HydrophobicContact CG2-CG 4Å; V654-F714 HydrophobicContact CG2-CZ 3.65Å
655	A	82.8	Confident	77.4	Confident	16 Å²	16	39.4 Å²	39.4	13%	0.132	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-43.2	-177.2	0	0	0	0	0	113.2	V634 I651 I652 C657 Y658 F659	V634-A655 HydrophobicContact CG1-CB 3.93Å; V634-A655 HydrophobicContact CG2-CB 4.38Å; I651-A655 VanDerWaalsContact O-CB 3.31Å; I651-A655 WeakPolarHBondContact O-CB 3.33Å; I651-A655 PolarHBondContact O-N 3.26Å; I652-A655 PolarHBondContact O-N 2.88Å; A655-C657 PolarHBondContact O-N 2.91Å; A655-Y658 PolarHBondContact O-N 3.03Å; A655-Y658 VanDerWaalsContact O-N 3.15Å; A655-F659 HydrophobicContact CB-CD2 4.09Å; A655-F659 HydrophobicContact CB-CE2 3.96Å; A655-F659 VanDerWaalsContact O-CD2 3.26Å; A655-F659 WeakPolarHBondContact O-CD2 3.37Å; A655-F659 PolarHBondContact O-N 2.81Å
656	V	77.2	Confident	78.1	Confident	40 Å²	40	35 Å²	35	24%	0.242	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-27.5	177.8	173.7	0	0	0	0	111.8	V634 I638 I652 P660	V634-V656 HydrophobicContact CB-CG2 4.38Å; V634-V656 HydrophobicContact CG1-CG2 3.72Å; I638-V656 HydrophobicContact CD1-CG2 4.09Å; I638-V656 HydrophobicContact CG1-CG2 4.5Å; I652-V656 HydrophobicContact CG2-CG2 4.25Å; I652-V656 WeakPolarHBondContact O-CB 3.37Å; I652-V656 VanDerWaalsContact O-CG2 3.25Å; I652-V656 WeakPolarHBondContact O-CG2 3.39Å; I652-V656 PolarHBondContact O-N 3.07Å; V656-P660 WeakPolarHBondContact O-CD 3.38Å; V656-P660 WeakPolarHBondContact O-CG 3.47Å
657	C	75.6	Confident	78.6	Confident	36 Å²	36	32.3 Å²	32.3	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-80.5	-40.1	169.4	-68.3	0	0	0	0	112.6	A653 V654 A655 L661 I710 F736	A653-C657 PolarHBondContact O-N 2.75Å; A653-C657 PolarHBondContact O-SG 3.46Å; A653-C657 VanDerWaalsContact O-SG 3.41Å; V654-C657 PolarHBondContact O-N 3.4Å; A655-C657 PolarHBondContact O-N 2.91Å; C657-L661 WeakPolarHBondContact O-CB 3.24Å; C657-L661 PolarHBondContact O-N 2.93Å; C657-I710 VanDerWaalsContact C-CD1 3.47Å; C657-I710 HydrophobicContact CB-CD1 3.89Å; C657-F736 HydrophobicContact CB-CE2 4.32Å
658	Y	83.1	Confident	78.5	Confident	48 Å²	48	28.7 Å²	28.7	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-70.6	-51	-171.5	177.1	-100.9	0	0	0	113.8	V654 A655 L661 A662 Y703 P706 A707 I710	V654-Y658 VanDerWaalsContact O-CB 3.23Å; V654-Y658 WeakPolarHBondContact O-CB 3.31Å; V654-Y658 PolarHBondContact O-N 3.5Å; A655-Y658 PolarHBondContact O-N 3.03Å; A655-Y658 VanDerWaalsContact O-N 3.15Å; Y658-L661 PolarHBondContact O-N 3.47Å; Y658-A662 WeakPolarHBondContact O-CB 3.49Å; Y658-A662 PolarHBondContact O-N 3.43Å; Y658-Y703 PolarHBondContact OH-O 3.01Å; Y658-P706 HydrophobicContact CD2-CB 3.97Å; Y658-P706 HydrophobicContact CE2-CB 3.77Å; Y658-A707 HydrophobicContact CE2-CB 3.89Å; Y658-I710 HydrophobicContact CD2-CD1 4.3Å
659	F	85.4	Confident	78.5	Confident	46 Å²	46	25.7 Å²	25.7	20%	0.202	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-40.4	-173	-71.2	-67.5	0	0	0	113.5	C627 V630 A655 A662 A663	C627-F659 WeakPolarHBondContact CB-O 3.47Å; C627-F659 WeakPolarHBondContact O-CB 3.45Å; V630-F659 HydrophobicContact CB-CD1 4.24Å; V630-F659 HydrophobicContact CB-CD2 4.42Å; V630-F659 HydrophobicContact CB-CE1 4.39Å; V630-F659 HydrophobicContact CB-CG 4.27Å; V630-F659 HydrophobicContact CG1-CD1 4.08Å; V630-F659 HydrophobicContact CG1-CD2 3.69Å; V630-F659 HydrophobicContact CG1-CE1 3.9Å; V630-F659 HydrophobicContact CG1-CE2 3.5Å; V630-F659 VanDerWaalsContact CG1-CE2 3.5Å; V630-F659 HydrophobicContact CG1-CG 4Å; V630-F659 HydrophobicContact CG1-CZ 3.61Å; A655-F659 HydrophobicContact CB-CD2 4.09Å; A655-F659 HydrophobicContact CB-CE2 3.96Å; A655-F659 VanDerWaalsContact O-CD2 3.26Å; A655-F659 WeakPolarHBondContact O-CD2 3.37Å; A655-F659 PolarHBondContact O-N 2.81Å; F659-A662 PolarHBondContact O-N 3.12Å; F659-A663 PolarHBondContact O-N 2.72Å
660	P	76.9	Confident	78.4	Confident	23 Å²	23	26 Å²	26	15%	0.149	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-41.5	170.2	-26.3	38.4	0	0	0	112.8	S631 V656 A662 A663 F664	S631-P660 WeakPolarHBondContact OG-CD 3.12Å; S631-P660 VanDerWaalsContact OG-CG 3.22Å; S631-P660 WeakPolarHBondContact OG-CG 3.42Å; V656-P660 WeakPolarHBondContact O-CD 3.38Å; V656-P660 WeakPolarHBondContact O-CG 3.47Å; P660-A662 VanDerWaalsContact C-N 3.33Å; P660-A662 PolarHBondContact O-N 2.94Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 3.34Å; P660-A663 VanDerWaalsContact O-N 3.14Å; P660-F664 WeakPolarHBondContact O-CD2 3.12Å; P660-F664 PolarHBondContact O-N 3.31Å
661	L	76.8	Confident	78.1	Confident	9 Å²	9	24.2 Å²	24.2	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-37.8	178.3	-170.8	62.9	0	0	0	111.8	C657 Y658 F664 S665 P706 I709 I710 F736 I740	C657-L661 WeakPolarHBondContact O-CB 3.24Å; C657-L661 PolarHBondContact O-N 2.93Å; Y658-L661 PolarHBondContact O-N 3.47Å; L661-F664 WeakPolarHBondContact O-CB 3.38Å; L661-F664 PolarHBondContact O-N 3.19Å; L661-S665 PolarHBondContact O-N 3.17Å; L661-S665 PolarHBondContact O-OG 3.13Å; L661-P706 HydrophobicContact CB-CB 4.12Å; L661-P706 HydrophobicContact CD2-CB 3.94Å; L661-P706 HydrophobicContact CG-CB 3.84Å; L661-P706 HydrophobicContact CG-CG 4.32Å; L661-I709 HydrophobicContact CD2-CB 4.1Å; L661-I709 HydrophobicContact CD2-CD1 4.23Å; L661-I709 HydrophobicContact CD2-CG2 3.99Å; L661-I710 HydrophobicContact CB-CD1 4.3Å; L661-I710 HydrophobicContact CD2-CD1 3.71Å; L661-I710 HydrophobicContact CD2-CG1 3.95Å; L661-F736 HydrophobicContact CD2-CE2 4.41Å; L661-I740 HydrophobicContact CD1-CD1 4Å; L661-I740 HydrophobicContact CD1-CG1 3.62Å
662	A	84.1	Confident	77.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-42.2	170.2	0	0	0	0	0	112.4	Y658 F659 P660 F664 S665 W666 Y703 P706	Y658-A662 WeakPolarHBondContact O-CB 3.49Å; Y658-A662 PolarHBondContact O-N 3.43Å; F659-A662 PolarHBondContact O-N 3.12Å; P660-A662 VanDerWaalsContact C-N 3.33Å; P660-A662 PolarHBondContact O-N 2.94Å; A662-F664 VanDerWaalsContact C-N 3.27Å; A662-F664 PolarHBondContact O-N 3.47Å; A662-S665 PolarHBondContact O-N 2.95Å; A662-W666 WeakPolarHBondContact O-CB 3.4Å; A662-W666 VanDerWaalsContact O-CD1 3.23Å; A662-W666 PolarHBondContact O-N 2.87Å; A662-Y703 HydrophobicContact CB-CD1 4.1Å; A662-Y703 HydrophobicContact CB-CE1 4.28Å; A662-P706 HydrophobicContact CB-CB 4.42Å; A662-P706 HydrophobicContact CB-CG 3.99Å
663	A	79.7	Confident	77	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-35.4	172.7	0	0	0	0	0	112.3	C627 L628 F659 P660 K667	C627-A663 HydrophobicContact CB-CB 3.91Å; L628-A663 HydrophobicContact CD1-CB 4.41Å; L628-A663 HydrophobicContact CD2-CB 3.71Å; L628-A663 HydrophobicContact CG-CB 3.73Å; F659-A663 PolarHBondContact O-N 2.72Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 3.34Å; P660-A663 VanDerWaalsContact O-N 3.14Å; A663-K667 WeakPolarHBondContact O-CB 3.48Å; A663-K667 WeakPolarHBondContact O-CD 3.18Å; A663-K667 VanDerWaalsContact O-CG 3.23Å; A663-K667 WeakPolarHBondContact O-CG 3.48Å; A663-K667 PolarHBondContact O-N 3.41Å
664	F	75.5	Confident	76.5	Confident	14 Å²	14	24.3 Å²	24.3	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-43.9	172.7	-77.9	-67.6	0	0	0	113	P660 L661 A662 W666 K667 F668 L786 P789 I793	P660-F664 WeakPolarHBondContact O-CD2 3.12Å; P660-F664 PolarHBondContact O-N 3.31Å; L661-F664 WeakPolarHBondContact O-CB 3.38Å; L661-F664 PolarHBondContact O-N 3.19Å; A662-F664 VanDerWaalsContact C-N 3.27Å; A662-F664 PolarHBondContact O-N 3.47Å; F664-W666 VanDerWaalsContact C-N 3.29Å; F664-W666 PolarHBondContact O-N 2.93Å; F664-K667 HydrophobicContact CD1-CD 4.24Å; F664-K667 WeakPolarHBondContact O-CB 3.44Å; F664-K667 PolarHBondContact O-N 3.04Å; F664-F668 WeakPolarHBondContact O-CB 3.45Å; F664-F668 PolarHBondContact O-N 3.02Å; F664-L786 HydrophobicContact CD1-CD2 4.36Å; F664-L786 HydrophobicContact CE1-CD2 4.43Å; F664-P789 HydrophobicContact CZ-CB 4.24Å; F664-I793 HydrophobicContact CE2-CD1 3.51Å; F664-I793 HydrophobicContact CZ-CD1 3.59Å
665	S	78.2	Confident	75.7	Confident	9 Å²	9	23.2 Å²	23.2	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-36.3	174.7	-69.5	0	0	0	0	112.3	L661 A662 F668 I669 G702	L661-S665 PolarHBondContact O-N 3.17Å; L661-S665 PolarHBondContact O-OG 3.13Å; A662-S665 PolarHBondContact O-N 2.95Å; S665-F668 WeakPolarHBondContact O-CB 3.45Å; S665-F668 PolarHBondContact O-N 2.97Å; S665-I669 WeakPolarHBondContact O-CG1 3.43Å; S665-I669 PolarHBondContact O-N 3.49Å; S665-G702 VanDerWaalsContact CB-O 3.3Å; S665-G702 WeakPolarHBondContact CB-O 3.08Å
666	W	81.4	Confident	74.8	Confident	6 Å²	6	26 Å²	26	2%	0.023	13%	0.134	C	C	.	.	H	α-helix	trans	-68.8	-40.5	172	-83.1	108.6	0	0	0	113.5	D620 N623 I624 A662 F664 F668 I669 F670 V699 Y703	D620-W666 HydrophobicContact CB-CE3 4.48Å; N623-W666 HydrophobicContact CB-CD2 3.74Å; N623-W666 HydrophobicContact CB-CE3 4.27Å; N623-W666 HydrophobicContact CB-CG 3.95Å; N623-W666 HydrophobicContact CB-CZ2 4.18Å; I624-W666 HydrophobicContact CD1-CB 4.4Å; I624-W666 HydrophobicContact CG1-CB 3.59Å; A662-W666 WeakPolarHBondContact O-CB 3.4Å; A662-W666 VanDerWaalsContact O-CD1 3.23Å; A662-W666 PolarHBondContact O-N 2.87Å; F664-W666 VanDerWaalsContact C-N 3.29Å; F664-W666 PolarHBondContact O-N 2.93Å; W666-F668 VanDerWaalsContact C-N 3.27Å; W666-F668 PolarHBondContact O-N 3.06Å; W666-I669 HydrophobicContact CE3-CD1 4.36Å; W666-I669 PolarHBondContact O-N 2.98Å; W666-F670 WeakPolarHBondContact O-CB 3.37Å; W666-F670 PolarHBondContact O-N 3.08Å; W666-V699 HydrophobicContact CH2-CB 4.1Å; W666-V699 HydrophobicContact CH2-CG1 4.27Å; W666-V699 HydrophobicContact CH2-CG2 3.93Å; W666-V699 HydrophobicContact CZ2-CB 4.22Å; W666-V699 HydrophobicContact CZ2-CG1 3.97Å; W666-V699 HydrophobicContact CZ2-CG2 4.46Å; W666-Y703 AromaticContact CE2-CE2 3.7Å; W666-Y703 AromaticContact CZ2-CD2 3.99Å; W666-Y703 HydrophobicContact CZ2-CD2 3.99Å; W666-Y703 AromaticContact CZ2-CE2 3.68Å; W666-Y703 HydrophobicContact CZ2-CE2 3.68Å; W666-Y703 AromaticContact NE1-CD2 3.53Å; W666-Y703 AromaticContact NE1-CE1 3.84Å; W666-Y703 AromaticContact NE1-CE2 3.18Å; W666-Y703 AromaticContact NE1-CZ 3.36Å
667	K	75.5	Confident	74.2	Confident	10 Å²	10	27.7 Å²	27.7	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-37.9	170.9	-76	162.8	178.5	-79.1	0	111.9	I624 A663 F664 F670 G671 T785 L786	I624-K667 HydrophobicContact CD1-CB 4.46Å; I624-K667 HydrophobicContact CD1-CG 3.75Å; I624-K667 HydrophobicContact CG1-CG 4.11Å; I624-K667 HydrophobicContact CG2-CG 4.21Å; A663-K667 WeakPolarHBondContact O-CB 3.48Å; A663-K667 WeakPolarHBondContact O-CD 3.18Å; A663-K667 VanDerWaalsContact O-CG 3.23Å; A663-K667 WeakPolarHBondContact O-CG 3.48Å; A663-K667 PolarHBondContact O-N 3.41Å; F664-K667 HydrophobicContact CD1-CD 4.24Å; F664-K667 WeakPolarHBondContact O-CB 3.44Å; F664-K667 PolarHBondContact O-N 3.04Å; K667-F670 PolarHBondContact O-N 3.45Å; K667-G671 PolarHBondContact O-N 2.99Å; K667-T785 VanDerWaalsContact NZ-CG2 3.25Å; K667-T785 PolarHBondContact NZ-O 3.2Å; K667-L786 HydrophobicContact CB-CD2 4.12Å; K667-L786 HydrophobicContact CD-CD2 3.93Å
668	F	73.1	Confident	73.6	Confident	54 Å²	54	28.1 Å²	28.1	24%	0.237	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-47.4	176	171.9	-125.6	0	0	0	112.4	F664 S665 W666 F670 G671 L672 V743 F746	F664-F668 WeakPolarHBondContact O-CB 3.45Å; F664-F668 PolarHBondContact O-N 3.02Å; S665-F668 WeakPolarHBondContact O-CB 3.45Å; S665-F668 PolarHBondContact O-N 2.97Å; W666-F668 VanDerWaalsContact C-N 3.27Å; W666-F668 PolarHBondContact O-N 3.06Å; F668-F670 VanDerWaalsContact C-N 3.28Å; F668-F670 PolarHBondContact O-N 3.24Å; F668-G671 PolarHBondContact O-N 2.68Å; F668-L672 HydrophobicContact CD1-CD1 4.47Å; F668-L672 HydrophobicContact CD2-CD1 4.41Å; F668-L672 HydrophobicContact CD2-CG 4.24Å; F668-L672 HydrophobicContact CE1-CD1 3.81Å; F668-L672 HydrophobicContact CE2-CD1 3.71Å; F668-L672 HydrophobicContact CE2-CD2 4.14Å; F668-L672 HydrophobicContact CE2-CG 3.63Å; F668-L672 HydrophobicContact CZ-CD1 3.4Å; F668-L672 HydrophobicContact CZ-CD2 4.38Å; F668-L672 HydrophobicContact CZ-CG 3.88Å; F668-L672 PolarHBondContact O-N 2.94Å; F668-V743 HydrophobicContact CB-CG1 3.85Å; F668-V743 HydrophobicContact CG-CG1 4.1Å; F668-F746 HydrophobicContact CD2-CD1 4.27Å; F668-F746 AromaticContact CE2-CD1 3.44Å; F668-F746 HydrophobicContact CE2-CD1 3.44Å; F668-F746 VanDerWaalsContact CE2-CD1 3.44Å; F668-F746 AromaticContact CE2-CE1 3.57Å; F668-F746 HydrophobicContact CE2-CE1 3.57Å; F668-F746 HydrophobicContact CZ-CD1 4.19Å; F668-F746 HydrophobicContact CZ-CE1 4.11Å
669	I	74.9	Confident	72.7	Confident	9 Å²	9	31.6 Å²	31.6	5%	0.046	16%	0.161	C	C	.	.	H	α-helix	trans	-58	-42.2	173.6	-70.1	164.6	0	0	0	110.7	S665 W666 L672 N673 L698	S665-I669 WeakPolarHBondContact O-CG1 3.43Å; S665-I669 PolarHBondContact O-N 3.49Å; W666-I669 HydrophobicContact CE3-CD1 4.36Å; W666-I669 PolarHBondContact O-N 2.98Å; I669-L672 PolarHBondContact O-N 3.04Å; I669-N673 WeakPolarHBondContact O-CB 3.44Å; I669-N673 PolarHBondContact O-N 3.36Å; I669-N673 PolarHBondContact O-ND2 2.82Å; I669-L698 HydrophobicContact CG2-CD2 3.6Å; I669-L698 HydrophobicContact CG2-CG 3.9Å
670	F	73.7	Confident	71.6	Confident	17 Å²	17	30.9 Å²	30.9	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-40.3	176.3	179.3	-124.7	0	0	0	113.1	D620 W666 K667 F668 N673 T674 V778 L782	D620-F670 HydrophobicContact CB-CB 4.21Å; D620-F670 HydrophobicContact CB-CD2 4.31Å; D620-F670 WeakPolarHBondContact OD2-CD2 3.31Å; D620-F670 WeakPolarHBondContact OD2-CE2 3.37Å; W666-F670 WeakPolarHBondContact O-CB 3.37Å; W666-F670 PolarHBondContact O-N 3.08Å; K667-F670 PolarHBondContact O-N 3.45Å; F668-F670 VanDerWaalsContact C-N 3.28Å; F668-F670 PolarHBondContact O-N 3.24Å; F670-N673 PolarHBondContact O-N 2.74Å; F670-T674 WeakPolarHBondContact O-CB 3.06Å; F670-T674 PolarHBondContact O-N 2.98Å; F670-T674 PolarHBondContact O-OG1 3.21Å; F670-V778 HydrophobicContact CE1-CG1 4.15Å; F670-V778 HydrophobicContact CZ-CG1 3.58Å; F670-L782 HydrophobicContact CD1-CD1 3.68Å; F670-L782 HydrophobicContact CE1-CD1 3.99Å
671	G	68.4	Low	70.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-45.4	173.3	0	0	0	0	0	112.7	K667 F668 T674 L675	K667-G671 PolarHBondContact O-N 2.99Å; F668-G671 PolarHBondContact O-N 2.68Å; G671-T674 PolarHBondContact O-N 3.27Å; G671-L675 PolarHBondContact O-N 3.42Å
672	L	68.1	Low	69.4	Low	52 Å²	52	42.8 Å²	42.8	27%	0.272	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-48.7	173.5	-80.2	178.2	0	0	0	112.4	F668 I669 T674 L675 I676 F746 I750	F668-L672 HydrophobicContact CD1-CD1 4.47Å; F668-L672 HydrophobicContact CD2-CD1 4.41Å; F668-L672 HydrophobicContact CD2-CG 4.24Å; F668-L672 HydrophobicContact CE1-CD1 3.81Å; F668-L672 HydrophobicContact CE2-CD1 3.71Å; F668-L672 HydrophobicContact CE2-CD2 4.14Å; F668-L672 HydrophobicContact CE2-CG 3.63Å; F668-L672 HydrophobicContact CZ-CD1 3.4Å; F668-L672 HydrophobicContact CZ-CD2 4.38Å; F668-L672 HydrophobicContact CZ-CG 3.88Å; F668-L672 PolarHBondContact O-N 2.94Å; I669-L672 PolarHBondContact O-N 3.04Å; L672-T674 PolarHBondContact O-N 3.14Å; L672-L675 WeakPolarHBondContact O-CB 3.29Å; L672-L675 PolarHBondContact O-N 2.82Å; L672-L675 VanDerWaalsContact O-N 3.13Å; L672-I676 VanDerWaalsContact O-CG1 3.31Å; L672-I676 WeakPolarHBondContact O-CG1 3.25Å; L672-I676 PolarHBondContact O-N 2.68Å; L672-F746 HydrophobicContact CD2-CE1 4.07Å; L672-I750 HydrophobicContact CD2-CD1 3.92Å
673	N	68.8	Low	67.7	Low	49 Å²	49	44.9 Å²	44.9	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-40	178.1	-72.3	-12.3	0	0	0	111.1	I669 F670 L677	I669-N673 WeakPolarHBondContact O-CB 3.44Å; I669-N673 PolarHBondContact O-N 3.36Å; I669-N673 PolarHBondContact O-ND2 2.82Å; F670-N673 PolarHBondContact O-N 2.74Å; N673-L677 WeakPolarHBondContact O-CB 3.22Å; N673-L677 PolarHBondContact O-N 3.13Å
674	T	65.6	Low	66.1	Low	18 Å²	18	55.5 Å²	55.5	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-41.6	175.7	-56.6	0	0	0	0	112	F670 G671 L672 L677 I678	F670-T674 WeakPolarHBondContact O-CB 3.06Å; F670-T674 PolarHBondContact O-N 2.98Å; F670-T674 PolarHBondContact O-OG1 3.21Å; G671-T674 PolarHBondContact O-N 3.27Å; L672-T674 PolarHBondContact O-N 3.14Å; T674-L677 PolarHBondContact O-N 3.4Å; T674-I678 HydrophobicContact CG2-CD1 4.06Å; T674-I678 VanDerWaalsContact O-CG1 3.32Å; T674-I678 WeakPolarHBondContact O-CG1 3.29Å; T674-I678 PolarHBondContact O-N 3.17Å
675	L	64.5	Low	64.8	Low	31 Å²	31	62.1 Å²	62.1	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-46.2	176.1	-176.8	70.9	0	0	0	111.9	G671 L672 L677 I678 I679 I750 V754	G671-L675 PolarHBondContact O-N 3.42Å; L672-L675 WeakPolarHBondContact O-CB 3.29Å; L672-L675 PolarHBondContact O-N 2.82Å; L672-L675 VanDerWaalsContact O-N 3.13Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.22Å; L675-I678 PolarHBondContact O-N 2.92Å; L675-I678 VanDerWaalsContact O-N 3.15Å; L675-I679 HydrophobicContact CD1-CD1 3.61Å; L675-I679 HydrophobicContact CD1-CG1 4.1Å; L675-I679 HydrophobicContact CD2-CD1 4.34Å; L675-I679 HydrophobicContact CG-CD1 3.8Å; L675-I679 HydrophobicContact CG-CG1 4.37Å; L675-I679 PolarHBondContact O-N 3.37Å; L675-I750 HydrophobicContact CB-CG2 4.09Å; L675-I750 HydrophobicContact CD1-CG2 4.3Å; L675-I750 HydrophobicContact CD2-CD1 3.84Å; L675-I750 HydrophobicContact CD2-CG1 3.98Å; L675-I750 HydrophobicContact CD2-CG2 4.44Å; L675-V754 HydrophobicContact CD1-CG2 3.63Å
676	I	65.4	Low	63.4	Low	73 Å²	73	66.7 Å²	66.7	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-43.2	179.5	-68.1	164.7	0	0	0	110.4	L672 I678 A680	L672-I676 VanDerWaalsContact O-CG1 3.31Å; L672-I676 WeakPolarHBondContact O-CG1 3.25Å; L672-I676 PolarHBondContact O-N 2.68Å; I676-I678 PolarHBondContact O-N 3.06Å; I676-A680 PolarHBondContact O-N 2.78Å
677	L	64	Low	61.8	Low	76 Å²	76	70.9 Å²	70.9	40%	0.398	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-35	175.8	-177.5	64.5	0	0	0	112.7	N673 T674 L675	N673-L677 WeakPolarHBondContact O-CB 3.22Å; N673-L677 PolarHBondContact O-N 3.13Å; T674-L677 PolarHBondContact O-N 3.4Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.22Å
678	I	62.8	Low	60.5	Low	46 Å²	46	74.7 Å²	74.7	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-85.5	-42.4	-176.8	-68.6	172.4	0	0	0	112.3	T674 L675 I676 V754 V757	T674-I678 HydrophobicContact CG2-CD1 4.06Å; T674-I678 VanDerWaalsContact O-CG1 3.32Å; T674-I678 WeakPolarHBondContact O-CG1 3.29Å; T674-I678 PolarHBondContact O-N 3.17Å; L675-I678 PolarHBondContact O-N 2.92Å; L675-I678 VanDerWaalsContact O-N 3.15Å; I676-I678 PolarHBondContact O-N 3.06Å; I678-V754 HydrophobicContact CD1-CB 4.49Å; I678-V754 HydrophobicContact CD1-CG1 3.4Å; I678-V754 HydrophobicContact CD1-CG2 4.27Å; I678-V757 HydrophobicContact CG2-CG1 4.12Å
679	I	64.4	Low	59.3	Low	121 Å²	121	75 Å²	75	62%	0.621	37%	0.374	S	S	*	.	H	α-helix	trans	-75.2	-36.1	-178.5	-67.3	-177.1	0	0	0	111.5	L675 P681	L675-I679 HydrophobicContact CD1-CD1 3.61Å; L675-I679 HydrophobicContact CD1-CG1 4.1Å; L675-I679 HydrophobicContact CD2-CD1 4.34Å; L675-I679 HydrophobicContact CG-CD1 3.8Å; L675-I679 HydrophobicContact CG-CG1 4.37Å; L675-I679 PolarHBondContact O-N 3.37Å; I679-P681 WeakPolarHBondContact O-CD 3.47Å
680	A	61.6	Low	57.9	Low	31 Å²	31	78 Å²	78	26%	0.256	40%	0.396	S	S	.	.			trans	-128.6	51.2	-167.3	0	0	0	0	0	114.3	I676 H682 S683	I676-A680 PolarHBondContact O-N 2.78Å; A680-H682 PolarHBondContact O-N 2.81Å; A680-S683 WeakPolarHBondContact CB-OG 3.04Å; A680-S683 PolarHBondContact O-N 3.48Å; A680-S683 VanDerWaalsContact O-N 3.08Å; A680-S683 PolarHBondContact O-OG 2.04Å; A680-S683 VanDerWaalsContact O-OG 3.11Å
681	P	57.7	Low	56.6	Low	88 Å²	88	83 Å²	83	57%	0.571	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.3	-173.1	30.3	-38.8	0	0	0	115.1	I679	I679-P681 WeakPolarHBondContact O-CD 3.47Å
682	H	49.6	Very low	55.7	Low	194 Å²	194	88.5 Å²	88.5	90%	0.898	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	12.3	177.8	-110.6	46.4	0	0	0	113.6	A680	A680-H682 PolarHBondContact O-N 2.81Å
683	S	47.9	Very low	54.7	Low	43 Å²	43	95.1 Å²	95.1	30%	0.301	48%	0.48	S	S	.	.	S	Bend	trans	-81.8	145.9	176.7	72.5	0	0	0	0	111.8	A680 Y685 H686	A680-S683 WeakPolarHBondContact CB-OG 3.04Å; A680-S683 PolarHBondContact O-N 3.48Å; A680-S683 VanDerWaalsContact O-N 3.08Å; A680-S683 PolarHBondContact O-OG 2.04Å; A680-S683 VanDerWaalsContact O-OG 3.11Å; S683-Y685 PolarHBondContact O-N 3.16Å; S683-H686 PolarHBondContact O-N 3.07Å; S683-H686 VanDerWaalsContact O-N 3.09Å
684	R	48.1	Very low	53.6	Low	225 Å²	225	96.8 Å²	96.8	85%	0.849	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-8.3	175.7	-136.6	179.4	-162.8	177.2	5.6	114.3	H686	R684-H686 VanDerWaalsContact C-N 3.29Å
685	Y	47.9	Very low	52.9	Low	152 Å²	152	97.6 Å²	97.6	60%	0.596	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.1	172.8	-103.8	-92.5	0	0	0	113.2	S683 D687 L688 V689	S683-Y685 PolarHBondContact O-N 3.16Å; Y685-D687 VanDerWaalsContact C-N 3.31Å; Y685-D687 PolarHBondContact O-N 3.32Å; Y685-L688 WeakPolarHBondContact O-CB 3.27Å; Y685-L688 PolarHBondContact O-N 2.61Å; Y685-L688 VanDerWaalsContact O-N 3.07Å; Y685-V689 PolarHBondContact O-N 2.85Å; Y685-V689 VanDerWaalsContact O-N 3.14Å
686	H	47.7	Very low	52.3	Low	105 Å²	105	101.2 Å²	101.2	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-41.6	179.7	-166.8	-88.4	0	0	0	112	S683 R684 L688 S690	S683-H686 PolarHBondContact O-N 3.07Å; S683-H686 VanDerWaalsContact O-N 3.09Å; R684-H686 VanDerWaalsContact C-N 3.29Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.32Å; H686-S690 VanDerWaalsContact O-CB 3.27Å; H686-S690 WeakPolarHBondContact O-CB 3.44Å; H686-S690 PolarHBondContact O-N 2.92Å; H686-S690 PolarHBondContact O-OG 3.37Å
687	D	48.1	Very low	51.8	Low	95 Å²	95	101.1 Å²	101.1	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-71.6	-21.1	176.6	-75.1	-11.7	0	0	0	114	Y685 K691	Y685-D687 VanDerWaalsContact C-N 3.31Å; Y685-D687 PolarHBondContact O-N 3.32Å; D687-K691 VanDerWaalsContact O-CD 3.3Å; D687-K691 WeakPolarHBondContact O-CD 3.46Å; D687-K691 VanDerWaalsContact O-CG 3.24Å; D687-K691 WeakPolarHBondContact O-CG 3.46Å
688	L	48.1	Very low	51.6	Low	89 Å²	89	100 Å²	100	47%	0.466	51%	0.512	S	S	.	.	H	α-helix	trans	-81	-34.6	177.8	-83.9	158.6	0	0	0	111.9	Y685 H686 N694	Y685-L688 WeakPolarHBondContact O-CB 3.27Å; Y685-L688 PolarHBondContact O-N 2.61Å; Y685-L688 VanDerWaalsContact O-N 3.07Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.32Å; L688-N694 WeakPolarHBondContact O-CB 3.44Å
689	V	48.5	Very low	51.7	Low	62 Å²	62	99.7 Å²	99.7	38%	0.376	51%	0.512	S	S	.	.	H	α-helix	trans	-88.5	-36.4	-179.3	-179.4	0	0	0	0	112.1	Y685 K691	Y685-V689 PolarHBondContact O-N 2.85Å; Y685-V689 VanDerWaalsContact O-N 3.14Å; V689-K691 VanDerWaalsContact C-N 3.35Å; V689-K691 PolarHBondContact O-N 3.23Å
690	S	45.6	Very low	52.2	Low	71 Å²	71	102 Å²	102	50%	0.497	51%	0.513	S	S	.	.	S	Bend	trans	-75.9	-16.1	-178.9	59.7	0	0	0	0	114.6	H686 P692	H686-S690 VanDerWaalsContact O-CB 3.27Å; H686-S690 WeakPolarHBondContact O-CB 3.44Å; H686-S690 PolarHBondContact O-N 2.92Å; H686-S690 PolarHBondContact O-OG 3.37Å; S690-P692 WeakPolarHBondContact O-CD 3.31Å
691	K	45.6	Very low	52.7	Low	123 Å²	123	105.2 Å²	105.2	54%	0.535	53%	0.525	S	S	.	.	S	Bend	trans	-70.8	119.9	176.2	-84.4	176.5	-175	174.9	0	110.7	D687 V689 K693 N694 C695	D687-K691 VanDerWaalsContact O-CD 3.3Å; D687-K691 WeakPolarHBondContact O-CD 3.46Å; D687-K691 VanDerWaalsContact O-CG 3.24Å; D687-K691 WeakPolarHBondContact O-CG 3.46Å; V689-K691 VanDerWaalsContact C-N 3.35Å; V689-K691 PolarHBondContact O-N 3.23Å; K691-K693 PolarHBondContact O-N 3.37Å; K691-N694 PolarHBondContact O-N 2.91Å; K691-C695 PolarHBondContact O-N 3.18Å
692	P	49	Very low	53.5	Low	115 Å²	115	101 Å²	101	75%	0.747	50%	0.498	S	S	*	.	H	α-helix	trans	-60.9	-27.2	-173.8	21.5	-32.9	0	0	0	113.7	S690 N694 C695	S690-P692 WeakPolarHBondContact O-CD 3.31Å; P692-N694 VanDerWaalsContact C-N 3.32Å; P692-N694 PolarHBondContact O-N 2.92Å; P692-C695 PolarHBondContact O-N 3.27Å
693	K	46.9	Very low	55.2	Low	190 Å²	190	94.2 Å²	94.2	83%	0.826	47%	0.465	S	S	*	.	H	α-helix	trans	-67.2	-27.4	174.9	-69.4	-172.5	174.9	-175.7	0	113.8	K691	K691-K693 PolarHBondContact O-N 3.37Å
694	N	46.4	Very low	56.9	Low	84 Å²	84	96.6 Å²	96.6	45%	0.449	47%	0.473	S	S	.	.	H	α-helix	trans	-96.4	-4.7	177.6	-77.4	23.9	0	0	0	113.2	L688 K691 P692 L696 P697	L688-N694 WeakPolarHBondContact O-CB 3.44Å; K691-N694 PolarHBondContact O-N 2.91Å; P692-N694 VanDerWaalsContact C-N 3.32Å; P692-N694 PolarHBondContact O-N 2.92Å; N694-L696 VanDerWaalsContact C-N 3.26Å; N694-L696 PolarHBondContact O-N 2.9Å; N694-P697 VanDerWaalsContact O-CD 3.27Å; N694-P697 WeakPolarHBondContact O-CD 3.07Å; N694-P697 VanDerWaalsContact O-CG 3.28Å; N694-P697 WeakPolarHBondContact O-CG 3.42Å
695	C	52.1	Low	58.5	Low	35 Å²	35	88.2 Å²	88.2	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-71.2	-23.7	172.4	-166	0	0	0	0	112.2	K691 P692 L698 V699	K691-C695 PolarHBondContact O-N 3.18Å; P692-C695 PolarHBondContact O-N 3.27Å; C695-L698 WeakPolarHBondContact O-CB 3.41Å; C695-L698 PolarHBondContact O-N 2.84Å; C695-L698 VanDerWaalsContact O-N 3.09Å; C695-V699 WeakPolarHBondContact O-CG2 3.46Å; C695-V699 PolarHBondContact O-N 3.32Å
696	L	51.4	Low	60.2	Low	107 Å²	107	81 Å²	81	56%	0.56	42%	0.421	S	S	*	.	H	α-helix	trans	-53.8	-52.3	-178.5	-156.1	85.3	0	0	0	114	N694 L698 V699 W700	N694-L696 VanDerWaalsContact C-N 3.26Å; N694-L696 PolarHBondContact O-N 2.9Å; L696-L698 PolarHBondContact O-N 3.29Å; L696-V699 WeakPolarHBondContact O-CB 3.43Å; L696-V699 PolarHBondContact O-N 2.94Å; L696-V699 VanDerWaalsContact O-N 3.13Å; L696-W700 PolarHBondContact O-N 2.95Å; L696-W700 VanDerWaalsContact O-N 3.14Å
697	P	54.1	Low	61.9	Low	72 Å²	72	77.9 Å²	77.9	47%	0.468	41%	0.414	S	S	.	.	H	α-helix	trans	-60	-29.3	176.2	22	-34.8	0	0	0	113.9	N694 W700 I701	N694-P697 VanDerWaalsContact O-CD 3.27Å; N694-P697 WeakPolarHBondContact O-CD 3.07Å; N694-P697 VanDerWaalsContact O-CG 3.28Å; N694-P697 WeakPolarHBondContact O-CG 3.42Å; P697-W700 PolarHBondContact O-N 3.29Å; P697-I701 WeakPolarHBondContact O-CG1 3.4Å; P697-I701 PolarHBondContact O-N 3.47Å; P697-I701 VanDerWaalsContact O-N 3.1Å
698	L	59.4	Low	63.6	Low	52 Å²	52	78.1 Å²	78.1	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-68.6	-39.1	176.2	-141.1	73.5	0	0	0	111.5	I669 C695 L696 W700 I701 G702	I669-L698 HydrophobicContact CG2-CD2 3.6Å; I669-L698 HydrophobicContact CG2-CG 3.9Å; C695-L698 WeakPolarHBondContact O-CB 3.41Å; C695-L698 PolarHBondContact O-N 2.84Å; C695-L698 VanDerWaalsContact O-N 3.09Å; L696-L698 PolarHBondContact O-N 3.29Å; L698-W700 VanDerWaalsContact C-N 3.35Å; L698-I701 PolarHBondContact O-N 3.18Å; L698-G702 PolarHBondContact O-N 3.29Å
699	V	66.4	Low	65.1	Low	40 Å²	40	75.9 Å²	75.9	24%	0.242	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-44.4	173	-179.5	0	0	0	0	110.8	L619 W666 C695 L696 G702 Y703	L619-V699 HydrophobicContact CD2-CG2 4.18Å; W666-V699 HydrophobicContact CH2-CB 4.1Å; W666-V699 HydrophobicContact CH2-CG1 4.27Å; W666-V699 HydrophobicContact CH2-CG2 3.93Å; W666-V699 HydrophobicContact CZ2-CB 4.22Å; W666-V699 HydrophobicContact CZ2-CG1 3.97Å; W666-V699 HydrophobicContact CZ2-CG2 4.46Å; C695-V699 WeakPolarHBondContact O-CG2 3.46Å; C695-V699 PolarHBondContact O-N 3.32Å; L696-V699 WeakPolarHBondContact O-CB 3.43Å; L696-V699 PolarHBondContact O-N 2.94Å; L696-V699 VanDerWaalsContact O-N 3.13Å; V699-G702 PolarHBondContact O-N 3.21Å; V699-Y703 HydrophobicContact CG1-CD2 4.29Å; V699-Y703 HydrophobicContact CG1-CE2 4.4Å; V699-Y703 PolarHBondContact O-N 3.19Å
700	W	73.4	Confident	66.5	Low	169 Å²	169	73.2 Å²	73.2	64%	0.64	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-45.7	177.1	-76.9	106.5	0	0	0	112.1	L696 P697 L698 G702 Y703 L704	L696-W700 PolarHBondContact O-N 2.95Å; L696-W700 VanDerWaalsContact O-N 3.14Å; P697-W700 PolarHBondContact O-N 3.29Å; L698-W700 VanDerWaalsContact C-N 3.35Å; W700-G702 VanDerWaalsContact C-N 3.31Å; W700-G702 PolarHBondContact O-N 3.11Å; W700-Y703 PolarHBondContact O-N 3.34Å; W700-L704 WeakPolarHBondContact O-CB 3.18Å; W700-L704 PolarHBondContact O-N 3.29Å
701	I	74.1	Confident	68.2	Low	98 Å²	98	72.1 Å²	72.1	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-42.3	178.8	-68.2	163.5	0	0	0	111.6	P697 L698 Y703 S705	P697-I701 WeakPolarHBondContact O-CG1 3.4Å; P697-I701 PolarHBondContact O-N 3.47Å; P697-I701 VanDerWaalsContact O-N 3.1Å; L698-I701 PolarHBondContact O-N 3.18Å; I701-Y703 VanDerWaalsContact C-N 3.31Å; I701-Y703 PolarHBondContact O-N 3.04Å; I701-S705 WeakPolarHBondContact O-CB 3.42Å; I701-S705 PolarHBondContact O-N 3.45Å
702	G	73.5	Confident	69.7	Low	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-35	-178.8	0	0	0	0	0	114.5	S665 L698 V699 W700 P706	S665-G702 VanDerWaalsContact CB-O 3.3Å; S665-G702 WeakPolarHBondContact CB-O 3.08Å; L698-G702 PolarHBondContact O-N 3.29Å; V699-G702 PolarHBondContact O-N 3.21Å; W700-G702 VanDerWaalsContact C-N 3.31Å; W700-G702 PolarHBondContact O-N 3.11Å; G702-P706 VanDerWaalsContact O-CD 3.29Å; G702-P706 WeakPolarHBondContact O-CD 3.39Å; G702-P706 WeakPolarHBondContact O-CG 3.26Å
703	Y	85.6	Confident	70.7	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-100	-28.6	-179	-73.6	-71.2	0	0	0	114.5	N623 Y658 A662 W666 V699 W700 I701 A707	N623-Y703 PolarHBondContact OD1-OH 3.31Å; Y658-Y703 PolarHBondContact OH-O 3.01Å; A662-Y703 HydrophobicContact CB-CD1 4.1Å; A662-Y703 HydrophobicContact CB-CE1 4.28Å; W666-Y703 AromaticContact CE2-CE2 3.7Å; W666-Y703 AromaticContact CZ2-CD2 3.99Å; W666-Y703 HydrophobicContact CZ2-CD2 3.99Å; W666-Y703 AromaticContact CZ2-CE2 3.68Å; W666-Y703 HydrophobicContact CZ2-CE2 3.68Å; W666-Y703 AromaticContact NE1-CD2 3.53Å; W666-Y703 AromaticContact NE1-CE1 3.84Å; W666-Y703 AromaticContact NE1-CE2 3.18Å; W666-Y703 AromaticContact NE1-CZ 3.36Å; V699-Y703 HydrophobicContact CG1-CD2 4.29Å; V699-Y703 HydrophobicContact CG1-CE2 4.4Å; V699-Y703 PolarHBondContact O-N 3.19Å; W700-Y703 PolarHBondContact O-N 3.34Å; I701-Y703 VanDerWaalsContact C-N 3.31Å; I701-Y703 PolarHBondContact O-N 3.04Å; Y703-A707 PolarHBondContact O-N 2.57Å
704	L	83.4	Confident	71.7	Confident	92 Å²	92	59.3 Å²	59.3	48%	0.482	33%	0.325	S	S	.	.	H	α-helix	trans	-77.1	-40	-178	-176.7	63.9	0	0	0	112.5	W700 A707 I708	W700-L704 WeakPolarHBondContact O-CB 3.18Å; W700-L704 PolarHBondContact O-N 3.29Å; L704-A707 WeakPolarHBondContact O-CB 3.37Å; L704-A707 PolarHBondContact O-N 3.02Å; L704-A707 VanDerWaalsContact O-N 3.14Å; L704-I708 HydrophobicContact CD1-CD1 4.25Å; L704-I708 HydrophobicContact CD1-CG1 4.35Å; L704-I708 HydrophobicContact CG-CD1 3.97Å; L704-I708 HydrophobicContact CG-CG1 4.47Å; L704-I708 WeakPolarHBondContact O-CG1 3.1Å; L704-I708 PolarHBondContact O-N 3.12Å
705	S	81	Confident	72.7	Confident	49 Å²	49	58.3 Å²	58.3	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-49.3	177.8	162.3	0	0	0	0	112.6	I701 A707 I708 I709	I701-S705 WeakPolarHBondContact O-CB 3.42Å; I701-S705 PolarHBondContact O-N 3.45Å; S705-A707 VanDerWaalsContact C-N 3.32Å; S705-A707 PolarHBondContact O-N 2.98Å; S705-I708 PolarHBondContact O-N 3.05Å; S705-I709 WeakPolarHBondContact O-CD1 3.48Å; S705-I709 WeakPolarHBondContact O-CG1 3.43Å; S705-I709 PolarHBondContact O-N 2.99Å
706	P	83.3	Confident	73.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-38.6	172.1	-22.1	29	0	0	0	114.1	Y658 L661 A662 G702 I709 I710	Y658-P706 HydrophobicContact CD2-CB 3.97Å; Y658-P706 HydrophobicContact CE2-CB 3.77Å; L661-P706 HydrophobicContact CB-CB 4.12Å; L661-P706 HydrophobicContact CD2-CB 3.94Å; L661-P706 HydrophobicContact CG-CB 3.84Å; L661-P706 HydrophobicContact CG-CG 4.32Å; A662-P706 HydrophobicContact CB-CB 4.42Å; A662-P706 HydrophobicContact CB-CG 3.99Å; G702-P706 VanDerWaalsContact O-CD 3.29Å; G702-P706 WeakPolarHBondContact O-CD 3.39Å; G702-P706 WeakPolarHBondContact O-CG 3.26Å; P706-I709 PolarHBondContact O-N 3.23Å; P706-I710 PolarHBondContact O-N 3.36Å
707	A	84.8	Confident	73.7	Confident	40 Å²	40	61.8 Å²	61.8	33%	0.331	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-41.6	-177.2	0	0	0	0	0	111.6	Y658 Y703 L704 S705 G711	Y658-A707 HydrophobicContact CE2-CB 3.89Å; Y703-A707 PolarHBondContact O-N 2.57Å; L704-A707 WeakPolarHBondContact O-CB 3.37Å; L704-A707 PolarHBondContact O-N 3.02Å; L704-A707 VanDerWaalsContact O-N 3.14Å; S705-A707 VanDerWaalsContact C-N 3.32Å; S705-A707 PolarHBondContact O-N 2.98Å; A707-G711 PolarHBondContact O-N 2.76Å
708	I	83.2	Confident	73.6	Confident	100 Å²	100	61.7 Å²	61.7	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-46.1	177	-65.8	168.3	0	0	0	110.5	L704 S705 I710 G711 T712	L704-I708 HydrophobicContact CD1-CD1 4.25Å; L704-I708 HydrophobicContact CD1-CG1 4.35Å; L704-I708 HydrophobicContact CG-CD1 3.97Å; L704-I708 HydrophobicContact CG-CG1 4.47Å; L704-I708 WeakPolarHBondContact O-CG1 3.1Å; L704-I708 PolarHBondContact O-N 3.12Å; S705-I708 PolarHBondContact O-N 3.05Å; I708-I710 VanDerWaalsContact C-N 3.34Å; I708-I710 PolarHBondContact O-N 2.8Å; I708-G711 PolarHBondContact O-N 3.17Å; I708-T712 WeakPolarHBondContact O-CG2 3.17Å; I708-T712 PolarHBondContact O-N 3.29Å; I708-T712 PolarHBondContact O-OG1 3.18Å
709	I	80.4	Confident	73.2	Confident	42 Å²	42	66.8 Å²	66.8	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-60.3	-43.5	-179.5	-65.9	164	0	0	0	111.4	L661 S705 P706 T712 W713 P739	L661-I709 HydrophobicContact CD2-CB 4.1Å; L661-I709 HydrophobicContact CD2-CD1 4.23Å; L661-I709 HydrophobicContact CD2-CG2 3.99Å; S705-I709 WeakPolarHBondContact O-CD1 3.48Å; S705-I709 WeakPolarHBondContact O-CG1 3.43Å; S705-I709 PolarHBondContact O-N 2.99Å; P706-I709 PolarHBondContact O-N 3.23Å; I709-T712 PolarHBondContact O-OG1 3.27Å; I709-T712 VanDerWaalsContact O-OG1 3.12Å; I709-W713 VanDerWaalsContact O-CB 3.25Å; I709-W713 WeakPolarHBondContact O-CB 3.42Å; I709-W713 PolarHBondContact O-N 3.48Å; I709-P739 HydrophobicContact CD1-CB 4.03Å; I709-P739 HydrophobicContact CG2-CG 4.42Å
710	I	78.2	Confident	72.3	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.036	37%	0.374	C	S	.	.	H	α-helix	trans	-81.9	-32.6	-176.3	-69.8	168.9	0	0	0	111.7	V654 C657 Y658 L661 P706 I708 W713 F714	V654-I710 HydrophobicContact CG1-CG2 4.19Å; C657-I710 VanDerWaalsContact C-CD1 3.47Å; C657-I710 HydrophobicContact CB-CD1 3.89Å; Y658-I710 HydrophobicContact CD2-CD1 4.3Å; L661-I710 HydrophobicContact CB-CD1 4.3Å; L661-I710 HydrophobicContact CD2-CD1 3.71Å; L661-I710 HydrophobicContact CD2-CG1 3.95Å; P706-I710 PolarHBondContact O-N 3.36Å; I708-I710 VanDerWaalsContact C-N 3.34Å; I708-I710 PolarHBondContact O-N 2.8Å; I710-W713 PolarHBondContact O-N 2.9Å; I710-F714 HydrophobicContact CG2-CD2 3.69Å; I710-F714 HydrophobicContact CG2-CE2 3.91Å; I710-F714 PolarHBondContact O-N 3.04Å
711	G	79.5	Confident	71	Confident	47 Å²	47	59.5 Å²	59.5	49%	0.485	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-46	174	0	0	0	0	0	112.7	A707 I708 W713 G715	A707-G711 PolarHBondContact O-N 2.76Å; I708-G711 PolarHBondContact O-N 3.17Å; G711-W713 VanDerWaalsContact C-N 3.32Å; G711-W713 PolarHBondContact O-N 2.85Å; G711-G715 PolarHBondContact O-N 3.31Å
712	T	76.9	Confident	69.5	Low	95 Å²	95	57.7 Å²	57.7	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-37.5	175.1	53.6	0	0	0	0	111.9	I708 I709 Y716	I708-T712 WeakPolarHBondContact O-CG2 3.17Å; I708-T712 PolarHBondContact O-N 3.29Å; I708-T712 PolarHBondContact O-OG1 3.18Å; I709-T712 PolarHBondContact O-OG1 3.27Å; I709-T712 VanDerWaalsContact O-OG1 3.12Å; T712-Y716 VanDerWaalsContact O-CB 3.28Å; T712-Y716 WeakPolarHBondContact O-CB 3.41Å; T712-Y716 PolarHBondContact O-N 3.42Å
713	W	70.7	Confident	68.1	Low	28 Å²	28	61 Å²	61	11%	0.106	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-61.3	176.2	168.7	-101.5	0	0	0	113.3	I709 I710 G711 G715 Y716 T717 P729 L732	I709-W713 VanDerWaalsContact O-CB 3.25Å; I709-W713 WeakPolarHBondContact O-CB 3.42Å; I709-W713 PolarHBondContact O-N 3.48Å; I710-W713 PolarHBondContact O-N 2.9Å; G711-W713 VanDerWaalsContact C-N 3.32Å; G711-W713 PolarHBondContact O-N 2.85Å; W713-G715 VanDerWaalsContact C-N 3.27Å; W713-G715 PolarHBondContact O-N 3.43Å; W713-Y716 PolarHBondContact O-N 3.27Å; W713-T717 HydrophobicContact CH2-CG2 4.39Å; W713-T717 HydrophobicContact CZ2-CG2 4.47Å; W713-T717 HydrophobicContact CZ3-CG2 4.42Å; W713-T717 PolarHBondContact O-N 2.87Å; W713-T717 PolarHBondContact O-OG1 2.91Å; W713-T717 VanDerWaalsContact O-OG1 3.09Å; W713-P729 HydrophobicContact CZ2-CB 4.16Å; W713-P729 HydrophobicContact CZ2-CG 3.81Å; W713-L732 HydrophobicContact CH2-CB 3.53Å; W713-L732 VanDerWaalsContact CH2-O 3.23Å; W713-L732 WeakPolarHBondContact CH2-O 3.27Å; W713-L732 HydrophobicContact CZ3-CB 3.6Å; W713-L732 HydrophobicContact CZ3-CD2 4.18Å; W713-L732 HydrophobicContact CZ3-CG 4.44Å; W713-L732 WeakPolarHBondContact CZ3-O 3.5Å
714	F	68.1	Low	66.3	Low	36 Å²	36	60.4 Å²	60.4	16%	0.158	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-33.5	-179.7	-85.8	-88.1	0	0	0	111.8	A653 V654 I710 V720	A653-F714 HydrophobicContact CB-CE1 4.33Å; A653-F714 HydrophobicContact CB-CZ 3.99Å; V654-F714 HydrophobicContact CB-CE2 4.28Å; V654-F714 HydrophobicContact CB-CZ 4.46Å; V654-F714 HydrophobicContact CG2-CD1 4.07Å; V654-F714 HydrophobicContact CG2-CD2 3.73Å; V654-F714 HydrophobicContact CG2-CE1 3.9Å; V654-F714 HydrophobicContact CG2-CE2 3.57Å; V654-F714 HydrophobicContact CG2-CG 4Å; V654-F714 HydrophobicContact CG2-CZ 3.65Å; I710-F714 HydrophobicContact CG2-CD2 3.69Å; I710-F714 HydrophobicContact CG2-CE2 3.91Å; I710-F714 PolarHBondContact O-N 3.04Å; F714-V720 HydrophobicContact CD1-CG2 4.28Å; F714-V720 HydrophobicContact CE1-CG2 4.04Å
715	G	67.9	Low	64.9	Low	64 Å²	64	59.5 Å²	59.5	66%	0.66	37%	0.369	S	S	*	.	H	α-helix	trans	-66.2	-36	175.7	0	0	0	0	0	113.9	G711 W713	G711-G715 PolarHBondContact O-N 3.31Å; W713-G715 VanDerWaalsContact C-N 3.27Å; W713-G715 PolarHBondContact O-N 3.43Å
716	Y	64.8	Low	63.7	Low	189 Å²	189	57.6 Å²	57.6	74%	0.741	36%	0.355	S	S	*	.	H	α-helix	trans	-77	-36.6	178.6	-175.4	-97.5	0	0	0	112.9	T712 W713 L732	T712-Y716 VanDerWaalsContact O-CB 3.28Å; T712-Y716 WeakPolarHBondContact O-CB 3.41Å; T712-Y716 PolarHBondContact O-N 3.42Å; W713-Y716 PolarHBondContact O-N 3.27Å; Y716-L732 HydrophobicContact CD1-CD1 4.04Å; Y716-L732 HydrophobicContact CE1-CD1 3.79Å
717	T	58.6	Low	62.3	Low	26 Å²	26	61.6 Å²	61.6	16%	0.16	38%	0.376	C	S	.	.	H	α-helix	trans	-80	-20.4	-171.9	49.3	0	0	0	0	114.8	W713 E719 P729 L732	W713-T717 HydrophobicContact CH2-CG2 4.39Å; W713-T717 HydrophobicContact CZ2-CG2 4.47Å; W713-T717 HydrophobicContact CZ3-CG2 4.42Å; W713-T717 PolarHBondContact O-N 2.87Å; W713-T717 PolarHBondContact O-OG1 2.91Å; W713-T717 VanDerWaalsContact O-OG1 3.09Å; T717-E719 PolarHBondContact O-N 3.22Å; T717-P729 HydrophobicContact CG2-CB 3.93Å; T717-P729 HydrophobicContact CG2-CG 3.81Å; T717-P729 WeakPolarHBondContact OG1-CG 3.26Å; T717-L732 HydrophobicContact CG2-CB 4.49Å; T717-L732 HydrophobicContact CG2-CD1 4.34Å
718	G	51.6	Low	60.8	Low	70 Å²	70	60.1 Å²	60.1	72%	0.722	36%	0.364	S	S	*	.			trans	67.4	-30.2	174.2	0	0	0	0	0	116.8
719	E	51.5	Low	59.3	Low	158 Å²	158	55.8 Å²	55.8	74%	0.738	34%	0.342	S	S	*	.			trans	-131.1	127.1	-172.1	-61.9	-174.2	161.7	0	0	111.1	T717	T717-E719 PolarHBondContact O-N 3.22Å
720	V	48.6	Very low	57.9	Low	39 Å²	39	60.6 Å²	60.6	24%	0.236	36%	0.362	C	S	.	.			trans	-83.7	136.6	169.8	-177.8	0	0	0	0	108.2	F714 N722	F714-V720 HydrophobicContact CD1-CG2 4.28Å; F714-V720 HydrophobicContact CE1-CG2 4.04Å; V720-N722 PolarHBondContact O-N 3.47Å
721	S	44.9	Very low	56.6	Low	17 Å²	17	66 Å²	66	12%	0.119	40%	0.395	C	S	.	.			trans	-64.4	112.4	177.1	-174	0	0	0	0	110	S723 G728 K730	S721-S723 PolarHBondContact O-N 3.02Å; S721-S723 WeakPolarHBondContact OG-CB 3.19Å; S721-S723 PolarHBondContact OG-OG 3.34Å; S721-G728 WeakPolarHBondContact CA-O 3.3Å; S721-G728 WeakPolarHBondContact CB-O 3.49Å; S721-G728 PolarHBondContact N-O 3.09Å; S721-K730 WeakPolarHBondContact OG-CE 3.19Å; S721-K730 WeakPolarHBondContact OG-CG 3.33Å
722	N	43.3	Very low	55.1	Low	61 Å²	61	66.7 Å²	66.7	33%	0.326	39%	0.387	S	S	.	.			trans	-79.6	35.8	-179.4	-137.1	104.9	0	0	0	112.2	K548 D643 V720 G724	K548-N722 PolarHBondContact NZ-ND2 3.17Å; D643-N722 PolarHBondContact OD1-ND2 3.05Å; V720-N722 PolarHBondContact O-N 3.47Å; N722-G724 VanDerWaalsContact C-N 3.25Å; N722-G724 PolarHBondContact O-N 2.81Å
723	S	43.8	Very low	54.1	Low	69 Å²	69	67.7 Å²	67.7	48%	0.483	38%	0.381	S	S	.	.	S	Bend	trans	-88.9	41	-172.2	49.9	0	0	0	0	112.8	S721 L725	S721-S723 PolarHBondContact O-N 3.02Å; S721-S723 WeakPolarHBondContact OG-CB 3.19Å; S721-S723 PolarHBondContact OG-OG 3.34Å; S723-L725 PolarHBondContact O-N 2.63Å
724	G	47.7	Very low	53.5	Low	39 Å²	39	75 Å²	75	40%	0.402	41%	0.408	S	S	.	.	S	Bend	trans	64.2	-22	177.2	0	0	0	0	0	116.9	N722	N722-G724 VanDerWaalsContact C-N 3.25Å; N722-G724 PolarHBondContact O-N 2.81Å
725	L	53.1	Low	53	Low	74 Å²	74	76.3 Å²	76.3	39%	0.387	42%	0.422	S	S	.	.	S	Bend	trans	-119.9	114.6	-179.3	-160.6	69.3	0	0	0	106	I638 S723 I727	I638-L725 HydrophobicContact CG2-CD1 3.76Å; I638-L725 HydrophobicContact CG2-CG 4.37Å; S723-L725 PolarHBondContact O-N 2.63Å; L725-I727 HydrophobicContact CB-CG1 4.44Å; L725-I727 HydrophobicContact CD2-CD1 3.47Å; L725-I727 VanDerWaalsContact CD2-CD1 3.47Å; L725-I727 HydrophobicContact CD2-CG1 4.22Å; L725-I727 HydrophobicContact CG-CD1 3.73Å; L725-I727 HydrophobicContact CG-CG1 3.94Å; L725-I727 PolarHBondContact O-N 3.47Å
726	C	56.7	Low	52.5	Low	8 Å²	8	75.4 Å²	75.4	5%	0.054	40%	0.4	C	S	.	.			trans	-70.8	55.2	-167.4	-61.3	0	0	0	0	114.4	T641 C649 A653	T641-C726 PolarHBondContact OG1-SG 3.03Å; C649-C726 WeakPolarHBondContact CA-SG 3.49Å; C649-C726 HydrophobicContact CB-CB 4.16Å; C649-C726 WeakPolarHBondContact CB-SG 3.35Å; C649-C726 WeakPolarHBondContact SG-CB 3.29Å; C649-C726 CovalentContact SG-SG 2.03Å; C649-C726 PolarHBondContact SG-SG 3.23Å; A653-C726 WeakPolarHBondContact CB-O 3.38Å
727	I	54.6	Low	52.5	Low	85 Å²	85	67 Å²	67	44%	0.436	37%	0.368	S	S	.	.			trans	-106.9	62.3	-173.4	-49.5	-173.4	0	0	0	109.9	L725 M803	L725-I727 HydrophobicContact CB-CG1 4.44Å; L725-I727 HydrophobicContact CD2-CD1 3.47Å; L725-I727 VanDerWaalsContact CD2-CD1 3.47Å; L725-I727 HydrophobicContact CD2-CG1 4.22Å; L725-I727 HydrophobicContact CG-CD1 3.73Å; L725-I727 HydrophobicContact CG-CG1 3.94Å; L725-I727 PolarHBondContact O-N 3.47Å; I727-M803 HydrophobicContact CD1-CE 4.12Å; I727-M803 HydrophobicContact CG2-CE 3.8Å
728	G	53	Low	53	Low	8 Å²	8	67.5 Å²	67.5	8%	0.082	38%	0.378	C	S	.	.			trans	55.5	-163.3	165.2	0	0	0	0	0	116.8	S721	S721-G728 WeakPolarHBondContact CA-O 3.3Å; S721-G728 WeakPolarHBondContact CB-O 3.49Å; S721-G728 PolarHBondContact N-O 3.09Å
729	P	51.9	Low	53.7	Low	9 Å²	9	66.4 Å²	66.4	6%	0.058	36%	0.358	C	S	.	.			trans	-76.1	142	177.1	-16.5	29.7	0	0	0	113.8	W713 T717	W713-P729 HydrophobicContact CZ2-CB 4.16Å; W713-P729 HydrophobicContact CZ2-CG 3.81Å; T717-P729 HydrophobicContact CG2-CB 3.93Å; T717-P729 HydrophobicContact CG2-CG 3.81Å; T717-P729 WeakPolarHBondContact OG1-CG 3.26Å
730	K	49.8	Very low	54.5	Low	144 Å²	144	59.3 Å²	59.3	63%	0.626	33%	0.325	S	S	*	.	S	Bend	trans	-66.8	-36.6	177.7	-74	-178.3	179.9	174.8	0	113.9	S721	S721-K730 WeakPolarHBondContact OG-CE 3.19Å; S721-K730 WeakPolarHBondContact OG-CG 3.33Å
731	T	50.8	Low	55.5	Low	120 Å²	120	59.3 Å²	59.3	74%	0.736	33%	0.326	S	S	*	.	S	Bend	trans	-83.9	-20.9	-151.1	46	0	0	0	0	116.3
732	L	48.2	Very low	56.7	Low	61 Å²	61	63.1 Å²	63.1	32%	0.319	35%	0.348	S	S	.	.			trans	-138.5	15.8	-152.5	-125.6	156.5	0	0	0	114.1	W713 Y716 T717 W734 S735	W713-L732 HydrophobicContact CH2-CB 3.53Å; W713-L732 VanDerWaalsContact CH2-O 3.23Å; W713-L732 WeakPolarHBondContact CH2-O 3.27Å; W713-L732 HydrophobicContact CZ3-CB 3.6Å; W713-L732 HydrophobicContact CZ3-CD2 4.18Å; W713-L732 HydrophobicContact CZ3-CG 4.44Å; W713-L732 WeakPolarHBondContact CZ3-O 3.5Å; Y716-L732 HydrophobicContact CD1-CD1 4.04Å; Y716-L732 HydrophobicContact CE1-CD1 3.79Å; T717-L732 HydrophobicContact CG2-CB 4.49Å; T717-L732 HydrophobicContact CG2-CD1 4.34Å; L732-W734 PolarHBondContact O-N 2.9Å; L732-S735 PolarHBondContact O-N 2.9Å
733	R	57.4	Low	57.8	Low	117 Å²	117	62.1 Å²	62.1	44%	0.442	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-37.2	-167.9	-62.1	-176.5	-173.1	169.6	1.4	114.6	S735 F736 L797	R733-S735 PolarHBondContact O-N 2.98Å; R733-S735 VanDerWaalsContact O-N 3.16Å; R733-F736 WeakPolarHBondContact O-CB 3.32Å; R733-F736 PolarHBondContact O-N 3.03Å; R733-F736 VanDerWaalsContact O-N 3.1Å; R733-L797 HydrophobicContact CB-CD2 3.98Å
734	W	56.3	Low	59	Low	181 Å²	181	59.4 Å²	59.4	69%	0.686	33%	0.325	S	S	*	.	H	α-helix	trans	-51.4	-30.3	177.2	-69.6	107.3	0	0	0	116	L732 F736 V737 G738	L732-W734 PolarHBondContact O-N 2.9Å; W734-F736 VanDerWaalsContact C-N 3.28Å; W734-F736 PolarHBondContact O-N 3.21Å; W734-V737 HydrophobicContact CE3-CB 4.2Å; W734-V737 HydrophobicContact CE3-CG1 4.24Å; W734-V737 HydrophobicContact CE3-CG2 4.27Å; W734-V737 HydrophobicContact CZ3-CG1 4.32Å; W734-V737 WeakPolarHBondContact O-CB 3.35Å; W734-V737 PolarHBondContact O-N 2.81Å; W734-V737 VanDerWaalsContact O-N 3.11Å; W734-G738 PolarHBondContact O-N 2.97Å; W734-G738 VanDerWaalsContact O-N 3.09Å
735	S	59.4	Low	60.1	Low	64 Å²	64	61 Å²	61	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-30.7	178.3	-164.7	0	0	0	0	112.6	L732 R733 P739	L732-S735 PolarHBondContact O-N 2.9Å; R733-S735 PolarHBondContact O-N 2.98Å; R733-S735 VanDerWaalsContact O-N 3.16Å; S735-P739 WeakPolarHBondContact O-CD 3.39Å
736	F	57.1	Low	60.9	Low	45 Å²	45	62.2 Å²	62.2	20%	0.197	33%	0.329	C	S	.	.	H	α-helix	trans	-72.7	-36.7	171.1	-174	-110.2	0	0	0	111.6	C657 L661 R733 W734 I740	C657-F736 HydrophobicContact CB-CE2 4.32Å; L661-F736 HydrophobicContact CD2-CE2 4.41Å; R733-F736 WeakPolarHBondContact O-CB 3.32Å; R733-F736 PolarHBondContact O-N 3.03Å; R733-F736 VanDerWaalsContact O-N 3.1Å; W734-F736 VanDerWaalsContact C-N 3.28Å; W734-F736 PolarHBondContact O-N 3.21Å; F736-I740 HydrophobicContact CD1-CD1 3.51Å; F736-I740 HydrophobicContact CD2-CD1 4.02Å; F736-I740 HydrophobicContact CE1-CD1 3.25Å; F736-I740 HydrophobicContact CE2-CD1 3.78Å; F736-I740 HydrophobicContact CG-CD1 3.9Å; F736-I740 HydrophobicContact CZ-CD1 3.4Å; F736-I740 VanDerWaalsContact CZ-CD1 3.4Å; F736-I740 WeakPolarHBondContact O-CD1 3.09Å; F736-I740 WeakPolarHBondContact O-CG1 3.09Å
737	V	64.4	Low	61.4	Low	13 Å²	13	61.9 Å²	61.9	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-41.7	-178.5	-172.7	0	0	0	0	112.1	W734 I740 T741 L797	W734-V737 HydrophobicContact CE3-CB 4.2Å; W734-V737 HydrophobicContact CE3-CG1 4.24Å; W734-V737 HydrophobicContact CE3-CG2 4.27Å; W734-V737 HydrophobicContact CZ3-CG1 4.32Å; W734-V737 WeakPolarHBondContact O-CB 3.35Å; W734-V737 PolarHBondContact O-N 2.81Å; W734-V737 VanDerWaalsContact O-N 3.11Å; V737-I740 PolarHBondContact O-N 2.94Å; V737-T741 WeakPolarHBondContact CG1-OG1 3.42Å; V737-T741 WeakPolarHBondContact O-CB 3.09Å; V737-T741 PolarHBondContact O-N 3Å; V737-T741 PolarHBondContact O-OG1 3Å; V737-L797 HydrophobicContact CB-CD1 4.38Å; V737-L797 HydrophobicContact CG1-CD1 4.02Å; V737-L797 HydrophobicContact CG2-CD1 3.4Å; V737-L797 VanDerWaalsContact CG2-CD1 3.4Å; V737-L797 HydrophobicContact CG2-CD2 3.43Å; V737-L797 VanDerWaalsContact CG2-CD2 3.43Å; V737-L797 HydrophobicContact CG2-CG 4.04Å
738	G	69.1	Low	62.1	Low	35 Å²	35	64.1 Å²	64.1	36%	0.361	33%	0.334	S	S	.	.	H	α-helix	trans	-54.4	-63.8	-176.2	0	0	0	0	0	113.7	W734 I740 T741 T742	W734-G738 PolarHBondContact O-N 2.97Å; W734-G738 VanDerWaalsContact O-N 3.09Å; G738-I740 VanDerWaalsContact C-N 3.33Å; G738-I740 PolarHBondContact O-N 2.88Å; G738-T741 PolarHBondContact O-N 3.38Å; G738-T742 PolarHBondContact O-N 3.08Å; G738-T742 PolarHBondContact O-OG1 2.99Å; G738-T742 VanDerWaalsContact O-OG1 3.11Å
739	P	66.7	Low	63.1	Low	47 Å²	47	67.4 Å²	67.4	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-40.7	-179.8	-25.2	35.2	0	0	0	113.4	I709 S735 T742 V743	I709-P739 HydrophobicContact CD1-CB 4.03Å; I709-P739 HydrophobicContact CG2-CG 4.42Å; S735-P739 WeakPolarHBondContact O-CD 3.39Å; P739-T742 PolarHBondContact O-N 2.84Å; P739-V743 WeakPolarHBondContact O-CG2 3.24Å; P739-V743 PolarHBondContact O-N 2.89Å
740	I	68	Low	63.8	Low	10 Å²	10	67.4 Å²	67.4	5%	0.051	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-46.1	178.6	-66	173.9	0	0	0	110.6	L661 F736 V737 G738 T742 V743 V744	L661-I740 HydrophobicContact CD1-CD1 4Å; L661-I740 HydrophobicContact CD1-CG1 3.62Å; F736-I740 HydrophobicContact CD1-CD1 3.51Å; F736-I740 HydrophobicContact CD2-CD1 4.02Å; F736-I740 HydrophobicContact CE1-CD1 3.25Å; F736-I740 HydrophobicContact CE2-CD1 3.78Å; F736-I740 HydrophobicContact CG-CD1 3.9Å; F736-I740 HydrophobicContact CZ-CD1 3.4Å; F736-I740 VanDerWaalsContact CZ-CD1 3.4Å; F736-I740 WeakPolarHBondContact O-CD1 3.09Å; F736-I740 WeakPolarHBondContact O-CG1 3.09Å; V737-I740 PolarHBondContact O-N 2.94Å; G738-I740 VanDerWaalsContact C-N 3.33Å; G738-I740 PolarHBondContact O-N 2.88Å; I740-T742 VanDerWaalsContact C-N 3.3Å; I740-T742 PolarHBondContact O-N 2.86Å; I740-V743 PolarHBondContact O-N 2.88Å; I740-V744 HydrophobicContact CG2-CG2 4.26Å; I740-V744 WeakPolarHBondContact O-CB 3.38Å; I740-V744 VanDerWaalsContact O-CG2 3.31Å; I740-V744 WeakPolarHBondContact O-CG2 3.37Å; I740-V744 PolarHBondContact O-N 3Å
741	T	69.3	Low	64.6	Low	39 Å²	39	61.5 Å²	61.5	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-39.9	177.7	-56.4	0	0	0	0	110.6	V737 G738 T745	V737-T741 WeakPolarHBondContact CG1-OG1 3.42Å; V737-T741 WeakPolarHBondContact O-CB 3.09Å; V737-T741 PolarHBondContact O-N 3Å; V737-T741 PolarHBondContact O-OG1 3Å; G738-T741 PolarHBondContact O-N 3.38Å; T741-T745 WeakPolarHBondContact O-CB 3.27Å; T741-T745 PolarHBondContact O-N 3.3Å; T741-T745 PolarHBondContact O-OG1 3.35Å
742	T	69.5	Low	65.5	Low	96 Å²	96	61.5 Å²	61.5	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-61.9	-50.4	174.9	-59.2	0	0	0	0	111.9	G738 P739 I740 V744 T745 F746	G738-T742 PolarHBondContact O-N 3.08Å; G738-T742 PolarHBondContact O-OG1 2.99Å; G738-T742 VanDerWaalsContact O-OG1 3.11Å; P739-T742 PolarHBondContact O-N 2.84Å; I740-T742 VanDerWaalsContact C-N 3.3Å; I740-T742 PolarHBondContact O-N 2.86Å; T742-V744 PolarHBondContact O-N 3.11Å; T742-T745 PolarHBondContact O-N 3.5Å; T742-F746 VanDerWaalsContact O-CB 3.3Å; T742-F746 WeakPolarHBondContact O-CB 3.15Å; T742-F746 PolarHBondContact O-N 3.29Å
743	V	67.6	Low	66.5	Low	40 Å²	40	61.7 Å²	61.7	24%	0.242	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-39.9	179.4	172.4	0	0	0	0	111.5	F668 P739 I740 N747	F668-V743 HydrophobicContact CB-CG1 3.85Å; F668-V743 HydrophobicContact CG-CG1 4.1Å; P739-V743 WeakPolarHBondContact O-CG2 3.24Å; P739-V743 PolarHBondContact O-N 2.89Å; I740-V743 PolarHBondContact O-N 2.88Å; V743-N747 WeakPolarHBondContact O-CB 3.42Å; V743-N747 PolarHBondContact O-N 2.96Å; V743-N747 PolarHBondContact O-ND2 3.17Å
744	V	67.9	Low	67.1	Low	13 Å²	13	56.2 Å²	56.2	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-71.5	-43.9	178.2	172.7	0	0	0	0	111.7	I740 T742 F746 N747 F748 Y790	I740-V744 HydrophobicContact CG2-CG2 4.26Å; I740-V744 WeakPolarHBondContact O-CB 3.38Å; I740-V744 VanDerWaalsContact O-CG2 3.31Å; I740-V744 WeakPolarHBondContact O-CG2 3.37Å; I740-V744 PolarHBondContact O-N 3Å; T742-V744 PolarHBondContact O-N 3.11Å; V744-F746 VanDerWaalsContact C-N 3.3Å; V744-F746 PolarHBondContact O-N 3.2Å; V744-N747 PolarHBondContact O-N 2.79Å; V744-F748 WeakPolarHBondContact O-CB 3.37Å; V744-F748 PolarHBondContact O-N 3.06Å; V744-Y790 HydrophobicContact CB-CD2 4Å; V744-Y790 HydrophobicContact CB-CE2 3.89Å; V744-Y790 HydrophobicContact CB-CG 4.49Å; V744-Y790 HydrophobicContact CG1-CD1 3.83Å; V744-Y790 HydrophobicContact CG1-CD2 3.7Å; V744-Y790 HydrophobicContact CG1-CE1 3.9Å; V744-Y790 HydrophobicContact CG1-CE2 3.76Å; V744-Y790 HydrophobicContact CG1-CG 3.71Å; V744-Y790 HydrophobicContact CG2-CD2 3.7Å; V744-Y790 HydrophobicContact CG2-CE2 3.99Å; V744-Y790 HydrophobicContact CG2-CG 4.33Å
745	T	70.4	Confident	67.6	Low	72 Å²	72	48.8 Å²	48.8	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-43.9	176.7	-58.3	0	0	0	0	110.5	T741 T742 F748 V749	T741-T745 WeakPolarHBondContact O-CB 3.27Å; T741-T745 PolarHBondContact O-N 3.3Å; T741-T745 PolarHBondContact O-OG1 3.35Å; T742-T745 PolarHBondContact O-N 3.5Å; T745-F748 PolarHBondContact O-N 3.18Å; T745-V749 WeakPolarHBondContact O-CG2 3.02Å; T745-V749 PolarHBondContact O-N 3.48Å
746	F	69.7	Low	68.1	Low	99 Å²	99	50 Å²	50	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-42.7	176.9	-170.1	-94.8	0	0	0	112.3	F668 L672 T742 V744 F748 V749 I750	F668-F746 HydrophobicContact CD2-CD1 4.27Å; F668-F746 AromaticContact CE2-CD1 3.44Å; F668-F746 HydrophobicContact CE2-CD1 3.44Å; F668-F746 VanDerWaalsContact CE2-CD1 3.44Å; F668-F746 AromaticContact CE2-CE1 3.57Å; F668-F746 HydrophobicContact CE2-CE1 3.57Å; F668-F746 HydrophobicContact CZ-CD1 4.19Å; F668-F746 HydrophobicContact CZ-CE1 4.11Å; L672-F746 HydrophobicContact CD2-CE1 4.07Å; T742-F746 VanDerWaalsContact O-CB 3.3Å; T742-F746 WeakPolarHBondContact O-CB 3.15Å; T742-F746 PolarHBondContact O-N 3.29Å; V744-F746 VanDerWaalsContact C-N 3.3Å; V744-F746 PolarHBondContact O-N 3.2Å; F746-F748 VanDerWaalsContact C-N 3.33Å; F746-F748 PolarHBondContact O-N 3.19Å; F746-V749 PolarHBondContact O-N 2.85Å; F746-I750 HydrophobicContact CD1-CD1 3.7Å; F746-I750 HydrophobicContact CD1-CG1 4.29Å; F746-I750 HydrophobicContact CE1-CD1 3.27Å; F746-I750 HydrophobicContact CE1-CG1 4.09Å; F746-I750 HydrophobicContact CZ-CD1 4.02Å; F746-I750 WeakPolarHBondContact O-CG1 3.3Å; F746-I750 PolarHBondContact O-N 2.86Å
747	N	67.8	Low	68.8	Low	2 Å²	2	50.4 Å²	50.4	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-38.3	172.1	-82.5	-54.7	0	0	0	112.8	V743 V744 I750 L751 L786	V743-N747 WeakPolarHBondContact O-CB 3.42Å; V743-N747 PolarHBondContact O-N 2.96Å; V743-N747 PolarHBondContact O-ND2 3.17Å; V744-N747 PolarHBondContact O-N 2.79Å; N747-I750 PolarHBondContact O-N 3.43Å; N747-L751 VanDerWaalsContact O-CB 3.29Å; N747-L751 WeakPolarHBondContact O-CB 3.48Å; N747-L751 WeakPolarHBondContact O-CG 3.46Å; N747-L751 PolarHBondContact O-N 2.97Å; N747-L786 HydrophobicContact CB-CD1 3.94Å
748	F	70.2	Confident	68.8	Low	132 Å²	132	51.6 Å²	51.6	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-41.6	176.3	-179.1	-94.3	0	0	0	111.5	V744 T745 F746 L751 F752	V744-F748 WeakPolarHBondContact O-CB 3.37Å; V744-F748 PolarHBondContact O-N 3.06Å; T745-F748 PolarHBondContact O-N 3.18Å; F746-F748 VanDerWaalsContact C-N 3.33Å; F746-F748 PolarHBondContact O-N 3.19Å; F748-L751 WeakPolarHBondContact O-CB 3.33Å; F748-L751 PolarHBondContact O-N 2.89Å; F748-F752 VanDerWaalsContact O-CB 3.27Å; F748-F752 WeakPolarHBondContact O-CB 3.35Å; F748-F752 PolarHBondContact O-N 2.78Å
749	V	72.8	Confident	68.7	Low	76 Å²	76	54.2 Å²	54.2	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-44.5	173.5	170.8	0	0	0	0	111	T745 F746 F752 V753	T745-V749 WeakPolarHBondContact O-CG2 3.02Å; T745-V749 PolarHBondContact O-N 3.48Å; F746-V749 PolarHBondContact O-N 2.85Å; V749-F752 PolarHBondContact O-N 3.36Å; V749-V753 WeakPolarHBondContact O-CG2 3.35Å; V749-V753 PolarHBondContact O-N 3.01Å
750	I	67.3	Low	68.7	Low	10 Å²	10	60.6 Å²	60.6	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-49.5	173.8	-75	-176.1	0	0	0	111	L672 L675 F746 N747 F752 V753 V754	L672-I750 HydrophobicContact CD2-CD1 3.92Å; L675-I750 HydrophobicContact CB-CG2 4.09Å; L675-I750 HydrophobicContact CD1-CG2 4.3Å; L675-I750 HydrophobicContact CD2-CD1 3.84Å; L675-I750 HydrophobicContact CD2-CG1 3.98Å; L675-I750 HydrophobicContact CD2-CG2 4.44Å; F746-I750 HydrophobicContact CD1-CD1 3.7Å; F746-I750 HydrophobicContact CD1-CG1 4.29Å; F746-I750 HydrophobicContact CE1-CD1 3.27Å; F746-I750 HydrophobicContact CE1-CG1 4.09Å; F746-I750 HydrophobicContact CZ-CD1 4.02Å; F746-I750 WeakPolarHBondContact O-CG1 3.3Å; F746-I750 PolarHBondContact O-N 2.86Å; N747-I750 PolarHBondContact O-N 3.43Å; I750-F752 VanDerWaalsContact C-N 3.3Å; I750-F752 PolarHBondContact O-N 2.87Å; I750-V753 PolarHBondContact O-N 2.98Å; I750-V754 HydrophobicContact CG2-CG2 4.36Å; I750-V754 WeakPolarHBondContact O-CB 3.05Å; I750-V754 VanDerWaalsContact O-CG2 3.3Å; I750-V754 WeakPolarHBondContact O-CG2 3.33Å; I750-V754 PolarHBondContact O-N 3.15Å
751	L	66.2	Low	68.4	Low	19 Å²	19	64.2 Å²	64.2	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-43.6	176.6	-88.9	174.1	0	0	0	112.1	N747 F748 G755 L779 L782 M783 L786	N747-L751 VanDerWaalsContact O-CB 3.29Å; N747-L751 WeakPolarHBondContact O-CB 3.48Å; N747-L751 WeakPolarHBondContact O-CG 3.46Å; N747-L751 PolarHBondContact O-N 2.97Å; F748-L751 WeakPolarHBondContact O-CB 3.33Å; F748-L751 PolarHBondContact O-N 2.89Å; L751-G755 WeakPolarHBondContact O-CA 3.42Å; L751-G755 PolarHBondContact O-N 3.15Å; L751-L779 HydrophobicContact CD2-CD1 3.57Å; L751-L779 HydrophobicContact CD2-CG 4.04Å; L751-L782 HydrophobicContact CD2-CB 4.03Å; L751-L782 HydrophobicContact CD2-CD2 3.71Å; L751-L782 HydrophobicContact CD2-CG 3.97Å; L751-L782 HydrophobicContact CG-CD2 4.17Å; L751-L782 HydrophobicContact CG-CG 4.46Å; L751-M783 HydrophobicContact CD1-CB 4.31Å; L751-M783 HydrophobicContact CD2-CB 4.4Å; L751-L786 HydrophobicContact CD1-CD1 3.78Å
752	F	69.4	Low	67.8	Low	121 Å²	121	70.9 Å²	70.9	53%	0.531	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-46	179.5	-177.4	-105.2	0	0	0	111.4	F748 V749 I750 G755 L756	F748-F752 VanDerWaalsContact O-CB 3.27Å; F748-F752 WeakPolarHBondContact O-CB 3.35Å; F748-F752 PolarHBondContact O-N 2.78Å; V749-F752 PolarHBondContact O-N 3.36Å; I750-F752 VanDerWaalsContact C-N 3.3Å; I750-F752 PolarHBondContact O-N 2.87Å; F752-G755 PolarHBondContact O-N 2.97Å; F752-L756 HydrophobicContact CD1-CD1 3.91Å; F752-L756 HydrophobicContact CD1-CG 4.48Å; F752-L756 HydrophobicContact CE1-CD1 3.43Å; F752-L756 VanDerWaalsContact CE1-CD1 3.43Å; F752-L756 HydrophobicContact CE1-CG 4.22Å; F752-L756 HydrophobicContact CE2-CD1 4.45Å; F752-L756 HydrophobicContact CE2-CG 4.45Å; F752-L756 HydrophobicContact CZ-CD1 3.74Å; F752-L756 HydrophobicContact CZ-CD2 4.45Å; F752-L756 HydrophobicContact CZ-CG 4.19Å; F752-L756 WeakPolarHBondContact O-CB 3.05Å; F752-L756 WeakPolarHBondContact O-CG 3.04Å; F752-L756 PolarHBondContact O-N 3.02Å
753	V	70.9	Confident	67.8	Low	64 Å²	64	71.5 Å²	71.5	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-47.8	175.1	170.7	0	0	0	0	111.2	V749 I750 L756 V757	V749-V753 WeakPolarHBondContact O-CG2 3.35Å; V749-V753 PolarHBondContact O-N 3.01Å; I750-V753 PolarHBondContact O-N 2.98Å; V753-L756 PolarHBondContact O-N 3.1Å; V753-V757 WeakPolarHBondContact O-CG2 3.07Å; V753-V757 PolarHBondContact O-N 2.95Å
754	V	68.3	Low	67.6	Low	3 Å²	3	74.9 Å²	74.9	2%	0.018	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-41.2	177.9	173.7	0	0	0	0	111.2	L675 I678 I750 V757 L758 L779	L675-V754 HydrophobicContact CD1-CG2 3.63Å; I678-V754 HydrophobicContact CD1-CB 4.49Å; I678-V754 HydrophobicContact CD1-CG1 3.4Å; I678-V754 HydrophobicContact CD1-CG2 4.27Å; I750-V754 HydrophobicContact CG2-CG2 4.36Å; I750-V754 WeakPolarHBondContact O-CB 3.05Å; I750-V754 VanDerWaalsContact O-CG2 3.3Å; I750-V754 WeakPolarHBondContact O-CG2 3.33Å; I750-V754 PolarHBondContact O-N 3.15Å; V754-V757 PolarHBondContact O-N 3.5Å; V754-L758 HydrophobicContact CG1-CG 4.35Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 2.94Å; V754-L779 HydrophobicContact CB-CD1 4.08Å; V754-L779 HydrophobicContact CG1-CD1 3.51Å; V754-L779 HydrophobicContact CG1-CD2 3.85Å; V754-L779 HydrophobicContact CG1-CG 4.33Å
755	G	68.1	Low	67	Low	25 Å²	25	77.1 Å²	77.1	26%	0.258	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-44	175.3	0	0	0	0	0	112.3	L751 F752 L758 L759	L751-G755 WeakPolarHBondContact O-CA 3.42Å; L751-G755 PolarHBondContact O-N 3.15Å; F752-G755 PolarHBondContact O-N 2.97Å; G755-L758 PolarHBondContact O-N 3.26Å; G755-L759 WeakPolarHBondContact O-CB 3.23Å; G755-L759 PolarHBondContact O-N 3.34Å
756	L	70.2	Confident	66.1	Low	88 Å²	88	84.6 Å²	84.6	46%	0.461	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-40.7	172.9	-75.3	179.5	0	0	0	112.2	F752 V753 R760	F752-L756 HydrophobicContact CD1-CD1 3.91Å; F752-L756 HydrophobicContact CD1-CG 4.48Å; F752-L756 HydrophobicContact CE1-CD1 3.43Å; F752-L756 VanDerWaalsContact CE1-CD1 3.43Å; F752-L756 HydrophobicContact CE1-CG 4.22Å; F752-L756 HydrophobicContact CE2-CD1 4.45Å; F752-L756 HydrophobicContact CE2-CG 4.45Å; F752-L756 HydrophobicContact CZ-CD1 3.74Å; F752-L756 HydrophobicContact CZ-CD2 4.45Å; F752-L756 HydrophobicContact CZ-CG 4.19Å; F752-L756 WeakPolarHBondContact O-CB 3.05Å; F752-L756 WeakPolarHBondContact O-CG 3.04Å; F752-L756 PolarHBondContact O-N 3.02Å; V753-L756 PolarHBondContact O-N 3.1Å; L756-R760 WeakPolarHBondContact O-CB 3Å; L756-R760 PolarHBondContact O-N 3.49Å
757	V	70.2	Confident	64.8	Low	55 Å²	55	89.3 Å²	89.3	33%	0.333	43%	0.43	S	S	.	.	H	α-helix	trans	-65.3	-46.4	176.4	169.4	0	0	0	0	111.1	I678 V753 V754 R760 N761	I678-V757 HydrophobicContact CG2-CG1 4.12Å; V753-V757 WeakPolarHBondContact O-CG2 3.07Å; V753-V757 PolarHBondContact O-N 2.95Å; V754-V757 PolarHBondContact O-N 3.5Å; V757-R760 PolarHBondContact O-N 3.24Å; V757-N761 VanDerWaalsContact O-CB 3.29Å; V757-N761 WeakPolarHBondContact O-CB 3.35Å; V757-N761 PolarHBondContact O-N 3.25Å; V757-N761 PolarHBondContact O-ND2 2.96Å
758	L	65.8	Low	63.7	Low	37 Å²	37	92 Å²	92	19%	0.194	45%	0.449	C	S	.	.	H	α-helix	trans	-66.2	-41.6	176.4	-68.3	-165.4	0	0	0	112.1	V754 G755 N761 Y762 F776 L779	V754-L758 HydrophobicContact CG1-CG 4.35Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 2.94Å; G755-L758 PolarHBondContact O-N 3.26Å; L758-N761 PolarHBondContact O-N 3.36Å; L758-Y762 VanDerWaalsContact O-CB 3.29Å; L758-Y762 WeakPolarHBondContact O-CB 3.45Å; L758-Y762 PolarHBondContact O-N 3.23Å; L758-F776 HydrophobicContact CD1-CD2 4.41Å; L758-L779 HydrophobicContact CD1-CD2 3.79Å; L758-L779 HydrophobicContact CG-CD2 4.49Å
759	L	65.4	Low	62.6	Low	91 Å²	91	95.2 Å²	95.2	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-44.9	176.4	178.5	62	0	0	0	111.1	G755 Y762 L763	G755-L759 WeakPolarHBondContact O-CB 3.23Å; G755-L759 PolarHBondContact O-N 3.34Å; L759-Y762 PolarHBondContact O-N 3.21Å; L759-L763 HydrophobicContact CD1-CD1 4.08Å; L759-L763 HydrophobicContact CD1-CG 4.1Å; L759-L763 HydrophobicContact CG-CD1 3.94Å; L759-L763 HydrophobicContact CG-CG 4.38Å; L759-L763 WeakPolarHBondContact O-CB 3.27Å; L759-L763 VanDerWaalsContact O-CG 3.26Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.48Å
760	R	68.5	Low	61.1	Low	181 Å²	181	98.3 Å²	98.3	68%	0.683	48%	0.476	S	S	*	.	H	α-helix	trans	-60.2	-46.8	173.8	-175.5	179.8	-178.6	-170.2	0.3	110.8	L756 V757 Y762 L763 V764	L756-R760 WeakPolarHBondContact O-CB 3Å; L756-R760 PolarHBondContact O-N 3.49Å; V757-R760 PolarHBondContact O-N 3.24Å; R760-Y762 VanDerWaalsContact C-N 3.3Å; R760-Y762 PolarHBondContact O-N 2.84Å; R760-L763 PolarHBondContact O-N 2.83Å; R760-V764 HydrophobicContact CG-CG2 4.37Å; R760-V764 VanDerWaalsContact O-CB 3.31Å; R760-V764 WeakPolarHBondContact O-CB 3.07Å; R760-V764 WeakPolarHBondContact O-CG2 3.33Å; R760-V764 PolarHBondContact O-N 3.23Å
761	N	61	Low	60.2	Low	85 Å²	85	104 Å²	104	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-37.1	176.9	-72.3	-12.5	0	0	0	111.8	V757 L758 T765	V757-N761 VanDerWaalsContact O-CB 3.29Å; V757-N761 WeakPolarHBondContact O-CB 3.35Å; V757-N761 PolarHBondContact O-N 3.25Å; V757-N761 PolarHBondContact O-ND2 2.96Å; L758-N761 PolarHBondContact O-N 3.36Å; N761-T765 WeakPolarHBondContact O-CA 3.27Å; N761-T765 WeakPolarHBondContact O-CB 3.29Å; N761-T765 PolarHBondContact O-N 2.89Å; N761-T765 PolarHBondContact O-OG1 3.35Å
762	Y	57.7	Low	59.4	Low	179 Å²	179	108.7 Å²	108.7	70%	0.702	53%	0.526	S	S	*	.	H	α-helix	trans	-68.3	-47.6	176	176.4	-97	0	0	0	112.4	L758 L759 R760 V764 T765	L758-Y762 VanDerWaalsContact O-CB 3.29Å; L758-Y762 WeakPolarHBondContact O-CB 3.45Å; L758-Y762 PolarHBondContact O-N 3.23Å; L759-Y762 PolarHBondContact O-N 3.21Å; R760-Y762 VanDerWaalsContact C-N 3.3Å; R760-Y762 PolarHBondContact O-N 2.84Å; Y762-V764 VanDerWaalsContact C-N 3.34Å; Y762-V764 PolarHBondContact O-N 2.87Å; Y762-T765 CarbonylContact O-C 3.55Å; Y762-T765 PolarHBondContact O-N 2.67Å
763	L	67.7	Low	58.6	Low	110 Å²	110	106.4 Å²	106.4	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-39.4	177.9	-71	171.9	0	0	0	112.1	L759 R760	L759-L763 HydrophobicContact CD1-CD1 4.08Å; L759-L763 HydrophobicContact CD1-CG 4.1Å; L759-L763 HydrophobicContact CG-CD1 3.94Å; L759-L763 HydrophobicContact CG-CG 4.38Å; L759-L763 WeakPolarHBondContact O-CB 3.27Å; L759-L763 VanDerWaalsContact O-CG 3.26Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.48Å; R760-L763 PolarHBondContact O-N 2.83Å
764	V	63.9	Low	57.7	Low	110 Å²	110	104.7 Å²	104.7	67%	0.667	51%	0.512	S	S	*	.	H	α-helix	trans	-73.8	-44.8	176.1	172.7	0	0	0	0	111.1	R760 Y762 R766	R760-V764 HydrophobicContact CG-CG2 4.37Å; R760-V764 VanDerWaalsContact O-CB 3.31Å; R760-V764 WeakPolarHBondContact O-CB 3.07Å; R760-V764 WeakPolarHBondContact O-CG2 3.33Å; R760-V764 PolarHBondContact O-N 3.23Å; Y762-V764 VanDerWaalsContact C-N 3.34Å; Y762-V764 PolarHBondContact O-N 2.87Å; V764-R766 PolarHBondContact O-N 2.7Å
765	T	56.6	Low	57	Low	61 Å²	61	108.7 Å²	108.7	37%	0.374	53%	0.531	S	S	.	.			trans	-93.7	66.3	-175	-34.6	0	0	0	0	111.5	N761 Y762 K767	N761-T765 WeakPolarHBondContact O-CA 3.27Å; N761-T765 WeakPolarHBondContact O-CB 3.29Å; N761-T765 PolarHBondContact O-N 2.89Å; N761-T765 PolarHBondContact O-OG1 3.35Å; Y762-T765 CarbonylContact O-C 3.55Å; Y762-T765 PolarHBondContact O-N 2.67Å; T765-K767 PolarHBondContact O-N 3.48Å
766	R	50.3	Low	56.4	Low	229 Å²	229	113.2 Å²	113.2	86%	0.864	54%	0.543	S	S	*	.			trans	-56.5	-6.4	-178.8	-87.1	-168.1	177.2	-167.5	-0	116	V764	V764-R766 PolarHBondContact O-N 2.7Å
767	K	42.8	Very low	55.8	Low	197 Å²	197	110.9 Å²	110.9	86%	0.857	53%	0.531	S	S	*	.			trans	-145	99.3	177.5	-67.6	-174.8	179.6	178.9	0	112.6	T765	T765-K767 PolarHBondContact O-N 3.48Å
768	S	44.2	Very low	55.3	Low	59 Å²	59	109 Å²	109	41%	0.413	52%	0.519	S	S	.	.			trans	-163.5	103.9	145.9	63.8	0	0	0	0	110.1	K772	S768-K772 PolarHBondContact OG-NZ 2.95Å
769	K	47.2	Very low	54.8	Low	200 Å²	200	108 Å²	108	87%	0.87	51%	0.514	S	S	*	.			trans	-69.1	159	160.4	-73.6	-176.7	175.4	-178.5	0	108.8
770	L	41.1	Very low	54.6	Low	140 Å²	140	106 Å²	106	73%	0.733	51%	0.506	S	S	*	.	S	Bend	trans	76.4	138.6	-174.2	-63	100.3	0	0	0	116.6	K772	L770-K772 VanDerWaalsContact C-N 3.32Å; L770-K772 PolarHBondContact O-N 3.5Å; L770-K772 VanDerWaalsContact O-N 3.13Å
771	N	48.7	Very low	54.4	Low	129 Å²	129	98 Å²	98	69%	0.69	48%	0.476	S	S	*	.	S	Bend	trans	64.2	0.8	168.8	-58.1	13.5	0	0	0	119.5
772	K	49.7	Very low	54.6	Low	118 Å²	118	94.4 Å²	94.4	51%	0.513	46%	0.457	S	S	.	.	S	Bend	trans	-103.8	-17.5	173.9	-67.1	174.6	-175.5	167.3	0	114.4	S768 L770 F776	S768-K772 PolarHBondContact OG-NZ 2.95Å; L770-K772 VanDerWaalsContact C-N 3.32Å; L770-K772 PolarHBondContact O-N 3.5Å; L770-K772 VanDerWaalsContact O-N 3.13Å; K772-F776 PolarHBondContact O-N 3.34Å
773	T	51.8	Low	54.7	Low	73 Å²	73	91.9 Å²	91.9	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-68	-36.9	179	39	0	0	0	0	112.7	F776 L777	T773-F776 PolarHBondContact O-N 3.29Å; T773-L777 WeakPolarHBondContact O-CB 3.41Å; T773-L777 VanDerWaalsContact O-CG 3.31Å; T773-L777 WeakPolarHBondContact O-CG 3.19Å; T773-L777 PolarHBondContact O-N 2.78Å
774	T	52.4	Low	54.6	Low	28 Å²	28	89.8 Å²	89.8	17%	0.172	44%	0.442	C	S	.	.	H	α-helix	trans	-61.8	-47.5	179.9	54.9	0	0	0	0	112.1	F776 L777 V778 D826	T774-F776 VanDerWaalsContact C-N 3.34Å; T774-F776 PolarHBondContact O-N 2.87Å; T774-L777 PolarHBondContact O-N 2.94Å; T774-V778 WeakPolarHBondContact O-CB 3.27Å; T774-V778 VanDerWaalsContact O-CG2 3.23Å; T774-V778 WeakPolarHBondContact O-CG2 3.32Å; T774-V778 PolarHBondContact O-N 2.58Å; T774-D826 WeakPolarHBondContact CG2-OD1 3.44Å
775	H	53	Low	54.7	Low	88 Å²	88	84.7 Å²	84.7	41%	0.407	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-38.5	174.7	-74.3	-78.2	0	0	0	112.8	L779	H775-L779 WeakPolarHBondContact O-CB 3.29Å; H775-L779 PolarHBondContact O-N 2.75Å
776	F	56.3	Low	55.1	Low	120 Å²	120	82.1 Å²	82.1	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-69.5	-39.3	176.1	-176.1	-94.6	0	0	0	112.5	L758 K772 T773 T774 L779 T780	L758-F776 HydrophobicContact CD1-CD2 4.41Å; K772-F776 PolarHBondContact O-N 3.34Å; T773-F776 PolarHBondContact O-N 3.29Å; T774-F776 VanDerWaalsContact C-N 3.34Å; T774-F776 PolarHBondContact O-N 2.87Å; F776-L779 PolarHBondContact O-N 3.09Å; F776-T780 WeakPolarHBondContact CE1-OG1 3.48Å; F776-T780 WeakPolarHBondContact O-CB 3.48Å; F776-T780 PolarHBondContact O-N 3.26Å; F776-T780 PolarHBondContact O-OG1 3.37Å
777	L	57.8	Low	55.8	Low	39 Å²	39	72.7 Å²	72.7	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-44.2	174.5	-76.2	168.9	0	0	0	111.4	T773 T774 L779 T780 Q781 F825	T773-L777 WeakPolarHBondContact O-CB 3.41Å; T773-L777 VanDerWaalsContact O-CG 3.31Å; T773-L777 WeakPolarHBondContact O-CG 3.19Å; T773-L777 PolarHBondContact O-N 2.78Å; T774-L777 PolarHBondContact O-N 2.94Å; L777-L779 VanDerWaalsContact C-N 3.32Å; L777-L779 PolarHBondContact O-N 2.99Å; L777-T780 PolarHBondContact O-N 3.41Å; L777-Q781 VanDerWaalsContact O-CB 3.32Å; L777-Q781 WeakPolarHBondContact O-CB 3.29Å; L777-Q781 PolarHBondContact O-N 2.92Å; L777-F825 HydrophobicContact CD2-CB 4.34Å
778	V	58.8	Low	56.9	Low	14 Å²	14	65.2 Å²	65.2	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-36.6	174.3	169	0	0	0	0	111.6	F670 T774 Q781 L782	F670-V778 HydrophobicContact CE1-CG1 4.15Å; F670-V778 HydrophobicContact CZ-CG1 3.58Å; T774-V778 WeakPolarHBondContact O-CB 3.27Å; T774-V778 VanDerWaalsContact O-CG2 3.23Å; T774-V778 WeakPolarHBondContact O-CG2 3.32Å; T774-V778 PolarHBondContact O-N 2.58Å; V778-Q781 WeakPolarHBondContact O-CB 3.47Å; V778-L782 WeakPolarHBondContact O-CB 3.34Å; V778-L782 PolarHBondContact O-N 2.78Å
779	L	56.5	Low	57.9	Low	17 Å²	17	62.7 Å²	62.7	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-70.4	-41.4	174	-167.8	75.5	0	0	0	112.3	L751 V754 L758 H775 F776 L777 Q781 L782 M783	L751-L779 HydrophobicContact CD2-CD1 3.57Å; L751-L779 HydrophobicContact CD2-CG 4.04Å; V754-L779 HydrophobicContact CB-CD1 4.08Å; V754-L779 HydrophobicContact CG1-CD1 3.51Å; V754-L779 HydrophobicContact CG1-CD2 3.85Å; V754-L779 HydrophobicContact CG1-CG 4.33Å; L758-L779 HydrophobicContact CD1-CD2 3.79Å; L758-L779 HydrophobicContact CG-CD2 4.49Å; H775-L779 WeakPolarHBondContact O-CB 3.29Å; H775-L779 PolarHBondContact O-N 2.75Å; F776-L779 PolarHBondContact O-N 3.09Å; L777-L779 VanDerWaalsContact C-N 3.32Å; L777-L779 PolarHBondContact O-N 2.99Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; L779-L782 WeakPolarHBondContact O-CB 3.3Å; L779-L782 PolarHBondContact O-N 3.19Å; L779-L782 VanDerWaalsContact O-N 3.11Å; L779-M783 PolarHBondContact O-N 2.82Å
780	T	59.7	Low	58.8	Low	49 Å²	49	55.2 Å²	55.2	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-40.9	176.8	-56.4	0	0	0	0	110.5	F776 L777 M783 L784	F776-T780 WeakPolarHBondContact CE1-OG1 3.48Å; F776-T780 WeakPolarHBondContact O-CB 3.48Å; F776-T780 PolarHBondContact O-N 3.26Å; F776-T780 PolarHBondContact O-OG1 3.37Å; L777-T780 PolarHBondContact O-N 3.41Å; T780-M783 PolarHBondContact O-N 2.87Å; T780-L784 WeakPolarHBondContact O-CB 3.34Å; T780-L784 PolarHBondContact O-N 2.94Å
781	Q	64.5	Low	59.9	Low	12 Å²	12	53.4 Å²	53.4	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-55.6	-52.9	167	-178.4	-160.2	-1.8	0	0	109.8	L777 V778 L779 M783 L784 T785 L821 V822	L777-Q781 VanDerWaalsContact O-CB 3.32Å; L777-Q781 WeakPolarHBondContact O-CB 3.29Å; L777-Q781 PolarHBondContact O-N 2.92Å; V778-Q781 WeakPolarHBondContact O-CB 3.47Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; Q781-M783 VanDerWaalsContact C-N 3.32Å; Q781-M783 PolarHBondContact O-N 2.94Å; Q781-L784 PolarHBondContact O-N 3.46Å; Q781-T785 WeakPolarHBondContact O-CB 3.37Å; Q781-T785 PolarHBondContact O-N 2.83Å; Q781-T785 PolarHBondContact O-OG1 2.98Å; Q781-L821 HydrophobicContact CB-CB 4.16Å; Q781-L821 HydrophobicContact CB-CD1 3.75Å; Q781-L821 HydrophobicContact CG-CB 4.25Å; Q781-L821 HydrophobicContact CG-CD1 4.12Å; Q781-V822 VanDerWaalsContact NE2-CG2 3.31Å
782	L	65.1	Low	60.6	Low	10 Å²	10	47.4 Å²	47.4	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-44	-179	-168.1	70.4	0	0	0	112	F670 L751 V778 L779 L786	F670-L782 HydrophobicContact CD1-CD1 3.68Å; F670-L782 HydrophobicContact CE1-CD1 3.99Å; L751-L782 HydrophobicContact CD2-CB 4.03Å; L751-L782 HydrophobicContact CD2-CD2 3.71Å; L751-L782 HydrophobicContact CD2-CG 3.97Å; L751-L782 HydrophobicContact CG-CD2 4.17Å; L751-L782 HydrophobicContact CG-CG 4.46Å; V778-L782 WeakPolarHBondContact O-CB 3.34Å; V778-L782 PolarHBondContact O-N 2.78Å; L779-L782 WeakPolarHBondContact O-CB 3.3Å; L779-L782 PolarHBondContact O-N 3.19Å; L779-L782 VanDerWaalsContact O-N 3.11Å; L782-L786 HydrophobicContact CD1-CD1 4.07Å; L782-L786 HydrophobicContact CG-CD1 3.89Å; L782-L786 VanDerWaalsContact O-CB 3.24Å; L782-L786 WeakPolarHBondContact O-CB 3.44Å; L782-L786 VanDerWaalsContact O-CG 3.32Å; L782-L786 WeakPolarHBondContact O-CG 3.5Å; L782-L786 PolarHBondContact O-N 3.1Å
783	M	61.7	Low	61.3	Low	126 Å²	126	43 Å²	43	62%	0.621	23%	0.228	S	C	*	.	H	α-helix	trans	-59.8	-56.7	175.9	-179.2	-167.6	164.7	0	0	112.2	L751 L779 T780 Q781 T785 L786 G787	L751-M783 HydrophobicContact CD1-CB 4.31Å; L751-M783 HydrophobicContact CD2-CB 4.4Å; L779-M783 PolarHBondContact O-N 2.82Å; T780-M783 PolarHBondContact O-N 2.87Å; Q781-M783 VanDerWaalsContact C-N 3.32Å; Q781-M783 PolarHBondContact O-N 2.94Å; M783-T785 VanDerWaalsContact C-N 3.32Å; M783-T785 PolarHBondContact O-N 2.05Å; M783-L786 PolarHBondContact O-N 2.87Å; M783-G787 PolarHBondContact O-N 2.82Å
784	L	64.9	Low	61.9	Low	66 Å²	66	44.6 Å²	44.6	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-35.5	-173.7	-165.5	63.4	0	0	0	111.7	T780 Q781 I788 L817 L821	T780-L784 WeakPolarHBondContact O-CB 3.34Å; T780-L784 PolarHBondContact O-N 2.94Å; Q781-L784 PolarHBondContact O-N 3.46Å; L784-I788 HydrophobicContact CD1-CD1 3.68Å; L784-I788 HydrophobicContact CD1-CG1 4.32Å; L784-I788 HydrophobicContact CG-CD1 3.81Å; L784-I788 WeakPolarHBondContact O-CG1 3.2Å; L784-I788 PolarHBondContact O-N 3.09Å; L784-L817 HydrophobicContact CD2-CD1 3.6Å; L784-L817 HydrophobicContact CD2-CD2 3.82Å; L784-L817 HydrophobicContact CD2-CG 4.21Å; L784-L817 HydrophobicContact CG-CD1 3.86Å; L784-L821 HydrophobicContact CD2-CD1 4.49Å
785	T	66	Low	62.2	Low	3 Å²	3	45.5 Å²	45.5	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-86.8	-5.7	-178	-39.8	0	0	0	0	113	K667 Q781 M783 T814 M818	K667-T785 VanDerWaalsContact NZ-CG2 3.25Å; K667-T785 PolarHBondContact NZ-O 3.2Å; Q781-T785 WeakPolarHBondContact O-CB 3.37Å; Q781-T785 PolarHBondContact O-N 2.83Å; Q781-T785 PolarHBondContact O-OG1 2.98Å; M783-T785 VanDerWaalsContact C-N 3.32Å; M783-T785 PolarHBondContact O-N 2.05Å; T785-T814 HydrophobicContact CG2-CG2 3.36Å; T785-M818 HydrophobicContact CG2-CG 3.3Å; T785-M818 HydrophobicContact CG2-SD 3.61Å
786	L	64.8	Low	62.3	Low	8 Å²	8	43.6 Å²	43.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-96.4	-44.3	165	-82.4	169.1	0	0	0	110.9	F664 K667 N747 L751 L782 M783 Y790	F664-L786 HydrophobicContact CD1-CD2 4.36Å; F664-L786 HydrophobicContact CE1-CD2 4.43Å; K667-L786 HydrophobicContact CB-CD2 4.12Å; K667-L786 HydrophobicContact CD-CD2 3.93Å; N747-L786 HydrophobicContact CB-CD1 3.94Å; L751-L786 HydrophobicContact CD1-CD1 3.78Å; L782-L786 HydrophobicContact CD1-CD1 4.07Å; L782-L786 HydrophobicContact CG-CD1 3.89Å; L782-L786 VanDerWaalsContact O-CB 3.24Å; L782-L786 WeakPolarHBondContact O-CB 3.44Å; L782-L786 VanDerWaalsContact O-CG 3.32Å; L782-L786 WeakPolarHBondContact O-CG 3.5Å; L782-L786 PolarHBondContact O-N 3.1Å; M783-L786 PolarHBondContact O-N 2.87Å; L786-Y790 VanDerWaalsContact O-CB 3.23Å; L786-Y790 WeakPolarHBondContact O-CB 3.27Å; L786-Y790 PolarHBondContact O-N 3.29Å
787	G	64.1	Low	62.3	Low	31 Å²	31	40 Å²	40	32%	0.32	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-48.2	-175	0	0	0	0	0	114.1	M783 Y790 I791	M783-G787 PolarHBondContact O-N 2.82Å; G787-Y790 PolarHBondContact O-N 2.97Å; G787-I791 WeakPolarHBondContact O-CG1 2.9Å; G787-I791 PolarHBondContact O-N 2.95Å
788	I	66.5	Low	62.3	Low	39 Å²	39	44.7 Å²	44.7	20%	0.2	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-51.1	-172.2	-69.2	170.5	0	0	0	112.8	L784 Y790 A792 A810 L813 L817	L784-I788 HydrophobicContact CD1-CD1 3.68Å; L784-I788 HydrophobicContact CD1-CG1 4.32Å; L784-I788 HydrophobicContact CG-CD1 3.81Å; L784-I788 WeakPolarHBondContact O-CG1 3.2Å; L784-I788 PolarHBondContact O-N 3.09Å; I788-Y790 VanDerWaalsContact C-N 3.29Å; I788-Y790 PolarHBondContact O-N 3.22Å; I788-A792 PolarHBondContact O-N 2.72Å; I788-A810 HydrophobicContact CG2-CB 3.77Å; I788-L813 HydrophobicContact CD1-CD2 3.92Å; I788-L813 HydrophobicContact CD1-CG 4.13Å; I788-L813 HydrophobicContact CG2-CD2 4.25Å; I788-L817 HydrophobicContact CD1-CD1 3.68Å
789	P	65.7	Low	62.1	Low	7 Å²	7	46.6 Å²	46.6	5%	0.045	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-34.3	174.6	-21.8	33.5	0	0	0	112.8	F664 A792 I793 T814	F664-P789 HydrophobicContact CZ-CB 4.24Å; P789-A792 WeakPolarHBondContact O-CB 3.03Å; P789-A792 PolarHBondContact O-N 3.17Å; P789-I793 VanDerWaalsContact O-CG1 3.25Å; P789-I793 WeakPolarHBondContact O-CG1 3.42Å; P789-I793 PolarHBondContact O-N 2.92Å; P789-T814 WeakPolarHBondContact CD-OG1 3.37Å; P789-T814 HydrophobicContact CG-CG2 3.65Å; P789-T814 VanDerWaalsContact CG-OG1 3.26Å; P789-T814 WeakPolarHBondContact CG-OG1 3.39Å
790	Y	67	Low	62	Low	42 Å²	42	47.9 Å²	47.9	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-70.6	-42.7	-176.7	176.5	-108.7	0	0	0	112.9	V744 L786 G787 I788 A792 I793 Y794	V744-Y790 HydrophobicContact CB-CD2 4Å; V744-Y790 HydrophobicContact CB-CE2 3.89Å; V744-Y790 HydrophobicContact CB-CG 4.49Å; V744-Y790 HydrophobicContact CG1-CD1 3.83Å; V744-Y790 HydrophobicContact CG1-CD2 3.7Å; V744-Y790 HydrophobicContact CG1-CE1 3.9Å; V744-Y790 HydrophobicContact CG1-CE2 3.76Å; V744-Y790 HydrophobicContact CG1-CG 3.71Å; V744-Y790 HydrophobicContact CG2-CD2 3.7Å; V744-Y790 HydrophobicContact CG2-CE2 3.99Å; V744-Y790 HydrophobicContact CG2-CG 4.33Å; L786-Y790 VanDerWaalsContact O-CB 3.23Å; L786-Y790 WeakPolarHBondContact O-CB 3.27Å; L786-Y790 PolarHBondContact O-N 3.29Å; G787-Y790 PolarHBondContact O-N 2.97Å; I788-Y790 VanDerWaalsContact C-N 3.29Å; I788-Y790 PolarHBondContact O-N 3.22Å; Y790-A792 VanDerWaalsContact C-N 3.25Å; Y790-A792 PolarHBondContact O-N 3.29Å; Y790-I793 CarbonylContact O-C 3.28Å; Y790-I793 PolarHBondContact O-N 3.3Å; Y790-I793 VanDerWaalsContact O-N 3.13Å; Y790-Y794 PolarHBondContact O-N 2.83Å
791	I	64.1	Low	61.7	Low	103 Å²	103	47.6 Å²	47.6	53%	0.528	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-41.8	172.1	-66.5	-63.9	0	0	0	109.9	G787 I793 Y794 I795	G787-I791 WeakPolarHBondContact O-CG1 2.9Å; G787-I791 PolarHBondContact O-N 2.95Å; I791-I793 PolarHBondContact O-N 3.24Å; I791-Y794 PolarHBondContact O-N 2.82Å; I791-I795 HydrophobicContact CG2-CD1 3.76Å; I791-I795 WeakPolarHBondContact O-CB 3.4Å; I791-I795 WeakPolarHBondContact O-CD1 3.43Å; I791-I795 VanDerWaalsContact O-CG1 3.23Å; I791-I795 WeakPolarHBondContact O-CG1 3.47Å; I791-I795 PolarHBondContact O-N 2.68Å
792	A	62.6	Low	61.5	Low	2 Å²	2	49.6 Å²	49.6	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-38.5	174.4	0	0	0	0	0	113.2	I788 P789 Y790 Q796 V806 V807 A810	I788-A792 PolarHBondContact O-N 2.72Å; P789-A792 WeakPolarHBondContact O-CB 3.03Å; P789-A792 PolarHBondContact O-N 3.17Å; Y790-A792 VanDerWaalsContact C-N 3.25Å; Y790-A792 PolarHBondContact O-N 3.29Å; A792-Q796 WeakPolarHBondContact O-CB 3.48Å; A792-Q796 PolarHBondContact O-N 2.99Å; A792-V806 HydrophobicContact CB-CG1 3.96Å; A792-V807 HydrophobicContact CB-CG2 4.16Å; A792-A810 HydrophobicContact CB-CB 3.52Å
793	I	65	Low	61.3	Low	27 Å²	27	50.7 Å²	50.7	14%	0.138	27%	0.267	C	S	.	.	H	α-helix	trans	-69.8	-31.6	175.1	-70.6	163.2	0	0	0	112.3	F664 P789 Y790 I791 Q796	F664-I793 HydrophobicContact CE2-CD1 3.51Å; F664-I793 HydrophobicContact CZ-CD1 3.59Å; P789-I793 VanDerWaalsContact O-CG1 3.25Å; P789-I793 WeakPolarHBondContact O-CG1 3.42Å; P789-I793 PolarHBondContact O-N 2.92Å; Y790-I793 CarbonylContact O-C 3.28Å; Y790-I793 PolarHBondContact O-N 3.3Å; Y790-I793 VanDerWaalsContact O-N 3.13Å; I791-I793 PolarHBondContact O-N 3.24Å; I793-Q796 WeakPolarHBondContact O-CB 3.48Å; I793-Q796 PolarHBondContact O-N 3.23Å
794	Y	63.2	Low	61.5	Low	105 Å²	105	47.7 Å²	47.7	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-74.3	-42.3	175.5	-152.3	-86.7	0	0	0	111.3	Y790 I791 Q796 L797	Y790-Y794 PolarHBondContact O-N 2.83Å; I791-Y794 PolarHBondContact O-N 2.82Å; Y794-Q796 PolarHBondContact O-N 3.12Å; Y794-L797 PolarHBondContact O-N 2.8Å
795	I	58.6	Low	61.7	Low	47 Å²	47	48.2 Å²	48.2	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-35.3	169.8	-73.3	169.9	0	0	0	111.4	I791 L797 L798 D799 T802 V806	I791-I795 HydrophobicContact CG2-CD1 3.76Å; I791-I795 WeakPolarHBondContact O-CB 3.4Å; I791-I795 WeakPolarHBondContact O-CD1 3.43Å; I791-I795 VanDerWaalsContact O-CG1 3.23Å; I791-I795 WeakPolarHBondContact O-CG1 3.47Å; I791-I795 PolarHBondContact O-N 2.68Å; I795-L797 PolarHBondContact O-N 3.43Å; I795-L797 VanDerWaalsContact O-N 3.12Å; I795-L798 PolarHBondContact O-N 2.89Å; I795-D799 PolarHBondContact O-N 3.43Å; I795-T802 HydrophobicContact CG2-CG2 3.19Å; I795-V806 HydrophobicContact CD1-CG1 4.37Å
796	Q	56.8	Low	61.9	Low	49 Å²	49	50.3 Å²	50.3	23%	0.229	27%	0.268	C	S	.	.	H	α-helix	trans	-53.9	-28.2	176.9	-145.9	-179.5	14.3	0	0	114.6	A792 I793 Y794 M803 V807	A792-Q796 WeakPolarHBondContact O-CB 3.48Å; A792-Q796 PolarHBondContact O-N 2.99Å; I793-Q796 WeakPolarHBondContact O-CB 3.48Å; I793-Q796 PolarHBondContact O-N 3.23Å; Y794-Q796 PolarHBondContact O-N 3.12Å; Q796-M803 HydrophobicContact CB-CG 4.27Å; Q796-M803 HydrophobicContact CG-CB 4.48Å; Q796-M803 HydrophobicContact CG-CE 3.57Å; Q796-M803 HydrophobicContact CG-CG 3.4Å; Q796-M803 HydrophobicContact CG-SD 3.25Å; Q796-M803 WeakPolarHBondContact CG-SD 3.43Å; Q796-M803 PolarHBondContact NE2-SD 2.04Å; Q796-V807 HydrophobicContact CG-CG2 4.16Å
797	L	55.3	Low	62.1	Low	44 Å²	44	51.4 Å²	51.4	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-89.7	-33.6	-177.7	-68.4	149.8	0	0	0	112.3	R733 V737 Y794 I795	R733-L797 HydrophobicContact CB-CD2 3.98Å; V737-L797 HydrophobicContact CB-CD1 4.38Å; V737-L797 HydrophobicContact CG1-CD1 4.02Å; V737-L797 HydrophobicContact CG2-CD1 3.4Å; V737-L797 VanDerWaalsContact CG2-CD1 3.4Å; V737-L797 HydrophobicContact CG2-CD2 3.43Å; V737-L797 VanDerWaalsContact CG2-CD2 3.43Å; V737-L797 HydrophobicContact CG2-CG 4.04Å; Y794-L797 PolarHBondContact O-N 2.8Å; I795-L797 PolarHBondContact O-N 3.43Å; I795-L797 VanDerWaalsContact O-N 3.12Å
798	L	58.3	Low	62.6	Low	138 Å²	138	50.7 Å²	50.7	72%	0.723	27%	0.265	S	S	*	.	H	α-helix	trans	-69.8	-39	180	-67.9	169.3	0	0	0	111.5	I795	I795-L798 PolarHBondContact O-N 2.89Å
799	D	53.7	Low	63.2	Low	54 Å²	54	51.3 Å²	51.3	29%	0.289	27%	0.27	S	S	.	.			trans	-151.2	131.9	-176.4	171.6	38.2	0	0	0	112.6	I795 F801 T802 M803	I795-D799 PolarHBondContact O-N 3.43Å; D799-F801 PolarHBondContact O-N 2.81Å; D799-F801 PolarHBondContact OD1-N 3.21Å; D799-F801 VanDerWaalsContact OD1-N 3.1Å; D799-F801 WeakPolarHBondContact OD2-CB 3.43Å; D799-F801 PolarHBondContact OD2-N 2.98Å; D799-T802 WeakPolarHBondContact OD2-CB 3.39Å; D799-T802 PolarHBondContact OD2-N 2.8Å; D799-T802 PolarHBondContact OD2-OG1 2.04Å; D799-M803 WeakPolarHBondContact O-CB 3.45Å; D799-M803 PolarHBondContact O-N 3.08Å
800	A	54.3	Low	63.7	Low	43 Å²	43	51.3 Å²	51.3	36%	0.355	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.7	179.5	0	0	0	0	0	113.8	M803	A800-M803 WeakPolarHBondContact O-CB 3.3Å
801	F	54.2	Low	64.2	Low	43 Å²	43	51.1 Å²	51.1	19%	0.189	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-44.8	171.9	-69.3	-64	0	0	0	115.3	H580 I581 D799 M803 L804 I805	H580-F801 VanDerWaalsContact CA-CE2 3.42Å; H580-F801 HydrophobicContact CB-CE2 3.72Å; H580-F801 HydrophobicContact CB-CZ 3.36Å; H580-F801 AromaticContact CD2-CE2 3.69Å; H580-F801 AromaticContact CE1-CE2 3.38Å; H580-F801 WeakPolarHBondContact CE1-CE2 3.38Å; H580-F801 AromaticContact CE1-CZ 3.76Å; H580-F801 AromaticContact CG-CE2 3.26Å; H580-F801 AromaticContact CG-CZ 3.28Å; H580-F801 AromaticContact ND1-CE2 3.09Å; H580-F801 WeakPolarHBondContact ND1-CE2 3.37Å; H580-F801 AromaticContact ND1-CZ 3Å; H580-F801 WeakPolarHBondContact ND1-CZ 3.45Å; H580-F801 AromaticContact NE2-CE2 3.77Å; I581-F801 HydrophobicContact CD1-CB 4.25Å; I581-F801 HydrophobicContact CD1-CD1 3.21Å; I581-F801 HydrophobicContact CD1-CD2 4.18Å; I581-F801 HydrophobicContact CD1-CE1 3.43Å; I581-F801 VanDerWaalsContact CD1-CE1 3.43Å; I581-F801 HydrophobicContact CD1-CE2 4.34Å; I581-F801 HydrophobicContact CD1-CG 3.6Å; I581-F801 HydrophobicContact CD1-CZ 3.98Å; I581-F801 HydrophobicContact CG1-CD1 3.93Å; I581-F801 HydrophobicContact CG1-CD2 4.27Å; I581-F801 HydrophobicContact CG1-CE1 3.72Å; I581-F801 HydrophobicContact CG1-CE2 4.05Å; I581-F801 HydrophobicContact CG1-CG 4.18Å; I581-F801 HydrophobicContact CG1-CZ 3.75Å; D799-F801 PolarHBondContact O-N 2.81Å; D799-F801 PolarHBondContact OD1-N 3.21Å; D799-F801 VanDerWaalsContact OD1-N 3.1Å; D799-F801 WeakPolarHBondContact OD2-CB 3.43Å; D799-F801 PolarHBondContact OD2-N 2.98Å; F801-M803 CarbonylContact O-C 3.5Å; F801-M803 PolarHBondContact O-N 3.3Å; F801-L804 PolarHBondContact O-N 3.19Å; F801-I805 PolarHBondContact O-N 2.75Å
802	T	59	Low	65.1	Low	54 Å²	54	46.4 Å²	46.4	33%	0.331	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-35.9	178.1	-48.4	0	0	0	0	108.7	I795 D799 L804 I805 V806	I795-T802 HydrophobicContact CG2-CG2 3.19Å; D799-T802 WeakPolarHBondContact OD2-CB 3.39Å; D799-T802 PolarHBondContact OD2-N 2.8Å; D799-T802 PolarHBondContact OD2-OG1 2.04Å; T802-L804 PolarHBondContact O-N 3.42Å; T802-I805 PolarHBondContact O-N 2.81Å; T802-V806 HydrophobicContact CG2-CB 4.2Å; T802-V806 HydrophobicContact CG2-CG2 3.47Å; T802-V806 VanDerWaalsContact CG2-CG2 3.47Å; T802-V806 VanDerWaalsContact O-CB 3.23Å; T802-V806 WeakPolarHBondContact O-CB 3.32Å; T802-V806 PolarHBondContact O-N 2.9Å
803	M	62.7	Low	66	Low	34 Å²	34	50.2 Å²	50.2	17%	0.167	27%	0.268	C	S	.	.	H	α-helix	trans	-22.3	-66.7	149.3	-122.6	-72.7	-154.7	0	0	116	I727 Q796 D799 A800 F801 I805 V807	I727-M803 HydrophobicContact CD1-CE 4.12Å; I727-M803 HydrophobicContact CG2-CE 3.8Å; Q796-M803 HydrophobicContact CB-CG 4.27Å; Q796-M803 HydrophobicContact CG-CB 4.48Å; Q796-M803 HydrophobicContact CG-CE 3.57Å; Q796-M803 HydrophobicContact CG-CG 3.4Å; Q796-M803 HydrophobicContact CG-SD 3.25Å; Q796-M803 WeakPolarHBondContact CG-SD 3.43Å; Q796-M803 PolarHBondContact NE2-SD 2.04Å; D799-M803 WeakPolarHBondContact O-CB 3.45Å; D799-M803 PolarHBondContact O-N 3.08Å; A800-M803 WeakPolarHBondContact O-CB 3.3Å; F801-M803 CarbonylContact O-C 3.5Å; F801-M803 PolarHBondContact O-N 3.3Å; M803-I805 PolarHBondContact O-N 2.97Å; M803-V807 WeakPolarHBondContact O-CB 3.43Å; M803-V807 WeakPolarHBondContact O-CG2 3.47Å; M803-V807 PolarHBondContact O-N 3.01Å
804	L	64	Low	66.8	Low	63 Å²	63	49 Å²	49	33%	0.33	26%	0.262	S	S	.	.	H	α-helix	trans	-79.6	-18.6	-164.8	-166	64.5	0	0	0	113	I589 F801 T802 P808	I589-L804 HydrophobicContact CG2-CB 4.37Å; I589-L804 HydrophobicContact CG2-CD2 3.63Å; I589-L804 HydrophobicContact CG2-CG 3.75Å; F801-L804 PolarHBondContact O-N 3.19Å; T802-L804 PolarHBondContact O-N 3.42Å; L804-P808 WeakPolarHBondContact O-CD 3.03Å; L804-P808 WeakPolarHBondContact O-CG 3.13Å
805	I	69.1	Low	67.7	Low	76 Å²	76	44.2 Å²	44.2	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-102.6	-48.9	178.7	-59.3	174.2	0	0	0	111	I589 F801 T802 M803 V809	I589-I805 HydrophobicContact CD1-CD1 3.99Å; I589-I805 HydrophobicContact CD1-CG1 4.4Å; I589-I805 HydrophobicContact CG1-CD1 3.94Å; I589-I805 HydrophobicContact CG1-CG1 4.1Å; I589-I805 HydrophobicContact CG2-CG1 3.97Å; F801-I805 PolarHBondContact O-N 2.75Å; T802-I805 PolarHBondContact O-N 2.81Å; M803-I805 PolarHBondContact O-N 2.97Å; I805-V809 VanDerWaalsContact O-CG2 3.24Å; I805-V809 WeakPolarHBondContact O-CG2 3.39Å; I805-V809 PolarHBondContact O-N 3.24Å
806	V	70	Confident	68.9	Low	48 Å²	48	44.5 Å²	44.5	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-76.8	-34.6	-172.8	177.9	0	0	0	0	111.9	A792 I795 T802 A810	A792-V806 HydrophobicContact CB-CG1 3.96Å; I795-V806 HydrophobicContact CD1-CG1 4.37Å; T802-V806 HydrophobicContact CG2-CB 4.2Å; T802-V806 HydrophobicContact CG2-CG2 3.47Å; T802-V806 VanDerWaalsContact CG2-CG2 3.47Å; T802-V806 VanDerWaalsContact O-CB 3.23Å; T802-V806 WeakPolarHBondContact O-CB 3.32Å; T802-V806 PolarHBondContact O-N 2.9Å; V806-A810 WeakPolarHBondContact O-CB 3.03Å; V806-A810 PolarHBondContact O-N 3.3Å
807	V	70.4	Confident	70	Confident	31 Å²	31	43.7 Å²	43.7	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-49.4	179.6	178.8	0	0	0	0	112.2	A792 Q796 M803 V809 A810 M811	A792-V807 HydrophobicContact CB-CG2 4.16Å; Q796-V807 HydrophobicContact CG-CG2 4.16Å; M803-V807 WeakPolarHBondContact O-CB 3.43Å; M803-V807 WeakPolarHBondContact O-CG2 3.47Å; M803-V807 PolarHBondContact O-N 3.01Å; V807-V809 PolarHBondContact O-N 2.99Å; V807-A810 PolarHBondContact O-N 3.47Å; V807-M811 HydrophobicContact CG1-CG 4.12Å; V807-M811 WeakPolarHBondContact O-CB 3.21Å; V807-M811 WeakPolarHBondContact O-CG 3.08Å; V807-M811 PolarHBondContact O-N 3.26Å
808	P	75.2	Confident	71	Confident	15 Å²	15	41.9 Å²	41.9	10%	0.097	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-41.3	177.1	-24.1	35.1	0	0	0	113	N593 F596 L804 M811 A812	N593-P808 WeakPolarHBondContact OD1-CB 3.39Å; N593-P808 WeakPolarHBondContact OD1-CG 3.33Å; F596-P808 HydrophobicContact CB-CB 3.98Å; L804-P808 WeakPolarHBondContact O-CD 3.03Å; L804-P808 WeakPolarHBondContact O-CG 3.13Å; P808-M811 PolarHBondContact O-N 3.32Å; P808-A812 WeakPolarHBondContact O-CB 3.36Å; P808-A812 PolarHBondContact O-N 2.99Å
809	V	78.3	Confident	72	Confident	53 Å²	53	37.5 Å²	37.5	32%	0.321	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-46.4	176.9	173	0	0	0	0	111.2	F596 I805 V807 M811 A812 L813	F596-V809 HydrophobicContact CD1-CG2 4.34Å; F596-V809 HydrophobicContact CD2-CG2 3.71Å; F596-V809 HydrophobicContact CE1-CG2 4.21Å; F596-V809 HydrophobicContact CE2-CG2 3.57Å; F596-V809 HydrophobicContact CG-CG2 4.11Å; F596-V809 HydrophobicContact CZ-CG2 3.84Å; I805-V809 VanDerWaalsContact O-CG2 3.24Å; I805-V809 WeakPolarHBondContact O-CG2 3.39Å; I805-V809 PolarHBondContact O-N 3.24Å; V807-V809 PolarHBondContact O-N 2.99Å; V809-M811 VanDerWaalsContact C-N 3.35Å; V809-M811 PolarHBondContact O-N 3.1Å; V809-A812 PolarHBondContact O-N 3.46Å; V809-L813 VanDerWaalsContact O-CB 3.25Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 PolarHBondContact O-N 3.36Å
810	A	75.5	Confident	73.1	Confident	7 Å²	7	38 Å²	38	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-39.9	177.7	0	0	0	0	0	112	I788 A792 V806 V807 T814	I788-A810 HydrophobicContact CG2-CB 3.77Å; A792-A810 HydrophobicContact CB-CB 3.52Å; V806-A810 WeakPolarHBondContact O-CB 3.03Å; V806-A810 PolarHBondContact O-N 3.3Å; V807-A810 PolarHBondContact O-N 3.47Å; A810-T814 WeakPolarHBondContact O-CB 3.31Å; A810-T814 PolarHBondContact O-N 3.39Å; A810-T814 PolarHBondContact O-OG1 3.22Å
811	M	78.2	Confident	74	Confident	37 Å²	37	36.9 Å²	36.9	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-43	177.1	-70.6	-73.6	-72.8	0	0	112	L628 V807 P808 V809 T814 A815	L628-M811 HydrophobicContact CD2-CE 3.7Å; L628-M811 HydrophobicContact CD2-SD 4.45Å; V807-M811 HydrophobicContact CG1-CG 4.12Å; V807-M811 WeakPolarHBondContact O-CB 3.21Å; V807-M811 WeakPolarHBondContact O-CG 3.08Å; V807-M811 PolarHBondContact O-N 3.26Å; P808-M811 PolarHBondContact O-N 3.32Å; V809-M811 VanDerWaalsContact C-N 3.35Å; V809-M811 PolarHBondContact O-N 3.1Å; M811-T814 WeakPolarHBondContact O-CB 3.24Å; M811-T814 PolarHBondContact O-N 2.94Å; M811-A815 PolarHBondContact O-N 3.22Å
812	A	82.3	Confident	74.8	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-48.1	174.7	0	0	0	0	0	111.5	F596 T600 P808 V809 T814 A815 V816	F596-A812 HydrophobicContact CB-CB 4.34Å; F596-A812 HydrophobicContact CD1-CB 3.76Å; T600-A812 WeakPolarHBondContact OG1-CA 3.38Å; T600-A812 WeakPolarHBondContact OG1-CB 3.22Å; T600-A812 PolarHBondContact OG1-N 3.14Å; P808-A812 WeakPolarHBondContact O-CB 3.36Å; P808-A812 PolarHBondContact O-N 2.99Å; V809-A812 PolarHBondContact O-N 3.46Å; A812-T814 VanDerWaalsContact C-N 3.29Å; A812-T814 PolarHBondContact O-N 2.9Å; A812-A815 PolarHBondContact O-N 3.02Å; A812-V816 WeakPolarHBondContact O-CG2 3.35Å; A812-V816 PolarHBondContact O-N 2.85Å
813	L	83	Confident	75.3	Confident	82 Å²	82	32.6 Å²	32.6	43%	0.429	18%	0.178	S	C	.	.	H	α-helix	trans	-58.1	-43.1	175.6	-178.1	55.4	0	0	0	111	I788 V809 V816 L817	I788-L813 HydrophobicContact CD1-CD2 3.92Å; I788-L813 HydrophobicContact CD1-CG 4.13Å; I788-L813 HydrophobicContact CG2-CD2 4.25Å; V809-L813 VanDerWaalsContact O-CB 3.25Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 PolarHBondContact O-N 3.36Å; L813-V816 PolarHBondContact O-N 3.19Å; L813-L817 HydrophobicContact CD1-CD1 3.75Å; L813-L817 HydrophobicContact CD1-CG 4.07Å; L813-L817 HydrophobicContact CG-CD1 3.74Å; L813-L817 HydrophobicContact CG-CG 4.48Å; L813-L817 VanDerWaalsContact O-CB 3.29Å; L813-L817 WeakPolarHBondContact O-CB 3.43Å; L813-L817 WeakPolarHBondContact O-CD1 3.37Å; L813-L817 WeakPolarHBondContact O-CG 3.26Å; L813-L817 PolarHBondContact O-N 2.9Å
814	T	80.1	Confident	75.5	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176.7	-62.8	0	0	0	0	112.3	T785 P789 A810 M811 A812 L817 M818	T785-T814 HydrophobicContact CG2-CG2 3.36Å; P789-T814 WeakPolarHBondContact CD-OG1 3.37Å; P789-T814 HydrophobicContact CG-CG2 3.65Å; P789-T814 VanDerWaalsContact CG-OG1 3.26Å; P789-T814 WeakPolarHBondContact CG-OG1 3.39Å; A810-T814 WeakPolarHBondContact O-CB 3.31Å; A810-T814 PolarHBondContact O-N 3.39Å; A810-T814 PolarHBondContact O-OG1 3.22Å; M811-T814 WeakPolarHBondContact O-CB 3.24Å; M811-T814 PolarHBondContact O-N 2.94Å; A812-T814 VanDerWaalsContact C-N 3.29Å; A812-T814 PolarHBondContact O-N 2.9Å; T814-L817 PolarHBondContact O-N 3.1Å; T814-M818 WeakPolarHBondContact O-CG 3.46Å; T814-M818 PolarHBondContact O-N 3.38Å
815	A	82.3	Confident	75.6	Confident	3 Å²	3	36.2 Å²	36.2	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-45.5	177.2	0	0	0	0	0	112.3	T600 A603 L604 M811 A812 M818 F819	T600-A815 HydrophobicContact CG2-CB 4Å; A603-A815 HydrophobicContact CB-CB 3.99Å; L604-A815 HydrophobicContact CD1-CB 4.48Å; L604-A815 HydrophobicContact CD2-CB 3.8Å; L604-A815 HydrophobicContact CG-CB 3.79Å; M811-A815 PolarHBondContact O-N 3.22Å; A812-A815 PolarHBondContact O-N 3.02Å; A815-M818 PolarHBondContact O-N 2.9Å; A815-F819 PolarHBondContact O-N 3.37Å; A815-F819 VanDerWaalsContact O-N 3.07Å
816	V	83.6	Confident	75.5	Confident	53 Å²	53	33 Å²	33	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-43.2	176.5	171.2	0	0	0	0	110.9	V599 A603 A812 L813 F819 L820	V599-V816 HydrophobicContact CG1-CG2 4.38Å; A603-V816 HydrophobicContact CB-CG2 4.18Å; A812-V816 WeakPolarHBondContact O-CG2 3.35Å; A812-V816 PolarHBondContact O-N 2.85Å; L813-V816 PolarHBondContact O-N 3.19Å; V816-F819 PolarHBondContact O-N 2.74Å; V816-L820 HydrophobicContact CG1-CD1 3.79Å; V816-L820 HydrophobicContact CG1-CG 4.21Å; V816-L820 WeakPolarHBondContact O-CG 3.17Å; V816-L820 PolarHBondContact O-N 2.77Å
817	L	80.6	Confident	75.1	Confident	32 Å²	32	35.4 Å²	35.4	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-37.4	178.2	-71.9	165.8	0	0	0	112.9	L784 I788 L813 T814 F819 L821	L784-L817 HydrophobicContact CD2-CD1 3.6Å; L784-L817 HydrophobicContact CD2-CD2 3.82Å; L784-L817 HydrophobicContact CD2-CG 4.21Å; L784-L817 HydrophobicContact CG-CD1 3.86Å; I788-L817 HydrophobicContact CD1-CD1 3.68Å; L813-L817 HydrophobicContact CD1-CD1 3.75Å; L813-L817 HydrophobicContact CD1-CG 4.07Å; L813-L817 HydrophobicContact CG-CD1 3.74Å; L813-L817 HydrophobicContact CG-CG 4.48Å; L813-L817 VanDerWaalsContact O-CB 3.29Å; L813-L817 WeakPolarHBondContact O-CB 3.43Å; L813-L817 WeakPolarHBondContact O-CD1 3.37Å; L813-L817 WeakPolarHBondContact O-CG 3.26Å; L813-L817 PolarHBondContact O-N 2.9Å; T814-L817 PolarHBondContact O-N 3.1Å; L817-F819 VanDerWaalsContact C-N 3.34Å; L817-L821 VanDerWaalsContact O-CB 3.27Å; L817-L821 WeakPolarHBondContact O-CB 3.3Å; L817-L821 VanDerWaalsContact O-CG 3.3Å; L817-L821 WeakPolarHBondContact O-CG 3.43Å; L817-L821 PolarHBondContact O-N 2.78Å
818	M	76.8	Confident	74.9	Confident	6 Å²	6	40 Å²	40	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-45.7	170.9	-73.7	-167.7	-63.9	0	0	111.4	L604 I624 L628 T785 T814 A815 V822	L604-M818 HydrophobicContact CD2-CE 3.51Å; I624-M818 HydrophobicContact CG2-SD 4.29Å; L628-M818 HydrophobicContact CD1-CE 3.8Å; T785-M818 HydrophobicContact CG2-CG 3.3Å; T785-M818 HydrophobicContact CG2-SD 3.61Å; T814-M818 WeakPolarHBondContact O-CG 3.46Å; T814-M818 PolarHBondContact O-N 3.38Å; A815-M818 PolarHBondContact O-N 2.9Å; M818-V822 WeakPolarHBondContact O-CB 3.43Å; M818-V822 WeakPolarHBondContact O-CG2 3.4Å; M818-V822 PolarHBondContact O-N 2.83Å
819	F	78.8	Confident	74.4	Confident	47 Å²	47	39.5 Å²	39.5	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-50.6	178.2	-178	-100.2	0	0	0	112	L606 F607 A815 V816 L817 A823	L606-F819 HydrophobicContact CB-CD2 4.31Å; L606-F819 HydrophobicContact CB-CE2 3.95Å; F607-F819 HydrophobicContact CB-CD2 4.15Å; A815-F819 PolarHBondContact O-N 3.37Å; A815-F819 VanDerWaalsContact O-N 3.07Å; V816-F819 PolarHBondContact O-N 2.74Å; L817-F819 VanDerWaalsContact C-N 3.34Å; F819-A823 HydrophobicContact CD2-CB 4.26Å; F819-A823 HydrophobicContact CE2-CB 4.03Å; F819-A823 HydrophobicContact CZ-CB 4.26Å; F819-A823 WeakPolarHBondContact O-CB 3.42Å; F819-A823 PolarHBondContact O-N 3.41Å
820	L	77.1	Confident	73.9	Confident	63 Å²	63	40.9 Å²	40.9	33%	0.33	20%	0.202	S	C	.	.	I	π-helix	trans	-62.9	-47.6	-179.1	-68.4	176.6	0	0	0	112.3	V816 V822 V824 F825	V816-L820 HydrophobicContact CG1-CD1 3.79Å; V816-L820 HydrophobicContact CG1-CG 4.21Å; V816-L820 WeakPolarHBondContact O-CG 3.17Å; V816-L820 PolarHBondContact O-N 2.77Å; L820-V822 PolarHBondContact O-N 2.95Å; L820-V824 HydrophobicContact CD2-CG2 4.07Å; L820-V824 WeakPolarHBondContact O-CA 3.25Å; L820-V824 WeakPolarHBondContact O-CB 3.46Å; L820-V824 PolarHBondContact O-N 3.25Å; L820-F825 HydrophobicContact CB-CD2 4.35Å; L820-F825 HydrophobicContact CB-CE2 4.36Å; L820-F825 WeakPolarHBondContact O-CD2 3.47Å; L820-F825 PolarHBondContact O-N 2.79Å
821	L	72.6	Confident	73.6	Confident	20 Å²	20	46.6 Å²	46.6	11%	0.105	23%	0.227	C	C	.	.	I	π-helix	trans	-67.5	-37.4	-175.1	-69.8	171.2	0	0	0	112.7	Q781 L784 L817 F825 D826	Q781-L821 HydrophobicContact CB-CB 4.16Å; Q781-L821 HydrophobicContact CB-CD1 3.75Å; Q781-L821 HydrophobicContact CG-CB 4.25Å; Q781-L821 HydrophobicContact CG-CD1 4.12Å; L784-L821 HydrophobicContact CD2-CD1 4.49Å; L817-L821 VanDerWaalsContact O-CB 3.27Å; L817-L821 WeakPolarHBondContact O-CB 3.3Å; L817-L821 VanDerWaalsContact O-CG 3.3Å; L817-L821 WeakPolarHBondContact O-CG 3.43Å; L817-L821 PolarHBondContact O-N 2.78Å; L821-F825 HydrophobicContact CD2-CB 4.46Å; L821-F825 HydrophobicContact CD2-CD2 3.88Å; L821-F825 HydrophobicContact CD2-CE2 4.47Å; L821-F825 HydrophobicContact CD2-CG 4.32Å; L821-D826 PolarHBondContact O-N 3.06Å
822	V	70.8	Confident	73.1	Confident	8 Å²	8	48.2 Å²	48.2	5%	0.048	24%	0.236	C	C	.	.	I	π-helix	trans	-85.1	-47.5	179.7	178.3	0	0	0	0	112.4	F607 F610 Q781 M818 L820 D826 N829	F607-V822 HydrophobicContact CE2-CB 3.82Å; F607-V822 HydrophobicContact CE2-CG1 4Å; F607-V822 HydrophobicContact CE2-CG2 3.91Å; F607-V822 HydrophobicContact CZ-CG2 4.43Å; F610-V822 HydrophobicContact CE1-CG1 4.32Å; Q781-V822 VanDerWaalsContact NE2-CG2 3.31Å; M818-V822 WeakPolarHBondContact O-CB 3.43Å; M818-V822 WeakPolarHBondContact O-CG2 3.4Å; M818-V822 PolarHBondContact O-N 2.83Å; L820-V822 PolarHBondContact O-N 2.95Å; V822-D826 WeakPolarHBondContact O-CB 3.5Å; V822-N829 WeakPolarHBondContact O-CB 3.14Å; V822-N829 PolarHBondContact O-ND2 3.4Å
823	A	69.1	Low	72.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-86.4	-27.5	-171.7	0	0	0	0	0	113.7	F610 F819 L833	F610-A823 HydrophobicContact CD1-CB 4.06Å; F610-A823 HydrophobicContact CD2-CB 3.74Å; F610-A823 HydrophobicContact CE1-CB 4.04Å; F610-A823 HydrophobicContact CE2-CB 3.77Å; F610-A823 HydrophobicContact CG-CB 3.94Å; F610-A823 HydrophobicContact CZ-CB 3.94Å; F819-A823 HydrophobicContact CD2-CB 4.26Å; F819-A823 HydrophobicContact CE2-CB 4.03Å; F819-A823 HydrophobicContact CZ-CB 4.26Å; F819-A823 WeakPolarHBondContact O-CB 3.42Å; F819-A823 PolarHBondContact O-N 3.41Å; A823-L833 HydrophobicContact CB-CD2 4.35Å; A823-L833 VanDerWaalsContact O-CD2 3.3Å; A823-L833 WeakPolarHBondContact O-CD2 3.41Å
824	V	66.8	Low	71.9	Confident	58 Å²	58	53 Å²	53	35%	0.352	25%	0.25	S	C	.	.	I	π-helix	trans	-112.5	-44.6	-170.7	-172.3	0	0	0	0	113.1	L820 R830 L833	L820-V824 HydrophobicContact CD2-CG2 4.07Å; L820-V824 WeakPolarHBondContact O-CA 3.25Å; L820-V824 WeakPolarHBondContact O-CB 3.46Å; L820-V824 PolarHBondContact O-N 3.25Å; V824-R830 WeakPolarHBondContact O-CD 3.49Å; V824-L833 HydrophobicContact CG2-CD2 4.43Å
825	F	66.5	Low	71.4	Confident	114 Å²	114	56.2 Å²	56.2	50%	0.5	27%	0.272	S	S	.	.	I	π-helix	trans	-82.1	-37.1	-177	-79.7	-75.9	0	0	0	114.1	L777 L820 L821 E827	L777-F825 HydrophobicContact CD2-CB 4.34Å; L820-F825 HydrophobicContact CB-CD2 4.35Å; L820-F825 HydrophobicContact CB-CE2 4.36Å; L820-F825 WeakPolarHBondContact O-CD2 3.47Å; L820-F825 PolarHBondContact O-N 2.79Å; L821-F825 HydrophobicContact CD2-CB 4.46Å; L821-F825 HydrophobicContact CD2-CD2 3.88Å; L821-F825 HydrophobicContact CD2-CE2 4.47Å; L821-F825 HydrophobicContact CD2-CG 4.32Å; F825-E827 PolarHBondContact O-N 2.86Å
826	D	66.8	Low	70.8	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.043	28%	0.283	C	S	.	.	S	Bend	trans	-64.4	118.2	174	-174	-5.9	0	0	0	109.8	T774 L821 V822 E828 N829 R830	T774-D826 WeakPolarHBondContact CG2-OD1 3.44Å; L821-D826 PolarHBondContact O-N 3.06Å; V822-D826 WeakPolarHBondContact O-CB 3.5Å; D826-E828 VanDerWaalsContact C-N 3.3Å; D826-E828 PolarHBondContact O-N 2.94Å; D826-E828 PolarHBondContact OD1-N 3.42Å; D826-N829 HydrophobicContact CB-CB 4.05Å; D826-N829 WeakPolarHBondContact CB-ND2 3.06Å; D826-N829 PolarHBondContact O-N 2.88Å; D826-N829 PolarHBondContact OD2-ND2 3.43Å; D826-R830 VanDerWaalsContact O-CB 3.26Å; D826-R830 WeakPolarHBondContact O-CB 3.34Å; D826-R830 PolarHBondContact O-N 2.98Å
827	E	63.2	Low	70.3	Confident	99 Å²	99	59.6 Å²	59.6	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-35.2	-170.7	-53.3	-154.9	101.2	0	0	112.1	F825 R830 H831	F825-E827 PolarHBondContact O-N 2.86Å; E827-R830 PolarHBondContact O-N 2.89Å; E827-R830 IonicContact OE1-CZ 2.74Å; E827-R830 IonicContact OE1-NH1 3.11Å; E827-R830 PolarHBondContact OE1-NH1 2.95Å; E827-R830 IonicContact OE1-NH2 3.51Å; E827-R830 PolarHBondContact OE1-NH2 3.39Å; E827-H831 PolarHBondContact O-CD2 2.69Å; E827-H831 PolarHBondContact O-N 3.15Å
828	E	64.7	Low	69.8	Low	129 Å²	129	65.4 Å²	65.4	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-63.6	-50.9	177.4	-171.5	171.6	178.3	0	0	110.1	D826 R830 H831 L832	D826-E828 VanDerWaalsContact C-N 3.3Å; D826-E828 PolarHBondContact O-N 2.94Å; D826-E828 PolarHBondContact OD1-N 3.42Å; E828-R830 PolarHBondContact O-N 3.17Å; E828-H831 PolarHBondContact O-N 3.17Å; E828-L832 PolarHBondContact O-N 2.86Å
829	N	65.8	Low	69.4	Low	4 Å²	4	68.9 Å²	68.9	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-35.4	178.7	-63.2	-18.1	0	0	0	112.7	F610 V616 V822 D826 H831 L832 L833	F610-N829 HydrophobicContact CE1-CB 4.26Å; F610-N829 HydrophobicContact CZ-CB 3.89Å; V616-N829 VanDerWaalsContact CG2-OD1 3.27Å; V616-N829 WeakPolarHBondContact CG2-OD1 3.17Å; V822-N829 WeakPolarHBondContact O-CB 3.14Å; V822-N829 PolarHBondContact O-ND2 3.4Å; D826-N829 HydrophobicContact CB-CB 4.05Å; D826-N829 WeakPolarHBondContact CB-ND2 3.06Å; D826-N829 PolarHBondContact O-N 2.88Å; D826-N829 PolarHBondContact OD2-ND2 3.43Å; N829-H831 VanDerWaalsContact C-N 3.3Å; N829-H831 PolarHBondContact O-N 3.14Å; N829-L832 PolarHBondContact O-N 3.08Å; N829-L833 WeakPolarHBondContact O-CB 3.34Å; N829-L833 PolarHBondContact O-N 2.98Å
830	R	68.4	Low	68.8	Low	82 Å²	82	72.3 Å²	72.3	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-35.9	177.9	-176.9	-179.6	66.6	-149.3	0.2	112.4	V824 D826 E827 E828 R834	V824-R830 WeakPolarHBondContact O-CD 3.49Å; D826-R830 VanDerWaalsContact O-CB 3.26Å; D826-R830 WeakPolarHBondContact O-CB 3.34Å; D826-R830 PolarHBondContact O-N 2.98Å; E827-R830 PolarHBondContact O-N 2.89Å; E827-R830 IonicContact OE1-CZ 2.74Å; E827-R830 IonicContact OE1-NH1 3.11Å; E827-R830 PolarHBondContact OE1-NH1 2.95Å; E827-R830 IonicContact OE1-NH2 3.51Å; E827-R830 PolarHBondContact OE1-NH2 3.39Å; E828-R830 PolarHBondContact O-N 3.17Å; R830-R834 PolarHBondContact O-N 2.77Å; R830-R834 VanDerWaalsContact O-N 3.07Å
831	H	67.2	Low	68	Low	127 Å²	127	74.1 Å²	74.1	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-68.4	-42.8	173.8	-79.9	-71.2	0	0	0	111.7	E827 E828 N829 R834 S835	E827-H831 PolarHBondContact O-CD2 2.69Å; E827-H831 PolarHBondContact O-N 3.15Å; E828-H831 PolarHBondContact O-N 3.17Å; N829-H831 VanDerWaalsContact C-N 3.3Å; N829-H831 PolarHBondContact O-N 3.14Å; H831-R834 PolarHBondContact O-N 3.22Å; H831-S835 WeakPolarHBondContact O-CB 3.04Å; H831-S835 PolarHBondContact O-N 2.95Å
832	L	68.7	Low	67.1	Low	71 Å²	71	75.1 Å²	75.1	37%	0.372	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-41.4	176.2	-60.5	170.9	0	0	0	111.7	I614 V616 E828 N829 S835 F836	I614-L832 HydrophobicContact CG2-CB 3.43Å; I614-L832 VanDerWaalsContact CG2-CB 3.43Å; V616-L832 HydrophobicContact CG2-CD1 4.17Å; E828-L832 PolarHBondContact O-N 2.86Å; N829-L832 PolarHBondContact O-N 3.08Å; L832-S835 WeakPolarHBondContact O-CB 3.45Å; L832-S835 PolarHBondContact O-N 3.49Å; L832-F836 PolarHBondContact O-N 2.95Å
833	L	67.8	Low	65.8	Low	32 Å²	32	85 Å²	85	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-59.2	-50.1	174.6	-177.6	55.9	0	0	0	111.8	F610 I614 A823 V824 N829 S835 F836 I837	F610-L833 HydrophobicContact CD2-CD1 4.01Å; F610-L833 HydrophobicContact CE2-CB 3.88Å; F610-L833 HydrophobicContact CE2-CD1 3.88Å; F610-L833 HydrophobicContact CE2-CG 4.29Å; I614-L833 HydrophobicContact CD1-CD1 4.11Å; A823-L833 HydrophobicContact CB-CD2 4.35Å; A823-L833 VanDerWaalsContact O-CD2 3.3Å; A823-L833 WeakPolarHBondContact O-CD2 3.41Å; V824-L833 HydrophobicContact CG2-CD2 4.43Å; N829-L833 WeakPolarHBondContact O-CB 3.34Å; N829-L833 PolarHBondContact O-N 2.98Å; L833-S835 VanDerWaalsContact C-N 3.34Å; L833-S835 PolarHBondContact O-N 3.15Å; L833-F836 PolarHBondContact O-N 2.98Å; L833-I837 HydrophobicContact CD1-CD1 3.87Å; L833-I837 HydrophobicContact CD1-CG1 4.25Å; L833-I837 HydrophobicContact CG-CD1 3.89Å; L833-I837 WeakPolarHBondContact O-CG1 3.4Å; L833-I837 PolarHBondContact O-N 2.88Å
834	R	71.7	Confident	64.4	Low	154 Å²	154	90 Å²	90	58%	0.581	44%	0.435	S	S	*	.	H	α-helix	trans	-59	-46.8	176.5	-81.3	-174.8	171.2	-157.4	-2.5	111	R830 H831 F836 I837 Y838	R830-R834 PolarHBondContact O-N 2.77Å; R830-R834 VanDerWaalsContact O-N 3.07Å; H831-R834 PolarHBondContact O-N 3.22Å; R834-F836 VanDerWaalsContact C-N 3.32Å; R834-F836 PolarHBondContact O-N 2.96Å; R834-I837 PolarHBondContact O-N 2.79Å; R834-Y838 HydrophobicContact CB-CD2 4.4Å; R834-Y838 HydrophobicContact CB-CE2 4.34Å; R834-Y838 WeakPolarHBondContact O-CD2 3.49Å; R834-Y838 PolarHBondContact O-N 2.95Å
835	S	70.7	Confident	63.3	Low	70 Å²	70	91.1 Å²	91.1	49%	0.49	45%	0.446	S	S	.	.	H	α-helix	trans	-56.1	-46.7	177.3	-170.3	0	0	0	0	111.7	H831 L832 L833 Y838 T839	H831-S835 WeakPolarHBondContact O-CB 3.04Å; H831-S835 PolarHBondContact O-N 2.95Å; L832-S835 WeakPolarHBondContact O-CB 3.45Å; L832-S835 PolarHBondContact O-N 3.49Å; L833-S835 VanDerWaalsContact C-N 3.34Å; L833-S835 PolarHBondContact O-N 3.15Å; S835-Y838 PolarHBondContact O-N 2.89Å; S835-T839 WeakPolarHBondContact O-CB 3.39Å; S835-T839 PolarHBondContact O-N 2.83Å; S835-T839 PolarHBondContact O-OG1 3.02Å
836	F	70.1	Confident	61.9	Low	57 Å²	57	92.3 Å²	92.3	25%	0.25	45%	0.453	C	S	.	.	H	α-helix	trans	-61.7	-47.9	177.6	-175.5	-94.3	0	0	0	112.5	I614 L832 L833 R834 Y838 T839 H840	I614-F836 HydrophobicContact CD1-CB 3.83Å; I614-F836 HydrophobicContact CD1-CD1 3.87Å; I614-F836 HydrophobicContact CD1-CD2 4.33Å; I614-F836 HydrophobicContact CD1-CG 3.74Å; I614-F836 HydrophobicContact CG1-CB 3.97Å; I614-F836 HydrophobicContact CG1-CD1 4.4Å; I614-F836 HydrophobicContact CG1-CD2 3.96Å; I614-F836 HydrophobicContact CG1-CG 3.84Å; L832-F836 PolarHBondContact O-N 2.95Å; L833-F836 PolarHBondContact O-N 2.98Å; R834-F836 VanDerWaalsContact C-N 3.32Å; R834-F836 PolarHBondContact O-N 2.96Å; F836-Y838 PolarHBondContact O-N 2.73Å; F836-T839 PolarHBondContact O-N 3.46Å; F836-T839 VanDerWaalsContact O-N 3.16Å; F836-H840 AromaticContact CD2-CE1 3.9Å; F836-H840 AromaticContact CD2-ND1 3.69Å; F836-H840 HydrophobicContact CE1-CB 4.38Å; F836-H840 AromaticContact CE2-CE1 3.52Å; F836-H840 AromaticContact CE2-CG 3.9Å; F836-H840 AromaticContact CE2-ND1 3.52Å; F836-H840 AromaticContact CE2-NE2 3.88Å; F836-H840 HydrophobicContact CZ-CB 4.35Å; F836-H840 AromaticContact CZ-CG 3.88Å; F836-H840 AromaticContact CZ-ND1 3.98Å; F836-H840 PolarHBondContact O-N 3.23Å
837	I	72.1	Confident	60.3	Low	70 Å²	70	102 Å²	102	36%	0.359	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-47.5	177.8	-70.6	169.4	0	0	0	111.1	L833 R834 T839 I841 A842	L833-I837 HydrophobicContact CD1-CD1 3.87Å; L833-I837 HydrophobicContact CD1-CG1 4.25Å; L833-I837 HydrophobicContact CG-CD1 3.89Å; L833-I837 WeakPolarHBondContact O-CG1 3.4Å; L833-I837 PolarHBondContact O-N 2.88Å; R834-I837 PolarHBondContact O-N 2.79Å; I837-T839 VanDerWaalsContact C-N 3.31Å; I837-T839 PolarHBondContact O-N 3.27Å; I837-I841 HydrophobicContact CG1-CD1 4.38Å; I837-I841 HydrophobicContact CG2-CB 4.42Å; I837-I841 HydrophobicContact CG2-CD1 4.3Å; I837-I841 WeakPolarHBondContact O-CA 3.29Å; I837-I841 WeakPolarHBondContact O-CB 3.11Å; I837-I841 PolarHBondContact O-N 3.3Å; I837-A842 PolarHBondContact O-N 3.08Å
838	Y	70.3	Confident	59	Low	155 Å²	155	101.7 Å²	101.7	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-34.7	176.6	-75.7	-63.1	0	0	0	112.5	R834 S835 F836 A842	R834-Y838 HydrophobicContact CB-CD2 4.4Å; R834-Y838 HydrophobicContact CB-CE2 4.34Å; R834-Y838 WeakPolarHBondContact O-CD2 3.49Å; R834-Y838 PolarHBondContact O-N 2.95Å; S835-Y838 PolarHBondContact O-N 2.89Å; F836-Y838 PolarHBondContact O-N 2.73Å; Y838-A842 HydrophobicContact CD1-CB 4.24Å; Y838-A842 WeakPolarHBondContact O-CB 3.17Å
839	T	67.6	Low	57.6	Low	79 Å²	79	98.8 Å²	98.8	49%	0.485	50%	0.5	S	S	.	.	H	α-helix	trans	-77	-36.3	-177.5	-51.7	0	0	0	0	112.9	S835 F836 I837 R843	S835-T839 WeakPolarHBondContact O-CB 3.39Å; S835-T839 PolarHBondContact O-N 2.83Å; S835-T839 PolarHBondContact O-OG1 3.02Å; F836-T839 PolarHBondContact O-N 3.46Å; F836-T839 VanDerWaalsContact O-N 3.16Å; I837-T839 VanDerWaalsContact C-N 3.31Å; I837-T839 PolarHBondContact O-N 3.27Å; T839-R843 VanDerWaalsContact O-CB 3.26Å; T839-R843 WeakPolarHBondContact O-CB 3.27Å
840	H	65.8	Low	56.3	Low	118 Å²	118	101.9 Å²	101.9	55%	0.546	53%	0.533	S	S	.	.	H	α-helix	trans	-104.2	-35.3	-173.5	-73.6	71.9	0	0	0	114.4	F836	F836-H840 AromaticContact CD2-CE1 3.9Å; F836-H840 AromaticContact CD2-ND1 3.69Å; F836-H840 HydrophobicContact CE1-CB 4.38Å; F836-H840 AromaticContact CE2-CE1 3.52Å; F836-H840 AromaticContact CE2-CG 3.9Å; F836-H840 AromaticContact CE2-ND1 3.52Å; F836-H840 AromaticContact CE2-NE2 3.88Å; F836-H840 HydrophobicContact CZ-CB 4.35Å; F836-H840 AromaticContact CZ-CG 3.88Å; F836-H840 AromaticContact CZ-ND1 3.98Å; F836-H840 PolarHBondContact O-N 3.23Å
841	I	61.7	Low	54.5	Low	102 Å²	102	106.4 Å²	106.4	52%	0.523	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-50.1	-176.3	-55.2	-177.9	0	0	0	110.4	I837 R843 S844	I837-I841 HydrophobicContact CG1-CD1 4.38Å; I837-I841 HydrophobicContact CG2-CB 4.42Å; I837-I841 HydrophobicContact CG2-CD1 4.3Å; I837-I841 WeakPolarHBondContact O-CA 3.29Å; I837-I841 WeakPolarHBondContact O-CB 3.11Å; I837-I841 PolarHBondContact O-N 3.3Å; I841-R843 PolarHBondContact O-N 2.93Å; I841-S844 PolarHBondContact O-N 2.93Å; I841-S844 PolarHBondContact O-OG 2.87Å
842	A	52.7	Low	53.2	Low	41 Å²	41	106.2 Å²	106.2	34%	0.339	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-67	-20.9	179.6	0	0	0	0	0	113.2	I837 Y838 S844 S845	I837-A842 PolarHBondContact O-N 3.08Å; Y838-A842 HydrophobicContact CD1-CB 4.24Å; Y838-A842 WeakPolarHBondContact O-CB 3.17Å; A842-S844 VanDerWaalsContact C-N 3.28Å; A842-S844 PolarHBondContact O-N 2.04Å; A842-S845 PolarHBondContact O-N 3.17Å
843	R	43.6	Very low	51.9	Low	215 Å²	215	106.2 Å²	106.2	81%	0.811	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-71.1	-16.4	176.4	-168.2	173.3	177	93.9	0.3	113.9	T839 I841	T839-R843 VanDerWaalsContact O-CB 3.26Å; T839-R843 WeakPolarHBondContact O-CB 3.27Å; I841-R843 PolarHBondContact O-N 2.93Å
844	S	40.5	Very low	50.4	Low	105 Å²	105	110.6 Å²	110.6	73%	0.734	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-87.9	-13.2	171.6	67.1	0	0	0	0	113.3	I841 A842	I841-S844 PolarHBondContact O-N 2.93Å; I841-S844 PolarHBondContact O-OG 2.87Å; A842-S844 VanDerWaalsContact C-N 3.28Å; A842-S844 PolarHBondContact O-N 2.04Å
845	S	43.4	Very low	48.7	Very low	82 Å²	82	112.3 Å²	112.3	57%	0.573	60%	0.595	S	S	*	*	S	Bend	trans	-124.7	34.8	-168.7	72.8	0	0	0	0	114.3	A842	A842-S845 PolarHBondContact O-N 3.17Å
846	E	36.9	Very low	47.3	Very low	139 Å²	139	113.8 Å²	113.8	65%	0.65	60%	0.598	S	S	*	*			trans	-161.8	98.8	160.3	-117.3	162.7	-149.2	0	0	111.4	S848	E846-S848 PolarHBondContact O-N 2.82Å
847	H	34.2	Very low	46.1	Very low	210 Å²	210	117.1 Å²	117.1	97%	0.972	61%	0.614	S	S	*	*	S	Bend	trans	-85.2	36.6	165.7	-148.3	70.8	0	0	0	110.9
848	S	35.4	Very low	44.3	Very low	94 Å²	94	116.2 Å²	116.2	66%	0.657	61%	0.614	S	S	*	*			trans	-148.3	155.3	-176	-172.7	0	0	0	0	109.9	E846	E846-S848 PolarHBondContact O-N 2.82Å
849	S	34.4	Very low	42.9	Very low	67 Å²	67	116.2 Å²	116.2	47%	0.469	61%	0.613	S	S	.	*			trans	77.7	80.5	176.3	-157.9	0	0	0	0	117.9	K851	S849-K851 PolarHBondContact O-N 2.82Å
850	G	38.2	Very low	41.8	Very low	69 Å²	69	115.7 Å²	115.7	71%	0.711	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-2.2	160.9	0	0	0	0	0	115.3	M852	G850-M852 VanDerWaalsContact C-N 3.28Å; G850-M852 PolarHBondContact O-N 3.5Å
851	K	32.1	Very low	40.5	Very low	178 Å²	178	115.7 Å²	115.7	77%	0.774	61%	0.612	S	S	*	*	H	α-helix	trans	-69	-21.8	-179.3	-63.6	-173.4	176.8	-177.7	0	113.4	S849	S849-K851 PolarHBondContact O-N 2.82Å
852	M	38.9	Very low	39.3	Very low	122 Å²	122	116.1 Å²	116.1	60%	0.601	61%	0.614	S	S	*	*	H	α-helix	trans	-82.3	-28.6	-178.2	-153.8	176.1	-67.1	0	0	113.5	G850 R855 N856	G850-M852 VanDerWaalsContact C-N 3.28Å; G850-M852 PolarHBondContact O-N 3.5Å; M852-R855 PolarHBondContact O-N 2.87Å; M852-N856 PolarHBondContact O-N 2.81Å
853	A	40.8	Very low	38.6	Very low	71 Å²	71	119.3 Å²	119.3	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-62.8	-46	175.3	0	0	0	0	0	111.7	R855 N856 Q857	A853-R855 VanDerWaalsContact C-N 3.31Å; A853-R855 PolarHBondContact O-N 2.83Å; A853-N856 PolarHBondContact O-N 3.06Å; A853-Q857 PolarHBondContact O-N 2.88Å; A853-Q857 VanDerWaalsContact O-N 3.14Å
854	L	37.2	Very low	38.4	Very low	124 Å²	124	112.4 Å²	112.4	65%	0.649	61%	0.607	S	S	*	*	H	α-helix	trans	-58.2	-41.4	178	-164.8	72.1	0	0	0	112.1	N856 Q857 C858	L854-N856 VanDerWaalsContact C-N 3.33Å; L854-N856 PolarHBondContact O-N 2.8Å; L854-Q857 PolarHBondContact O-N 2.86Å; L854-C858 PolarHBondContact O-N 2.75Å; L854-C858 VanDerWaalsContact O-N 3.14Å
855	R	35.3	Very low	38.2	Very low	190 Å²	190	112.2 Å²	112.2	72%	0.717	60%	0.601	S	S	*	*	H	α-helix	trans	-64.9	-34.6	180	-161.5	177.8	-164.3	174.1	6.4	113.1	M852 A853 R859	M852-R855 PolarHBondContact O-N 2.87Å; A853-R855 VanDerWaalsContact C-N 3.31Å; A853-R855 PolarHBondContact O-N 2.83Å; R855-R859 PolarHBondContact O-N 2.82Å
856	N	42.1	Very low	37.8	Very low	101 Å²	101	116.4 Å²	116.4	54%	0.54	61%	0.61	S	S	.	*	H	α-helix	trans	-75.1	-35.9	177.4	-72.5	-15.1	0	0	0	111.8	M852 A853 L854 R859 S860	M852-N856 PolarHBondContact O-N 2.81Å; A853-N856 PolarHBondContact O-N 3.06Å; L854-N856 VanDerWaalsContact C-N 3.33Å; L854-N856 PolarHBondContact O-N 2.8Å; N856-R859 PolarHBondContact O-N 3.49Å; N856-S860 PolarHBondContact O-N 2.75Å
857	Q	44.2	Very low	37.7	Very low	128 Å²	128	118.5 Å²	118.5	60%	0.598	62%	0.617	S	S	*	*	H	α-helix	trans	-62.5	-49.7	175.2	-168	152.6	-26.1	0	0	111.3	A853 L854 R859 S860 E861	A853-Q857 PolarHBondContact O-N 2.88Å; A853-Q857 VanDerWaalsContact O-N 3.14Å; L854-Q857 PolarHBondContact O-N 2.86Å; Q857-R859 VanDerWaalsContact C-N 3.31Å; Q857-R859 PolarHBondContact O-N 2.97Å; Q857-S860 PolarHBondContact O-N 2.61Å; Q857-S860 VanDerWaalsContact O-N 3.15Å; Q857-S860 PolarHBondContact O-OG 3.1Å; Q857-E861 PolarHBondContact O-N 2.88Å
858	C	34.1	Very low	37.4	Very low	51 Å²	51	117.2 Å²	117.2	35%	0.345	61%	0.608	S	S	.	*	H	α-helix	trans	-56.9	-40.4	173.8	-66.3	0	0	0	0	113.1	L854 S860 E861 I862	L854-C858 PolarHBondContact O-N 2.75Å; L854-C858 VanDerWaalsContact O-N 3.14Å; C858-S860 PolarHBondContact O-N 3.02Å; C858-E861 PolarHBondContact O-N 3.21Å; C858-I862 WeakPolarHBondContact O-CD1 3.48Å; C858-I862 VanDerWaalsContact O-CG1 3.29Å; C858-I862 WeakPolarHBondContact O-CG1 3Å; C858-I862 PolarHBondContact O-N 3.14Å
859	R	42.1	Very low	37	Very low	155 Å²	155	117 Å²	117	59%	0.585	61%	0.606	S	S	*	*	H	α-helix	trans	-62.9	-42.2	177.7	-177.5	175.5	-70	-135	-3	112	R855 N856 Q857 E861 I862 E863	R855-R859 PolarHBondContact O-N 2.82Å; N856-R859 PolarHBondContact O-N 3.49Å; Q857-R859 VanDerWaalsContact C-N 3.31Å; Q857-R859 PolarHBondContact O-N 2.97Å; R859-E861 PolarHBondContact O-N 2.86Å; R859-I862 PolarHBondContact O-N 2.77Å; R859-E863 PolarHBondContact O-N 3.36Å; R859-E863 VanDerWaalsContact O-N 3.11Å
860	S	44.4	Very low	36.7	Very low	67 Å²	67	119.4 Å²	119.4	47%	0.469	62%	0.621	S	S	.	*	H	α-helix	trans	-65	-36.9	179.9	72.1	0	0	0	0	113.1	N856 Q857 C858 S864	N856-S860 PolarHBondContact O-N 2.75Å; Q857-S860 PolarHBondContact O-N 2.61Å; Q857-S860 VanDerWaalsContact O-N 3.15Å; Q857-S860 PolarHBondContact O-OG 3.1Å; C858-S860 PolarHBondContact O-N 3.02Å; S860-S864 WeakPolarHBondContact O-CB 3.36Å; S860-S864 PolarHBondContact O-N 3.44Å
861	E	37.8	Very low	36.2	Very low	119 Å²	119	124.5 Å²	124.5	56%	0.556	63%	0.631	S	S	*	*	H	α-helix	trans	-68.7	-41.8	176.4	-71.8	-169.9	136.2	0	0	112	Q857 C858 R859 E863 S864 T865	Q857-E861 PolarHBondContact O-N 2.88Å; C858-E861 PolarHBondContact O-N 3.21Å; R859-E861 PolarHBondContact O-N 2.86Å; E861-E863 PolarHBondContact O-N 2.9Å; E861-S864 PolarHBondContact O-N 2.9Å; E861-S864 PolarHBondContact O-OG 2.03Å; E861-T865 PolarHBondContact O-N 2.87Å; E861-T865 VanDerWaalsContact O-N 3.11Å; E861-T865 PolarHBondContact O-OG1 2.87Å
862	I	37.5	Very low	35.8	Very low	110 Å²	110	123.3 Å²	123.3	56%	0.564	63%	0.628	S	S	*	*	H	α-helix	trans	-58.9	-48.3	176.1	-67.2	164.6	0	0	0	110.7	C858 R859 S864 T865 F866	C858-I862 WeakPolarHBondContact O-CD1 3.48Å; C858-I862 VanDerWaalsContact O-CG1 3.29Å; C858-I862 WeakPolarHBondContact O-CG1 3Å; C858-I862 PolarHBondContact O-N 3.14Å; R859-I862 PolarHBondContact O-N 2.77Å; I862-S864 VanDerWaalsContact C-N 3.32Å; I862-S864 PolarHBondContact O-N 3.05Å; I862-T865 PolarHBondContact O-N 2.92Å; I862-F866 PolarHBondContact O-N 2.8Å; I862-F866 VanDerWaalsContact O-N 3.17Å
863	E	37.8	Very low	35	Very low	109 Å²	109	125.3 Å²	125.3	51%	0.509	64%	0.635	S	S	.	*	H	α-helix	trans	-65.9	-32	178.8	-72.2	179.3	-163.9	0	0	113.1	R859 E861 T865	R859-E863 PolarHBondContact O-N 3.36Å; R859-E863 VanDerWaalsContact O-N 3.11Å; E861-E863 PolarHBondContact O-N 2.9Å; E863-T865 VanDerWaalsContact C-N 3.33Å
864	S	39.2	Very low	34.3	Very low	69 Å²	69	130.4 Å²	130.4	48%	0.483	65%	0.651	S	S	.	*	H	α-helix	trans	-68.6	-31.8	175.3	82.2	0	0	0	0	113	S860 E861 I862	S860-S864 WeakPolarHBondContact O-CB 3.36Å; S860-S864 PolarHBondContact O-N 3.44Å; E861-S864 PolarHBondContact O-N 2.9Å; E861-S864 PolarHBondContact O-OG 2.03Å; I862-S864 VanDerWaalsContact C-N 3.32Å; I862-S864 PolarHBondContact O-N 3.05Å
865	T	36.2	Very low	33.5	Very low	101 Å²	101	131 Å²	131	62%	0.62	65%	0.65	S	S	*	*	H	α-helix	trans	-77.9	-42.2	-177.8	-48.6	0	0	0	0	110.8	E861 I862 E863 K867 K868	E861-T865 PolarHBondContact O-N 2.87Å; E861-T865 VanDerWaalsContact O-N 3.11Å; E861-T865 PolarHBondContact O-OG1 2.87Å; I862-T865 PolarHBondContact O-N 2.92Å; E863-T865 VanDerWaalsContact C-N 3.33Å; T865-K867 VanDerWaalsContact C-N 3.28Å; T865-K867 PolarHBondContact O-N 2.93Å; T865-K868 PolarHBondContact O-N 2.79Å
866	F	35.6	Very low	32.9	Very low	170 Å²	170	131.2 Å²	131.2	75%	0.746	65%	0.651	S	S	*	*	H	α-helix	trans	-66.6	-24.5	-177.9	-123	-87	0	0	0	114.3	I862 K868	I862-F866 PolarHBondContact O-N 2.8Å; I862-F866 VanDerWaalsContact O-N 3.17Å; F866-K868 VanDerWaalsContact C-N 3.29Å; F866-K868 PolarHBondContact O-N 3.12Å
867	K	34.3	Very low	31.9	Very low	183 Å²	183	132.8 Å²	132.8	80%	0.796	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-3.8	-179.1	-85.9	178.1	175.1	170.5	0	115.3	T865	T865-K867 VanDerWaalsContact C-N 3.28Å; T865-K867 PolarHBondContact O-N 2.93Å
868	K	28.2	Very low	31	Very low	183 Å²	183	135.3 Å²	135.3	80%	0.796	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	2.8	-172	-75	-171	176.3	-179.6	0	116.4	T865 F866 P870	T865-K868 PolarHBondContact O-N 2.79Å; F866-K868 VanDerWaalsContact C-N 3.29Å; F866-K868 PolarHBondContact O-N 3.12Å; K868-P870 WeakPolarHBondContact O-CD 3.39Å
869	S	27.6	Very low	30.5	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	70%	0.7	S	S	*	*			trans	-107.6	101.4	178.8	51.8	0	0	0	0	112.3
870	P	27.8	Very low	29.6	Very low	118 Å²	118	141 Å²	141	77%	0.766	71%	0.708	S	S	*	*			trans	-83.4	123.7	173.5	32.6	-31.1	0	0	0	110.3	K868	K868-P870 WeakPolarHBondContact O-CD 3.39Å
871	L	27.2	Very low	28.6	Very low	177 Å²	177	142.8 Å²	142.8	93%	0.927	72%	0.72	S	S	*	*			trans	-125.7	104.4	171.7	-153.6	73.1	0	0	0	110.4
872	H	23.5	Very low	27.8	Very low	153 Å²	153	144.3 Å²	144.3	71%	0.708	73%	0.732	S	S	*	*			trans	-77	154.3	172.1	-109	-96.1	0	0	0	111
873	H	22.8	Very low	27.1	Very low	163 Å²	163	149.5 Å²	149.5	76%	0.755	75%	0.746	S	S	*	*			trans	38.4	114.2	159.7	-65.8	-68.6	0	0	0	119.3
874	I	25.3	Very low	26.4	Very low	178 Å²	178	151.4 Å²	151.4	91%	0.913	76%	0.759	S	S	*	*				-147	149.1	126.8	-101	145.4	0	0	0	108.4
875	E	21.5	Very low	25.6	Very low	136 Å²	136	152.4 Å²	152.4	64%	0.636	77%	0.766	S	S	*	*			trans	-114.2	144.7	-170.6	175.8	169.7	-178.6	0	0	111.2
876	R	21.3	Very low	25	Very low	195 Å²	195	153.2 Å²	153.2	74%	0.736	77%	0.771	S	S	*	*			trans	69.8	148.1	162.3	-84.7	176.4	-129.8	-174.3	5.2	121.2
877	D	22.5	Very low	24.5	Very low	135 Å²	135	152.6 Å²	152.6	72%	0.722	77%	0.77	S	S	*	*			trans	69.9	114.3	154.6	-53.4	-19.9	0	0	0	121.5
878	H	24.5	Very low	24.2	Very low	181 Å²	181	150 Å²	150	84%	0.838	77%	0.769	S	S	*	*			trans	26.4	100.6	153	-67.7	-77.2	0	0	0	119.4
879	F	23.7	Very low	24.1	Very low	218 Å²	218	149 Å²	149	96%	0.956	77%	0.772	S	S	*	*			trans	-146	144.8	138.4	-125.3	-86.2	0	0	0	112.6
880	S	23	Very low	24.1	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	78%	0.776	S	S	*	*			trans	-78.8	149.1	-173.8	-74.4	0	0	0	0	113.8	N882	S880-N882 PolarHBondContact O-N 3.07Å; S880-N882 VanDerWaalsContact O-N 3.14Å
881	S	22.5	Very low	24.2	Very low	104 Å²	104	150.7 Å²	150.7	73%	0.727	78%	0.775	S	S	*	*			trans	-19	103.5	160.4	171.3	0	0	0	0	115.6
882	N	21.2	Very low	24.9	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	77%	0.765	S	S	*	*			trans	-149.4	84.5	148	-97.7	-22	0	0	0	108.2	S880 L884	S880-N882 PolarHBondContact O-N 3.07Å; S880-N882 VanDerWaalsContact O-N 3.14Å; N882-L884 PolarHBondContact O-N 2.63Å; N882-L884 VanDerWaalsContact O-N 3.11Å
883	Y	23.6	Very low	25.6	Very low	218 Å²	218	146.5 Å²	146.5	86%	0.855	77%	0.765	S	S	*	*			trans	-70.3	105.7	170	-88.8	-84.2	0	0	0	109	S885	Y883-S885 PolarHBondContact O-N 2.85Å
884	L	22.9	Very low	25.8	Very low	150 Å²	150	145.9 Å²	145.9	79%	0.785	77%	0.767	S	S	*	*			trans	-47.6	109.4	163	-98.7	68.4	0	0	0	109	N882 T886	N882-L884 PolarHBondContact O-N 2.63Å; N882-L884 VanDerWaalsContact O-N 3.11Å; L884-T886 PolarHBondContact O-N 3.18Å
885	S	22.1	Very low	26.1	Very low	90 Å²	90	147.2 Å²	147.2	63%	0.629	77%	0.769	S	S	*	*			trans	-85.4	90.7	166.9	-65.6	0	0	0	0	107.8	Y883 H887	Y883-S885 PolarHBondContact O-N 2.85Å; S885-H887 VanDerWaalsContact C-N 3.3Å; S885-H887 PolarHBondContact O-CD2 2.81Å; S885-H887 PolarHBondContact O-N 3.19Å
886	T	23.2	Very low	26.2	Very low	117 Å²	117	149.6 Å²	149.6	72%	0.718	78%	0.777	S	S	*	*			trans	-69.8	89.2	170.9	46.6	0	0	0	0	109.2	L884 V888	L884-T886 PolarHBondContact O-N 3.18Å; T886-V888 PolarHBondContact O-N 2.83Å; T886-V888 VanDerWaalsContact O-N 3.07Å
887	H	26.9	Very low	26.5	Very low	158 Å²	158	150.6 Å²	150.6	73%	0.731	78%	0.781	S	S	*	*			trans	-70.8	97.3	174.7	-73.8	-88.9	0	0	0	110.2	S885 L889	S885-H887 VanDerWaalsContact C-N 3.3Å; S885-H887 PolarHBondContact O-CD2 2.81Å; S885-H887 PolarHBondContact O-N 3.19Å; H887-L889 PolarHBondContact O-N 2.79Å; H887-L889 VanDerWaalsContact O-N 3.14Å
888	V	26.4	Very low	26.5	Very low	128 Å²	128	150 Å²	150	78%	0.776	78%	0.782	S	S	*	*			trans	-73.5	100.5	164.3	-179.5	0	0	0	0	107.8	T886 C890	T886-V888 PolarHBondContact O-N 2.83Å; T886-V888 VanDerWaalsContact O-N 3.07Å; V888-C890 PolarHBondContact O-N 2.84Å
889	L	27.2	Very low	26.5	Very low	161 Å²	161	150 Å²	150	84%	0.843	78%	0.776	S	S	*	*			trans	-75.5	102.3	173.5	-84.6	153.5	0	0	0	109.8	H887 N891	H887-L889 PolarHBondContact O-N 2.79Å; H887-L889 VanDerWaalsContact O-N 3.14Å; L889-N891 PolarHBondContact O-N 3.31Å
890	C	27.4	Very low	26.5	Very low	105 Å²	105	147.5 Å²	147.5	71%	0.709	77%	0.767	S	S	*	*			trans	-75	99.1	168.4	-65.6	0	0	0	0	109.8	V888	V888-C890 PolarHBondContact O-N 2.84Å
891	N	30.5	Very low	26.5	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	77%	0.765	S	S	*	*			trans	-82.5	130.9	170	-162.7	17.9	0	0	0	109.8	L889 D893	L889-N891 PolarHBondContact O-N 3.31Å; N891-D893 PolarHBondContact O-N 2.97Å
892	P	41.3	Very low	26.5	Very low	112 Å²	112	150.9 Å²	150.9	73%	0.727	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-22.3	-166.2	-21.3	35	0	0	0	116.8
893	D	37.3	Very low	26.6	Very low	130 Å²	130	150.4 Å²	150.4	70%	0.695	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	17	-152.3	-64.4	-32.8	0	0	0	116.9	N891	N891-D893 PolarHBondContact O-N 2.97Å
894	N	28.6	Very low	26.5	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	75%	0.752	S	S	*	*			trans	-150.3	118.7	172.6	-93.5	-63.7	0	0	0	114.4	K896	N894-K896 PolarHBondContact O-N 3.05Å
895	E	30.2	Very low	26.7	Very low	206 Å²	206	145.4 Å²	145.4	96%	0.963	75%	0.752	S	S	*	*			trans	-73.5	25.6	-175.9	-61.7	-171.5	126.1	0	0	115.8
896	K	25	Very low	26.6	Very low	185 Å²	185	152.6 Å²	152.6	80%	0.804	77%	0.766	S	S	*	*	S	Bend	trans	-125.8	119.7	179.5	-73	-176.6	179.8	174	0	112.1	N894 V898	N894-K896 PolarHBondContact O-N 3.05Å; K896-V898 PolarHBondContact O-N 2.96Å; K896-V898 VanDerWaalsContact O-N 3.17Å
897	R	26.5	Very low	26.6	Very low	216 Å²	216	157.9 Å²	157.9	82%	0.815	77%	0.772	S	S	*	*			trans	-62.2	111	-180	-56.7	178.2	-167.8	179.3	2.8	110.6	Y899	R897-Y899 HydrophobicContact CB-CE2 4.13Å
898	V	23.6	Very low	26.4	Very low	122 Å²	122	158.2 Å²	158.2	74%	0.739	77%	0.772	S	S	*	*			trans	-107.2	109.9	166.5	-178.7	0	0	0	0	108.4	K896 Q900	K896-V898 PolarHBondContact O-N 2.96Å; K896-V898 VanDerWaalsContact O-N 3.17Å; V898-Q900 PolarHBondContact O-N 2.9Å
899	Y	24.5	Very low	26.1	Very low	182 Å²	182	158.4 Å²	158.4	71%	0.714	77%	0.774	S	S	*	*			trans	-83.7	96.6	172.4	-68.2	-90.2	0	0	0	109	R897 H901	R897-Y899 HydrophobicContact CB-CE2 4.13Å; Y899-H901 PolarHBondContact O-N 3.46Å
900	Q	22.1	Very low	25.8	Very low	166 Å²	166	158.8 Å²	158.8	78%	0.776	77%	0.771	S	S	*	*			trans	-89.3	94.5	174.2	-158.9	156.7	-14.7	0	0	109.6	V898 D902	V898-Q900 PolarHBondContact O-N 2.9Å; Q900-D902 PolarHBondContact O-N 2.68Å
901	H	23.4	Very low	25.5	Very low	151 Å²	151	161 Å²	161	70%	0.699	77%	0.771	S	S	*	*			trans	-75.6	107.8	165.1	-90.2	33.7	0	0	0	108.7	Y899 N903	Y899-H901 PolarHBondContact O-N 3.46Å; H901-N903 VanDerWaalsContact C-N 3.33Å; H901-N903 PolarHBondContact O-N 2.84Å
902	D	22.2	Very low	25.1	Very low	131 Å²	131	163.9 Å²	163.9	70%	0.701	77%	0.773	S	S	*	*			trans	-78.5	86.1	174.7	-133	-26	0	0	0	110.3	Q900 T904	Q900-D902 PolarHBondContact O-N 2.68Å; D902-T904 VanDerWaalsContact C-N 3.33Å; D902-T904 PolarHBondContact O-N 3.33Å
903	N	22.9	Very low	24.1	Very low	141 Å²	141	162.9 Å²	162.9	75%	0.754	77%	0.768	S	S	*	*			trans	-94.1	53.3	-179.8	-89.5	-26.7	0	0	0	111.7	H901	H901-N903 VanDerWaalsContact C-N 3.33Å; H901-N903 PolarHBondContact O-N 2.84Å
904	T	22.7	Very low	23.3	Very low	109 Å²	109	162.1 Å²	162.1	67%	0.669	77%	0.773	S	S	*	*			trans	-134	136.2	160	66.5	0	0	0	0	107.3	D902	D902-T904 VanDerWaalsContact C-N 3.33Å; D902-T904 PolarHBondContact O-N 3.33Å
905	I	26.1	Very low	22.9	Very low	154 Å²	154	159.6 Å²	159.6	79%	0.79	77%	0.767	S	S	*	*			cis	-133.1	125.9	24	-67.9	163.7	0	0	0	110.1
906	R	21.6	Very low	22.5	Very low	242 Å²	242	157.3 Å²	157.3	91%	0.913	76%	0.76	S	S	*	*			trans	-126.2	76.2	163.7	-168.2	-167.4	-155.7	-172.4	9.6	109.9
907	R	23	Very low	22.3	Very low	227 Å²	227	153 Å²	153	86%	0.857	76%	0.759	S	S	*	*			trans	-175.6	147.5	153.2	-107.4	156.6	-167.9	-173.3	4.3	114.5
908	K	22.6	Very low	22.1	Very low	166 Å²	166	147.9 Å²	147.9	72%	0.722	76%	0.756	S	S	*	*			trans	78	88.6	156.3	-71.8	-171.1	170.2	-161.2	0	120
909	T	20.5	Very low	22.5	Very low	132 Å²	132	146.4 Å²	146.4	81%	0.81	75%	0.749	S	S	*	*				-47.2	147.2	113.1	30	0	0	0	0	112.3
910	Q	20.8	Very low	22.3	Very low	168 Å²	168	146.1 Å²	146.1	79%	0.785	75%	0.754	S	S	*	*			trans	69.4	116	-172.5	-50.4	174.7	-53.7	0	0	111.8
911	E	21.1	Very low	22.4	Very low	153 Å²	153	143 Å²	143	72%	0.715	75%	0.747	S	S	*	*			cis	-153.9	153.1	44.9	-90.9	-173.2	119	0	0	114.9
912	Y	20.9	Very low	22.3	Very low	199 Å²	199	138 Å²	138	78%	0.78	74%	0.736	S	S	*	*			trans	36.1	106.9	157	-68.2	-97.9	0	0	0	119.2
913	S	20.1	Very low	22.3	Very low	90 Å²	90	135.8 Å²	135.8	63%	0.629	72%	0.724	S	S	*	*				88.1	133.8	56.5	73.2	0	0	0	0	115.1
914	S	20.5	Very low	22.2	Very low	115 Å²	115	132 Å²	132	80%	0.804	71%	0.709	S	S	*	*			trans	62.6	131.2	167.9	76.1	0	0	0	0	115
915	S	21.2	Very low	22.1	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	72%	0.716	S	S	*	*			cis	-174.1	176.1	35.5	49.7	0	0	0	0	111.3
916	I	20.9	Very low	21.7	Very low	158 Å²	158	130.7 Å²	130.7	81%	0.81	71%	0.707	S	S	*	*			trans	88.3	126.3	160.3	-58	157.4	0	0	0	118.1
917	A	21.7	Very low	21.7	Very low	94 Å²	94	126.8 Å²	126.8	78%	0.777	70%	0.704	S	S	*	*			trans	72.7	111.8	157.9	0	0	0	0	0	121.5
918	S	22.2	Very low	21.5	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	70%	0.704	S	S	*	*			trans	-81.2	-176.3	136.8	63.1	0	0	0	0	109.4
919	P	30.6	Very low	21.4	Very low	90 Å²	90	125.2 Å²	125.2	58%	0.584	71%	0.705	S	S	*	*			cis	-132.9	-169.3	-0.3	41.3	-22.7	0	0	0	114.6
920	E	21.3	Very low	21.4	Very low	177 Å²	177	124.3 Å²	124.3	83%	0.827	70%	0.704	S	S	*	*			trans	65.8	141.6	158.5	-69.9	150.4	-138.9	0	0	117.6
921	T	24.4	Very low	21.5	Very low	101 Å²	101	127 Å²	127	62%	0.62	71%	0.707	S	S	*	*			cis	-137	-102.8	14.8	55	0	0	0	0	113.5	S951 N952	T921-S951 WeakPolarHBondContact OG1-CB 3.44Å; T921-S951 PolarHBondContact OG1-OG 2.97Å; T921-S951 VanDerWaalsContact OG1-OG 3.07Å; T921-N952 PolarHBondContact O-ND2 2.75Å
922	G	21.5	Very low	21.6	Very low	46 Å²	46	128.7 Å²	128.7	47%	0.474	72%	0.715	S	S	.	*			trans	151.8	-119.3	-179.4	0	0	0	0	0	119.9	S951 N952	G922-S951 WeakPolarHBondContact O-CA 3.36Å; G922-S951 WeakPolarHBondContact O-CB 3.44Å; G922-N952 VanDerWaalsContact C-CB 3.45Å; G922-N952 WeakPolarHBondContact CA-ND2 3.41Å; G922-N952 PolarHBondContact O-N 2.86Å
923	N	21.9	Very low	21.7	Very low	83 Å²	83	126 Å²	126	44%	0.444	71%	0.714	S	S	.	*			trans	127.3	92.9	-164.1	-69.7	-14.5	0	0	0	111.1	S951 N952 L953	N923-S951 VanDerWaalsContact CB-O 3.29Å; N923-S951 WeakPolarHBondContact CB-O 3.28Å; N923-S951 VanDerWaalsContact CG-O 3.25Å; N923-S951 PolarHBondContact ND2-O 2.84Å; N923-N952 WeakPolarHBondContact CA-OD1 3.25Å; N923-N952 PolarHBondContact N-ND2 2.89Å; N923-N952 PolarHBondContact N-OD1 3.38Å; N923-N952 VanDerWaalsContact OD1-CA 3.29Å; N923-N952 WeakPolarHBondContact OD1-CA 3.36Å; N923-N952 PolarHBondContact OD1-OD1 3.4Å; N923-L953 PolarHBondContact ND2-N 2.82Å; N923-L953 PolarHBondContact OD1-N 3.02Å
924	S	20.9	Very low	21.7	Very low	62 Å²	62	129.3 Å²	129.3	43%	0.434	72%	0.724	S	S	.	*			trans	-48.4	140.7	159.2	63.2	0	0	0	0	111.8	V926 N952	S924-V926 PolarHBondContact O-N 3.24Å; S924-N952 PolarHBondContact N-OD1 3.35Å; S924-N952 VanDerWaalsContact N-OD1 3.11Å
925	V	19.9	Very low	21.9	Very low	135 Å²	135	127.4 Å²	127.4	82%	0.818	72%	0.723	S	S	*	*			trans	-53.6	117.4	167.1	177.2	0	0	0	0	109.8
926	V	19.2	Very low	22.1	Very low	101 Å²	101	131.8 Å²	131.8	61%	0.612	73%	0.732	S	S	*	*			trans	-106.3	117.9	165	177.4	0	0	0	0	108.6	S924 Y928	S924-V926 PolarHBondContact O-N 3.24Å; V926-Y928 HydrophobicContact CG1-CD2 4.32Å; V926-Y928 HydrophobicContact CG1-CE2 4.08Å
927	L	19.6	Very low	22.2	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	73%	0.734	S	S	*	*			trans	-73.2	124.6	170.7	-69.5	153	0	0	0	108.8
928	Y	19.2	Very low	22.4	Very low	221 Å²	221	135.9 Å²	135.9	87%	0.867	73%	0.734	S	S	*	*			trans	-99	108.2	163.6	-88.2	-84.5	0	0	0	110.1	V926	V926-Y928 HydrophobicContact CG1-CD2 4.32Å; V926-Y928 HydrophobicContact CG1-CE2 4.08Å
929	D	20.2	Very low	22.5	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	73%	0.728	S	S	*	*			trans	-116.7	118.4	157.8	179.7	16	0	0	0	107.7
930	S	22	Very low	22.2	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	73%	0.733	S	S	*	*			trans	-176.6	155.3	132.9	35.4	0	0	0	0	111.9
931	R	21.5	Very low	22.2	Very low	224 Å²	224	137.2 Å²	137.2	85%	0.845	73%	0.732	S	S	*	*			trans	-93.4	144.6	-174.1	-54.3	154.2	173.7	167.4	-4	111
932	Q	23.2	Very low	22.1	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	73%	0.734	S	S	*	*				-166.2	127.3	127.9	-104.7	164.4	-6.4	0	0	107.2
933	L	23.4	Very low	22	Very low	143 Å²	143	140.1 Å²	140.1	75%	0.749	75%	0.748	S	S	*	*			cis	66.6	90	49	-97.8	163.1	0	0	0	114.7
934	N	21.4	Very low	22.2	Very low	159 Å²	159	141 Å²	141	85%	0.85	76%	0.756	S	S	*	*			trans	32.3	118.2	145.2	-57.6	1.2	0	0	0	119.8
935	G	24.3	Very low	22.3	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	77%	0.771	S	S	*	*			trans	-178.5	86.4	163.8	0	0	0	0	0	113.7
936	E	24.3	Very low	22.4	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	77%	0.766	S	S	*	*			trans	27	119.7	153.9	-57.3	178.1	168.5	0	0	120.2
937	L	23.6	Very low	22.6	Very low	161 Å²	161	147.7 Å²	147.7	84%	0.843	77%	0.769	S	S	*	*				176.3	156.6	86.8	-165.4	62.5	0	0	0	111.9
938	F	25.3	Very low	22.8	Very low	178 Å²	178	147.4 Å²	147.4	78%	0.781	76%	0.763	S	S	*	*			trans	-39.8	138.3	-174.7	-90.1	-105.2	0	0	0	121.2
939	N	24.9	Very low	23	Very low	117 Å²	117	142.5 Å²	142.5	63%	0.626	76%	0.756	S	S	*	*			trans	69.7	122.1	131.8	-82.7	40.6	0	0	0	124.9
940	D	24.6	Very low	23.1	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	76%	0.757	S	S	*	*				102.3	138	125.9	-72.4	-31.6	0	0	0	120.7
941	I	21.8	Very low	23.1	Very low	154 Å²	154	138.6 Å²	138.6	79%	0.79	73%	0.734	S	S	*	*			trans	71.9	92.1	169.2	-58.1	152.6	0	0	0	113.3
942	S	21.9	Very low	23.2	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	71%	0.708	S	S	*	*				88	135.5	57.6	76.8	0	0	0	0	114.8
943	C	19.9	Very low	23.2	Very low	114 Å²	114	128.3 Å²	128.3	77%	0.77	70%	0.701	S	S	*	*			trans	70.1	149.8	170.5	-58.3	0	0	0	0	116.3
944	T	24.2	Very low	23.1	Very low	101 Å²	101	128.5 Å²	128.5	62%	0.62	70%	0.696	S	S	*	*			cis	-169.5	152.4	-26.1	25.2	0	0	0	0	105.8
945	E	23.3	Very low	23.2	Very low	160 Å²	160	126.4 Å²	126.4	75%	0.748	69%	0.685	S	S	*	*			trans	61.4	162.7	155.7	-66.6	155.7	164.4	0	0	116.3
946	E	23.4	Very low	23.1	Very low	154 Å²	154	129.9 Å²	129.9	72%	0.72	69%	0.686	S	S	*	*			cis	-151.9	148.5	-22.2	-121.1	171.8	179.2	0	0	108.5
947	D	23.5	Very low	23	Very low	124 Å²	124	124.4 Å²	124.4	66%	0.663	68%	0.68	S	S	*	*			trans	56	160.8	142.3	-75.1	-8.1	0	0	0	125.8
948	H	23.4	Very low	22.9	Very low	154 Å²	154	124.8 Å²	124.8	71%	0.713	68%	0.683	S	S	*	*			trans	75.4	95.9	168.4	-55	-52.5	0	0	0	117.6
949	T	23	Very low	23	Very low	117 Å²	117	122.6 Å²	122.6	72%	0.718	68%	0.684	S	S	*	*				64.8	135.3	66.1	71.2	0	0	0	0	115.7
950	V	22.4	Very low	22.9	Very low	128 Å²	128	124.5 Å²	124.5	78%	0.776	69%	0.694	S	S	*	*			trans	138.9	102.6	141.2	171.1	0	0	0	0	116.6
951	S	21.9	Very low	23	Very low	43 Å²	43	126.1 Å²	126.1	30%	0.301	70%	0.702	S	S	.	*				76.9	172.6	116.5	106.3	0	0	0	0	127.8	T921 G922 N923	T921-S951 WeakPolarHBondContact OG1-CB 3.44Å; T921-S951 PolarHBondContact OG1-OG 2.97Å; T921-S951 VanDerWaalsContact OG1-OG 3.07Å; G922-S951 WeakPolarHBondContact O-CA 3.36Å; G922-S951 WeakPolarHBondContact O-CB 3.44Å; N923-S951 VanDerWaalsContact CB-O 3.29Å; N923-S951 WeakPolarHBondContact CB-O 3.28Å; N923-S951 VanDerWaalsContact CG-O 3.25Å; N923-S951 PolarHBondContact ND2-O 2.84Å
952	N	24.3	Very low	23	Very low	54 Å²	54	122.2 Å²	122.2	29%	0.289	70%	0.7	S	S	.	*			trans	-66.8	152.6	-146.2	-127	-14.6	0	0	0	118	T921 G922 N923 S924	T921-N952 PolarHBondContact O-ND2 2.75Å; G922-N952 VanDerWaalsContact C-CB 3.45Å; G922-N952 WeakPolarHBondContact CA-ND2 3.41Å; G922-N952 PolarHBondContact O-N 2.86Å; N923-N952 WeakPolarHBondContact CA-OD1 3.25Å; N923-N952 PolarHBondContact N-ND2 2.89Å; N923-N952 PolarHBondContact N-OD1 3.38Å; N923-N952 VanDerWaalsContact OD1-CA 3.29Å; N923-N952 WeakPolarHBondContact OD1-CA 3.36Å; N923-N952 PolarHBondContact OD1-OD1 3.4Å; S924-N952 PolarHBondContact N-OD1 3.35Å; S924-N952 VanDerWaalsContact N-OD1 3.11Å
953	L	22.5	Very low	23	Very low	144 Å²	144	127.4 Å²	127.4	75%	0.754	71%	0.71	S	S	*	*				177.2	125.7	118.5	-84.1	142.8	0	0	0	106.5	N923	N923-L953 PolarHBondContact ND2-N 2.82Å; N923-L953 PolarHBondContact OD1-N 3.02Å
954	K	22.2	Very low	23.3	Very low	147 Å²	147	128 Å²	128	64%	0.639	71%	0.713	S	S	*	*			cis	91.4	124.1	37	-170.9	-177.6	-177.9	-166.9	0	114.3
955	N	23	Very low	23.2	Very low	114 Å²	114	129.8 Å²	129.8	61%	0.61	72%	0.719	S	S	*	*			trans	78.7	134.2	159.3	-82.9	43.6	0	0	0	122.7
956	D	21.5	Very low	23.3	Very low	148 Å²	148	128.7 Å²	128.7	79%	0.791	72%	0.718	S	S	*	*			trans	55.7	137.2	139.4	-49.8	-29.8	0	0	0	123.3
957	G	22.6	Very low	23.3	Very low	74 Å²	74	129 Å²	129	76%	0.763	72%	0.719	S	S	*	*			trans	155.6	96.8	160.6	0	0	0	0	0	115.8
958	D	22	Very low	23.3	Very low	169 Å²	169	129.7 Å²	129.7	90%	0.904	72%	0.722	S	S	*	*			trans	-64.7	146	168.1	-75.1	-59	0	0	0	112.6
959	V	27.2	Very low	23.4	Very low	131 Å²	131	131.5 Å²	131.5	79%	0.794	73%	0.73	S	S	*	*			trans	-130	107	166.1	-178.6	0	0	0	0	110.6
960	N	21.4	Very low	23.5	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	73%	0.728	S	S	*	*			trans	-70.3	138.7	168.4	-85.7	-58	0	0	0	111.2
961	L	27	Very low	23.6	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	73%	0.732	S	S	*	*			trans	-126.2	115.9	163	-81.8	167.2	0	0	0	109.6
962	G	21.4	Very low	24.2	Very low	72 Å²	72	134.7 Å²	134.7	74%	0.742	75%	0.752	S	S	*	*			trans	-92.2	168.6	-175	0	0	0	0	0	115
963	F	23.2	Very low	24.4	Very low	203 Å²	203	137.5 Å²	137.5	89%	0.89	78%	0.775	S	S	*	*			trans	-70.3	164.4	-176.7	-69.4	-99.2	0	0	0	114.9
964	P	25.4	Very low	24.7	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	78%	0.779	S	S	*	*				-123.3	156	126.7	35.3	-29.3	0	0	0	114.5
965	N	21.9	Very low	25	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	79%	0.792	S	S	*	*			trans	-83.2	152.8	-170.1	-58.1	-50.5	0	0	0	114.8
966	N	25.2	Very low	25.2	Very low	137 Å²	137	138 Å²	138	73%	0.733	79%	0.79	S	S	*	*				175.2	136.2	96.8	-101	-25.8	0	0	0	116.2
967	Q	24.9	Very low	25.7	Very low	160 Å²	160	137.1 Å²	137.1	75%	0.748	79%	0.785	S	S	*	*			trans	47.3	108.4	145	-57.9	-172.5	-5.4	0	0	120.1
968	I	22	Very low	26.3	Very low	140 Å²	140	138.6 Å²	138.6	72%	0.718	78%	0.779	S	S	*	*				68.5	109.9	82	-62.3	163.9	0	0	0	114.2
969	H	27.4	Very low	26.7	Very low	192 Å²	192	136.5 Å²	136.5	89%	0.889	77%	0.772	S	S	*	*				-170.8	167.1	121	-99.2	-67.8	0	0	0	110.2
970	A	24	Very low	26.8	Very low	82 Å²	82	140.6 Å²	140.6	68%	0.678	77%	0.773	S	S	*	*			trans	-138.3	169.7	-153.9	0	0	0	0	0	115.4
971	L	25	Very low	27.2	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	79%	0.788	S	S	*	*			trans	73.7	157.1	170.7	-87.4	75.6	0	0	0	117.9
972	P	34.3	Very low	27.2	Very low	110 Å²	110	143.1 Å²	143.1	71%	0.714	78%	0.784	S	S	*	*			cis	-135	166.2	-18	31.2	-10.7	0	0	0	116.9
973	S	27.4	Very low	27.5	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	79%	0.786	S	S	*	*			trans	-0.5	127.3	163.5	56.6	0	0	0	0	122	N975	S973-N975 PolarHBondContact O-N 2.72Å
974	F	29.7	Very low	27.7	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.833	78%	0.78	S	S	*	*	S	Bend	trans	-87	42.4	-172.8	-163.8	-103.4	0	0	0	115.8	V978	F974-V978 HydrophobicContact CE1-CG2 4.21Å; F974-V978 HydrophobicContact CZ-CG2 4.47Å
975	N	28	Very low	27.8	Very low	169 Å²	169	144.8 Å²	144.8	90%	0.904	78%	0.778	S	S	*	*			trans	-125	33.1	-170.9	-119	11.3	0	0	0	115.4	S973	S973-N975 PolarHBondContact O-N 2.72Å
976	G	28.1	Very low	28.2	Very low	56 Å²	56	145.1 Å²	145.1	58%	0.577	78%	0.78	S	S	*	*	S	Bend	trans	-140.4	-3.8	-175.7	0	0	0	0	0	118.5
977	L	31.3	Very low	28.4	Very low	131 Å²	131	145.7 Å²	145.7	69%	0.686	78%	0.784	S	S	*	*	S	Bend	trans	-138.9	13.4	-175.7	-143	79.4	0	0	0	116.3	R980	L977-R980 HydrophobicContact CG-CB 4.43Å
978	V	35.1	Very low	28.7	Very low	104 Å²	104	144.6 Å²	144.6	63%	0.63	79%	0.786	S	S	*	*	S	Bend	trans	-88.7	3.3	161.3	-176.6	0	0	0	0	110.8	F974 R980	F974-V978 HydrophobicContact CE1-CG2 4.21Å; F974-V978 HydrophobicContact CZ-CG2 4.47Å; V978-R980 VanDerWaalsContact C-N 3.26Å
979	T	30.8	Very low	29.2	Very low	126 Å²	126	145 Å²	145	77%	0.773	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	18.5	164.3	7.5	0	0	0	0	112.7
980	R	29.2	Very low	29.3	Very low	216 Å²	216	141.1 Å²	141.1	82%	0.815	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	11.3	175.3	-107	-176.4	179.9	-176.2	0.7	114.2	L977 V978	L977-R980 HydrophobicContact CG-CB 4.43Å; V978-R980 VanDerWaalsContact C-N 3.26Å
981	M	29.2	Very low	29.8	Very low	234 Å²	234	146.5 Å²	146.5	100%	1.153	79%	0.793	S	S	*	*			trans	-121	0	151.8	-77	-174.6	171.4	0	0	107.5

Retrieved 981 of 981 residues in 1143.2 ms (Link to these results)

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