A0A087Y7K0_POEFO Loading...

General transcription factor IIIC, polypeptide 2, beta

AlphaFold DB , UniProt , Accession A0A087Y7K0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 932 aa.

						>A0A087Y7K0_POEFO|A0A087Y7K0
MDPVDSGQGLDTPSQQDIYLSSSSRGRQRKRNSKYVDFETNDTDIVKSVKQKSTRKSVGKGATSRKTPTKRRKTKTPEQQTTNGEKESPQTIPADSVDTVITPRKPKRPRKTQPAETASAPGDLPTGETGGGVVENSVHQENGSLKPKRKYVRKKPVEEVKDPPDEEKPDPPAEPDEEVQTGGRRRRGAAKAALKYLQLLAKEVFSHPRDELDSKLHEDEESEQKSSKQTKGRKRKVDDVEKDFVPNMEDEEADEEEEYEYEEVSDAESDFGEREKFHPVFHQPRSSNGKPHNGIDFNTIRTILDSAEMTKKFREENYSSWVFPEWVPSTNNWEPVPENELEKYLPQELESAAFKVSRDNLNQEETPLLRLSRFESMAAHPGHWDMFLFAGGPVWALEWCPSPDGAPASQYIALACHRGMDDLHYVNQTYSEPGLVQLWDCGKLEYNKKPDSQPFLVYGLAQDKGFIWQLKWCPAGGWELPDSVRKAPFLPRLGLLAVATSSGVVTIYSLPHPDALLSNTKLTHPERNDEKPPIYKARGVITLKLGCIKSPREERSGQVLSMDWLPQKPHNIMAVGFYDGVVGLFDLCTKSSLLRVREPDRSLTLLPYRSILAHDNAVRALVFCPASRYLLTSAGEDRCLKTWDLRRLSNMVKVQKRYLTTELCWPLDSPGVLVAQESAFVPRSSVGVHYVDHYLRSYFAIPRSTSVWSLSYSDWLHTVMSSDMLGELILSILPLPNCSVKKTSLRRFPAYITSLEPYEAQEGQNKGEEEEGQEPGETVDDEDNEGGRVGGDSRLHLQFQTYKQAVKKYYLHFKDLDMRCLTGLSKHALWKHMQSTELTAVTDLDDMPLAALYKARFNPNMSSHVWVGSAGQTGLVRLHCARSFITPQLKTMISNHQAQFSALYSAQNRSDGVQTAAEQREQHSLPHCTATR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30.9	Very low	237 Å²	237	146.5 Å²	146.5	100%	1.167	87%	0.869	S	S	*	*				0	102.8	0	-79.7	-57	-162.3	0	0	104.9
2	D	25.2	Very low	30.9	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	87%	0.867	S	S	*	*			trans	-86.5	168.5	-168.1	-72.6	-55.4	0	0	0	111.9
3	P	48.2	Very low	30.8	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	86%	0.863	S	S	*	*			trans	-93.1	179.9	-147	36.9	-37.9	0	0	0	114.3
4	V	33.5	Very low	30.5	Very low	149 Å²	149	140.7 Å²	140.7	90%	0.903	85%	0.849	S	S	*	*			trans	-114.9	139.6	161	-179.8	0	0	0	0	107.9
5	D	31.2	Very low	30.5	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	85%	0.854	S	S	*	*			trans	-129.5	175.5	-172.2	-176.2	27.2	0	0	0	110.6
6	S	34.6	Very low	30.2	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	85%	0.846	S	S	*	*			trans	79	136.9	172.7	78.3	0	0	0	0	117.7
7	G	26	Very low	30.1	Very low	80 Å²	80	145.5 Å²	145.5	83%	0.825	84%	0.844	S	S	*	*			trans	161.3	60	-179.2	0	0	0	0	0	114.1
8	Q	29.6	Very low	29.9	Very low	206 Å²	206	144.8 Å²	144.8	96%	0.963	84%	0.835	S	S	*	*			trans	-73.4	143.8	172.6	-70.5	178.8	-21.4	0	0	111.5
9	G	25.4	Very low	29.8	Very low	74 Å²	74	148.9 Å²	148.9	76%	0.763	84%	0.836	S	S	*	*			trans	-176.2	129.5	169.3	0	0	0	0	0	111.4
10	L	29.4	Very low	29.6	Very low	166 Å²	166	149 Å²	149	87%	0.869	83%	0.834	S	S	*	*			trans	-81.1	148.8	171.4	-62	97.6	0	0	0	110
11	D	25.4	Very low	29.5	Very low	161 Å²	161	147.6 Å²	147.6	86%	0.861	84%	0.835	S	S	*	*				-167	129.3	125	-102.4	-23.7	0	0	0	111.4	P13	D11-P13 WeakPolarHBondContact O-CD 3.38Å
12	T	31	Very low	29.3	Very low	139 Å²	139	141.9 Å²	141.9	85%	0.853	82%	0.818	S	S	*	*			trans	-102.5	109.7	172.2	47	0	0	0	0	110.2
13	P	29.6	Very low	29.3	Very low	125 Å²	125	139.5 Å²	139.5	81%	0.812	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.5	133.5	166.9	30.5	-31.4	0	0	0	110.2	D11	D11-P13 WeakPolarHBondContact O-CD 3.38Å
14	S	26.4	Very low	28.4	Very low	95 Å²	95	139.3 Å²	139.3	66%	0.664	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-63.4	150.2	-178.1	47.8	0	0	0	0	113.8	Q16	S14-Q16 PolarHBondContact O-N 2.84Å
15	Q	30.8	Very low	28.4	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.6	134.8	158.6	-69.9	173.3	-52	0	0	109.3
16	Q	25.1	Very low	28.3	Very low	157 Å²	157	140 Å²	140	73%	0.734	81%	0.811	S	S	*	*			trans	-127.5	123.9	165.4	-72.9	-169.6	-14.6	0	0	108.9	S14 I18	S14-Q16 PolarHBondContact O-N 2.84Å; Q16-I18 PolarHBondContact O-N 3.29Å
17	D	29.5	Very low	28.1	Very low	150 Å²	150	146 Å²	146	80%	0.802	82%	0.816	S	S	*	*			trans	-69.6	110.1	178.9	-68.8	-65.1	0	0	0	111.5	Y19	D17-Y19 PolarHBondContact O-N 2.7Å
18	I	25.8	Very low	28.2	Very low	133 Å²	133	151.6 Å²	151.6	68%	0.682	82%	0.821	S	S	*	*			trans	-101.2	80.3	174.7	-60.6	-177.9	0	0	0	109.3	Q16 L20	Q16-I18 PolarHBondContact O-N 3.29Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 HydrophobicContact CG2-CD1 3.6Å; I18-L20 HydrophobicContact CG2-CG 3.67Å; I18-L20 PolarHBondContact O-N 2.84Å
19	Y	28.2	Very low	28.3	Very low	222 Å²	222	153.4 Å²	153.4	87%	0.871	82%	0.819	S	S	*	*			trans	-67.7	86.1	167.7	-97.3	-91	0	0	0	110.7	D17	D17-Y19 PolarHBondContact O-N 2.7Å
20	L	26.1	Very low	28.6	Very low	150 Å²	150	159.7 Å²	159.7	79%	0.785	83%	0.825	S	S	*	*			trans	-94.7	100.4	173.2	-84.4	168.8	0	0	0	111.9	I18 S22	I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 HydrophobicContact CG2-CD1 3.6Å; I18-L20 HydrophobicContact CG2-CG 3.67Å; I18-L20 PolarHBondContact O-N 2.84Å; L20-S22 PolarHBondContact O-N 3.08Å
21	S	26.2	Very low	28.7	Very low	121 Å²	121	162.3 Å²	162.3	85%	0.846	82%	0.823	S	S	*	*			trans	-70.7	112.6	177.4	52.8	0	0	0	0	112.3	S23	S21-S23 PolarHBondContact O-N 3.37Å
22	S	27.7	Very low	28.8	Very low	117 Å²	117	162.3 Å²	162.3	82%	0.818	82%	0.824	S	S	*	*			trans	-78.3	106	-179.5	50.7	0	0	0	0	112.1	L20 S24	L20-S22 PolarHBondContact O-N 3.08Å; S22-S24 PolarHBondContact O-N 2.78Å
23	S	26.4	Very low	28.8	Very low	107 Å²	107	161.1 Å²	161.1	75%	0.748	82%	0.821	S	S	*	*			trans	-71.5	112.2	-174.4	-168.7	0	0	0	0	113.7	S21 R25	S21-S23 PolarHBondContact O-N 3.37Å; S23-R25 PolarHBondContact O-N 2.65Å; S23-R25 VanDerWaalsContact O-N 3.16Å
24	S	29.4	Very low	29	Very low	115 Å²	115	164.1 Å²	164.1	80%	0.804	82%	0.821	S	S	*	*			trans	-87.4	70.3	-177.4	52.7	0	0	0	0	113.7	S22 G26	S22-S24 PolarHBondContact O-N 2.78Å; S24-G26 PolarHBondContact O-N 2.89Å
25	R	32.9	Very low	29.3	Very low	240 Å²	240	170.3 Å²	170.3	91%	0.906	83%	0.832	S	S	*	*			trans	-72.7	62.8	175.8	-82.8	-171.8	166.3	-178.2	-1.4	114.4	S23	S23-R25 PolarHBondContact O-N 2.65Å; S23-R25 VanDerWaalsContact O-N 3.16Å
26	G	29.5	Very low	29.2	Very low	67 Å²	67	166.6 Å²	166.6	69%	0.691	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-77.3	137.9	169.9	0	0	0	0	0	113.2	S24 Q28	S24-G26 PolarHBondContact O-N 2.89Å; G26-Q28 PolarHBondContact O-N 3.33Å
27	R	28.8	Very low	29.4	Very low	245 Å²	245	164.8 Å²	164.8	93%	0.925	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.5	122.5	176.3	-83.7	179.2	166.9	165.2	-3.1	111.7	R29	R27-R29 PolarHBondContact O-N 3.33Å
28	Q	28.8	Very low	29.3	Very low	197 Å²	197	167.9 Å²	167.9	92%	0.921	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-56.4	125.8	168	-72	-177.7	-19.3	0	0	111.8	G26	G26-Q28 PolarHBondContact O-N 3.33Å
29	R	32.4	Very low	29.4	Very low	243 Å²	243	167.8 Å²	167.8	92%	0.917	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-90.8	141.2	159.4	-75.1	-178.5	171	177.3	-1.8	108.7	R27 R31	R27-R29 PolarHBondContact O-N 3.33Å; R29-R31 PolarHBondContact O-N 3.31Å
30	K	30.9	Very low	29.3	Very low	206 Å²	206	163.5 Å²	163.5	90%	0.896	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.1	121.2	178.6	-68.5	-174	174.1	-173.8	0	110.8
31	R	31.1	Very low	29.4	Very low	221 Å²	221	163.7 Å²	163.7	83%	0.834	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.2	129.7	169.5	-143	175.7	-174	-170.5	0.4	107.8	R29 E39	R29-R31 PolarHBondContact O-N 3.31Å; R31-E39 IonicContact NH2-OE1 3.34Å
32	N	28.8	Very low	29.4	Very low	162 Å²	162	165 Å²	165	87%	0.866	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-87.4	125.2	175.3	-105.9	-10	0	0	0	109.2	K34	N32-K34 PolarHBondContact O-N 3.47Å
33	S	31.6	Very low	29.4	Very low	114 Å²	114	165.5 Å²	165.5	80%	0.797	82%	0.815	S	S	*	*	S	Bend	trans	-78	103.1	-179.5	55.9	0	0	0	0	111.6
34	K	33.3	Very low	29.4	Very low	187 Å²	187	167.1 Å²	167.1	81%	0.813	82%	0.816	S	S	*	*	S	Bend	trans	-155	-4.4	163.4	-126.5	-176.6	-178.6	-170	0	118.1	N32	N32-K34 PolarHBondContact O-N 3.47Å
35	Y	31.6	Very low	29.3	Very low	226 Å²	226	169.7 Å²	169.7	89%	0.886	82%	0.818	S	S	*	*			trans	-139.9	124.2	169.6	-74.1	-79.7	0	0	0	109.2
36	V	29.6	Very low	29	Very low	118 Å²	118	164 Å²	164	72%	0.715	81%	0.811	S	S	*	*			trans	-172.4	122.1	-162.6	150.4	0	0	0	0	102.8
37	D	29.5	Very low	29	Very low	120 Å²	120	170.4 Å²	170.4	64%	0.642	82%	0.819	S	S	*	*			cis	-127.8	-165.5	-7.6	-57.6	-53.5	0	0	0	108.6
38	F	27.9	Very low	28.7	Very low	215 Å²	215	164.6 Å²	164.6	94%	0.943	82%	0.816	S	S	*	*			cis	-114.7	141.8	41.3	-74.5	-101.6	0	0	0	113.7
39	E	27.1	Very low	28.6	Very low	131 Å²	131	161.6 Å²	161.6	61%	0.612	81%	0.811	S	S	*	*			trans	-111.1	133.1	163.7	-68.3	179.8	161.5	0	0	108.1	R31	R31-E39 IonicContact NH2-OE1 3.34Å
40	T	26.8	Very low	28.2	Very low	132 Å²	132	159.6 Å²	159.6	81%	0.81	81%	0.809	S	S	*	*			trans	-91.6	125.1	171.8	45	0	0	0	0	109.4
41	N	26.3	Very low	27.9	Very low	153 Å²	153	157.3 Å²	157.3	82%	0.818	80%	0.802	S	S	*	*			trans	-97.5	114.5	178.5	-74.4	-35.3	0	0	0	110.9
42	D	26.6	Very low	27.5	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	80%	0.799	S	S	*	*			trans	-102.5	128.8	162.5	-72.9	-55.6	0	0	0	109.8
43	T	27.3	Very low	27.3	Very low	128 Å²	128	152 Å²	152	79%	0.785	79%	0.789	S	S	*	*			trans	-172	113.2	146.2	8.3	0	0	0	0	110.5
44	D	28.2	Very low	26.9	Very low	141 Å²	141	153 Å²	153	75%	0.754	79%	0.79	S	S	*	*			trans	40.7	130	144.9	-45.7	-30	0	0	0	121.7
45	I	27	Very low	26.5	Very low	169 Å²	169	154.9 Å²	154.9	87%	0.867	79%	0.792	S	S	*	*				-174.1	158.7	102.1	-94.8	165.4	0	0	0	112.2
46	V	26.4	Very low	26.2	Very low	122 Å²	122	153.7 Å²	153.7	74%	0.739	79%	0.792	S	S	*	*			trans	-78.7	147	-169.7	170	0	0	0	0	115.1
47	K	28.3	Very low	25.9	Very low	200 Å²	200	152.3 Å²	152.3	87%	0.87	79%	0.787	S	S	*	*			trans	9.4	128.6	159.3	-59.2	172.8	-179.6	178.6	0	119.4
48	S	23.7	Very low	25.8	Very low	124 Å²	124	153.5 Å²	153.5	87%	0.867	80%	0.798	S	S	*	*				-158.7	164.1	127.6	65.1	0	0	0	0	112.2
49	V	25.9	Very low	25.7	Very low	133 Å²	133	146.1 Å²	146.1	81%	0.806	78%	0.783	S	S	*	*			trans	-124.9	132.3	-174	171.9	0	0	0	0	110.8
50	K	23.6	Very low	25.7	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	80%	0.8	S	S	*	*			trans	-171.4	109.7	143.4	-106.9	154	-172.3	173	0	115.5
51	Q	24.5	Very low	25.7	Very low	159 Å²	159	147.5 Å²	147.5	74%	0.743	80%	0.796	S	S	*	*				29.4	148	128.3	-90.8	-165	11.3	0	0	123.9
52	K	24.4	Very low	25.9	Very low	177 Å²	177	144.5 Å²	144.5	77%	0.77	79%	0.793	S	S	*	*			trans	86.1	119.8	159.9	-66.9	164.4	-175.5	177.3	0	116
53	S	23.4	Very low	26	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	79%	0.794	S	S	*	*			cis	99.6	114.2	26.5	77.4	0	0	0	0	115
54	T	23.8	Very low	26.3	Very low	135 Å²	135	142 Å²	142	83%	0.828	79%	0.787	S	S	*	*			trans	171.8	142.2	132.7	33.2	0	0	0	0	108.1
55	R	24.1	Very low	26.4	Very low	225 Å²	225	147 Å²	147	85%	0.849	80%	0.795	S	S	*	*			cis	116.2	96.4	16.4	-177.5	-167.7	-163.6	-173.1	8.4	110.4
56	K	24.8	Very low	26.6	Very low	201 Å²	201	148.3 Å²	148.3	87%	0.874	80%	0.795	S	S	*	*			trans	168.7	157.4	152.1	-96.6	166.3	-177.8	-178.8	0	110.3
57	S	25.1	Very low	26.8	Very low	90 Å²	90	148.2 Å²	148.2	63%	0.629	79%	0.794	S	S	*	*			cis	176.6	151.2	-35.3	52.8	0	0	0	0	111
58	V	25.8	Very low	27.7	Very low	144 Å²	144	143.8 Å²	143.8	87%	0.873	79%	0.786	S	S	*	*			trans	74.1	137.4	167.3	-167.5	0	0	0	0	115.6
59	G	25.5	Very low	28	Very low	61 Å²	61	142.5 Å²	142.5	63%	0.629	77%	0.773	S	S	*	*			cis	155.5	167.3	-10.9	0	0	0	0	0	115.2
60	K	28.9	Very low	28.3	Very low	220 Å²	220	144.6 Å²	144.6	96%	0.957	77%	0.771	S	S	*	*			trans	75.1	145.9	-177.3	-51.3	174.6	-179.1	177.2	0	114.9
61	G	26.8	Very low	28.6	Very low	71 Å²	71	145.7 Å²	145.7	73%	0.732	77%	0.77	S	S	*	*			cis	171.8	174.2	-7.1	0	0	0	0	0	113.6
62	A	29	Very low	28.8	Very low	91 Å²	91	149.3 Å²	149.3	75%	0.752	78%	0.777	S	S	*	*			trans	65.2	120.6	176.7	0	0	0	0	0	116.9
63	T	29.6	Very low	29.1	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	78%	0.779	S	S	*	*			cis	80.2	134.5	44.6	67.1	0	0	0	0	116.1
64	S	32.8	Very low	29.4	Very low	91 Å²	91	150.9 Å²	150.9	64%	0.636	78%	0.781	S	S	*	*			cis	-172.4	139.5	-14.8	49.7	0	0	0	0	112.3
65	R	31.9	Very low	29.7	Very low	246 Å²	246	153.2 Å²	153.2	93%	0.928	78%	0.78	S	S	*	*			trans	-145.5	160.3	151.1	-68.4	92.8	-145.4	-126.7	0.9	106.5
66	K	30.8	Very low	29.7	Very low	197 Å²	197	148.4 Å²	148.4	86%	0.857	78%	0.776	S	S	*	*			cis	-137.3	172.9	0.1	-160.2	-171.2	176.5	-177.2	0	108.6
67	T	30.3	Very low	30.9	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	76%	0.764	S	S	*	*			trans	-139.3	175	171.6	63.2	0	0	0	0	108.9
68	P	46.1	Very low	31.2	Very low	106 Å²	106	146.4 Å²	146.4	69%	0.688	77%	0.768	S	S	*	*			cis	-130.5	-164.2	5.3	35.1	-10.3	0	0	0	112.5
69	T	31.9	Very low	31.5	Very low	98 Å²	98	146 Å²	146	60%	0.601	76%	0.756	S	S	*	*			cis	-166.7	137.5	18.1	-15.6	0	0	0	0	113.7
70	K	32.3	Very low	31.7	Very low	177 Å²	177	150.4 Å²	150.4	77%	0.77	76%	0.761	S	S	*	*			trans	57.9	161.1	147.9	-65.8	170.8	-164.3	158	0	118.4
71	R	29	Very low	31.6	Very low	224 Å²	224	145.2 Å²	145.2	85%	0.845	75%	0.748	S	S	*	*			cis	-165.1	140.6	-14.4	-109.2	171.9	175.4	-173.2	-2.4	105.6
72	R	28.8	Very low	31.7	Very low	234 Å²	234	146.8 Å²	146.8	88%	0.883	74%	0.743	S	S	*	*				177.2	135.2	83	-117.5	171.3	162.3	157.2	-8.6	105.7
73	K	30.7	Very low	31.6	Very low	190 Å²	190	150.2 Å²	150.2	83%	0.826	75%	0.749	S	S	*	*				43.1	135.4	98.8	-69.9	-167.1	175.6	-170.7	0	115.1
74	T	29.3	Very low	31.5	Very low	115 Å²	115	147.1 Å²	147.1	71%	0.706	74%	0.744	S	S	*	*			cis	-162.5	146.4	34.7	-19.1	0	0	0	0	116.1
75	K	29.4	Very low	31.4	Very low	184 Å²	184	150.5 Å²	150.5	80%	0.8	75%	0.749	S	S	*	*			trans	58.6	104.8	141	-86.6	177.1	176.9	-160.5	0	124.8
76	T	26	Very low	31.4	Very low	124 Å²	124	145.9 Å²	145.9	76%	0.761	74%	0.736	S	S	*	*				8.1	167.7	105.5	31.9	0	0	0	0	122.6
77	P	49.1	Very low	31.2	Very low	96 Å²	96	144.7 Å²	144.7	62%	0.623	73%	0.734	S	S	*	*			cis	-150.5	-159.9	-14	38.9	-15.3	0	0	0	117.4
78	E	30.9	Very low	31	Very low	154 Å²	154	144 Å²	144	72%	0.72	73%	0.734	S	S	*	*			trans	81.4	151.7	149	-73.6	177.1	133.3	0	0	119.6
79	Q	31.6	Very low	31.1	Very low	134 Å²	134	143.9 Å²	143.9	63%	0.626	73%	0.733	S	S	*	*			cis	-154.5	151.6	1.1	-125.7	166.3	34	0	0	112.5
80	Q	30.8	Very low	31	Very low	154 Å²	154	147.3 Å²	147.3	72%	0.72	74%	0.742	S	S	*	*				34.8	160.9	126.4	-66.9	-180	-2.8	0	0	122.8
81	T	27.3	Very low	30.7	Very low	111 Å²	111	144.9 Å²	144.9	68%	0.681	74%	0.742	S	S	*	*			cis	-174.3	175.3	-8.6	29.9	0	0	0	0	109.9
82	T	27.9	Very low	30.7	Very low	105 Å²	105	141.8 Å²	141.8	64%	0.644	74%	0.741	S	S	*	*			cis	-176.5	157.1	-48.2	42.3	0	0	0	0	110.5
83	N	27.9	Very low	31.4	Very low	162 Å²	162	136 Å²	136	87%	0.866	73%	0.733	S	S	*	*			trans	92.1	155.5	152.3	-56.9	-27.7	0	0	0	122.7
84	G	27.2	Very low	31.6	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	73%	0.731	S	S	*	*			trans	127.6	107.9	173.2	0	0	0	0	0	111.9
85	E	30.1	Very low	31.7	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	74%	0.736	S	S	*	*				68.9	136.2	61.1	-60.7	-138.9	135.9	0	0	114
86	K	31.3	Very low	31.8	Very low	148 Å²	148	128.8 Å²	128.8	64%	0.643	73%	0.728	S	S	*	*			cis	-166.6	177.4	2.8	-127	174.9	-170.9	137.6	0	113.6
87	E	26.8	Very low	32	Very low	173 Å²	173	128.2 Å²	128.2	81%	0.808	72%	0.724	S	S	*	*			trans	84.5	178	150.9	-79.5	166.8	-147.2	0	0	123.5
88	S	26.9	Very low	31.2	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	73%	0.73	S	S	*	*			trans	-161.3	-157.4	-143.9	64.3	0	0	0	0	112.1
89	P	48	Very low	31.1	Very low	103 Å²	103	128.2 Å²	128.2	67%	0.669	73%	0.728	S	S	*	*			cis	-142.4	-166.6	-9.6	30.5	-4	0	0	0	116.9
90	Q	30.3	Very low	31	Very low	170 Å²	170	128 Å²	128	79%	0.794	74%	0.736	S	S	*	*			trans	78.8	156.1	162.7	-41.3	-168.1	4.9	0	0	118.2
91	T	24.9	Very low	31	Very low	126 Å²	126	128 Å²	128	77%	0.773	74%	0.74	S	S	*	*			cis	-145.3	163.5	7.5	-30.2	0	0	0	0	110.9
92	I	28.9	Very low	31.2	Very low	160 Å²	160	128.8 Å²	128.8	82%	0.821	74%	0.744	S	S	*	*			trans	-134.7	129.5	-157.2	-60.5	163.3	0	0	0	116.3
93	P	44.6	Very low	31.7	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	74%	0.743	S	S	*	*			trans	-98.5	166.1	154.3	-1.2	23.1	0	0	0	112.4
94	A	34.4	Very low	31.7	Very low	93 Å²	93	132.1 Å²	132.1	77%	0.769	75%	0.745	S	S	*	*			cis	82.1	113.9	18.1	0	0	0	0	0	116.5
95	D	31.7	Very low	32	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	75%	0.754	S	S	*	*			cis	-158.4	-162.2	-5.8	-155.3	39.2	0	0	0	108.8
96	S	31.1	Very low	32.2	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	75%	0.754	S	S	*	*			cis	-165.8	148	11.6	61.1	0	0	0	0	115
97	V	30.9	Very low	32	Very low	112 Å²	112	139.1 Å²	139.1	68%	0.679	77%	0.766	S	S	*	*			trans	56.6	103.6	136.3	-179.4	0	0	0	0	121.9
98	D	31	Very low	32.2	Very low	137 Å²	137	142.4 Å²	142.4	73%	0.733	77%	0.771	S	S	*	*				51	159.4	116.9	-62	-36.2	0	0	0	124.4
99	T	30.1	Very low	32.7	Very low	113 Å²	113	143 Å²	143	69%	0.693	77%	0.772	S	S	*	*			cis	-157.1	136.4	-12.4	19	0	0	0	0	112.9
100	V	29.8	Very low	31.7	Very low	129 Å²	129	149 Å²	149	78%	0.782	78%	0.781	S	S	*	*				53.8	151	119.6	-172.3	0	0	0	0	123.4
101	I	30.7	Very low	31.6	Very low	156 Å²	156	148.8 Å²	148.8	80%	0.8	78%	0.778	S	S	*	*			trans	88.7	141.1	171.1	-33	-176.7	0	0	0	119.4
102	T	31	Very low	31.7	Very low	126 Å²	126	147.3 Å²	147.3	77%	0.773	77%	0.769	S	S	*	*			trans	-93.6	-153.9	173.2	52.4	0	0	0	0	110.1
103	P	38.8	Very low	31.6	Very low	97 Å²	97	148 Å²	148	63%	0.63	77%	0.769	S	S	*	*			cis	-147.5	-166.5	-0.9	46.6	-25.9	0	0	0	118
104	R	27.1	Very low	31.5	Very low	241 Å²	241	148 Å²	148	91%	0.909	77%	0.769	S	S	*	*			trans	77.4	151.8	151.2	-74.8	172.6	-178.5	-178.9	-0	121.5
105	K	33.2	Very low	31.1	Very low	201 Å²	201	147.5 Å²	147.5	87%	0.874	76%	0.764	S	S	*	*			trans	-98	156.3	173.7	-56.5	172.2	178.9	173.6	0	110
106	P	35.6	Very low	30.9	Very low	119 Å²	119	148.7 Å²	148.7	77%	0.773	77%	0.765	S	S	*	*				-159.1	160.1	98.7	39.4	-19.5	0	0	0	120
107	K	27.1	Very low	30.6	Very low	204 Å²	204	150.7 Å²	150.7	89%	0.887	77%	0.774	S	S	*	*			trans	26.4	126.6	146.4	-59.2	176.2	-178.8	174.4	0	124.2
108	R	30.2	Very low	30.5	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	78%	0.777	S	S	*	*			trans	10.8	148.1	135.2	-76.5	-178	174.7	179.4	-1.3	120.1
109	P	38.2	Very low	30.3	Very low	116 Å²	116	149.1 Å²	149.1	75%	0.753	78%	0.783	S	S	*	*				-163.6	177.6	58.4	44.8	-22.9	0	0	0	122.1
110	R	26.8	Very low	30.3	Very low	229 Å²	229	148.2 Å²	148.2	86%	0.864	79%	0.787	S	S	*	*			trans	66.3	137.9	142.5	-87.7	179.7	173.5	179.1	-1.8	126
111	K	27.5	Very low	30.8	Very low	166 Å²	166	148.4 Å²	148.4	72%	0.722	79%	0.791	S	S	*	*			trans	74.9	167.4	146.5	-74.6	-174.9	89.4	-76.1	0	119.8
112	T	26.4	Very low	30.7	Very low	96 Å²	96	143.9 Å²	143.9	59%	0.589	78%	0.784	S	S	*	*				178.7	157.9	-56.7	44.2	0	0	0	0	112.1
113	Q	28	Very low	30.5	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	79%	0.789	S	S	*	*			trans	73.4	164.8	161.4	-78.9	-178.4	-30.6	0	0	116.8
114	P	41.1	Very low	30.2	Very low	112 Å²	112	149 Å²	149	73%	0.727	80%	0.8	S	S	*	*			cis	-143.4	178.8	-43.8	42	-25.7	0	0	0	115.9
115	A	26.4	Very low	31.3	Very low	81 Å²	81	142.8 Å²	142.8	67%	0.669	79%	0.791	S	S	*	*			trans	70.7	144.4	141.6	0	0	0	0	0	124.3
116	E	27.1	Very low	31.3	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	79%	0.79	S	S	*	*			trans	62.9	158.8	149.2	-70.6	174	-151.7	0	0	120.1
117	T	25.8	Very low	31	Very low	134 Å²	134	137.3 Å²	137.3	82%	0.822	79%	0.785	S	S	*	*			cis	-143.8	-178	-8.8	-3.2	0	0	0	0	111.8
118	A	28	Very low	31.3	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	78%	0.783	S	S	*	*			trans	-88.6	166.6	-169.4	0	0	0	0	0	117.3
119	S	26.7	Very low	31.2	Very low	125 Å²	125	130.8 Å²	130.8	87%	0.874	78%	0.777	S	S	*	*			trans	-178.5	157.7	133	34.1	0	0	0	0	113.8
120	A	30.2	Very low	30.8	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	78%	0.778	S	S	*	*			trans	-123	-175.3	165.1	0	0	0	0	0	107.5
121	P	41.2	Very low	30.8	Very low	133 Å²	133	122 Å²	122	86%	0.864	78%	0.78	S	S	*	*			cis	-130	-163.3	33.3	43.7	-24.4	0	0	0	112.6
122	G	29.3	Very low	30.8	Very low	62 Å²	62	117.5 Å²	117.5	64%	0.639	78%	0.78	S	S	*	*			cis	179.5	-171.2	2.4	0	0	0	0	0	115
123	D	26.4	Very low	31.1	Very low	167 Å²	167	119.4 Å²	119.4	89%	0.893	79%	0.791	S	S	*	*			trans	83.7	141.7	157.7	-58	-10.2	0	0	0	123.7
124	L	31.9	Very low	31.3	Very low	163 Å²	163	116.8 Å²	116.8	85%	0.853	79%	0.787	S	S	*	*			trans	-147.1	158	177.2	-80.3	170.9	0	0	0	108.3
125	P	50.2	Low	30.9	Very low	110 Å²	110	118.7 Å²	118.7	71%	0.714	79%	0.786	S	S	*	*				-133.5	140.3	118.3	7	15.5	0	0	0	111.8
126	T	33.7	Very low	31	Very low	140 Å²	140	121.3 Å²	121.3	86%	0.859	79%	0.789	S	S	*	*				59.1	138.7	78	68.8	0	0	0	0	115.9
127	G	29.7	Very low	31.2	Very low	65 Å²	65	117.6 Å²	117.6	67%	0.67	78%	0.783	S	S	*	*			cis	-176	179.9	-5.4	0	0	0	0	0	115.2
128	E	32.7	Very low	31.6	Very low	181 Å²	181	117 Å²	117	85%	0.846	78%	0.778	S	S	*	*			trans	66.3	149.4	139.7	-60.4	-165.8	-177.5	0	0	121.9
129	T	29	Very low	31.9	Very low	129 Å²	129	120 Å²	120	79%	0.791	78%	0.777	S	S	*	*			cis	-157.7	171.7	-7	16.2	0	0	0	0	109.5
130	G	28.1	Very low	32.1	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	77%	0.772	S	S	*	*			cis	-179.7	-19.3	-2.3	0	0	0	0	0	120.4
131	G	26.9	Very low	32.1	Very low	87 Å²	87	125 Å²	125	90%	0.897	77%	0.771	S	S	*	*			trans	-174.3	-179.7	-174.9	0	0	0	0	0	117.8
132	G	28.9	Very low	31.5	Very low	71 Å²	71	125.7 Å²	125.7	73%	0.732	77%	0.767	S	S	*	*			cis	162.3	164.3	-3.9	0	0	0	0	0	111.6
133	V	32.1	Very low	31.3	Very low	136 Å²	136	125.6 Å²	125.6	82%	0.824	77%	0.766	S	S	*	*			cis	-120.6	-102.5	-4.6	-169	0	0	0	0	111
134	V	32.9	Very low	31.3	Very low	120 Å²	120	122.7 Å²	122.7	73%	0.727	76%	0.759	S	S	*	*			cis	-146.6	108.4	-5.6	178.3	0	0	0	0	109.9
135	E	32.5	Very low	31.1	Very low	152 Å²	152	123.1 Å²	123.1	71%	0.71	76%	0.761	S	S	*	*			trans	50.6	154	137.8	-57.4	-170.8	178	0	0	123.5
136	N	27.4	Very low	30.3	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	77%	0.769	S	S	*	*			cis	-137	170	18.9	-131.4	-51.7	0	0	0	114.8
137	S	31.8	Very low	30.4	Very low	101 Å²	101	127.1 Å²	127.1	71%	0.706	77%	0.768	S	S	*	*			trans	-141.8	-142.8	-162.6	72.2	0	0	0	0	115.4
138	V	34.3	Very low	30.2	Very low	120 Å²	120	133.4 Å²	133.4	73%	0.727	78%	0.777	S	S	*	*			trans	72.9	131.5	-175.3	179.1	0	0	0	0	113.7
139	H	34.5	Very low	30	Very low	154 Å²	154	135.7 Å²	135.7	71%	0.713	78%	0.778	S	S	*	*			cis	-167.6	-177.8	-16	-105.6	-13.7	0	0	0	107.8
140	Q	31	Very low	29.9	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	78%	0.778	S	S	*	*			cis	-144.1	-128.7	7.6	-147.1	165.5	9.1	0	0	112.4
141	E	29.1	Very low	29.8	Very low	160 Å²	160	146 Å²	146	75%	0.748	79%	0.785	S	S	*	*			trans	-122.7	-178.3	-171.8	-51.2	177.8	134.3	0	0	111.4
142	N	28.5	Very low	29.7	Very low	146 Å²	146	148.2 Å²	148.2	78%	0.781	78%	0.782	S	S	*	*			cis	-166.4	175.2	23.7	-145.3	-48.5	0	0	0	112.1
143	G	26.7	Very low	29.6	Very low	60 Å²	60	156.2 Å²	156.2	62%	0.619	79%	0.79	S	S	*	*			trans	106.5	74.8	148.3	0	0	0	0	0	123.7
144	S	25.5	Very low	29.4	Very low	107 Å²	107	159.9 Å²	159.9	75%	0.748	79%	0.794	S	S	*	*			trans	29.6	131.4	138	67.8	0	0	0	0	126.2
145	L	26.9	Very low	29.2	Very low	172 Å²	172	163.9 Å²	163.9	90%	0.901	80%	0.802	S	S	*	*			trans	73.5	149.2	131.6	-68	172.5	0	0	0	124.2
146	K	34.9	Very low	29.2	Very low	205 Å²	205	162 Å²	162	89%	0.891	80%	0.803	S	S	*	*			trans	-100.3	141.1	178.1	-60.4	174.7	-179.2	174.5	0	112.9
147	P	34.5	Very low	29.3	Very low	128 Å²	128	161.2 Å²	161.2	83%	0.831	80%	0.803	S	S	*	*			trans	-105.3	157.6	157.3	35.5	-29.1	0	0	0	113.5
148	K	26.1	Very low	29.1	Very low	197 Å²	197	165.7 Å²	165.7	86%	0.857	81%	0.813	S	S	*	*			trans	-111.1	143.3	167.9	-58.1	168.4	-178.9	169.2	0	108.8
149	R	28	Very low	29	Very low	229 Å²	229	168 Å²	168	86%	0.864	82%	0.815	S	S	*	*				161.6	160.1	122.3	-96.7	171.8	159.3	161.1	-5.2	117.1
150	K	26.9	Very low	28.7	Very low	183 Å²	183	167.9 Å²	167.9	80%	0.796	83%	0.825	S	S	*	*			trans	74.4	108	147.6	-79.2	166.8	176.7	-173.9	0	119.5
151	Y	25.8	Very low	28.5	Very low	237 Å²	237	167.8 Å²	167.8	93%	0.929	82%	0.822	S	S	*	*			trans	-75.5	139	143.4	-87.4	-100.6	0	0	0	110.6
152	V	26.1	Very low	28.6	Very low	135 Å²	135	165.3 Å²	165.3	82%	0.818	81%	0.814	S	S	*	*			trans	-145.4	143.8	150.4	-177.1	0	0	0	0	107.9
153	R	25.4	Very low	29.5	Very low	239 Å²	239	163.5 Å²	163.5	90%	0.902	81%	0.81	S	S	*	*			trans	-66.8	152.9	175.8	-74.3	171.3	160.6	167.9	-9.4	112.4
154	K	29.4	Very low	30.5	Very low	212 Å²	212	165.3 Å²	165.3	92%	0.922	81%	0.811	S	S	*	*			trans	-126.1	161	150.7	-94.2	-167	171.9	-170.8	0	110.9
155	K	27.1	Very low	30.7	Very low	205 Å²	205	167 Å²	167	89%	0.891	81%	0.812	S	S	*	*			trans	-82.7	168.2	174.8	-87.3	-174.8	172.7	-172.6	0	111.2
156	P	34.1	Very low	31	Very low	111 Å²	111	167.8 Å²	167.8	72%	0.721	81%	0.811	S	S	*	*			trans	-103.6	174.7	-170.9	42	-36.8	0	0	0	114.6
157	V	29.3	Very low	30.8	Very low	119 Å²	119	165.2 Å²	165.2	72%	0.721	80%	0.802	S	S	*	*			trans	70.1	131	164.4	-166.4	0	0	0	0	118	E159	V157-E159 HydrophobicContact CG1-CG 3.66Å
158	E	26.7	Very low	30.6	Very low	196 Å²	196	166.7 Å²	166.7	92%	0.916	80%	0.795	S	S	*	*			trans	-141.4	140.8	141.8	-158.1	160.2	-125.3	0	0	106.5
159	E	31.9	Very low	31.3	Very low	168 Å²	168	162.9 Å²	162.9	79%	0.785	79%	0.791	S	S	*	*			trans	-111.7	167.6	-170.8	-68.8	174.6	132.6	0	0	111.9	V157	V157-E159 HydrophobicContact CG1-CG 3.66Å
160	V	28.3	Very low	31.8	Very low	151 Å²	151	159.5 Å²	159.5	92%	0.915	79%	0.79	S	S	*	*			trans	-109.2	126.6	166.7	-179.8	0	0	0	0	109.5
161	K	28.5	Very low	32.3	Very low	163 Å²	163	156.2 Å²	156.2	71%	0.709	79%	0.787	S	S	*	*			trans	-90.5	174.8	-174.5	-94.2	173.7	146.8	-74.2	0	111.6
162	D	29.3	Very low	32.9	Very low	109 Å²	109	151.3 Å²	151.3	58%	0.583	78%	0.784	S	S	*	*			cis	-159.8	-161.9	7.1	-121.9	-17.6	0	0	0	107.3
163	P	48.3	Very low	33.6	Very low	108 Å²	108	149.5 Å²	149.5	70%	0.701	78%	0.783	S	S	*	*			cis	-110.1	-70.9	-27.7	16.8	-5.2	0	0	0	121.1
164	P	47.2	Very low	33.9	Very low	97 Å²	97	147 Å²	147	63%	0.63	78%	0.782	S	S	*	*			trans	-128.6	-153.8	-138.9	40.8	-17.6	0	0	0	112.7
165	D	30.9	Very low	34.3	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	77%	0.773	S	S	*	*			cis	-159	-179.3	12.6	-137.7	-40.2	0	0	0	113.6
166	E	31.6	Very low	34.7	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	77%	0.773	S	S	*	*			trans	66.7	149.7	179.1	-65.8	-156.7	163.6	0	0	118.4
167	E	31.2	Very low	35	Very low	151 Å²	151	143.1 Å²	143.1	71%	0.706	78%	0.776	S	S	*	*			trans	-126.8	148.4	-154	-73.2	-162.3	121.8	0	0	115.9
168	K	30.3	Very low	35.1	Very low	159 Å²	159	147 Å²	147	69%	0.691	79%	0.787	S	S	*	*			trans	70.3	168	145.7	-74.4	161.2	-167.2	154	0	118
169	P	40.2	Very low	35.7	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	78%	0.778	S	S	*	*			cis	-122.1	167.8	-1.5	39.8	-26.5	0	0	0	116
170	D	38.6	Very low	35.5	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-85.2	146.2	172.7	-61.1	-67.6	0	0	0	113.9
171	P	37.8	Very low	35.8	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-101.1	165.7	158.3	36.7	-29.2	0	0	0	112.6
172	P	37.7	Very low	36	Very low	134 Å²	134	140 Å²	140	87%	0.87	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.7	170.8	-147.5	35.8	-38.3	0	0	0	116.9
173	A	41.7	Very low	36.1	Very low	97 Å²	97	138.5 Å²	138.5	80%	0.802	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-99.2	147	175.4	0	0	0	0	0	112.9
174	E	32.1	Very low	35.7	Very low	186 Å²	186	145 Å²	145	87%	0.869	81%	0.807	S	S	*	*			trans	179.9	161.4	153.3	-108.8	-174.1	-134.4	0	0	109
175	P	36.9	Very low	35.3	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	82%	0.818	S	S	*	*			cis	-121.9	-174.5	-32.4	36.5	-20.7	0	0	0	111.9
176	D	35.7	Very low	36.2	Very low	168 Å²	168	155.5 Å²	155.5	90%	0.898	82%	0.823	S	S	*	*			trans	-74	168.1	-177.8	-79.7	-62	0	0	0	115.7
177	E	41.5	Very low	37.6	Very low	167 Å²	167	157.2 Å²	157.2	78%	0.78	82%	0.821	S	S	*	*			trans	-68.4	137.1	179.8	-62.9	-171.8	145.4	0	0	113.4
178	E	29.8	Very low	39.1	Very low	201 Å²	201	152.8 Å²	152.8	94%	0.939	82%	0.816	S	S	*	*			trans	-106.7	152.3	152.8	-89.2	-153.4	146.6	0	0	111.9
179	V	39.4	Very low	40.4	Very low	120 Å²	120	149.3 Å²	149.3	73%	0.727	82%	0.817	S	S	*	*			trans	-98.8	132	-161.4	175.7	0	0	0	0	112.6
180	Q	28	Very low	41.1	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	81%	0.807	S	S	*	*			trans	-149.9	166.3	144.8	-120	161.3	88.4	0	0	113.1
181	T	34.2	Very low	42.3	Very low	135 Å²	135	147 Å²	147	83%	0.828	80%	0.8	S	S	*	*			trans	-106.9	133.4	-146.1	50.1	0	0	0	0	115.3
182	G	33	Very low	43.7	Very low	82 Å²	82	144.5 Å²	144.5	85%	0.845	79%	0.788	S	S	*	*			trans	138.4	148.8	159.6	0	0	0	0	0	115.4
183	G	32.9	Very low	45	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	77%	0.768	S	S	*	*			trans	101.9	124.9	166.3	0	0	0	0	0	116.8	R185	G183-R185 PolarHBondContact O-N 2.81Å
184	R	38	Very low	46.3	Very low	246 Å²	246	140.8 Å²	140.8	93%	0.928	76%	0.755	S	S	*	*			trans	-86.4	101.4	-175.1	-159.9	178	-168	-180	5.9	111.7	R186	R184-R186 PolarHBondContact O-N 3.31Å
185	R	40.2	Very low	48.1	Very low	228 Å²	228	138.5 Å²	138.5	86%	0.86	74%	0.742	S	S	*	*			trans	-55.8	112.6	-175.6	-62.5	-178.5	178.9	-174.9	-0	113.7	G183	G183-R185 PolarHBondContact O-N 2.81Å
186	R	49.7	Very low	49.8	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	74%	0.736	S	S	*	*			trans	-149.3	49.1	172.7	-89.9	-159.9	174.8	-172.2	-0.3	116.3	R184	R184-R186 PolarHBondContact O-N 3.31Å
187	R	59.7	Low	51.6	Low	224 Å²	224	137.9 Å²	137.9	85%	0.845	72%	0.721	S	S	*	*			trans	-133.8	18.3	171.6	-72.9	-167.4	177.7	175.2	1.3	116.7	K191	R187-K191 PolarHBondContact O-N 2.82Å
188	G	63.5	Low	53.1	Low	59 Å²	59	135.5 Å²	135.5	61%	0.608	71%	0.71	S	S	*	*	H	α-helix	trans	-60.6	-57.4	179.9	0	0	0	0	0	114.3	A190 K191 A192	G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 2.72Å; G188-K191 PolarHBondContact O-N 2.83Å; G188-K191 VanDerWaalsContact O-N 3.15Å; G188-A192 PolarHBondContact O-N 3.07Å; G188-A192 VanDerWaalsContact O-N 3.07Å
189	A	57.8	Low	55.3	Low	86 Å²	86	131.3 Å²	131.3	71%	0.711	69%	0.694	S	S	*	*	H	α-helix	trans	-59.6	-40.1	-176.6	0	0	0	0	0	113.4	K191 A192 A193	A189-K191 PolarHBondContact O-N 3.26Å; A189-A192 PolarHBondContact O-N 2.67Å; A189-A193 WeakPolarHBondContact O-CB 3.32Å; A189-A193 PolarHBondContact O-N 2.65Å
190	A	54.3	Low	56.5	Low	65 Å²	65	128.6 Å²	128.6	54%	0.537	68%	0.675	S	S	.	*	H	α-helix	trans	-62.8	-41.9	176.8	0	0	0	0	0	112.2	G188 A192 A193 L194	G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 2.72Å; A190-A192 VanDerWaalsContact C-N 3.32Å; A190-A192 PolarHBondContact O-N 3.32Å; A190-A193 PolarHBondContact O-N 3.24Å; A190-L194 WeakPolarHBondContact O-CB 3.49Å; A190-L194 PolarHBondContact O-N 3.13Å
191	K	63.9	Low	58.2	Low	161 Å²	161	121.7 Å²	121.7	70%	0.7	65%	0.65	S	S	*	*	H	α-helix	trans	-70.2	-28.7	178.5	-157.5	171.1	-173.8	177.9	0	112.3	R187 G188 A189 K195	R187-K191 PolarHBondContact O-N 2.82Å; G188-K191 PolarHBondContact O-N 2.83Å; G188-K191 VanDerWaalsContact O-N 3.15Å; A189-K191 PolarHBondContact O-N 3.26Å; K191-K195 PolarHBondContact O-N 3.47Å
192	A	68	Low	59.7	Low	60 Å²	60	123 Å²	123	50%	0.496	65%	0.645	S	S	.	*	H	α-helix	trans	-71.8	-46.8	171.3	0	0	0	0	0	112.3	G188 A189 A190 L194 K195 Y196	G188-A192 PolarHBondContact O-N 3.07Å; G188-A192 VanDerWaalsContact O-N 3.07Å; A189-A192 PolarHBondContact O-N 2.67Å; A190-A192 VanDerWaalsContact C-N 3.32Å; A190-A192 PolarHBondContact O-N 3.32Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 2.98Å; A192-K195 PolarHBondContact O-N 2.93Å; A192-Y196 PolarHBondContact O-N 3.04Å
193	A	64.3	Low	61.2	Low	53 Å²	53	125 Å²	125	44%	0.438	63%	0.632	S	S	.	*	H	α-helix	trans	-60.5	-39.4	177.4	0	0	0	0	0	112.5	A189 A190 Y196 L197	A189-A193 WeakPolarHBondContact O-CB 3.32Å; A189-A193 PolarHBondContact O-N 2.65Å; A190-A193 PolarHBondContact O-N 3.24Å; A193-Y196 PolarHBondContact O-N 3.15Å; A193-L197 WeakPolarHBondContact O-CG 3.25Å; A193-L197 PolarHBondContact O-N 2.86Å
194	L	68.5	Low	62.7	Low	101 Å²	101	126.5 Å²	126.5	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-64.5	-42	176.4	-135.6	170.6	0	0	0	111.7	A190 A192 Y196 L197 Q198	A190-L194 WeakPolarHBondContact O-CB 3.49Å; A190-L194 PolarHBondContact O-N 3.13Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 2.98Å; L194-Y196 PolarHBondContact O-N 2.92Å; L194-L197 PolarHBondContact O-N 2.78Å; L194-Q198 HydrophobicContact CD2-CG 4.12Å; L194-Q198 WeakPolarHBondContact O-CB 3.42Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.39Å; L194-Q198 PolarHBondContact O-N 3.06Å
195	K	71.1	Confident	63.4	Low	138 Å²	138	123.4 Å²	123.4	60%	0.6	62%	0.619	S	S	*	*	H	α-helix	trans	-62.4	-39.6	172.7	-81.3	-168.3	171	-165.9	0	112.7	K191 A192 Q198 L199	K191-K195 PolarHBondContact O-N 3.47Å; A192-K195 PolarHBondContact O-N 2.93Å; K195-Q198 PolarHBondContact O-N 2.95Å; K195-L199 PolarHBondContact O-N 2.85Å
196	Y	72.5	Confident	63.6	Low	153 Å²	153	116.2 Å²	116.2	60%	0.6	60%	0.603	S	S	*	*	H	α-helix	trans	-65	-43.5	178.4	-178.1	-111	0	0	0	112.1	A192 A193 L194 Q198 L199 L200	A192-Y196 PolarHBondContact O-N 3.04Å; A193-Y196 PolarHBondContact O-N 3.15Å; L194-Y196 PolarHBondContact O-N 2.92Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.08Å; Y196-L199 PolarHBondContact O-N 3.16Å; Y196-L200 HydrophobicContact CD1-CD1 4.02Å; Y196-L200 HydrophobicContact CE1-CD1 3.53Å; Y196-L200 HydrophobicContact CE1-CG 4.44Å; Y196-L200 PolarHBondContact O-N 2.85Å
197	L	72.6	Confident	63.2	Low	114 Å²	114	112.5 Å²	112.5	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-64.4	-35.7	173.7	-70	169.6	0	0	0	112.5	A193 L194 L199 A201	A193-L197 WeakPolarHBondContact O-CG 3.25Å; A193-L197 PolarHBondContact O-N 2.86Å; L194-L197 PolarHBondContact O-N 2.78Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-A201 WeakPolarHBondContact O-CB 3.45Å; L197-A201 PolarHBondContact O-N 3.44Å
198	Q	73.7	Confident	62.3	Low	118 Å²	118	107.6 Å²	107.6	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-69.6	-28.1	174.7	-74.5	174.2	-25.5	0	0	113.4	L194 K195 Y196 K202	L194-Q198 HydrophobicContact CD2-CG 4.12Å; L194-Q198 WeakPolarHBondContact O-CB 3.42Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.39Å; L194-Q198 PolarHBondContact O-N 3.06Å; K195-Q198 PolarHBondContact O-N 2.95Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.08Å; Q198-K202 PolarHBondContact O-N 2.83Å
199	L	76.9	Confident	60.8	Low	113 Å²	113	116.2 Å²	116.2	59%	0.592	61%	0.607	S	S	*	*	H	α-helix	trans	-71.8	-51.8	171.6	-79.7	162.8	0	0	0	111	K195 Y196 L197 A201 K202 E203	K195-L199 PolarHBondContact O-N 2.85Å; Y196-L199 PolarHBondContact O-N 3.16Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L199-A201 VanDerWaalsContact C-N 3.27Å; L199-A201 PolarHBondContact O-N 3.41Å; L199-K202 PolarHBondContact O-N 3.13Å; L199-E203 PolarHBondContact O-N 2.99Å
200	L	63.4	Low	59.5	Low	62 Å²	62	120.1 Å²	120.1	33%	0.325	62%	0.616	S	S	.	*	H	α-helix	trans	-54.8	-41.3	175.8	-79.9	168.5	0	0	0	112.4	Y196 K202 E203 V204	Y196-L200 HydrophobicContact CD1-CD1 4.02Å; Y196-L200 HydrophobicContact CE1-CD1 3.53Å; Y196-L200 HydrophobicContact CE1-CG 4.44Å; Y196-L200 PolarHBondContact O-N 2.85Å; L200-K202 VanDerWaalsContact C-N 3.35Å; L200-K202 PolarHBondContact O-N 2.83Å; L200-E203 PolarHBondContact O-N 3.05Å; L200-V204 WeakPolarHBondContact O-CG2 3.16Å; L200-V204 PolarHBondContact O-N 3.06Å
201	A	64.9	Low	58.7	Low	47 Å²	47	125.7 Å²	125.7	39%	0.388	63%	0.631	S	S	.	*	H	α-helix	trans	-61.4	-40.9	175.7	0	0	0	0	0	112.4	L197 L199 F205	L197-A201 WeakPolarHBondContact O-CB 3.45Å; L197-A201 PolarHBondContact O-N 3.44Å; L199-A201 VanDerWaalsContact C-N 3.27Å; L199-A201 PolarHBondContact O-N 3.41Å; A201-F205 WeakPolarHBondContact O-CD2 3.44Å; A201-F205 PolarHBondContact O-N 3.41Å
202	K	64.4	Low	57.1	Low	163 Å²	163	126 Å²	126	71%	0.709	64%	0.64	S	S	*	*	H	α-helix	trans	-68.8	-33.7	176.1	-77.7	-171.2	172	-166.4	0	113	Q198 L199 L200 S206	Q198-K202 PolarHBondContact O-N 2.83Å; L199-K202 PolarHBondContact O-N 3.13Å; L200-K202 VanDerWaalsContact C-N 3.35Å; L200-K202 PolarHBondContact O-N 2.83Å; K202-S206 WeakPolarHBondContact O-CB 3.4Å; K202-S206 PolarHBondContact O-N 2.92Å; K202-S206 PolarHBondContact O-OG 3.26Å
203	E	64.4	Low	55.3	Low	125 Å²	125	128 Å²	128	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-71.1	-38.7	-179.8	-165.9	166.6	-145.3	0	0	112.1	L199 L200 S206	L199-E203 PolarHBondContact O-N 2.99Å; L200-E203 PolarHBondContact O-N 3.05Å; E203-S206 PolarHBondContact O-OG 2.86Å
204	V	65.4	Low	53.9	Low	108 Å²	108	130.5 Å²	130.5	66%	0.655	66%	0.656	S	S	*	*	H	α-helix	trans	-72.4	-30.7	177.6	171.5	0	0	0	0	113.1	L200	L200-V204 WeakPolarHBondContact O-CG2 3.16Å; L200-V204 PolarHBondContact O-N 3.06Å
205	F	51.4	Low	52.1	Low	181 Å²	181	133 Å²	133	79%	0.794	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	10.7	-176.3	-66.2	-55.8	0	0	0	115.2	A201	A201-F205 WeakPolarHBondContact O-CD2 3.44Å; A201-F205 PolarHBondContact O-N 3.41Å
206	S	45.8	Very low	50	Low	77 Å²	77	132.2 Å²	132.2	54%	0.538	67%	0.665	S	S	.	*	S	Bend	trans	-108	2	-174	58.2	0	0	0	0	116.2	K202 E203	K202-S206 WeakPolarHBondContact O-CB 3.4Å; K202-S206 PolarHBondContact O-N 2.92Å; K202-S206 PolarHBondContact O-OG 3.26Å; E203-S206 PolarHBondContact O-OG 2.86Å
207	H	41	Very low	48	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.718	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-102	120.1	179.8	-75	75.2	0	0	0	111.8
208	P	40.5	Very low	45.9	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-64.6	161.8	171.3	-20.5	33.5	0	0	0	112.8
209	R	31.9	Very low	43.8	Very low	240 Å²	240	133.9 Å²	133.9	91%	0.906	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-101.8	130.5	163.9	-72.1	179.3	172.6	-179.8	-3.5	108.9
210	D	31.3	Very low	41.5	Very low	168 Å²	168	136.7 Å²	136.7	90%	0.898	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-86	153.3	158.3	-71.5	-44.3	0	0	0	110.3
211	E	36.1	Very low	39.7	Very low	181 Å²	181	143 Å²	143	85%	0.846	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-98.3	165.8	-172	-55.2	-179.1	120	0	0	112.6
212	L	31	Very low	37.9	Very low	169 Å²	169	145.5 Å²	145.5	89%	0.885	73%	0.732	S	S	*	*			trans	-163.3	72.1	141.6	-108.1	163	0	0	0	112.8
213	D	31.1	Very low	36.1	Very low	102 Å²	102	145.3 Å²	145.3	55%	0.545	73%	0.733	S	S	.	*				69.8	155.2	120.1	-154.7	13.2	0	0	0	122.3	K215	D213-K215 WeakPolarHBondContact OD1-CE 3.31Å; D213-K215 IonicContact OD1-NZ 2.69Å; D213-K215 PolarHBondContact OD1-NZ 3.23Å; D213-K215 IonicContact OD2-NZ 3.05Å; D213-K215 PolarHBondContact OD2-NZ 3.46Å
214	S	33.2	Very low	34.3	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	73%	0.732	S	S	*	*			trans	86	131.3	164.8	74.4	0	0	0	0	120.4
215	K	30.7	Very low	32.3	Very low	152 Å²	152	147.8 Å²	147.8	66%	0.661	74%	0.735	S	S	*	*			cis	179	167.1	-27.5	-110.7	152.7	-175.1	151.3	0	108.3	D213	D213-K215 WeakPolarHBondContact OD1-CE 3.31Å; D213-K215 IonicContact OD1-NZ 2.69Å; D213-K215 PolarHBondContact OD1-NZ 3.23Å; D213-K215 IonicContact OD2-NZ 3.05Å; D213-K215 PolarHBondContact OD2-NZ 3.46Å
216	L	28.3	Very low	31	Very low	123 Å²	123	144.3 Å²	144.3	64%	0.644	73%	0.733	S	S	*	*			cis	-153	158.6	6.8	-110.6	-179.8	0	0	0	108.6
217	H	30.7	Very low	30.1	Very low	132 Å²	132	145.3 Å²	145.3	61%	0.611	74%	0.74	S	S	*	*			trans	58.3	153.6	151	-65.2	-45.4	0	0	0	122.7
218	E	28.9	Very low	29.4	Very low	147 Å²	147	146.2 Å²	146.2	69%	0.687	74%	0.742	S	S	*	*			cis	-168	-166.4	-30.3	-152.6	130.7	-93	0	0	109.5
219	D	28.2	Very low	28.8	Very low	140 Å²	140	148.5 Å²	148.5	75%	0.749	74%	0.743	S	S	*	*			trans	70	137	167.9	-53.1	-24.8	0	0	0	117.9
220	E	28.4	Very low	28.4	Very low	172 Å²	172	143 Å²	143	80%	0.804	74%	0.735	S	S	*	*			cis	-153.7	152.9	-6	-141.3	-177.4	-157.4	0	0	110
221	E	27.3	Very low	28.1	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	74%	0.737	S	S	*	*			trans	-102	133.5	166.5	-87.7	-159.6	136.5	0	0	111
222	S	26.7	Very low	27.6	Very low	101 Å²	101	140 Å²	140	71%	0.706	73%	0.732	S	S	*	*			trans	-154.6	115.1	153.2	47.5	0	0	0	0	115.7
223	E	25.3	Very low	27.5	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	74%	0.736	S	S	*	*				60.2	114	129	-66.5	-115.3	91.6	0	0	122.9
224	Q	26.4	Very low	27.3	Very low	121 Å²	121	148.6 Å²	148.6	57%	0.565	75%	0.751	S	S	*	*				101.6	136.2	120.6	-78.2	-178.1	24.7	0	0	124.3
225	K	24	Very low	27.1	Very low	164 Å²	164	154.9 Å²	154.9	71%	0.713	76%	0.758	S	S	*	*			trans	78.1	79	143.2	-73.7	163.5	-179.1	155.4	0	120.8
226	S	24.1	Very low	27	Very low	108 Å²	108	155.4 Å²	155.4	76%	0.755	76%	0.761	S	S	*	*				37.5	133.5	112.9	67.7	0	0	0	0	121.2
227	S	26.7	Very low	27.1	Very low	99 Å²	99	154.6 Å²	154.6	69%	0.692	76%	0.761	S	S	*	*				-177.4	156.8	96.7	59.8	0	0	0	0	114.8
228	K	27.8	Very low	27	Very low	173 Å²	173	155 Å²	155	75%	0.752	77%	0.767	S	S	*	*			trans	65.1	117.9	159.8	-70.9	163.1	-176.6	173.6	0	117
229	Q	26.6	Very low	27	Very low	170 Å²	170	155 Å²	155	79%	0.794	77%	0.772	S	S	*	*				62.5	130.2	81.2	-71	-177	-31.8	0	0	112.6
230	T	23.8	Very low	27.1	Very low	123 Å²	123	154.6 Å²	154.6	76%	0.755	77%	0.774	S	S	*	*			cis	-158.2	145.8	22.1	-32.1	0	0	0	0	111.6
231	K	24.7	Very low	27.2	Very low	213 Å²	213	155.4 Å²	155.4	93%	0.926	78%	0.778	S	S	*	*				-179.9	147.1	127.9	-103.2	167.4	-175.8	177.3	0	111.9
232	G	26.1	Very low	27.4	Very low	73 Å²	73	155.3 Å²	155.3	75%	0.753	78%	0.775	S	S	*	*			trans	-174.4	130.1	166.1	0	0	0	0	0	112.7
233	R	27.7	Very low	27.6	Very low	257 Å²	257	158.4 Å²	158.4	97%	0.97	78%	0.783	S	S	*	*			trans	-158.8	141.7	147.5	-120.5	174.6	178.2	177	-1.4	110.6
234	K	27.9	Very low	27.7	Very low	195 Å²	195	159.9 Å²	159.9	85%	0.848	79%	0.788	S	S	*	*			trans	-89.3	175.2	175.9	-70	-177.8	172.4	-177.3	0	111
235	R	29.9	Very low	27.8	Very low	238 Å²	238	160.3 Å²	160.3	90%	0.898	80%	0.798	S	S	*	*			trans	101.7	140.7	158.6	-58.5	173.8	179.5	179.1	-0.9	113.5
236	K	27.9	Very low	28.3	Very low	163 Å²	163	157.5 Å²	157.5	71%	0.709	80%	0.796	S	S	*	*			cis	-151.4	165.5	1.2	-141.3	-176.9	152.4	-113.4	0	111.7	D238	K236-D238 IonicContact NZ-OD1 2.76Å; K236-D238 PolarHBondContact NZ-OD1 2.97Å; K236-D238 IonicContact NZ-OD2 2.72Å
237	V	30.8	Very low	28.4	Very low	106 Å²	106	160 Å²	160	64%	0.642	80%	0.802	S	S	*	*			trans	-91.9	150.2	162.2	176.9	0	0	0	0	108.5
238	D	27.4	Very low	28.6	Very low	139 Å²	139	163.2 Å²	163.2	74%	0.743	81%	0.807	S	S	*	*			trans	-143.9	141.3	149.2	-69.8	-54.8	0	0	0	109	K236	K236-D238 IonicContact NZ-OD1 2.76Å; K236-D238 PolarHBondContact NZ-OD1 2.97Å; K236-D238 IonicContact NZ-OD2 2.72Å
239	D	29.5	Very low	28.5	Very low	147 Å²	147	164 Å²	164	79%	0.786	81%	0.814	S	S	*	*			trans	-104	147.7	-176.9	-69.8	-65.5	0	0	0	112.2
240	V	30.9	Very low	28.6	Very low	132 Å²	132	163.1 Å²	163.1	80%	0.8	82%	0.815	S	S	*	*			trans	-149	115.6	153.7	-174.1	0	0	0	0	110.7
241	E	30.4	Very low	28.8	Very low	189 Å²	189	166.8 Å²	166.8	88%	0.883	82%	0.823	S	S	*	*			trans	-87.4	149.4	161.8	-67.6	-178.1	125.2	0	0	110.7
242	K	31.7	Very low	29.3	Very low	192 Å²	192	166 Å²	166	84%	0.835	82%	0.823	S	S	*	*			trans	-145.8	139.4	157.8	-76.3	-160.9	174.5	-178.2	0	111.4
243	D	31	Very low	29.4	Very low	166 Å²	166	167.2 Å²	167.2	89%	0.888	83%	0.826	S	S	*	*			trans	-73.9	161.9	-171.4	-61.3	-80.1	0	0	0	115.4
244	F	25.7	Very low	29.6	Very low	190 Å²	190	163 Å²	163	83%	0.833	82%	0.822	S	S	*	*			trans	-117.6	128.9	175.3	-167.9	-86.3	0	0	0	110
245	V	29.9	Very low	29.8	Very low	130 Å²	130	162.6 Å²	162.6	79%	0.788	82%	0.824	S	S	*	*			trans	-107.9	120.7	177.3	179.5	0	0	0	0	109.3
246	P	34.8	Very low	29.8	Very low	104 Å²	104	160.8 Å²	160.8	68%	0.675	83%	0.825	S	S	*	*			trans	-83.1	145.1	175	33.7	-33.1	0	0	0	111
247	N	25.6	Very low	29.8	Very low	162 Å²	162	159.8 Å²	159.8	87%	0.866	82%	0.823	S	S	*	*			trans	-132.7	154.5	159.8	-156.7	44.7	0	0	0	109.2
248	M	30.3	Very low	29.7	Very low	165 Å²	165	164.2 Å²	164.2	81%	0.813	84%	0.837	S	S	*	*			trans	-95.8	153	179	-51.9	-177.4	-163	0	0	110.2
249	E	26.8	Very low	29.7	Very low	189 Å²	189	165.9 Å²	165.9	88%	0.883	83%	0.834	S	S	*	*				-173.5	174.9	107.7	-96.8	164.1	-171.2	0	0	109.6
250	D	28.2	Very low	29.5	Very low	153 Å²	153	167.6 Å²	167.6	82%	0.818	84%	0.837	S	S	*	*			trans	-84.8	158.6	-167.2	-46.3	-88.9	0	0	0	113.7
251	E	28.7	Very low	29.4	Very low	199 Å²	199	172 Å²	172	93%	0.93	84%	0.841	S	S	*	*				-174.5	160.6	129.6	-104.8	172.5	-171.3	0	0	112.1
252	E	33.4	Very low	29.2	Very low	198 Å²	198	170.6 Å²	170.6	93%	0.925	83%	0.834	S	S	*	*			trans	-96.9	137.1	177.5	-62.8	176.6	138.4	0	0	110.8
253	A	29.8	Very low	29	Very low	97 Å²	97	170.5 Å²	170.5	80%	0.802	84%	0.837	S	S	*	*			trans	-155.8	131.2	162.7	0	0	0	0	0	111.2
254	D	31.6	Very low	28.8	Very low	168 Å²	168	169 Å²	169	90%	0.898	83%	0.834	S	S	*	*			trans	-81.9	128.6	162.2	-63.6	-64.9	0	0	0	109.1
255	E	31.2	Very low	28.8	Very low	188 Å²	188	164.7 Å²	164.7	88%	0.879	83%	0.827	S	S	*	*			trans	-133.3	132.2	155.9	-70.8	-163.6	151.6	0	0	109.5
256	E	31	Very low	28.7	Very low	199 Å²	199	166 Å²	166	93%	0.93	83%	0.829	S	S	*	*			trans	-85.2	119.6	177.9	-60.6	177.7	130.4	0	0	109.3
257	E	27.9	Very low	28.3	Very low	143 Å²	143	165 Å²	165	67%	0.668	83%	0.831	S	S	*	*			trans	-108.4	114.4	169.5	-75.6	-163.9	143.3	0	0	111.9	Y259	E257-Y259 HydrophobicContact CB-CD2 4.09Å; E257-Y259 HydrophobicContact CB-CE2 3.48Å; E257-Y259 VanDerWaalsContact CB-CE2 3.48Å; E257-Y259 HydrophobicContact CG-CE2 4.49Å; E257-Y259 WeakPolarHBondContact O-CD2 3.47Å; E257-Y259 WeakPolarHBondContact OE2-CE2 3.47Å; E257-Y259 PolarHBondContact OE2-OH 2.81Å
258	E	28.4	Very low	28.6	Very low	198 Å²	198	166.7 Å²	166.7	93%	0.925	83%	0.833	S	S	*	*			trans	-78.3	112.5	173.6	-179.5	172.9	-138.2	0	0	109.7
259	Y	27.3	Very low	28.4	Very low	174 Å²	174	164.6 Å²	164.6	68%	0.682	84%	0.835	S	S	*	*			trans	-100.3	101.2	-178.1	-82.9	-83.1	0	0	0	112.4	E257	E257-Y259 HydrophobicContact CB-CD2 4.09Å; E257-Y259 HydrophobicContact CB-CE2 3.48Å; E257-Y259 VanDerWaalsContact CB-CE2 3.48Å; E257-Y259 HydrophobicContact CG-CE2 4.49Å; E257-Y259 WeakPolarHBondContact O-CD2 3.47Å; E257-Y259 WeakPolarHBondContact OE2-CE2 3.47Å; E257-Y259 PolarHBondContact OE2-OH 2.81Å
260	E	25.6	Very low	28.5	Very low	183 Å²	183	162.7 Å²	162.7	86%	0.855	83%	0.831	S	S	*	*			trans	-64.7	136.1	172	-169.6	167.3	-145.7	0	0	111.5	E262	E260-E262 PolarHBondContact O-N 2.8Å
261	Y	28.2	Very low	28.4	Very low	224 Å²	224	165.3 Å²	165.3	88%	0.878	84%	0.835	S	S	*	*			trans	-93.4	89	-176.7	-91.9	-79.1	0	0	0	112.1
262	E	26.5	Very low	28.4	Very low	160 Å²	160	159.4 Å²	159.4	75%	0.748	83%	0.827	S	S	*	*			trans	-64.6	135.4	163.7	-84.9	-81.3	164.7	0	0	111.5	E260 V264	E260-E262 PolarHBondContact O-N 2.8Å; E262-V264 PolarHBondContact O-N 2.88Å
263	E	27.9	Very low	28.2	Very low	190 Å²	190	158.9 Å²	158.9	89%	0.888	83%	0.825	S	S	*	*			trans	-80.5	107.9	174.2	-76	-164.2	123.6	0	0	110.9
264	V	25.3	Very low	28.1	Very low	136 Å²	136	165.9 Å²	165.9	82%	0.824	83%	0.831	S	S	*	*			trans	-108.1	105.4	173.3	-174.2	0	0	0	0	111.1	E262	E262-V264 PolarHBondContact O-N 2.88Å
265	S	27.3	Very low	28	Very low	99 Å²	99	166.6 Å²	166.6	69%	0.692	83%	0.829	S	S	*	*			trans	-78.7	136.1	156.9	55.9	0	0	0	0	110.1
266	D	26.3	Very low	27.9	Very low	156 Å²	156	165.8 Å²	165.8	83%	0.834	82%	0.822	S	S	*	*				-167.2	172.8	114.2	-124.1	-32.7	0	0	0	116.6
267	A	27.5	Very low	27.6	Very low	85 Å²	85	166.4 Å²	166.4	70%	0.702	82%	0.822	S	S	*	*			trans	-25.5	151.7	174.8	0	0	0	0	0	121.3
268	E	31.9	Very low	27.5	Very low	196 Å²	196	166.7 Å²	166.7	92%	0.916	82%	0.823	S	S	*	*			trans	-71.8	147	164.9	-60.2	-177.7	152.2	0	0	112.3
269	S	26.2	Very low	27.4	Very low	121 Å²	121	162.1 Å²	162.1	85%	0.846	81%	0.811	S	S	*	*			trans	-144	132.5	151.7	63.4	0	0	0	0	110.1
270	D	28.3	Very low	27.3	Very low	150 Å²	150	159.9 Å²	159.9	80%	0.802	82%	0.815	S	S	*	*			trans	-104.8	139.2	-171.5	176.3	31.6	0	0	0	111.6
271	F	26.6	Very low	27.6	Very low	207 Å²	207	159.6 Å²	159.6	91%	0.908	81%	0.811	S	S	*	*			trans	-162.7	116.9	169.7	-99.1	-68.8	0	0	0	113.3
272	G	27.8	Very low	27.6	Very low	75 Å²	75	157.1 Å²	157.1	77%	0.773	81%	0.807	S	S	*	*			trans	96.2	96	143.8	0	0	0	0	0	117
273	E	28.9	Very low	27.9	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	81%	0.81	S	S	*	*			trans	-68.8	156.9	179.2	-61.4	175.7	107.5	0	0	114.7
274	R	27.6	Very low	28.2	Very low	244 Å²	244	153 Å²	153	92%	0.921	80%	0.797	S	S	*	*			trans	-134.8	112.4	152.9	-116.3	-176.8	178.7	176.9	1.5	109	K276	R274-K276 PolarHBondContact O-N 2.72Å
275	E	30.1	Very low	28.8	Very low	183 Å²	183	157.8 Å²	157.8	86%	0.855	80%	0.8	S	S	*	*			trans	-54.5	125.1	-170.7	-63.6	176.8	119.3	0	0	113
276	K	28.6	Very low	29.7	Very low	171 Å²	171	157.4 Å²	157.4	74%	0.743	80%	0.797	S	S	*	*			trans	-132.4	133.4	156.8	-72.4	-179.8	-180	172.6	0	106.7	R274 H278	R274-K276 PolarHBondContact O-N 2.72Å; K276-H278 VanDerWaalsContact C-N 3.3Å; K276-H278 PolarHBondContact O-N 3.1Å
277	F	25.8	Very low	30.7	Very low	212 Å²	212	152.6 Å²	152.6	93%	0.93	78%	0.776	S	S	*	*			trans	-65.8	87.1	178	-74.3	-88.3	0	0	0	111.2
278	H	26	Very low	32	Very low	148 Å²	148	156 Å²	156	69%	0.685	78%	0.782	S	S	*	*			trans	-83.6	135.4	159.8	-76.4	-94.8	0	0	0	108.6	K276 V280	K276-H278 VanDerWaalsContact C-N 3.3Å; K276-H278 PolarHBondContact O-N 3.1Å; H278-V280 PolarHBondContact O-N 3.16Å; H278-V280 VanDerWaalsContact O-N 3.09Å
279	P	26.4	Very low	33.5	Very low	103 Å²	103	148.2 Å²	148.2	67%	0.669	75%	0.754	S	S	*	*			trans	-65.6	112	168.2	27.6	-32.1	0	0	0	108.4	F281	P279-F281 HydrophobicContact CB-CD2 4.15Å; P279-F281 HydrophobicContact CB-CE2 4.06Å; P279-F281 HydrophobicContact CG-CD2 4.44Å; P279-F281 HydrophobicContact CG-CE2 4.45Å; P279-F281 PolarHBondContact O-N 3.28Å
280	V	25.2	Very low	35.9	Very low	127 Å²	127	151.6 Å²	151.6	77%	0.77	75%	0.754	S	S	*	*			trans	-74.5	77.5	-178.8	-174.6	0	0	0	0	109.7	H278 H282	H278-V280 PolarHBondContact O-N 3.16Å; H278-V280 VanDerWaalsContact O-N 3.09Å; V280-H282 PolarHBondContact O-N 3.12Å
281	F	31	Very low	38.3	Very low	176 Å²	176	148.5 Å²	148.5	77%	0.772	74%	0.742	S	S	*	*			trans	-72	113	157.6	-75.5	-84.3	0	0	0	107.6	P279 Q283	P279-F281 HydrophobicContact CB-CD2 4.15Å; P279-F281 HydrophobicContact CB-CE2 4.06Å; P279-F281 HydrophobicContact CG-CD2 4.44Å; P279-F281 HydrophobicContact CG-CE2 4.45Å; P279-F281 PolarHBondContact O-N 3.28Å; F281-Q283 PolarHBondContact O-N 3.33Å
282	H	28.6	Very low	41.1	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.796	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-52.3	117.3	170.7	-72.6	-72.7	0	0	0	109.3	V280 P284	V280-H282 PolarHBondContact O-N 3.12Å; H282-P284 VanDerWaalsContact O-CD 3.26Å; H282-P284 WeakPolarHBondContact O-CD 3.19Å
283	Q	32.5	Very low	43.8	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.4	120.1	162.5	-70.4	-173.8	-0.7	0	0	107.1	F281 R285	F281-Q283 PolarHBondContact O-N 3.33Å; Q283-R285 PolarHBondContact O-N 2.93Å; Q283-R285 VanDerWaalsContact O-N 3.15Å
284	P	34	Very low	46.4	Very low	95 Å²	95	132.5 Å²	132.5	62%	0.617	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-60.5	123.6	165.5	26.4	-31.7	0	0	0	106.7	H282 S286	H282-P284 VanDerWaalsContact O-CD 3.26Å; H282-P284 WeakPolarHBondContact O-CD 3.19Å; P284-S286 PolarHBondContact O-N 3.49Å
285	R	37.5	Very low	49.1	Very low	236 Å²	236	121.4 Å²	121.4	89%	0.891	62%	0.618	S	S	*	*			trans	-44.3	137.1	174.4	-78.9	177.6	165.8	161.8	-5.1	109.1	Q283 S287	Q283-R285 PolarHBondContact O-N 2.93Å; Q283-R285 VanDerWaalsContact O-N 3.15Å; R285-S287 PolarHBondContact O-N 3.19Å
286	S	46	Very low	51.8	Low	90 Å²	90	116.1 Å²	116.1	63%	0.629	60%	0.596	S	S	*	*			trans	-49.5	99.9	179	179.7	0	0	0	0	110.6	P284 N288	P284-S286 PolarHBondContact O-N 3.49Å; S286-N288 PolarHBondContact O-N 3.46Å
287	S	48.8	Very low	54.5	Low	56 Å²	56	111.6 Å²	111.6	39%	0.392	58%	0.576	S	S	.	*			trans	-73.3	115.7	176.3	52.9	0	0	0	0	107	R285 G289 F297	R285-S287 PolarHBondContact O-N 3.19Å; S287-G289 PolarHBondContact O-N 2.53Å; S287-F297 VanDerWaalsContact OG-CE1 3.31Å; S287-F297 WeakPolarHBondContact OG-CE1 3.32Å
288	N	53.3	Low	57.3	Low	155 Å²	155	103.6 Å²	103.6	83%	0.829	54%	0.543	S	S	*	.			trans	-71.5	57.9	177.7	-68.9	-11.4	0	0	0	111.3	S286	S286-N288 PolarHBondContact O-N 3.46Å
289	G	63.4	Low	60.2	Low	33 Å²	33	96.9 Å²	96.9	34%	0.34	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-67.8	141.1	169.4	0	0	0	0	0	109.7	S287	S287-G289 PolarHBondContact O-N 2.53Å
290	K	77.5	Confident	63.2	Low	192 Å²	192	92.5 Å²	92.5	84%	0.835	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-65.3	140.7	175.4	-64.4	-178.8	179.4	-179.6	0	109.4
291	P	79.1	Confident	66.3	Low	86 Å²	86	90.2 Å²	90.2	56%	0.558	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-63.3	143.1	175.4	27.4	-34.6	0	0	0	110.6	I295	P291-I295 CarbonylContact C-O 3.5Å; P291-I295 WeakPolarHBondContact CA-O 3.29Å; P291-I295 VanDerWaalsContact CB-O 3.26Å; P291-I295 WeakPolarHBondContact CB-O 3.41Å
292	H	84.3	Confident	69	Low	52 Å²	52	82.1 Å²	82.1	24%	0.241	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-101.7	120.1	179.9	-179	73.3	0	0	0	109.3	G294 I295 I300 I885	H292-G294 PolarHBondContact O-N 2.97Å; H292-I295 PolarHBondContact N-O 2.92Å; H292-I295 WeakPolarHBondContact O-CB 3.1Å; H292-I295 PolarHBondContact O-N 2.84Å; H292-I300 HydrophobicContact CB-CD1 3.99Å; H292-I300 HydrophobicContact CB-CG1 3.97Å; H292-I885 PolarHBondContact NE2-O 3.46Å
293	N	85.7	Confident	72	Confident	53 Å²	53	74 Å²	74	28%	0.283	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	30.4	-175.1	-58.9	-23.9	0	0	0	113.9	L821 S883	N293-L821 PolarHBondContact O-N 3.13Å; N293-S883 WeakPolarHBondContact CB-O 3.24Å; N293-S883 PolarHBondContact ND2-O 2.97Å
294	G	82.3	Confident	74.9	Confident	29 Å²	29	66.6 Å²	66.6	30%	0.299	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-8.9	-176.2	0	0	0	0	0	115.8	H292 T822	H292-G294 PolarHBondContact O-N 2.97Å; G294-T822 WeakPolarHBondContact CA-OG1 3.23Å; G294-T822 PolarHBondContact N-OG1 3.04Å
295	I	85.8	Confident	77.7	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.051	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-86.4	135.2	179.7	-51.3	175.2	0	0	0	109.9	P291 H292 T299 I300 I732 L821 F884	P291-I295 CarbonylContact C-O 3.5Å; P291-I295 WeakPolarHBondContact CA-O 3.29Å; P291-I295 VanDerWaalsContact CB-O 3.26Å; P291-I295 WeakPolarHBondContact CB-O 3.41Å; H292-I295 PolarHBondContact N-O 2.92Å; H292-I295 WeakPolarHBondContact O-CB 3.1Å; H292-I295 PolarHBondContact O-N 2.84Å; I295-T299 HydrophobicContact CG2-CG2 3.85Å; I295-I300 HydrophobicContact CB-CD1 3.89Å; I295-I300 HydrophobicContact CB-CG1 4Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.91Å; I295-I300 HydrophobicContact CG2-CG1 3.85Å; I295-I732 HydrophobicContact CD1-CD1 4.41Å; I295-I732 HydrophobicContact CG2-CD1 4.13Å; I295-L821 HydrophobicContact CD1-CD1 4.23Å; I295-L821 HydrophobicContact CG1-CD1 4.1Å; I295-F884 HydrophobicContact CD1-CD1 4.45Å
296	D	85.7	Confident	80.4	Confident	73 Å²	73	54.9 Å²	54.9	39%	0.39	31%	0.305	S	S	.	.			trans	-58.3	143.3	176.2	162.1	64.7	0	0	0	113	N298 T299 I300	D296-N298 PolarHBondContact O-N 3.31Å; D296-N298 PolarHBondContact OD1-ND2 3.05Å; D296-N298 VanDerWaalsContact OD2-CB 3.28Å; D296-N298 WeakPolarHBondContact OD2-CB 3.18Å; D296-N298 PolarHBondContact OD2-N 3.2Å; D296-N298 PolarHBondContact OD2-ND2 3.35Å; D296-T299 WeakPolarHBondContact O-CB 3.42Å; D296-T299 PolarHBondContact O-N 3.31Å; D296-T299 VanDerWaalsContact O-N 3.08Å; D296-T299 PolarHBondContact OD2-N 3.1Å; D296-T299 PolarHBondContact OD2-OG1 3.39Å; D296-I300 PolarHBondContact O-N 3.09Å
297	F	85.6	Confident	82.7	Confident	75 Å²	75	50.6 Å²	50.6	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-38	-176.1	-179.5	-99.1	0	0	0	113.8	S287 T299 I300 R301	S287-F297 VanDerWaalsContact OG-CE1 3.31Å; S287-F297 WeakPolarHBondContact OG-CE1 3.32Å; F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.36Å; F297-I300 PolarHBondContact O-N 3.24Å; F297-R301 PolarHBondContact O-N 2.62Å
298	N	84.8	Confident	84.9	Confident	45 Å²	45	53.4 Å²	53.4	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-34.2	178.1	-53.2	-84.7	0	0	0	111.3	D296 R301 T302	D296-N298 PolarHBondContact O-N 3.31Å; D296-N298 PolarHBondContact OD1-ND2 3.05Å; D296-N298 VanDerWaalsContact OD2-CB 3.28Å; D296-N298 WeakPolarHBondContact OD2-CB 3.18Å; D296-N298 PolarHBondContact OD2-N 3.2Å; D296-N298 PolarHBondContact OD2-ND2 3.35Å; N298-R301 PolarHBondContact O-N 2.72Å; N298-T302 PolarHBondContact O-N 2.78Å; N298-T302 PolarHBondContact O-OG1 3.21Å
299	T	86.8	Confident	86.8	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-41.7	176.2	-53.4	0	0	0	0	110.9	I295 D296 F297 R301 T302 I303 I732 R746	I295-T299 HydrophobicContact CG2-CG2 3.85Å; D296-T299 WeakPolarHBondContact O-CB 3.42Å; D296-T299 PolarHBondContact O-N 3.31Å; D296-T299 VanDerWaalsContact O-N 3.08Å; D296-T299 PolarHBondContact OD2-N 3.1Å; D296-T299 PolarHBondContact OD2-OG1 3.39Å; F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.36Å; T299-R301 PolarHBondContact O-N 2.85Å; T299-T302 WeakPolarHBondContact O-CB 3.48Å; T299-T302 PolarHBondContact O-N 2.87Å; T299-I303 WeakPolarHBondContact O-CG1 3.3Å; T299-I303 PolarHBondContact O-N 2.91Å; T299-I303 VanDerWaalsContact O-N 3.07Å; T299-I732 HydrophobicContact CG2-CB 4.2Å; T299-I732 HydrophobicContact CG2-CD1 3.87Å; T299-I732 HydrophobicContact CG2-CG2 3.63Å; T299-R746 VanDerWaalsContact CG2-NH1 3.34Å; T299-R746 PolarHBondContact OG1-NH1 2.99Å; T299-R746 PolarHBondContact OG1-NH2 2.96Å
300	I	89.8	Confident	88.4	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-42.8	169.8	-69.8	-70.9	0	0	0	111.8	H292 I295 D296 F297 T302 I303 L304 T886	H292-I300 HydrophobicContact CB-CD1 3.99Å; H292-I300 HydrophobicContact CB-CG1 3.97Å; I295-I300 HydrophobicContact CB-CD1 3.89Å; I295-I300 HydrophobicContact CB-CG1 4Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.91Å; I295-I300 HydrophobicContact CG2-CG1 3.85Å; D296-I300 PolarHBondContact O-N 3.09Å; F297-I300 PolarHBondContact O-N 3.24Å; I300-T302 VanDerWaalsContact C-N 3.32Å; I300-T302 PolarHBondContact O-N 3.16Å; I300-I303 HydrophobicContact CD1-CD1 4.28Å; I300-I303 WeakPolarHBondContact O-CB 3.43Å; I300-I303 PolarHBondContact O-N 3.18Å; I300-L304 HydrophobicContact CG2-CD1 4.3Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 2.99Å; I300-L304 VanDerWaalsContact O-N 3.08Å; I300-T886 HydrophobicContact CD1-CG2 4.16Å; I300-T886 HydrophobicContact CG2-CG2 3.85Å
301	R	89.6	Confident	89.2	Confident	79 Å²	79	41 Å²	41	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-43.7	174.3	-166.7	-176.9	67.2	-140.7	-7.3	111.3	F297 N298 T299 I303 L304 D305	F297-R301 PolarHBondContact O-N 2.62Å; N298-R301 PolarHBondContact O-N 2.72Å; T299-R301 PolarHBondContact O-N 2.85Å; R301-I303 VanDerWaalsContact C-N 3.29Å; R301-I303 PolarHBondContact O-N 3.08Å; R301-L304 WeakPolarHBondContact O-CA 3.44Å; R301-L304 WeakPolarHBondContact O-CB 3.34Å; R301-L304 PolarHBondContact O-N 3.41Å; R301-D305 IonicContact NE-OD2 2.71Å; R301-D305 PolarHBondContact O-N 3.21Å
302	T	88.9	Confident	89.9	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-38.3	178	-44.1	0	0	0	0	112.5	N298 T299 I300 S306 H717 L735	N298-T302 PolarHBondContact O-N 2.78Å; N298-T302 PolarHBondContact O-OG1 3.21Å; T299-T302 WeakPolarHBondContact O-CB 3.48Å; T299-T302 PolarHBondContact O-N 2.87Å; I300-T302 VanDerWaalsContact C-N 3.32Å; I300-T302 PolarHBondContact O-N 3.16Å; T302-S306 WeakPolarHBondContact O-CB 3.49Å; T302-S306 PolarHBondContact O-N 3.06Å; T302-H717 HydrophobicContact CG2-CB 4.5Å; T302-H717 WeakPolarHBondContact CG2-CD2 3.14Å; T302-L735 HydrophobicContact CG2-CD2 3.56Å; T302-L735 HydrophobicContact CG2-CG 4.02Å; T302-L735 WeakPolarHBondContact OG1-CD1 3.42Å; T302-L735 WeakPolarHBondContact OG1-CD2 3.42Å; T302-L735 VanDerWaalsContact OG1-CG 3.27Å; T302-L735 WeakPolarHBondContact OG1-CG 3.42Å
303	I	91.7	Very high	90.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-43.3	174.2	-68.3	156.4	0	0	0	110.8	T299 I300 R301 A307 L716 I732 F884 L889	T299-I303 WeakPolarHBondContact O-CG1 3.3Å; T299-I303 PolarHBondContact O-N 2.91Å; T299-I303 VanDerWaalsContact O-N 3.07Å; I300-I303 HydrophobicContact CD1-CD1 4.28Å; I300-I303 WeakPolarHBondContact O-CB 3.43Å; I300-I303 PolarHBondContact O-N 3.18Å; R301-I303 VanDerWaalsContact C-N 3.29Å; R301-I303 PolarHBondContact O-N 3.08Å; I303-A307 VanDerWaalsContact O-CB 3.31Å; I303-A307 WeakPolarHBondContact O-CB 3.28Å; I303-A307 PolarHBondContact O-N 3.3Å; I303-L716 WeakPolarHBondContact CG1-O 3.49Å; I303-L716 HydrophobicContact CG2-CD2 4.48Å; I303-I732 HydrophobicContact CD1-CD1 4.47Å; I303-I732 HydrophobicContact CD1-CG2 4.5Å; I303-F884 HydrophobicContact CD1-CD1 3.79Å; I303-F884 HydrophobicContact CD1-CE1 4.01Å; I303-L889 HydrophobicContact CG2-CD1 4.42Å
304	L	93.3	Very high	90.9	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-47.9	176.1	-65.1	170.9	0	0	0	111.9	I300 R301 S306 A307 E308 T886 Q888 L889	I300-L304 HydrophobicContact CG2-CD1 4.3Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 2.99Å; I300-L304 VanDerWaalsContact O-N 3.08Å; R301-L304 WeakPolarHBondContact O-CA 3.44Å; R301-L304 WeakPolarHBondContact O-CB 3.34Å; R301-L304 PolarHBondContact O-N 3.41Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.25Å; L304-A307 PolarHBondContact O-N 2.85Å; L304-E308 PolarHBondContact O-N 3.27Å; L304-T886 HydrophobicContact CD2-CG2 4.32Å; L304-T886 WeakPolarHBondContact CD2-OG1 3.35Å; L304-Q888 HydrophobicContact CD2-CB 3.76Å; L304-Q888 HydrophobicContact CD2-CG 4.46Å; L304-L889 HydrophobicContact CD2-CG 4.11Å
305	D	92.5	Very high	91.5	Very high	80 Å²	80	43.7 Å²	43.7	43%	0.428	21%	0.206	S	C	.	.	H	α-helix	trans	-57.2	-44.5	179.2	-58.2	-28	0	0	0	110.5	R301 M309	R301-D305 IonicContact NE-OD2 2.71Å; R301-D305 PolarHBondContact O-N 3.21Å; D305-M309 WeakPolarHBondContact O-CB 3.15Å; D305-M309 PolarHBondContact O-N 2.77Å; D305-M309 VanDerWaalsContact O-N 3.07Å
306	S	93	Very high	91.9	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-73.2	-34.2	178.8	-159.9	0	0	0	0	112.7	T302 L304 M309 T310 D668 D714	T302-S306 WeakPolarHBondContact O-CB 3.49Å; T302-S306 PolarHBondContact O-N 3.06Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.25Å; S306-M309 PolarHBondContact O-N 3.08Å; S306-T310 VanDerWaalsContact O-CB 3.27Å; S306-T310 WeakPolarHBondContact O-CB 3.43Å; S306-T310 PolarHBondContact O-N 3.19Å; S306-T310 PolarHBondContact O-OG1 3.22Å; S306-D668 PolarHBondContact OG-OD2 2.96Å; S306-D714 CarbonylContact C-O 3.55Å; S306-D714 PolarHBondContact OG-O 3.31Å; S306-D714 VanDerWaalsContact OG-O 3.13Å
307	A	94.5	Very high	92.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-41.7	173.1	0	0	0	0	0	113.1	I303 L304 T310 K311 W715 L889 M892	I303-A307 VanDerWaalsContact O-CB 3.31Å; I303-A307 WeakPolarHBondContact O-CB 3.28Å; I303-A307 PolarHBondContact O-N 3.3Å; L304-A307 PolarHBondContact O-N 2.85Å; A307-T310 PolarHBondContact O-N 3.2Å; A307-K311 WeakPolarHBondContact O-CB 3.42Å; A307-K311 PolarHBondContact O-N 2.76Å; A307-W715 HydrophobicContact CB-CE3 4.13Å; A307-W715 WeakPolarHBondContact O-CZ3 3.36Å; A307-L889 HydrophobicContact CB-CD2 3.68Å; A307-M892 HydrophobicContact CB-CE 4.37Å
308	E	95.1	Very high	92.8	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-41.7	174.9	-74	-175.4	-167	0	0	111.7	L304 K312 M892	L304-E308 PolarHBondContact O-N 3.27Å; E308-K312 WeakPolarHBondContact O-CB 3.35Å; E308-K312 PolarHBondContact O-N 3.02Å; E308-M892 HydrophobicContact CG-CE 3.75Å
309	M	94.6	Very high	93.2	Very high	68 Å²	68	44.4 Å²	44.4	34%	0.335	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-40.1	172.9	-175.8	-157.9	59.6	0	0	111.9	D305 S306 K312 F313 L667 D668	D305-M309 WeakPolarHBondContact O-CB 3.15Å; D305-M309 PolarHBondContact O-N 2.77Å; D305-M309 VanDerWaalsContact O-N 3.07Å; S306-M309 PolarHBondContact O-N 3.08Å; M309-K312 PolarHBondContact O-N 2.83Å; M309-F313 WeakPolarHBondContact O-CB 3.32Å; M309-F313 PolarHBondContact O-N 3.2Å; M309-L667 HydrophobicContact CE-CB 3.99Å; M309-L667 HydrophobicContact CE-CD2 3.67Å; M309-L667 HydrophobicContact CE-CG 3.56Å; M309-L667 HydrophobicContact SD-CG 4.29Å; M309-D668 HydrophobicContact CE-CB 3.61Å; M309-D668 HydrophobicContact SD-CB 4.09Å
310	T	95.2	Very high	93.4	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-48.4	177.2	-65.2	0	0	0	0	111.4	S306 A307 K312 F313 R314 D714 W715	S306-T310 VanDerWaalsContact O-CB 3.27Å; S306-T310 WeakPolarHBondContact O-CB 3.43Å; S306-T310 PolarHBondContact O-N 3.19Å; S306-T310 PolarHBondContact O-OG1 3.22Å; A307-T310 PolarHBondContact O-N 3.2Å; T310-K312 PolarHBondContact O-N 3.24Å; T310-F313 PolarHBondContact O-N 3.24Å; T310-R314 WeakPolarHBondContact O-CG 3.32Å; T310-R314 PolarHBondContact O-N 3.06Å; T310-D714 HydrophobicContact CG2-CB 4.08Å; T310-D714 VanDerWaalsContact OG1-C 3.25Å; T310-D714 WeakPolarHBondContact OG1-CB 3.31Å; T310-D714 PolarHBondContact OG1-O 2.77Å; T310-D714 VanDerWaalsContact OG1-O 3.08Å; T310-W715 HydrophobicContact CG2-CD2 3.71Å; T310-W715 HydrophobicContact CG2-CE3 3.81Å; T310-W715 HydrophobicContact CG2-CG 4.3Å; T310-W715 HydrophobicContact CG2-CH2 4.12Å; T310-W715 HydrophobicContact CG2-CZ2 4.04Å; T310-W715 HydrophobicContact CG2-CZ3 4.01Å
311	K	94.3	Very high	93.5	Very high	48 Å²	48	53.2 Å²	53.2	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-51.4	-55	171	160.5	-177.5	156.1	52.9	0	110.8	A307 F313 R314 E315 W715 M892 H896	A307-K311 WeakPolarHBondContact O-CB 3.42Å; A307-K311 PolarHBondContact O-N 2.76Å; K311-F313 VanDerWaalsContact C-N 3.32Å; K311-F313 PolarHBondContact O-N 3.28Å; K311-R314 WeakPolarHBondContact O-CB 3.13Å; K311-R314 PolarHBondContact O-N 3Å; K311-R314 VanDerWaalsContact O-N 3.11Å; K311-E315 WeakPolarHBondContact CE-OE2 3.32Å; K311-E315 WeakPolarHBondContact CG-OE2 3.49Å; K311-E315 IonicContact NZ-OE1 2.84Å; K311-E315 PolarHBondContact NZ-OE1 2.96Å; K311-E315 IonicContact NZ-OE2 3.93Å; K311-E315 PolarHBondContact NZ-OE2 2.85Å; K311-E315 WeakPolarHBondContact O-CG 3.39Å; K311-E315 PolarHBondContact O-N 3.34Å; K311-W715 HydrophobicContact CB-CH2 4.19Å; K311-W715 HydrophobicContact CB-CZ3 4.06Å; K311-M892 HydrophobicContact CB-SD 4.49Å; K311-M892 HydrophobicContact CD-CG 4.37Å; K311-M892 HydrophobicContact CD-SD 4.06Å; K311-H896 PolarHBondContact NZ-NE2 2.81Å
312	K	95.4	Very high	93.8	Very high	116 Å²	116	49.9 Å²	49.9	50%	0.504	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-43.5	-178.3	179.5	179.3	173.2	-179	0	111.7	E308 M309 T310 R314 E315 E316	E308-K312 WeakPolarHBondContact O-CB 3.35Å; E308-K312 PolarHBondContact O-N 3.02Å; M309-K312 PolarHBondContact O-N 2.83Å; T310-K312 PolarHBondContact O-N 3.24Å; K312-R314 VanDerWaalsContact C-N 3.32Å; K312-R314 PolarHBondContact O-N 2.84Å; K312-E315 PolarHBondContact O-N 3.06Å; K312-E316 VanDerWaalsContact CE-CD 3.45Å; K312-E316 WeakPolarHBondContact CE-OE1 3.49Å; K312-E316 HydrophobicContact CG-CG 4.45Å; K312-E316 IonicContact NZ-OE1 3.76Å; K312-E316 WeakPolarHBondContact O-CB 3.42Å; K312-E316 WeakPolarHBondContact O-CG 3.45Å; K312-E316 PolarHBondContact O-N 2.93Å
313	F	95.8	Very high	94.1	Very high	23 Å²	23	50.3 Å²	50.3	10%	0.101	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-41.8	176.9	174.2	-99.2	0	0	0	111.8	M309 T310 K311 E316 N317 Y318 Q567 P625 L667	M309-F313 WeakPolarHBondContact O-CB 3.32Å; M309-F313 PolarHBondContact O-N 3.2Å; T310-F313 PolarHBondContact O-N 3.24Å; K311-F313 VanDerWaalsContact C-N 3.32Å; K311-F313 PolarHBondContact O-N 3.28Å; F313-E316 PolarHBondContact O-N 2.92Å; F313-N317 HydrophobicContact CD2-CB 4.13Å; F313-N317 WeakPolarHBondContact CD2-ND2 3.21Å; F313-N317 HydrophobicContact CE1-CB 4.3Å; F313-N317 HydrophobicContact CE2-CB 3.76Å; F313-N317 VanDerWaalsContact CE2-CG 3.5Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.43Å; F313-N317 HydrophobicContact CZ-CB 3.86Å; F313-N317 WeakPolarHBondContact O-CA 3.37Å; F313-N317 WeakPolarHBondContact O-CB 3.39Å; F313-N317 PolarHBondContact O-N 2.89Å; F313-N317 PolarHBondContact O-ND2 2.91Å; F313-Y318 HydrophobicContact CE1-CE1 4.03Å; F313-Q567 HydrophobicContact CZ-CG 4.38Å; F313-P625 WeakPolarHBondContact CE2-O 3.48Å; F313-P625 HydrophobicContact CZ-CB 4.12Å; F313-P625 WeakPolarHBondContact CZ-O 3.43Å; F313-L667 HydrophobicContact CB-CD1 4.18Å; F313-L667 HydrophobicContact CB-CD2 3.51Å; F313-L667 HydrophobicContact CB-CG 4.46Å; F313-L667 HydrophobicContact CD1-CD1 4.06Å; F313-L667 HydrophobicContact CD1-CD2 3.86Å; F313-L667 HydrophobicContact CD2-CD1 3.51Å; F313-L667 HydrophobicContact CD2-CD2 4.39Å; F313-L667 HydrophobicContact CE1-CD1 4.35Å; F313-L667 HydrophobicContact CE2-CD1 3.85Å; F313-L667 HydrophobicContact CG-CD1 3.63Å; F313-L667 HydrophobicContact CG-CD2 3.66Å; F313-L667 HydrophobicContact CG-CG 4.31Å; F313-L667 HydrophobicContact CZ-CD1 4.26Å
314	R	95.1	Very high	94.1	Very high	23 Å²	23	54.7 Å²	54.7	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-49.3	175.4	-67.9	-173.6	176.9	-157.1	-6.3	111.8	T310 K311 K312 E316 N317 Y318 D404 P859	T310-R314 WeakPolarHBondContact O-CG 3.32Å; T310-R314 PolarHBondContact O-N 3.06Å; K311-R314 WeakPolarHBondContact O-CB 3.13Å; K311-R314 PolarHBondContact O-N 3Å; K311-R314 VanDerWaalsContact O-N 3.11Å; K312-R314 VanDerWaalsContact C-N 3.32Å; K312-R314 PolarHBondContact O-N 2.84Å; R314-E316 VanDerWaalsContact C-N 3.25Å; R314-E316 PolarHBondContact O-N 3.38Å; R314-N317 PolarHBondContact O-N 3.34Å; R314-Y318 HydrophobicContact CB-CD2 3.93Å; R314-Y318 HydrophobicContact CB-CE2 4.27Å; R314-Y318 HydrophobicContact CB-CG 4.19Å; R314-Y318 HydrophobicContact CG-CD2 3.73Å; R314-Y318 HydrophobicContact CG-CE1 4.34Å; R314-Y318 HydrophobicContact CG-CE2 3.54Å; R314-Y318 HydrophobicContact CG-CG 4.24Å; R314-Y318 WeakPolarHBondContact O-CB 3.37Å; R314-Y318 PolarHBondContact O-N 2.64Å; R314-D404 WeakPolarHBondContact CD-OD2 3.38Å; R314-D404 IonicContact CZ-OD1 2.75Å; R314-D404 IonicContact NH1-OD1 2.86Å; R314-D404 PolarHBondContact NH1-OD1 3.02Å; R314-D404 IonicContact NH1-OD2 3.31Å; R314-P859 VanDerWaalsContact CZ-O 3.3Å; R314-P859 PolarHBondContact NH1-O 3.25Å; R314-P859 PolarHBondContact NH2-O 3.05Å
315	E	93.8	Very high	94	Very high	114 Å²	114	59.6 Å²	59.6	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-56.2	-39.8	176.6	-68.8	175.3	126	0	0	112.3	K311 K312	K311-E315 WeakPolarHBondContact CE-OE2 3.32Å; K311-E315 WeakPolarHBondContact CG-OE2 3.49Å; K311-E315 IonicContact NZ-OE1 2.84Å; K311-E315 PolarHBondContact NZ-OE1 2.96Å; K311-E315 IonicContact NZ-OE2 3.93Å; K311-E315 PolarHBondContact NZ-OE2 2.85Å; K311-E315 WeakPolarHBondContact O-CG 3.39Å; K311-E315 PolarHBondContact O-N 3.34Å; K312-E315 PolarHBondContact O-N 3.06Å
316	E	95	Very high	94.2	Very high	104 Å²	104	56.5 Å²	56.5	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-80.1	-34.5	179	-72.4	179.6	169.2	0	0	113.8	K312 F313 R314 K568	K312-E316 VanDerWaalsContact CE-CD 3.45Å; K312-E316 WeakPolarHBondContact CE-OE1 3.49Å; K312-E316 HydrophobicContact CG-CG 4.45Å; K312-E316 IonicContact NZ-OE1 3.76Å; K312-E316 WeakPolarHBondContact O-CB 3.42Å; K312-E316 WeakPolarHBondContact O-CG 3.45Å; K312-E316 PolarHBondContact O-N 2.93Å; F313-E316 PolarHBondContact O-N 2.92Å; R314-E316 VanDerWaalsContact C-N 3.25Å; R314-E316 PolarHBondContact O-N 3.38Å; E316-K568 WeakPolarHBondContact O-CE 3.25Å; E316-K568 PolarHBondContact O-NZ 3.15Å
317	N	95.4	Very high	94.2	Very high	31 Å²	31	57.2 Å²	57.2	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-120.7	-11.8	-163.6	-64	-91.5	0	0	0	115.8	F313 R314 K568	F313-N317 HydrophobicContact CD2-CB 4.13Å; F313-N317 WeakPolarHBondContact CD2-ND2 3.21Å; F313-N317 HydrophobicContact CE1-CB 4.3Å; F313-N317 HydrophobicContact CE2-CB 3.76Å; F313-N317 VanDerWaalsContact CE2-CG 3.5Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.43Å; F313-N317 HydrophobicContact CZ-CB 3.86Å; F313-N317 WeakPolarHBondContact O-CA 3.37Å; F313-N317 WeakPolarHBondContact O-CB 3.39Å; F313-N317 PolarHBondContact O-N 2.89Å; F313-N317 PolarHBondContact O-ND2 2.91Å; R314-N317 PolarHBondContact O-N 3.34Å; N317-K568 VanDerWaalsContact O-CB 3.23Å; N317-K568 WeakPolarHBondContact O-CB 3.1Å; N317-K568 WeakPolarHBondContact O-CG 3.25Å; N317-K568 PolarHBondContact O-N 2.91Å
318	Y	95.1	Very high	94.3	Very high	62 Å²	62	57.3 Å²	57.3	24%	0.243	29%	0.285	C	S	.	.			trans	-88.4	144.8	175.9	-76	8.3	0	0	0	111.4	F313 R314 A475 H570	F313-Y318 HydrophobicContact CE1-CE1 4.03Å; R314-Y318 HydrophobicContact CB-CD2 3.93Å; R314-Y318 HydrophobicContact CB-CE2 4.27Å; R314-Y318 HydrophobicContact CB-CG 4.19Å; R314-Y318 HydrophobicContact CG-CD2 3.73Å; R314-Y318 HydrophobicContact CG-CE1 4.34Å; R314-Y318 HydrophobicContact CG-CE2 3.54Å; R314-Y318 HydrophobicContact CG-CG 4.24Å; R314-Y318 WeakPolarHBondContact O-CB 3.37Å; R314-Y318 PolarHBondContact O-N 2.64Å; Y318-A475 HydrophobicContact CD1-CB 4.3Å; Y318-A475 HydrophobicContact CD2-CB 3.58Å; Y318-A475 HydrophobicContact CE2-CB 4.29Å; Y318-A475 HydrophobicContact CG-CB 3.57Å; Y318-H570 AromaticContact CD1-CE1 3.96Å
319	S	93.1	Very high	94.2	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	26%	0.262	C	S	.	.			trans	-84.3	138	169.8	-71.5	0	0	0	0	111	V322 G476 K568 H570	S319-V322 VanDerWaalsContact CB-CG1 3.47Å; S319-G476 WeakPolarHBondContact O-CA 3.38Å; S319-G476 PolarHBondContact O-N 3.04Å; S319-K568 WeakPolarHBondContact OG-CB 3.27Å; S319-H570 PolarHBondContact N-NE2 2.73Å; S319-H570 VanDerWaalsContact N-NE2 3.15Å
320	S	89.6	Confident	94	Very high	116 Å²	116	50.1 Å²	50.1	81%	0.811	25%	0.253	S	S	*	.	S	Bend	trans	-69.6	-31.7	168.3	51.1	0	0	0	0	112.9
321	W	92.8	Very high	93.8	Very high	86 Å²	86	55.5 Å²	55.5	33%	0.326	28%	0.281	S	S	.	.			trans	-145.3	140.2	176.2	-174	-123.8	0	0	0	111	G476 E479 R492	W321-G476 VanDerWaalsContact CE3-O 3.25Å; W321-E479 HydrophobicContact CE3-CG 4.4Å; W321-E479 HydrophobicContact CH2-CG 3.69Å; W321-E479 HydrophobicContact CZ3-CG 3.36Å; W321-R492 VanDerWaalsContact CH2-CZ 3.42Å
322	V	94.9	Very high	93.7	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.055	29%	0.285	C	S	.	.			trans	-135	159	172.6	-67.1	0	0	0	0	111.9	S319 A475 G476 R492 L495	S319-V322 VanDerWaalsContact CB-CG1 3.47Å; V322-A475 WeakPolarHBondContact CG2-O 3.39Å; V322-G476 WeakPolarHBondContact CG2-O 3.36Å; V322-G476 PolarHBondContact N-O 3.31Å; V322-R492 PolarHBondContact O-NH1 3.4Å; V322-R492 PolarHBondContact O-NH2 3.24Å; V322-L495 HydrophobicContact CG2-CD1 4.33Å
323	F	95.5	Very high	93.6	Very high	16 Å²	16	50.9 Å²	50.9	7%	0.07	26%	0.264	C	S	.	.			trans	45.9	67.9	174.5	-50.5	-74.8	0	0	0	113.8	E325 W326 R492 L495 W564 L587 C588	F323-E325 PolarHBondContact O-N 3.43Å; F323-W326 HydrophobicContact CB-CB 3.83Å; F323-W326 HydrophobicContact CB-CD2 3.59Å; F323-W326 HydrophobicContact CB-CE3 3.65Å; F323-W326 HydrophobicContact CB-CG 3.68Å; F323-W326 HydrophobicContact CB-CZ3 4.45Å; F323-W326 HydrophobicContact CD1-CD2 4Å; F323-W326 AromaticContact CD1-CE3 3.89Å; F323-W326 HydrophobicContact CD1-CE3 3.89Å; F323-W326 AromaticContact CD1-CH2 3.96Å; F323-W326 HydrophobicContact CD1-CH2 3.96Å; F323-W326 HydrophobicContact CD1-CZ2 4.04Å; F323-W326 AromaticContact CD1-CZ3 3.87Å; F323-W326 HydrophobicContact CD1-CZ3 3.87Å; F323-W326 AromaticContact CD2-CE3 3.99Å; F323-W326 HydrophobicContact CD2-CE3 3.99Å; F323-W326 HydrophobicContact CD2-CZ3 4.1Å; F323-W326 HydrophobicContact CE1-CH2 4.05Å; F323-W326 HydrophobicContact CE1-CZ2 4.41Å; F323-W326 HydrophobicContact CE1-CZ3 4.13Å; F323-W326 HydrophobicContact CE2-CZ3 4.35Å; F323-W326 AromaticContact CG-CD2 3.86Å; F323-W326 HydrophobicContact CG-CD2 3.86Å; F323-W326 AromaticContact CG-CE3 3.56Å; F323-W326 HydrophobicContact CG-CE3 3.56Å; F323-W326 HydrophobicContact CG-CG 4.47Å; F323-W326 HydrophobicContact CG-CH2 4.42Å; F323-W326 AromaticContact CG-CZ3 3.87Å; F323-W326 HydrophobicContact CG-CZ3 3.87Å; F323-W326 HydrophobicContact CZ-CZ3 4.36Å; F323-W326 WeakPolarHBondContact O-CB 3.27Å; F323-W326 PolarHBondContact O-N 3.44Å; F323-R492 PolarHBondContact O-NH1 2.8Å; F323-L495 HydrophobicContact CB-CD1 4.27Å; F323-L495 HydrophobicContact CD2-CD1 3.43Å; F323-L495 VanDerWaalsContact CD2-CD1 3.43Å; F323-L495 HydrophobicContact CE2-CD1 4.17Å; F323-L495 HydrophobicContact CG-CD1 4.19Å; F323-W564 AromaticContact CE2-CZ2 3.99Å; F323-W564 HydrophobicContact CE2-CZ2 3.99Å; F323-W564 HydrophobicContact CZ-CZ2 4.4Å; F323-L587 HydrophobicContact CE1-CB 3.47Å; F323-L587 VanDerWaalsContact CE1-CB 3.47Å; F323-L587 HydrophobicContact CE1-CD1 4.34Å; F323-L587 HydrophobicContact CE2-CD1 4.43Å; F323-L587 HydrophobicContact CZ-CB 3.69Å; F323-L587 HydrophobicContact CZ-CD1 3.77Å; F323-L587 HydrophobicContact CZ-CG 4.38Å; F323-C588 VanDerWaalsContact CE1-SG 3.59Å
324	P	92.1	Very high	93.4	Very high	92 Å²	92	56 Å²	56	60%	0.597	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.8	-179.2	27.2	-36	0	0	0	113.6	W326	P324-W326 PolarHBondContact O-N 2.94Å
325	E	92.1	Very high	93.3	Very high	118 Å²	118	57.5 Å²	57.5	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.4	173	-63.2	175.3	-158.3	0	0	112.3	F323 K590	F323-E325 PolarHBondContact O-N 3.43Å; E325-K590 IonicContact OE1-NZ 3.59Å; E325-K590 PolarHBondContact OE1-NZ 3.03Å
326	W	94.9	Very high	93.3	Very high	14 Å²	14	52.5 Å²	52.5	5%	0.053	28%	0.278	C	S	.	.			trans	-108.7	56.3	-169.9	-60.8	2	0	0	0	111.8	F323 P324 R492 L495 I507 S509 V540 I541 L587	F323-W326 HydrophobicContact CB-CB 3.83Å; F323-W326 HydrophobicContact CB-CD2 3.59Å; F323-W326 HydrophobicContact CB-CE3 3.65Å; F323-W326 HydrophobicContact CB-CG 3.68Å; F323-W326 HydrophobicContact CB-CZ3 4.45Å; F323-W326 HydrophobicContact CD1-CD2 4Å; F323-W326 AromaticContact CD1-CE3 3.89Å; F323-W326 HydrophobicContact CD1-CE3 3.89Å; F323-W326 AromaticContact CD1-CH2 3.96Å; F323-W326 HydrophobicContact CD1-CH2 3.96Å; F323-W326 HydrophobicContact CD1-CZ2 4.04Å; F323-W326 AromaticContact CD1-CZ3 3.87Å; F323-W326 HydrophobicContact CD1-CZ3 3.87Å; F323-W326 AromaticContact CD2-CE3 3.99Å; F323-W326 HydrophobicContact CD2-CE3 3.99Å; F323-W326 HydrophobicContact CD2-CZ3 4.1Å; F323-W326 HydrophobicContact CE1-CH2 4.05Å; F323-W326 HydrophobicContact CE1-CZ2 4.41Å; F323-W326 HydrophobicContact CE1-CZ3 4.13Å; F323-W326 HydrophobicContact CE2-CZ3 4.35Å; F323-W326 AromaticContact CG-CD2 3.86Å; F323-W326 HydrophobicContact CG-CD2 3.86Å; F323-W326 AromaticContact CG-CE3 3.56Å; F323-W326 HydrophobicContact CG-CE3 3.56Å; F323-W326 HydrophobicContact CG-CG 4.47Å; F323-W326 HydrophobicContact CG-CH2 4.42Å; F323-W326 AromaticContact CG-CZ3 3.87Å; F323-W326 HydrophobicContact CG-CZ3 3.87Å; F323-W326 HydrophobicContact CZ-CZ3 4.36Å; F323-W326 WeakPolarHBondContact O-CB 3.27Å; F323-W326 PolarHBondContact O-N 3.44Å; P324-W326 PolarHBondContact O-N 2.94Å; W326-R492 VanDerWaalsContact O-CD 3.32Å; W326-R492 WeakPolarHBondContact O-CD 3.47Å; W326-R492 PolarHBondContact O-NH1 2.87Å; W326-L495 HydrophobicContact CB-CD2 4.3Å; W326-L495 HydrophobicContact CE3-CD1 3.93Å; W326-L495 HydrophobicContact CE3-CD2 4.06Å; W326-L495 HydrophobicContact CZ3-CD1 4.43Å; W326-I507 HydrophobicContact CH2-CD1 4.34Å; W326-I507 HydrophobicContact CZ3-CD1 4.33Å; W326-I507 HydrophobicContact CZ3-CG2 4.17Å; W326-S509 PolarHBondContact O-OG 3.22Å; W326-V540 HydrophobicContact CB-CG1 4.01Å; W326-V540 HydrophobicContact CD2-CG1 3.74Å; W326-V540 HydrophobicContact CE3-CG1 4.44Å; W326-V540 HydrophobicContact CG-CG1 3.5Å; W326-I541 HydrophobicContact CH2-CG2 3.69Å; W326-I541 HydrophobicContact CZ2-CB 4.45Å; W326-I541 HydrophobicContact CZ2-CD1 4.34Å; W326-I541 HydrophobicContact CZ2-CG2 3.94Å; W326-I541 HydrophobicContact CZ3-CG2 4.44Å; W326-L587 HydrophobicContact CH2-CB 3.85Å; W326-L587 HydrophobicContact CH2-CD1 4.18Å; W326-L587 HydrophobicContact CH2-CD2 4.31Å; W326-L587 HydrophobicContact CH2-CG 4.33Å; W326-L587 HydrophobicContact CZ2-CB 4.49Å; W326-L587 HydrophobicContact CZ3-CD1 4.36Å
327	V	94.6	Very high	93.1	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	28%	0.275	C	S	.	.			trans	-90.6	136.2	175.9	-176.2	0	0	0	0	108.8	F489 L490	V327-F489 HydrophobicContact CB-CD1 4.09Å; V327-F489 HydrophobicContact CG1-CB 4.01Å; V327-F489 HydrophobicContact CG1-CD1 3.95Å; V327-F489 HydrophobicContact CG1-CG 4.33Å; V327-L490 WeakPolarHBondContact CG1-O 3.44Å
328	P	95.4	Very high	92.8	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.019	30%	0.302	C	S	.	.			trans	-67.6	152	176.9	25.6	-26.2	0	0	0	110.4	F489 L490 R492 S509 P511	P328-F489 WeakPolarHBondContact O-CA 3.44Å; P328-L490 HydrophobicContact CB-CB 4.49Å; P328-L490 WeakPolarHBondContact CD-O 3.33Å; P328-L490 HydrophobicContact CG-CB 4.2Å; P328-L490 WeakPolarHBondContact CG-O 2.91Å; P328-L490 PolarHBondContact O-N 2.95Å; P328-R492 HydrophobicContact CG-CB 4.05Å; P328-R492 HydrophobicContact CG-CG 4.16Å; P328-S509 VanDerWaalsContact CD-OG 3.27Å; P328-S509 WeakPolarHBondContact CD-OG 3.17Å; P328-P511 HydrophobicContact CB-CB 4Å; P328-P511 HydrophobicContact CB-CG 4.48Å; P328-P511 HydrophobicContact CG-CB 3.97Å
329	S	93.3	Very high	92.6	Very high	8 Å²	8	60.5 Å²	60.5	6%	0.056	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-142.9	140.1	-179.2	177.3	0	0	0	0	109.8	N331 N332 P488	S329-N331 PolarHBondContact O-N 2.93Å; S329-N331 VanDerWaalsContact O-N 3.14Å; S329-N332 WeakPolarHBondContact O-CB 3.5Å; S329-N332 PolarHBondContact O-N 3.18Å; S329-P488 CarbonylContact C-O 3.51Å; S329-P488 WeakPolarHBondContact CA-O 3.26Å; S329-P488 VanDerWaalsContact CB-O 3.32Å; S329-P488 WeakPolarHBondContact CB-O 3.41Å; S329-P488 WeakPolarHBondContact OG-CG 3.24Å; S329-P488 PolarHBondContact OG-O 3.05Å
330	T	91.6	Very high	92.6	Very high	24 Å²	24	63 Å²	63	15%	0.147	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-51.2	-37.7	179.1	52.5	0	0	0	0	111.9	N332 W333 P488 L490 N519	T330-N332 PolarHBondContact O-N 2.89Å; T330-N332 VanDerWaalsContact O-N 3.08Å; T330-W333 PolarHBondContact O-N 2.97Å; T330-W333 VanDerWaalsContact O-N 3.07Å; T330-P488 PolarHBondContact N-O 3.29Å; T330-P488 WeakPolarHBondContact OG1-CB 3.49Å; T330-P488 PolarHBondContact OG1-O 2.93Å; T330-L490 HydrophobicContact CG2-CD1 3.98Å; T330-L490 HydrophobicContact CG2-CD2 3.86Å; T330-L490 HydrophobicContact CG2-CG 3.97Å; T330-N519 HydrophobicContact CG2-CB 4.26Å; T330-N519 WeakPolarHBondContact CG2-ND2 3.36Å
331	N	90.1	Very high	92.7	Very high	116 Å²	116	58.7 Å²	58.7	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-72.5	-1	-176.9	-57.4	10.6	0	0	0	113.6	S329 P488	S329-N331 PolarHBondContact O-N 2.93Å; S329-N331 VanDerWaalsContact O-N 3.14Å; N331-P488 WeakPolarHBondContact OD1-CB 3.36Å
332	N	91.8	Very high	92.7	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-109.2	6.2	173.9	-70.3	-39.9	0	0	0	112.4	S329 T330 A537 R538	S329-N332 WeakPolarHBondContact O-CB 3.5Å; S329-N332 PolarHBondContact O-N 3.18Å; T330-N332 PolarHBondContact O-N 2.89Å; T330-N332 VanDerWaalsContact O-N 3.08Å; N332-A537 CarbonylContact O-C 3.59Å; N332-A537 VanDerWaalsContact O-CA 3.26Å; N332-A537 WeakPolarHBondContact O-CA 3.05Å; N332-R538 HydrophobicContact CB-CB 4.05Å; N332-R538 PolarHBondContact O-N 3.22Å
333	W	92.9	Very high	92.7	Very high	16 Å²	16	63.1 Å²	63.1	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	88.6	-175	-74.9	75.7	0	0	0	110.6	T330 Y458 L510 P511 L516 Y535 A537	T330-W333 PolarHBondContact O-N 2.97Å; T330-W333 VanDerWaalsContact O-N 3.07Å; W333-Y458 HydrophobicContact CH2-CD2 4.48Å; W333-Y458 AromaticContact CH2-CE2 3.68Å; W333-Y458 HydrophobicContact CH2-CE2 3.68Å; W333-Y458 AromaticContact CZ3-CD2 3.96Å; W333-Y458 HydrophobicContact CZ3-CD2 3.96Å; W333-Y458 AromaticContact CZ3-CE2 3.58Å; W333-Y458 HydrophobicContact CZ3-CE2 3.58Å; W333-L510 HydrophobicContact CH2-CD1 4.41Å; W333-L510 HydrophobicContact CH2-CG 4.14Å; W333-L510 HydrophobicContact CZ2-CD1 4.41Å; W333-L510 HydrophobicContact CZ2-CG 4.35Å; W333-P511 HydrophobicContact CZ2-CG 4.34Å; W333-L516 HydrophobicContact CB-CD1 3.98Å; W333-L516 HydrophobicContact CD2-CD1 4.48Å; W333-L516 HydrophobicContact CD2-CD2 4.2Å; W333-L516 HydrophobicContact CE3-CD2 3.71Å; W333-L516 HydrophobicContact CG-CD1 4.17Å; W333-L516 HydrophobicContact CZ3-CD2 4.18Å; W333-Y535 HydrophobicContact CB-CD1 4.5Å; W333-Y535 HydrophobicContact CE3-CD2 4.2Å; W333-Y535 AromaticContact CE3-CG 3.95Å; W333-Y535 HydrophobicContact CE3-CG 3.95Å; W333-A537 HydrophobicContact CD2-CB 3.69Å; W333-A537 HydrophobicContact CE3-CB 3.87Å; W333-A537 HydrophobicContact CG-CB 4.27Å; W333-A537 HydrophobicContact CH2-CB 3.91Å; W333-A537 HydrophobicContact CZ2-CB 3.74Å; W333-A537 HydrophobicContact CZ3-CB 3.99Å
334	E	92.6	Very high	92.7	Very high	129 Å²	129	62.4 Å²	62.4	60%	0.603	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.6	-178.1	-66.5	169.6	-175.2	0	0	109.7	Y535 K536	E334-Y535 CarbonylContact O-C 3.57Å; E334-Y535 VanDerWaalsContact O-CA 3.25Å; E334-Y535 WeakPolarHBondContact O-CA 3.3Å; E334-K536 PolarHBondContact N-O 2.89Å; E334-K536 PolarHBondContact O-N 2.67Å
335	P	93	Very high	92.8	Very high	55 Å²	55	58.5 Å²	58.5	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.7	177.1	28.7	-33.8	0	0	0	110.6	Y535	P335-Y535 HydrophobicContact CB-CD1 4.16Å; P335-Y535 HydrophobicContact CB-CE1 4.13Å
336	V	94	Very high	93	Very high	9 Å²	9	53 Å²	53	6%	0.055	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-71.3	128.4	175.3	179.5	0	0	0	0	109.4	E340 L341 Y344 A461 I534 K536	V336-E340 HydrophobicContact CG1-CB 3.87Å; V336-L341 HydrophobicContact CB-CD1 4.35Å; V336-L341 HydrophobicContact CG1-CD1 4.35Å; V336-Y344 HydrophobicContact CG1-CD2 3.95Å; V336-Y344 HydrophobicContact CG1-CE2 3.76Å; V336-A461 HydrophobicContact CG2-CB 3.89Å; V336-I534 HydrophobicContact CB-CB 4.39Å; V336-I534 HydrophobicContact CB-CG2 4.44Å; V336-I534 HydrophobicContact CG2-CB 4.33Å; V336-I534 HydrophobicContact CG2-CG2 3.93Å; V336-I534 PolarHBondContact N-O 3.26Å; V336-K536 HydrophobicContact CG2-CB 4.39Å
337	P	91.3	Very high	93	Very high	67 Å²	67	57.2 Å²	57.2	44%	0.435	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-58.4	146.2	174.2	-26.9	36.8	0	0	0	112.9	N339 E340 L341	P337-N339 VanDerWaalsContact C-N 3.28Å; P337-N339 WeakPolarHBondContact CB-OD1 3.37Å; P337-N339 PolarHBondContact O-N 2.63Å; P337-E340 WeakPolarHBondContact O-CA 3.46Å; P337-E340 PolarHBondContact O-N 3.15Å; P337-L341 PolarHBondContact O-N 3.37Å
338	E	88.7	Confident	93.1	Very high	157 Å²	157	58 Å²	58	73%	0.734	29%	0.294	S	S	*	.	H	α-helix	trans	-61.9	-34.3	-173.6	-59.8	-165.7	152.5	0	0	113.3	E340 L341	E338-E340 PolarHBondContact O-N 2.91Å; E338-L341 VanDerWaalsContact O-CB 3.32Å; E338-L341 WeakPolarHBondContact O-CB 3.44Å; E338-L341 PolarHBondContact O-N 2.87Å; E338-L341 VanDerWaalsContact O-N 3.15Å
339	N	90.9	Very high	93.2	Very high	141 Å²	141	63.4 Å²	63.4	75%	0.754	32%	0.322	S	S	*	.	H	α-helix	trans	-68.2	-17.9	174.9	66.2	-62.7	0	0	0	113.8	P337	P337-N339 VanDerWaalsContact C-N 3.28Å; P337-N339 WeakPolarHBondContact CB-OD1 3.37Å; P337-N339 PolarHBondContact O-N 2.63Å
340	E	92.4	Very high	93.3	Very high	75 Å²	75	67.7 Å²	67.7	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-99	-3.4	172.7	-75.5	-165.4	-145.9	0	0	113	V336 P337 E338 K343 Y344	V336-E340 HydrophobicContact CG1-CB 3.87Å; P337-E340 WeakPolarHBondContact O-CA 3.46Å; P337-E340 PolarHBondContact O-N 3.15Å; E338-E340 PolarHBondContact O-N 2.91Å; E340-K343 WeakPolarHBondContact O-CB 3.17Å; E340-K343 PolarHBondContact O-N 2.79Å; E340-Y344 HydrophobicContact CB-CE2 4.27Å; E340-Y344 VanDerWaalsContact O-CD2 3.3Å; E340-Y344 WeakPolarHBondContact O-CD2 3.11Å; E340-Y344 PolarHBondContact OE2-OH 2.62Å
341	L	91.8	Very high	93.6	Very high	24 Å²	24	66.7 Å²	66.7	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-54	-167.1	-157.9	71.6	0	0	0	112.9	V336 P337 E338 K343 Y344 L345 I534	V336-L341 HydrophobicContact CB-CD1 4.35Å; V336-L341 HydrophobicContact CG1-CD1 4.35Å; P337-L341 PolarHBondContact O-N 3.37Å; E338-L341 VanDerWaalsContact O-CB 3.32Å; E338-L341 WeakPolarHBondContact O-CB 3.44Å; E338-L341 PolarHBondContact O-N 2.87Å; E338-L341 VanDerWaalsContact O-N 3.15Å; L341-K343 PolarHBondContact O-N 3.14Å; L341-Y344 PolarHBondContact O-N 2.89Å; L341-L345 HydrophobicContact CD2-CD1 4.45Å; L341-L345 HydrophobicContact CG-CD1 4.37Å; L341-L345 HydrophobicContact CG-CD2 4.47Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 WeakPolarHBondContact O-CG 2.91Å; L341-L345 PolarHBondContact O-N 3.41Å; L341-I534 HydrophobicContact CD1-CB 3.74Å; L341-I534 HydrophobicContact CD1-CG1 3.53Å; L341-I534 HydrophobicContact CG-CG1 4.36Å
342	E	93.2	Very high	93.9	Very high	101 Å²	101	61.3 Å²	61.3	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-14.9	179.5	-60.5	-61.3	145.7	0	0	113.2	Y344 R373 R418	E342-Y344 VanDerWaalsContact C-N 3.25Å; E342-Y344 PolarHBondContact O-N 3.25Å; E342-R373 IonicContact OE1-NH1 2.67Å; E342-R373 IonicContact OE2-CZ 2.63Å; E342-R373 IonicContact OE2-NH1 3.86Å; E342-R373 PolarHBondContact OE2-NH1 2.72Å; E342-R373 IonicContact OE2-NH2 3.35Å; E342-R418 PolarHBondContact O-NH2 2.92Å
343	K	94.2	Very high	94.2	Very high	87 Å²	87	58.8 Å²	58.8	38%	0.378	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-33.1	171.3	-164.4	-137.2	-171.7	-174.8	0	111.7	E340 L341 R418 P433 D463	E340-K343 WeakPolarHBondContact O-CB 3.17Å; E340-K343 PolarHBondContact O-N 2.79Å; L341-K343 PolarHBondContact O-N 3.14Å; K343-R418 PolarHBondContact O-NE 2.74Å; K343-R418 PolarHBondContact O-NH2 3.26Å; K343-P433 HydrophobicContact CD-CB 4.4Å; K343-P433 HydrophobicContact CD-CG 3.89Å; K343-P433 HydrophobicContact CG-CG 3.95Å; K343-P433 WeakPolarHBondContact O-CB 3.32Å; K343-D463 IonicContact NZ-OD1 2.67Å; K343-D463 PolarHBondContact NZ-OD1 3.3Å
344	Y	95.4	Very high	94.4	Very high	1 Å²	1	58 Å²	58	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-105.1	-21.7	-179.4	-52.6	-87.3	0	0	0	113	V336 E340 L341 E342 P433 L435 A461 D463 K536	V336-Y344 HydrophobicContact CG1-CD2 3.95Å; V336-Y344 HydrophobicContact CG1-CE2 3.76Å; E340-Y344 HydrophobicContact CB-CE2 4.27Å; E340-Y344 VanDerWaalsContact O-CD2 3.3Å; E340-Y344 WeakPolarHBondContact O-CD2 3.11Å; E340-Y344 PolarHBondContact OE2-OH 2.62Å; L341-Y344 PolarHBondContact O-N 2.89Å; E342-Y344 VanDerWaalsContact C-N 3.25Å; E342-Y344 PolarHBondContact O-N 3.25Å; Y344-P433 HydrophobicContact CD1-CB 3.72Å; Y344-P433 HydrophobicContact CE1-CB 4.15Å; Y344-P433 HydrophobicContact CG-CB 4.39Å; Y344-L435 WeakPolarHBondContact O-CB 3.36Å; Y344-A461 HydrophobicContact CD1-CB 3.6Å; Y344-A461 HydrophobicContact CD2-CB 4.12Å; Y344-A461 HydrophobicContact CE1-CB 4Å; Y344-A461 HydrophobicContact CE2-CB 4.47Å; Y344-A461 HydrophobicContact CG-CB 3.68Å; Y344-D463 WeakPolarHBondContact CE1-OD1 3.43Å; Y344-K536 PolarHBondContact OH-NZ 3.42Å
345	L	95.5	Very high	94.5	Very high	11 Å²	11	54 Å²	54	6%	0.058	27%	0.271	C	S	.	.	S	Bend	trans	-65.9	149.3	178.4	-58.2	-164.4	0	0	0	111.6	L341 F374 R418 L435 I534	L341-L345 HydrophobicContact CD2-CD1 4.45Å; L341-L345 HydrophobicContact CG-CD1 4.37Å; L341-L345 HydrophobicContact CG-CD2 4.47Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 WeakPolarHBondContact O-CG 2.91Å; L341-L345 PolarHBondContact O-N 3.41Å; L345-F374 HydrophobicContact CD1-CE2 4.17Å; L345-F374 HydrophobicContact CD2-CE2 4.08Å; L345-F374 HydrophobicContact CD2-CZ 4.06Å; L345-R418 PolarHBondContact O-NE 3.02Å; L345-L435 HydrophobicContact CD2-CD2 4.05Å; L345-I534 HydrophobicContact CD2-CD1 4.08Å; L345-I534 HydrophobicContact CD2-CG1 4.04Å
346	P	95.6	Very high	94.5	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.013	26%	0.255	C	S	.	.			trans	-62.3	151	163	-21.4	36.1	0	0	0	110.8	R373 A390 G391 C416	P346-R373 PolarHBondContact O-NE 3.49Å; P346-R373 VanDerWaalsContact O-NE 3.08Å; P346-R373 PolarHBondContact O-NH1 3.35Å; P346-R373 PolarHBondContact O-NH2 3.14Å; P346-A390 WeakPolarHBondContact CG-O 3.48Å; P346-G391 WeakPolarHBondContact CB-O 3.24Å; P346-C416 WeakPolarHBondContact CG-SG 3.38Å
347	Q	95.3	Very high	94.4	Very high	102 Å²	102	52.6 Å²	52.6	48%	0.477	26%	0.263	S	S	.	.	S	Bend	trans	-83.8	-33.1	-167.8	-62.8	-179.8	27.3	0	0	113.2	R373 R418	Q347-R373 PolarHBondContact O-NH2 3.29Å; Q347-R418 WeakPolarHBondContact CB-O 3.43Å; Q347-R418 HydrophobicContact CG-CB 4.42Å; Q347-R418 WeakPolarHBondContact CG-O 3.43Å; Q347-R418 PolarHBondContact N-O 3.01Å
348	E	96.6	Very high	94.2	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	25%	0.249	C	C	.	.			trans	-72.1	136.5	-174.3	-152.8	62.7	-108.8	0	0	110.7	E350 R373 F389 G391 M420 Y802 K803	E348-E350 WeakPolarHBondContact CG-O 3.33Å; E348-R373 PolarHBondContact O-NE 3.21Å; E348-F389 HydrophobicContact CB-CZ 4.14Å; E348-F389 HydrophobicContact CG-CZ 4.3Å; E348-G391 WeakPolarHBondContact CB-O 3.49Å; E348-G391 PolarHBondContact N-O 2.93Å; E348-M420 HydrophobicContact CB-CE 3.6Å; E348-M420 HydrophobicContact CB-CG 4.29Å; E348-M420 HydrophobicContact CG-CE 3.85Å; E348-M420 HydrophobicContact CG-CG 4.41Å; E348-Y802 HydrophobicContact CG-CE1 4.08Å; E348-K803 WeakPolarHBondContact OE2-CE 3.4Å
349	L	96.1	Very high	93.8	Very high	115 Å²	115	45.3 Å²	45.3	60%	0.602	22%	0.222	S	C	*	.			trans	-100.2	-29.5	-172.3	-78.5	167.2	0	0	0	113.1	S372 R373	L349-S372 CarbonylContact O-C 3.54Å; L349-S372 WeakPolarHBondContact O-CA 3.49Å; L349-R373 VanDerWaalsContact CD2-NH2 3.35Å; L349-R373 PolarHBondContact O-N 2.73Å
350	E	97.3	Very high	92.9	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-127.9	148.7	175.9	-66.9	-178.1	-171.5	0	0	109.7	E348 R370 L371 F389	E348-E350 WeakPolarHBondContact CG-O 3.33Å; E350-R370 VanDerWaalsContact OE2-CD 3.25Å; E350-R370 WeakPolarHBondContact OE2-CD 3.49Å; E350-R370 IonicContact OE2-CZ 3.66Å; E350-R370 IonicContact OE2-NE 3.44Å; E350-R370 IonicContact OE2-NH1 2.7Å; E350-R370 PolarHBondContact OE2-NH1 3.26Å; E350-L371 CarbonylContact C-O 3.56Å; E350-L371 WeakPolarHBondContact CA-O 3.18Å; E350-F389 WeakPolarHBondContact O-CZ 3.03Å
351	S	97.6	Very high	92	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.021	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-66.3	155.5	171.3	75.4	0	0	0	0	111.5	A353 L371 F389	S351-A353 PolarHBondContact O-N 3.16Å; S351-L371 PolarHBondContact N-O 3.34Å; S351-L371 PolarHBondContact OG-N 2.85Å; S351-F389 VanDerWaalsContact N-CE1 3.34Å
352	A	96.4	Very high	90.5	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-47.1	139.8	154.3	0	0	0	0	0	109.4	Y802 V806 L811 T873	A352-Y802 PolarHBondContact N-OH 2.75Å; A352-V806 HydrophobicContact CB-CB 4.49Å; A352-V806 HydrophobicContact CB-CG1 3.66Å; A352-L811 HydrophobicContact CB-CD1 4.11Å; A352-T873 HydrophobicContact CB-CG2 3.98Å
353	A	97.3	Very high	88.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.7	144.2	179.4	0	0	0	0	0	110.4	S351 L368 L369 R370 Y758 Y810 L811	S351-A353 PolarHBondContact O-N 3.16Å; A353-L368 HydrophobicContact CB-CD1 4.04Å; A353-L368 HydrophobicContact CB-CD2 3.82Å; A353-L368 HydrophobicContact CB-CG 3.92Å; A353-L369 CarbonylContact C-O 3.56Å; A353-L369 VanDerWaalsContact CA-O 3.31Å; A353-L369 WeakPolarHBondContact CA-O 3.47Å; A353-R370 HydrophobicContact CB-CG 4.15Å; A353-Y758 WeakPolarHBondContact CB-OH 3.38Å; A353-Y810 WeakPolarHBondContact O-CA 3.37Å; A353-Y810 WeakPolarHBondContact O-CB 3.44Å; A353-L811 PolarHBondContact O-N 3.32Å
354	F	96.5	Very high	87	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.9	-177.2	68.7	-80.6	0	0	0	115	V356 L369 L371 M377 F387 L811 F813 L875	F354-V356 HydrophobicContact CD2-CG2 4.12Å; F354-V356 HydrophobicContact CE2-CG2 4.3Å; F354-L369 HydrophobicContact CD1-CB 4.08Å; F354-L369 WeakPolarHBondContact CD1-O 3.32Å; F354-L369 HydrophobicContact CD2-CB 4.24Å; F354-L369 HydrophobicContact CD2-CD1 4.23Å; F354-L369 HydrophobicContact CE1-CB 3.78Å; F354-L369 HydrophobicContact CE2-CB 3.95Å; F354-L369 HydrophobicContact CE2-CD1 3.64Å; F354-L369 HydrophobicContact CE2-CG 4.45Å; F354-L369 HydrophobicContact CG-CB 4.31Å; F354-L369 HydrophobicContact CZ-CB 3.71Å; F354-L369 HydrophobicContact CZ-CD1 4Å; F354-L369 PolarHBondContact N-O 2.76Å; F354-L369 WeakPolarHBondContact O-CB 3.46Å; F354-L369 PolarHBondContact O-N 3.2Å; F354-L371 HydrophobicContact CE1-CD1 4.34Å; F354-L371 HydrophobicContact CE1-CG 4.18Å; F354-L371 HydrophobicContact CZ-CD1 4.16Å; F354-L371 HydrophobicContact CZ-CG 4.27Å; F354-M377 HydrophobicContact CE2-SD 4.16Å; F354-M377 HydrophobicContact CZ-SD 3.94Å; F354-F387 HydrophobicContact CD2-CD1 4.38Å; F354-F387 AromaticContact CD2-CE1 3.94Å; F354-F387 HydrophobicContact CD2-CE1 3.94Å; F354-F387 HydrophobicContact CD2-CE2 4.47Å; F354-F387 AromaticContact CD2-CZ 3.97Å; F354-F387 HydrophobicContact CD2-CZ 3.97Å; F354-F387 AromaticContact CE2-CD1 3.77Å; F354-F387 HydrophobicContact CE2-CD1 3.77Å; F354-F387 AromaticContact CE2-CD2 3.91Å; F354-F387 HydrophobicContact CE2-CD2 3.91Å; F354-F387 AromaticContact CE2-CE1 3.72Å; F354-F387 HydrophobicContact CE2-CE1 3.72Å; F354-F387 AromaticContact CE2-CE2 3.88Å; F354-F387 HydrophobicContact CE2-CE2 3.88Å; F354-F387 AromaticContact CE2-CG 3.84Å; F354-F387 HydrophobicContact CE2-CG 3.84Å; F354-F387 AromaticContact CE2-CZ 3.76Å; F354-F387 HydrophobicContact CE2-CZ 3.76Å; F354-F387 HydrophobicContact CZ-CB 4.33Å; F354-F387 HydrophobicContact CZ-CD1 4.05Å; F354-F387 HydrophobicContact CZ-CD2 4.45Å; F354-F387 HydrophobicContact CZ-CE1 4.42Å; F354-F387 HydrophobicContact CZ-CG 4.04Å; F354-L811 CarbonylContact C-O 3.34Å; F354-L811 WeakPolarHBondContact CA-O 3.35Å; F354-L811 HydrophobicContact CB-CB 3.99Å; F354-L811 WeakPolarHBondContact CB-O 3.25Å; F354-F813 HydrophobicContact CB-CD2 4.11Å; F354-F813 HydrophobicContact CB-CE2 3.77Å; F354-F813 HydrophobicContact CD2-CD2 4.09Å; F354-F813 HydrophobicContact CD2-CE2 4.03Å; F354-F813 HydrophobicContact CG-CD2 4.48Å; F354-F813 HydrophobicContact CG-CE2 4.11Å; F354-L875 HydrophobicContact CB-CD1 4.38Å; F354-L875 HydrophobicContact CD1-CD1 3.82Å; F354-L875 HydrophobicContact CD1-CD2 4.29Å; F354-L875 HydrophobicContact CE1-CD1 4.29Å; F354-L875 HydrophobicContact CE1-CD2 3.93Å; F354-L875 HydrophobicContact CG-CD1 4.14Å; F354-L875 HydrophobicContact CZ-CD2 4.46Å
355	K	95	Very high	85.2	Confident	43 Å²	43	66.1 Å²	66.1	19%	0.187	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151	175.2	-172.2	165.5	-179.2	166.4	0	109.2	T366 Y810 L811 H812 F813	K355-T366 WeakPolarHBondContact CE-O 3.44Å; K355-T366 WeakPolarHBondContact CG-OG1 3.41Å; K355-Y810 HydrophobicContact CB-CD2 4.29Å; K355-Y810 HydrophobicContact CB-CE2 3.99Å; K355-L811 PolarHBondContact N-O 3.38Å; K355-H812 WeakPolarHBondContact O-CA 3.2Å; K355-F813 PolarHBondContact O-N 3.4Å
356	V	93.3	Very high	84	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.8	179.6	-171.9	0	0	0	0	109.6	F354 R358 T366 F387 F813 D815	F354-V356 HydrophobicContact CD2-CG2 4.12Å; F354-V356 HydrophobicContact CE2-CG2 4.3Å; V356-R358 HydrophobicContact CG1-CG 4.21Å; V356-T366 WeakPolarHBondContact O-CB 3.45Å; V356-T366 VanDerWaalsContact O-CG2 3.29Å; V356-T366 WeakPolarHBondContact O-CG2 3.33Å; V356-T366 PolarHBondContact O-OG1 2.65Å; V356-F387 HydrophobicContact CG2-CE2 3.67Å; V356-F387 HydrophobicContact CG2-CZ 3.75Å; V356-F813 WeakPolarHBondContact CA-O 3.44Å; V356-F813 HydrophobicContact CG2-CB 4.48Å; V356-D815 WeakPolarHBondContact CG1-OD2 3.46Å
357	S	91.4	Very high	83.5	Confident	31 Å²	31	71.9 Å²	71.9	22%	0.217	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	152.7	164.4	58.2	0	0	0	0	110.3	H812 F813 D815	S357-H812 VanDerWaalsContact CB-NE2 3.32Å; S357-H812 WeakPolarHBondContact CB-NE2 3.42Å; S357-H812 PolarHBondContact OG-NE2 3.01Å; S357-F813 PolarHBondContact N-O 3.28Å; S357-D815 PolarHBondContact O-N 2.91Å
358	R	88.8	Confident	83.4	Confident	40 Å²	40	71.1 Å²	71.1	15%	0.151	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.6	-172.9	-58.4	-173.6	-178.9	79.2	1.8	109.4	V356 L361 H380 D385 D815	V356-R358 HydrophobicContact CG1-CG 4.21Å; R358-L361 HydrophobicContact CB-CD1 4.01Å; R358-L361 PolarHBondContact O-N 3.16Å; R358-H380 VanDerWaalsContact CD-CE1 3.47Å; R358-H380 WeakPolarHBondContact CD-CE1 3.44Å; R358-H380 PolarHBondContact NE-ND1 3.26Å; R358-D385 IonicContact CZ-OD1 2.72Å; R358-D385 IonicContact CZ-OD2 3.83Å; R358-D385 IonicContact NE-OD1 3.79Å; R358-D385 PolarHBondContact NE-OD1 3.39Å; R358-D385 VanDerWaalsContact NE-OD1 3.1Å; R358-D385 IonicContact NE-OD2 3.44Å; R358-D385 PolarHBondContact NE-OD2 3.29Å; R358-D385 IonicContact NH2-OD1 3.35Å; R358-D385 IonicContact NH2-OD2 3.1Å; R358-D385 PolarHBondContact NH2-OD2 3.15Å; R358-D815 HydrophobicContact CB-CB 4.39Å; R358-D815 HydrophobicContact CG-CB 4.11Å; R358-D815 WeakPolarHBondContact CG-OD2 3.45Å; R358-D815 IonicContact NE-OD2 3.64Å
359	D	79.1	Confident	83.3	Confident	32 Å²	32	71.4 Å²	71.4	17%	0.171	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	143.5	176.8	-92.1	0.3	0	0	0	111.5	L361 D815 L816 D817 H827	D359-L361 PolarHBondContact O-N 3.23Å; D359-D815 WeakPolarHBondContact CB-O 3.34Å; D359-D815 PolarHBondContact N-O 3.21Å; D359-L816 WeakPolarHBondContact OD2-CD1 3.15Å; D359-D817 HydrophobicContact CB-CB 4.4Å; D359-H827 IonicContact OD2-CE1 3.62Å; D359-H827 IonicContact OD2-CG 2.63Å; D359-H827 IonicContact OD2-ND1 2.75Å; D359-H827 PolarHBondContact OD2-ND1 3.22Å
360	N	72.6	Confident	83.3	Confident	118 Å²	118	71.7 Å²	71.7	63%	0.631	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	3.6	-177.8	-48.1	-44.8	0	0	0	116.5	D817	N360-D817 PolarHBondContact ND2-OD2 3.03Å
361	L	73.8	Confident	83.3	Confident	94 Å²	94	67.2 Å²	67.2	49%	0.492	34%	0.338	S	S	.	.	S	Bend	trans	-98.5	147.7	162.6	-77.6	160.9	0	0	0	109.5	R358 D359	R358-L361 HydrophobicContact CB-CD1 4.01Å; R358-L361 PolarHBondContact O-N 3.16Å; D359-L361 PolarHBondContact O-N 3.23Å
362	N	59.7	Low	83.3	Confident	142 Å²	142	70 Å²	70	76%	0.759	36%	0.357	S	S	*	.			trans	-61.5	154.2	171.3	-74.8	-15.8	0	0	0	109.8	E364	N362-E364 PolarHBondContact O-N 3.2Å
363	Q	59.7	Low	83.3	Confident	185 Å²	185	71.9 Å²	71.9	86%	0.864	36%	0.364	S	S	*	.			trans	-74.4	57.8	167.9	-67.6	179.5	-16.8	0	0	110.8
364	E	54.5	Low	83.2	Confident	158 Å²	158	73.4 Å²	73.4	74%	0.738	37%	0.371	S	S	*	.			trans	-58.8	137.3	153	-69	179.7	176.4	0	0	107.3	N362 T366	N362-E364 PolarHBondContact O-N 3.2Å; E364-T366 VanDerWaalsContact C-N 3.33Å; E364-T366 PolarHBondContact O-N 2.64Å
365	E	57.3	Low	83.2	Confident	168 Å²	168	77.3 Å²	77.3	79%	0.785	39%	0.389	S	S	*	.			trans	-70.6	92.5	-176.6	-64.5	-170.3	129.9	0	0	110	P367	E365-P367 VanDerWaalsContact O-N 3.17Å
366	T	69.8	Low	83.3	Confident	42 Å²	42	75.6 Å²	75.6	26%	0.258	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.7	122.5	164.9	43.3	0	0	0	0	107.6	K355 V356 E364	K355-T366 WeakPolarHBondContact CE-O 3.44Å; K355-T366 WeakPolarHBondContact CG-OG1 3.41Å; V356-T366 WeakPolarHBondContact O-CB 3.45Å; V356-T366 VanDerWaalsContact O-CG2 3.29Å; V356-T366 WeakPolarHBondContact O-CG2 3.33Å; V356-T366 PolarHBondContact O-OG1 2.65Å; E364-T366 VanDerWaalsContact C-N 3.33Å; E364-T366 PolarHBondContact O-N 2.64Å
367	P	85.4	Confident	83.4	Confident	93 Å²	93	78 Å²	78	60%	0.604	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63	155.9	-174.1	26	-34.8	0	0	0	109.7	E365 L369	E365-P367 VanDerWaalsContact O-N 3.17Å; P367-L369 HydrophobicContact CG-CD2 4.37Å; P367-L369 PolarHBondContact O-N 3.03Å
368	L	92.8	Very high	83.5	Confident	85 Å²	85	79.2 Å²	79.2	45%	0.445	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-70.4	121.6	173.6	-170	71.6	0	0	0	109.2	A353 Y758 Y810	A353-L368 HydrophobicContact CB-CD1 4.04Å; A353-L368 HydrophobicContact CB-CD2 3.82Å; A353-L368 HydrophobicContact CB-CG 3.92Å; L368-Y758 HydrophobicContact CD2-CD1 4.39Å; L368-Y758 HydrophobicContact CD2-CE1 3.74Å; L368-Y810 HydrophobicContact CD1-CD1 4.39Å; L368-Y810 HydrophobicContact CD1-CD2 3.74Å; L368-Y810 HydrophobicContact CD1-CE2 4.36Å; L368-Y810 HydrophobicContact CD1-CG 3.75Å
369	L	95.3	Very high	83.7	Confident	46 Å²	46	77.4 Å²	77.4	24%	0.241	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-100.9	150.2	-174.2	-60.3	169.8	0	0	0	111.3	A353 F354 P367 M377	A353-L369 CarbonylContact C-O 3.56Å; A353-L369 VanDerWaalsContact CA-O 3.31Å; A353-L369 WeakPolarHBondContact CA-O 3.47Å; F354-L369 HydrophobicContact CD1-CB 4.08Å; F354-L369 WeakPolarHBondContact CD1-O 3.32Å; F354-L369 HydrophobicContact CD2-CB 4.24Å; F354-L369 HydrophobicContact CD2-CD1 4.23Å; F354-L369 HydrophobicContact CE1-CB 3.78Å; F354-L369 HydrophobicContact CE2-CB 3.95Å; F354-L369 HydrophobicContact CE2-CD1 3.64Å; F354-L369 HydrophobicContact CE2-CG 4.45Å; F354-L369 HydrophobicContact CG-CB 4.31Å; F354-L369 HydrophobicContact CZ-CB 3.71Å; F354-L369 HydrophobicContact CZ-CD1 4Å; F354-L369 PolarHBondContact N-O 2.76Å; F354-L369 WeakPolarHBondContact O-CB 3.46Å; F354-L369 PolarHBondContact O-N 3.2Å; P367-L369 HydrophobicContact CG-CD2 4.37Å; P367-L369 PolarHBondContact O-N 3.03Å; L369-M377 HydrophobicContact CD1-CE 3.58Å; L369-M377 HydrophobicContact CD1-SD 3.85Å; L369-M377 HydrophobicContact CD2-CE 4.32Å
370	R	96.8	Very high	84.3	Confident	120 Å²	120	78.1 Å²	78.1	45%	0.453	40%	0.402	S	S	.	.			trans	-135.6	156.6	161.4	-71	-172.3	176.8	-143.8	-8.3	108.4	E350 A353	E350-R370 VanDerWaalsContact OE2-CD 3.25Å; E350-R370 WeakPolarHBondContact OE2-CD 3.49Å; E350-R370 IonicContact OE2-CZ 3.66Å; E350-R370 IonicContact OE2-NE 3.44Å; E350-R370 IonicContact OE2-NH1 2.7Å; E350-R370 PolarHBondContact OE2-NH1 3.26Å; A353-R370 HydrophobicContact CB-CG 4.15Å
371	L	97.3	Very high	85	Confident	6 Å²	6	77.1 Å²	77.1	3%	0.031	40%	0.402	C	S	.	.			trans	-127.3	134.8	172.7	-69.4	175.4	0	0	0	109.4	E350 S351 F354 E375 M377 F387 F389 L875	E350-L371 CarbonylContact C-O 3.56Å; E350-L371 WeakPolarHBondContact CA-O 3.18Å; S351-L371 PolarHBondContact N-O 3.34Å; S351-L371 PolarHBondContact OG-N 2.85Å; F354-L371 HydrophobicContact CE1-CD1 4.34Å; F354-L371 HydrophobicContact CE1-CG 4.18Å; F354-L371 HydrophobicContact CZ-CD1 4.16Å; F354-L371 HydrophobicContact CZ-CG 4.27Å; L371-E375 HydrophobicContact CB-CB 4.27Å; L371-E375 HydrophobicContact CD2-CB 4.31Å; L371-E375 HydrophobicContact CD2-CG 4.06Å; L371-M377 HydrophobicContact CD1-CG 4.26Å; L371-M377 HydrophobicContact CD2-CG 3.88Å; L371-F387 HydrophobicContact CD1-CB 3.85Å; L371-F389 HydrophobicContact CB-CB 3.77Å; L371-F389 HydrophobicContact CD1-CB 4.37Å; L371-F389 VanDerWaalsContact O-CD1 3.28Å; L371-F389 WeakPolarHBondContact O-CD1 3.3Å; L371-L875 HydrophobicContact CD1-CD2 4.22Å
372	S	97.4	Very high	85.5	Confident	62 Å²	62	74 Å²	74	43%	0.434	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-68	158.7	172.1	-41.3	0	0	0	0	110.7	L349 F374 E375 F389	L349-S372 CarbonylContact O-C 3.54Å; L349-S372 WeakPolarHBondContact O-CA 3.49Å; S372-F374 PolarHBondContact O-N 2.98Å; S372-F374 VanDerWaalsContact O-N 3.13Å; S372-E375 WeakPolarHBondContact CB-OE2 3.47Å; S372-E375 PolarHBondContact N-OE2 2.78Å; S372-E375 WeakPolarHBondContact O-CB 3.42Å; S372-E375 PolarHBondContact O-N 2.97Å; S372-E375 PolarHBondContact OG-OE2 3.01Å; S372-F389 WeakPolarHBondContact O-CD1 3.31Å
373	R	95.9	Very high	86.8	Confident	40 Å²	40	68.2 Å²	68.2	15%	0.151	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	120.1	176.2	-166.1	-164.8	-64.8	168.2	-6.7	110.5	E342 P346 Q347 E348 L349 E375	E342-R373 IonicContact OE1-NH1 2.67Å; E342-R373 IonicContact OE2-CZ 2.63Å; E342-R373 IonicContact OE2-NH1 3.86Å; E342-R373 PolarHBondContact OE2-NH1 2.72Å; E342-R373 IonicContact OE2-NH2 3.35Å; P346-R373 PolarHBondContact O-NE 3.49Å; P346-R373 VanDerWaalsContact O-NE 3.08Å; P346-R373 PolarHBondContact O-NH1 3.35Å; P346-R373 PolarHBondContact O-NH2 3.14Å; Q347-R373 PolarHBondContact O-NH2 3.29Å; E348-R373 PolarHBondContact O-NE 3.21Å; L349-R373 VanDerWaalsContact CD2-NH2 3.35Å; L349-R373 PolarHBondContact O-N 2.73Å; R373-E375 VanDerWaalsContact C-N 3.31Å
374	F	95.9	Very high	88.3	Confident	33 Å²	33	60.3 Å²	60.3	15%	0.145	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	12.1	-174.7	-40.5	-44.7	0	0	0	116.6	L345 S372 F389 L435 W439 L456 P532	L345-F374 HydrophobicContact CD1-CE2 4.17Å; L345-F374 HydrophobicContact CD2-CE2 4.08Å; L345-F374 HydrophobicContact CD2-CZ 4.06Å; S372-F374 PolarHBondContact O-N 2.98Å; S372-F374 VanDerWaalsContact O-N 3.13Å; F374-F389 WeakPolarHBondContact CA-O 3.33Å; F374-F389 PolarHBondContact N-O 3.23Å; F374-L435 HydrophobicContact CZ-CD2 4.44Å; F374-W439 HydrophobicContact CB-CH2 4.23Å; F374-W439 HydrophobicContact CB-CZ2 4.29Å; F374-W439 HydrophobicContact CD1-CZ2 4.23Å; F374-W439 WeakPolarHBondContact O-CH2 3.1Å; F374-L456 HydrophobicContact CB-CB 4.24Å; F374-L456 HydrophobicContact CB-CD2 4.05Å; F374-L456 HydrophobicContact CD1-CD2 3.51Å; F374-L456 HydrophobicContact CD2-CD2 3.81Å; F374-L456 HydrophobicContact CE1-CD2 3.84Å; F374-L456 HydrophobicContact CE2-CD2 4.09Å; F374-L456 HydrophobicContact CG-CD2 3.51Å; F374-L456 HydrophobicContact CZ-CD2 4.11Å; F374-P532 HydrophobicContact CD2-CG 3.96Å
375	E	96.4	Very high	90.1	Very high	81 Å²	81	53.1 Å²	53.1	38%	0.379	29%	0.289	S	S	.	.			trans	-79.6	162.7	169.2	-159.7	-177	161.1	0	0	111.9	L371 S372 R373 L388 F389	L371-E375 HydrophobicContact CB-CB 4.27Å; L371-E375 HydrophobicContact CD2-CB 4.31Å; L371-E375 HydrophobicContact CD2-CG 4.06Å; S372-E375 WeakPolarHBondContact CB-OE2 3.47Å; S372-E375 PolarHBondContact N-OE2 2.78Å; S372-E375 WeakPolarHBondContact O-CB 3.42Å; S372-E375 PolarHBondContact O-N 2.97Å; S372-E375 PolarHBondContact OG-OE2 3.01Å; R373-E375 VanDerWaalsContact C-N 3.31Å; E375-L388 WeakPolarHBondContact O-CA 3.22Å; E375-F389 PolarHBondContact O-N 2.77Å
376	S	96.9	Very high	91.9	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.049	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-149.7	168.2	179.7	71.1	0	0	0	0	112.9	F387 Q453 P454	S376-F387 CarbonylContact C-O 3.21Å; S376-F387 VanDerWaalsContact CA-O 3.27Å; S376-F387 WeakPolarHBondContact CA-O 3.46Å; S376-F387 WeakPolarHBondContact CB-O 3.41Å; S376-Q453 PolarHBondContact O-NE2 3.25Å; S376-Q453 WeakPolarHBondContact OG-CG 3.16Å; S376-Q453 PolarHBondContact OG-NE2 2.87Å; S376-P454 WeakPolarHBondContact CB-O 3.22Å; S376-P454 PolarHBondContact OG-O 3.03Å
377	M	95.1	Very high	93.2	Very high	55 Å²	55	43.3 Å²	43.3	27%	0.271	24%	0.241	S	C	.	.			trans	-110.9	137.1	175.3	-60.2	-175.6	75.4	0	0	111.9	F354 L369 L371 F387	F354-M377 HydrophobicContact CE2-SD 4.16Å; F354-M377 HydrophobicContact CZ-SD 3.94Å; L369-M377 HydrophobicContact CD1-CE 3.58Å; L369-M377 HydrophobicContact CD1-SD 3.85Å; L369-M377 HydrophobicContact CD2-CE 4.32Å; L371-M377 HydrophobicContact CD1-CG 4.26Å; L371-M377 HydrophobicContact CD2-CG 3.88Å; M377-F387 HydrophobicContact CB-CB 4.48Å; M377-F387 HydrophobicContact CG-CB 4.16Å; M377-F387 PolarHBondContact N-O 2.85Å; M377-F387 HydrophobicContact SD-CB 4.03Å; M377-F387 HydrophobicContact SD-CD2 3.96Å; M377-F387 HydrophobicContact SD-CG 4.3Å
378	A	93.7	Very high	93.8	Very high	56 Å²	56	38.9 Å²	38.9	46%	0.463	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-61.3	146.4	166.7	0	0	0	0	0	112.4	H380 Q453	A378-H380 PolarHBondContact O-N 2.83Å; A378-Q453 HydrophobicContact CB-CB 4.06Å
379	A	93.1	Very high	94.1	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-54.6	128.1	-177.1	0	0	0	0	0	112.6	W384 M386 K449 P450	A379-W384 HydrophobicContact CB-CB 4.4Å; A379-M386 VanDerWaalsContact CA-CG 3.43Å; A379-M386 HydrophobicContact CB-CG 3.72Å; A379-M386 HydrophobicContact CB-SD 3.83Å; A379-K449 HydrophobicContact CB-CG 4.24Å; A379-K449 WeakPolarHBondContact O-CE 3.3Å; A379-K449 PolarHBondContact O-NZ 3.31Å; A379-P450 HydrophobicContact CB-CB 4.28Å; A379-P450 HydrophobicContact CB-CG 4.15Å
380	H	91.8	Very high	94.2	Very high	47 Å²	47	32.6 Å²	32.6	22%	0.218	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-59.2	128.9	177.4	173.5	-122.8	0	0	0	110.8	R358 A378 G382 H383 W384 D385	R358-H380 VanDerWaalsContact CD-CE1 3.47Å; R358-H380 WeakPolarHBondContact CD-CE1 3.44Å; R358-H380 PolarHBondContact NE-ND1 3.26Å; A378-H380 PolarHBondContact O-N 2.83Å; H380-G382 VanDerWaalsContact C-N 3.34Å; H380-G382 PolarHBondContact O-N 2.79Å; H380-G382 VanDerWaalsContact O-N 3.09Å; H380-H383 AromaticContact CE1-CD2 3.54Å; H380-H383 AromaticContact ND1-CD2 3.66Å; H380-H383 AromaticContact ND1-CG 3.87Å; H380-H383 PolarHBondContact O-N 2.8Å; H380-W384 WeakPolarHBondContact O-CA 3.36Å; H380-W384 PolarHBondContact O-N 3.46Å; H380-D385 VanDerWaalsContact CB-OD1 3.27Å; H380-D385 WeakPolarHBondContact CB-OD1 3.2Å; H380-D385 IonicContact CG-OD1 3.44Å; H380-D385 PolarHBondContact N-O 2.96Å; H380-D385 IonicContact ND1-OD1 3.73Å; H380-D385 PolarHBondContact ND1-OD1 3.06Å
381	P	86.9	Confident	94.1	Very high	97 Å²	97	26.9 Å²	26.9	63%	0.63	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.8	-164.9	-31.2	36.6	0	0	0	116.3	W384	P381-W384 PolarHBondContact O-NE1 3.16Å; P381-W384 VanDerWaalsContact O-NE1 3.16Å
382	G	84.4	Confident	94.1	Very high	29 Å²	29	26.6 Å²	26.6	30%	0.299	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-23.7	-174.1	0	0	0	0	0	116.3	H380 R819	H380-G382 VanDerWaalsContact C-N 3.34Å; H380-G382 PolarHBondContact O-N 2.79Å; H380-G382 VanDerWaalsContact O-N 3.09Å; G382-R819 PolarHBondContact O-NH1 3Å
383	H	86.3	Confident	94.1	Very high	20 Å²	20	23.8 Å²	23.8	9%	0.093	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-20	-171.7	-64.6	-124	0	0	0	113	H380 D385 R819	H380-H383 AromaticContact CE1-CD2 3.54Å; H380-H383 AromaticContact ND1-CD2 3.66Å; H380-H383 AromaticContact ND1-CG 3.87Å; H380-H383 PolarHBondContact O-N 2.8Å; H383-D385 VanDerWaalsContact CB-OD1 3.32Å; H383-D385 WeakPolarHBondContact CB-OD1 3.47Å; H383-D385 PolarHBondContact O-N 3.07Å; H383-R819 PolarHBondContact CD2-NH1 3.14Å; H383-R819 VanDerWaalsContact CD2-NH1 3.29Å; H383-R819 PolarHBondContact CE1-NH2 3.25Å; H383-R819 VanDerWaalsContact CE1-NH2 3.32Å; H383-R819 VanDerWaalsContact NE2-CZ 3.35Å; H383-R819 PolarHBondContact NE2-NH1 3.08Å; H383-R819 VanDerWaalsContact NE2-NH1 3.16Å; H383-R819 PolarHBondContact NE2-NH2 2.73Å; H383-R819 VanDerWaalsContact NE2-NH2 3.16Å
384	W	91.3	Very high	94.2	Very high	18 Å²	18	21.9 Å²	21.9	7%	0.068	13%	0.129	C	C	.	.			trans	63.3	18	177.9	-42.7	-24.1	0	0	0	115.4	A379 H380 P381 N447 K448 K449 W866 R882	A379-W384 HydrophobicContact CB-CB 4.4Å; H380-W384 WeakPolarHBondContact O-CA 3.36Å; H380-W384 PolarHBondContact O-N 3.46Å; P381-W384 PolarHBondContact O-NE1 3.16Å; P381-W384 VanDerWaalsContact O-NE1 3.16Å; W384-N447 WeakPolarHBondContact CH2-O 3.47Å; W384-K448 WeakPolarHBondContact CZ3-O 3.45Å; W384-K449 HydrophobicContact CD2-CB 4.4Å; W384-K449 HydrophobicContact CG-CB 4.46Å; W384-K449 HydrophobicContact CG-CG 4.23Å; W384-K449 HydrophobicContact CZ2-CB 4.36Å; W384-W866 HydrophobicContact CB-CH2 3.81Å; W384-W866 HydrophobicContact CB-CZ2 4.43Å; W384-W866 HydrophobicContact CE3-CZ2 4.31Å; W384-W866 WeakPolarHBondContact O-CH2 3.38Å; W384-W866 WeakPolarHBondContact O-CZ3 3.32Å; W384-R882 HydrophobicContact CZ3-CG 4.46Å
385	D	92.3	Very high	94.2	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	13%	0.132	C	C	.	.			trans	-64.9	145.9	166.6	59.3	-71.2	0	0	0	111.3	R358 H380 H383 R877 L878	R358-D385 IonicContact CZ-OD1 2.72Å; R358-D385 IonicContact CZ-OD2 3.83Å; R358-D385 IonicContact NE-OD1 3.79Å; R358-D385 PolarHBondContact NE-OD1 3.39Å; R358-D385 VanDerWaalsContact NE-OD1 3.1Å; R358-D385 IonicContact NE-OD2 3.44Å; R358-D385 PolarHBondContact NE-OD2 3.29Å; R358-D385 IonicContact NH2-OD1 3.35Å; R358-D385 IonicContact NH2-OD2 3.1Å; R358-D385 PolarHBondContact NH2-OD2 3.15Å; H380-D385 VanDerWaalsContact CB-OD1 3.27Å; H380-D385 WeakPolarHBondContact CB-OD1 3.2Å; H380-D385 IonicContact CG-OD1 3.44Å; H380-D385 PolarHBondContact N-O 2.96Å; H380-D385 IonicContact ND1-OD1 3.73Å; H380-D385 PolarHBondContact ND1-OD1 3.06Å; H383-D385 VanDerWaalsContact CB-OD1 3.32Å; H383-D385 WeakPolarHBondContact CB-OD1 3.47Å; H383-D385 PolarHBondContact O-N 3.07Å; D385-R877 IonicContact OD2-NH2 2.62Å; D385-R877 PolarHBondContact OD2-NH2 3.36Å; D385-L878 WeakPolarHBondContact CA-O 3.32Å
386	M	95.4	Very high	94.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.8	-178.2	-69.6	172.1	-74.8	0	0	110.6	A379 L444 P450 P454 W866 L878	A379-M386 VanDerWaalsContact CA-CG 3.43Å; A379-M386 HydrophobicContact CB-CG 3.72Å; A379-M386 HydrophobicContact CB-SD 3.83Å; M386-L444 HydrophobicContact CE-CD2 3.83Å; M386-P450 HydrophobicContact CE-CB 4.48Å; M386-P450 HydrophobicContact CE-CG 3.91Å; M386-P450 HydrophobicContact SD-CB 4.43Å; M386-P450 HydrophobicContact SD-CG 4.4Å; M386-P454 HydrophobicContact CB-CG 4.41Å; M386-P454 HydrophobicContact SD-CG 3.89Å; M386-W866 HydrophobicContact CE-CE3 4.42Å; M386-W866 HydrophobicContact CE-CH2 3.73Å; M386-W866 HydrophobicContact CE-CZ3 3.49Å; M386-W866 VanDerWaalsContact CE-CZ3 3.49Å; M386-L878 HydrophobicContact CB-CB 4.28Å; M386-L878 HydrophobicContact CB-CD1 4.43Å; M386-L878 HydrophobicContact CE-CB 4.33Å; M386-L878 HydrophobicContact CE-CD1 4.05Å; M386-L878 PolarHBondContact N-O 3Å; M386-L878 VanDerWaalsContact N-O 3.14Å; M386-L878 PolarHBondContact O-N 2.99Å
387	F	97.1	Very high	94.3	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.013	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.2	172.6	-73.7	-99.4	0	0	0	110.3	F354 V356 L371 S376 M377 F813 L875 V876 R877	F354-F387 HydrophobicContact CD2-CD1 4.38Å; F354-F387 AromaticContact CD2-CE1 3.94Å; F354-F387 HydrophobicContact CD2-CE1 3.94Å; F354-F387 HydrophobicContact CD2-CE2 4.47Å; F354-F387 AromaticContact CD2-CZ 3.97Å; F354-F387 HydrophobicContact CD2-CZ 3.97Å; F354-F387 AromaticContact CE2-CD1 3.77Å; F354-F387 HydrophobicContact CE2-CD1 3.77Å; F354-F387 AromaticContact CE2-CD2 3.91Å; F354-F387 HydrophobicContact CE2-CD2 3.91Å; F354-F387 AromaticContact CE2-CE1 3.72Å; F354-F387 HydrophobicContact CE2-CE1 3.72Å; F354-F387 AromaticContact CE2-CE2 3.88Å; F354-F387 HydrophobicContact CE2-CE2 3.88Å; F354-F387 AromaticContact CE2-CG 3.84Å; F354-F387 HydrophobicContact CE2-CG 3.84Å; F354-F387 AromaticContact CE2-CZ 3.76Å; F354-F387 HydrophobicContact CE2-CZ 3.76Å; F354-F387 HydrophobicContact CZ-CB 4.33Å; F354-F387 HydrophobicContact CZ-CD1 4.05Å; F354-F387 HydrophobicContact CZ-CD2 4.45Å; F354-F387 HydrophobicContact CZ-CE1 4.42Å; F354-F387 HydrophobicContact CZ-CG 4.04Å; V356-F387 HydrophobicContact CG2-CE2 3.67Å; V356-F387 HydrophobicContact CG2-CZ 3.75Å; L371-F387 HydrophobicContact CD1-CB 3.85Å; S376-F387 CarbonylContact C-O 3.21Å; S376-F387 VanDerWaalsContact CA-O 3.27Å; S376-F387 WeakPolarHBondContact CA-O 3.46Å; S376-F387 WeakPolarHBondContact CB-O 3.41Å; M377-F387 HydrophobicContact CB-CB 4.48Å; M377-F387 HydrophobicContact CG-CB 4.16Å; M377-F387 PolarHBondContact N-O 2.85Å; M377-F387 HydrophobicContact SD-CB 4.03Å; M377-F387 HydrophobicContact SD-CD2 3.96Å; M377-F387 HydrophobicContact SD-CG 4.3Å; F387-F813 AromaticContact CE1-CD2 3.87Å; F387-F813 HydrophobicContact CE1-CD2 3.87Å; F387-F813 HydrophobicContact CE1-CE1 4.38Å; F387-F813 AromaticContact CE1-CE2 3.62Å; F387-F813 HydrophobicContact CE1-CE2 3.62Å; F387-F813 HydrophobicContact CE1-CG 4.37Å; F387-F813 AromaticContact CE1-CZ 3.9Å; F387-F813 HydrophobicContact CE1-CZ 3.9Å; F387-F813 AromaticContact CZ-CD2 3.78Å; F387-F813 HydrophobicContact CZ-CD2 3.78Å; F387-F813 HydrophobicContact CZ-CE2 4.04Å; F387-F813 HydrophobicContact CZ-CG 4.09Å; F387-L875 HydrophobicContact CD1-CD2 4.41Å; F387-V876 WeakPolarHBondContact CA-O 3.46Å; F387-R877 HydrophobicContact CD1-CB 4.33Å; F387-R877 HydrophobicContact CD1-CG 4.12Å; F387-R877 HydrophobicContact CD2-CG 4.47Å; F387-R877 HydrophobicContact CE1-CB 4.26Å; F387-R877 HydrophobicContact CE1-CG 3.89Å; F387-R877 HydrophobicContact CE2-CG 4.23Å; F387-R877 VanDerWaalsContact CE2-NE 3.28Å; F387-R877 HydrophobicContact CG-CG 4.42Å; F387-R877 HydrophobicContact CZ-CG 3.96Å; F387-R877 VanDerWaalsContact CZ-CZ 3.48Å
388	L	97.8	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.4	164.5	62.3	90.5	0	0	0	109.6	E375 L414 W439 P454 V876	E375-L388 WeakPolarHBondContact O-CA 3.22Å; L388-L414 HydrophobicContact CD1-CD2 4.22Å; L388-W439 HydrophobicContact CB-CE3 4.13Å; L388-W439 HydrophobicContact CB-CH2 3.82Å; L388-W439 HydrophobicContact CB-CZ3 3.62Å; L388-W439 HydrophobicContact CD1-CD2 3.82Å; L388-W439 HydrophobicContact CD1-CE3 3.99Å; L388-W439 HydrophobicContact CD1-CG 4.45Å; L388-W439 HydrophobicContact CD1-CH2 3.86Å; L388-W439 HydrophobicContact CD1-CZ2 3.7Å; L388-W439 HydrophobicContact CD1-CZ3 4.02Å; L388-W439 HydrophobicContact CD2-CD2 4.06Å; L388-W439 HydrophobicContact CD2-CE3 3.72Å; L388-W439 HydrophobicContact CD2-CZ3 4.11Å; L388-W439 HydrophobicContact CG-CD2 4.44Å; L388-W439 HydrophobicContact CG-CE3 4.16Å; L388-W439 HydrophobicContact CG-CH2 4.34Å; L388-W439 HydrophobicContact CG-CZ3 4.12Å; L388-P454 HydrophobicContact CD2-CB 3.68Å; L388-P454 HydrophobicContact CD2-CG 4.17Å; L388-V876 HydrophobicContact CD1-CB 3.51Å; L388-V876 HydrophobicContact CD1-CG1 4.04Å; L388-V876 HydrophobicContact CD1-CG2 3.75Å; L388-V876 HydrophobicContact CG-CB 3.84Å; L388-V876 HydrophobicContact CG-CG1 4.23Å; L388-V876 PolarHBondContact N-O 3.38Å; L388-V876 PolarHBondContact O-N 2.82Å
389	F	98.3	Very high	94.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.6	-176.7	179.6	-128.7	0	0	0	112.3	E348 E350 S351 L371 S372 F374 E375 M420 T873 G874 L875	E348-F389 HydrophobicContact CB-CZ 4.14Å; E348-F389 HydrophobicContact CG-CZ 4.3Å; E350-F389 WeakPolarHBondContact O-CZ 3.03Å; S351-F389 VanDerWaalsContact N-CE1 3.34Å; L371-F389 HydrophobicContact CB-CB 3.77Å; L371-F389 HydrophobicContact CD1-CB 4.37Å; L371-F389 VanDerWaalsContact O-CD1 3.28Å; L371-F389 WeakPolarHBondContact O-CD1 3.3Å; S372-F389 WeakPolarHBondContact O-CD1 3.31Å; F374-F389 WeakPolarHBondContact CA-O 3.33Å; F374-F389 PolarHBondContact N-O 3.23Å; E375-F389 PolarHBondContact O-N 2.77Å; F389-M420 HydrophobicContact CE2-CE 4.07Å; F389-M420 HydrophobicContact CZ-CE 4.12Å; F389-T873 WeakPolarHBondContact CE2-O 3.49Å; F389-G874 WeakPolarHBondContact CD2-O 2.79Å; F389-L875 HydrophobicContact CB-CD2 4.37Å; F389-L875 HydrophobicContact CD2-CD2 4.36Å
390	A	97.4	Very high	94.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.			trans	-82	-12.2	-176.4	0	0	0	0	0	114.3	P346 V394 L414 Q437 G874 V876	P346-A390 WeakPolarHBondContact CG-O 3.48Å; A390-V394 HydrophobicContact CB-CG2 3.66Å; A390-L414 HydrophobicContact CB-CD1 3.79Å; A390-Q437 PolarHBondContact O-NE2 2.78Å; A390-G874 PolarHBondContact N-O 2.93Å; A390-V876 HydrophobicContact CB-CG2 4.19Å
391	G	96.2	Very high	95.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	86.7	-2.1	179	0	0	0	0	0	116.7	P346 E348	P346-G391 WeakPolarHBondContact CB-O 3.24Å; E348-G391 WeakPolarHBondContact CB-O 3.49Å; E348-G391 PolarHBondContact N-O 2.93Å
392	G	96.3	Very high	95.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-171.1	171.7	-178.5	0	0	0	0	0	112.8	V394 C416 G874	G392-V394 PolarHBondContact O-N 2.76Å; G392-C416 VanDerWaalsContact O-CB 3.29Å; G392-C416 WeakPolarHBondContact O-CB 3.25Å; G392-G874 WeakPolarHBondContact O-CA 3.43Å
393	P	97.2	Very high	95.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.013	6%	0.055	C	C	.	.			trans	-62.2	119.6	-175.3	-22.1	33.3	0	0	0	112.5	W395 C416 H417 G419 M420 Y853	P393-W395 PolarHBondContact O-N 2.81Å; P393-C416 CarbonylContact O-C 3.57Å; P393-C416 WeakPolarHBondContact O-CA 3.31Å; P393-C416 WeakPolarHBondContact O-CB 3.18Å; P393-H417 PolarHBondContact O-N 2.82Å; P393-G419 VanDerWaalsContact CD-O 3.26Å; P393-G419 WeakPolarHBondContact CD-O 3.29Å; P393-M420 HydrophobicContact CG-SD 3.85Å; P393-Y853 HydrophobicContact CB-CE2 4.3Å
394	V	98	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.7	-173.3	177.5	0	0	0	0	110.9	A390 G392 L397 L414 C416 A870 G871 V876	A390-V394 HydrophobicContact CB-CG2 3.66Å; G392-V394 PolarHBondContact O-N 2.76Å; V394-L397 HydrophobicContact CG1-CB 4.48Å; V394-L414 HydrophobicContact CG1-CB 4.47Å; V394-L414 HydrophobicContact CG2-CD1 4.44Å; V394-C416 HydrophobicContact CG2-CB 4Å; V394-A870 HydrophobicContact CB-CB 3.66Å; V394-A870 HydrophobicContact CG1-CB 3.68Å; V394-A870 HydrophobicContact CG2-CB 4.17Å; V394-G871 PolarHBondContact N-O 3.02Å; V394-V876 HydrophobicContact CG2-CG2 3.98Å
395	W	95.9	Very high	95.9	Very high	53 Å²	53	10.8 Å²	10.8	20%	0.201	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-27.3	179.2	-75.4	94.1	0	0	0	113.5	P393 A415 H417 W468 Y853 K854	P393-W395 PolarHBondContact O-N 2.81Å; W395-A415 PolarHBondContact N-O 2.93Å; W395-H417 AromaticContact CD1-CD2 3.66Å; W395-H417 AromaticContact CD1-CE1 3.59Å; W395-H417 AromaticContact CD1-CG 3.9Å; W395-H417 AromaticContact CD1-ND1 3.86Å; W395-H417 AromaticContact CD1-NE2 3.46Å; W395-H417 AromaticContact NE1-CE1 3.6Å; W395-H417 AromaticContact NE1-ND1 3.74Å; W395-H417 AromaticContact NE1-NE2 3.96Å; W395-W468 HydrophobicContact CE3-CZ3 4.19Å; W395-W468 HydrophobicContact CZ3-CZ3 4.47Å; W395-Y853 AromaticContact CD2-CD2 3.86Å; W395-Y853 HydrophobicContact CD2-CD2 3.86Å; W395-Y853 HydrophobicContact CD2-CE2 4.44Å; W395-Y853 HydrophobicContact CD2-CG 4.19Å; W395-Y853 AromaticContact CE2-CD2 3.54Å; W395-Y853 AromaticContact CE2-CE2 3.66Å; W395-Y853 HydrophobicContact CE3-CD2 4.26Å; W395-Y853 HydrophobicContact CE3-CG 4.11Å; W395-Y853 HydrophobicContact CG-CD2 4.39Å; W395-Y853 AromaticContact CH2-CD1 3.89Å; W395-Y853 HydrophobicContact CH2-CD1 3.89Å; W395-Y853 HydrophobicContact CH2-CD2 4.09Å; W395-Y853 AromaticContact CH2-CE1 3.97Å; W395-Y853 HydrophobicContact CH2-CE1 3.97Å; W395-Y853 HydrophobicContact CH2-CE2 4.15Å; W395-Y853 AromaticContact CH2-CG 3.96Å; W395-Y853 HydrophobicContact CH2-CG 3.96Å; W395-Y853 HydrophobicContact CZ2-CD1 4.23Å; W395-Y853 AromaticContact CZ2-CD2 3.68Å; W395-Y853 HydrophobicContact CZ2-CD2 3.68Å; W395-Y853 HydrophobicContact CZ2-CE1 4.09Å; W395-Y853 AromaticContact CZ2-CE2 3.5Å; W395-Y853 HydrophobicContact CZ2-CE2 3.5Å; W395-Y853 VanDerWaalsContact CZ2-CE2 3.5Å; W395-Y853 HydrophobicContact CZ2-CG 4.05Å; W395-Y853 AromaticContact CZ2-CZ 3.72Å; W395-Y853 HydrophobicContact CZ3-CD1 4.16Å; W395-Y853 HydrophobicContact CZ3-CD2 4.36Å; W395-Y853 AromaticContact CZ3-CG 3.99Å; W395-Y853 HydrophobicContact CZ3-CG 3.99Å; W395-Y853 AromaticContact NE1-CD2 3.89Å; W395-Y853 AromaticContact NE1-CE2 3.89Å; W395-K854 WeakPolarHBondContact O-CD 3.31Å; W395-K854 WeakPolarHBondContact O-CE 3.43Å
396	A	97.4	Very high	95.7	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.008	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.4	178.8	0	0	0	0	0	111.7	L414 A415 I467 L470	A396-L414 CarbonylContact O-C 3.56Å; A396-L414 WeakPolarHBondContact O-CA 3.09Å; A396-L414 WeakPolarHBondContact O-CB 3.49Å; A396-A415 HydrophobicContact CB-CB 4.35Å; A396-A415 PolarHBondContact N-O 3.02Å; A396-A415 PolarHBondContact O-N 2.94Å; A396-I467 HydrophobicContact CB-CG2 4.31Å; A396-L470 HydrophobicContact CB-CB 4.38Å; A396-L470 HydrophobicContact CB-CD1 4.05Å; A396-L470 HydrophobicContact CB-CG 3.82Å
397	L	98.1	Very high	95.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	124.5	179.1	-172.8	157.6	0	0	0	107.4	V394 I412 A413 L414 K854 R856 A870 V876	V394-L397 HydrophobicContact CG1-CB 4.48Å; L397-I412 HydrophobicContact CD1-CG2 4.49Å; L397-I412 HydrophobicContact CD2-CG2 4.14Å; L397-I412 HydrophobicContact CG-CG2 3.85Å; L397-A413 WeakPolarHBondContact CA-O 3.4Å; L397-L414 HydrophobicContact CB-CB 4.4Å; L397-L414 HydrophobicContact CG-CB 4.39Å; L397-K854 HydrophobicContact CB-CB 4.27Å; L397-K854 HydrophobicContact CB-CG 4.06Å; L397-R856 HydrophobicContact CD2-CB 3.98Å; L397-R856 HydrophobicContact CD2-CG 4.13Å; L397-R856 VanDerWaalsContact O-CG 3.25Å; L397-R856 WeakPolarHBondContact O-CG 3.33Å; L397-A870 HydrophobicContact CD1-CB 4.18Å; L397-V876 HydrophobicContact CD1-CG1 3.86Å
398	E	98.2	Very high	94.8	Very high	20 Å²	20	14.8 Å²	14.8	9%	0.093	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	133.8	171.6	-64.2	-69.5	177.2	0	0	110.9	A413 L470 K471 W472 R856	E398-A413 PolarHBondContact N-O 2.87Å; E398-A413 PolarHBondContact O-N 3.03Å; E398-L470 HydrophobicContact CG-CB 4.16Å; E398-L470 WeakPolarHBondContact CG-O 3.28Å; E398-K471 HydrophobicContact CG-CD 4.36Å; E398-K471 IonicContact OE1-NZ 3.93Å; E398-K471 PolarHBondContact OE1-NZ 3.37Å; E398-K471 IonicContact OE2-NZ 2.74Å; E398-W472 PolarHBondContact O-NE1 2.84Å; E398-R856 IonicContact OE1-CZ 2.77Å; E398-R856 VanDerWaalsContact OE1-CZ 3.31Å; E398-R856 IonicContact OE1-NE 3.96Å; E398-R856 PolarHBondContact OE1-NE 2.94Å; E398-R856 IonicContact OE1-NH2 3.74Å; E398-R856 PolarHBondContact OE1-NH2 3.23Å; E398-R856 WeakPolarHBondContact OE2-CD 3.26Å; E398-R856 IonicContact OE2-NE 2.65Å; E398-R856 PolarHBondContact OE2-NE 3.01Å
399	W	98.2	Very high	94.5	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.019	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.1	173.6	-66.4	94	0	0	0	111.8	Q410 I412 C441 L444 W472 R856 F857 N858 P859 L878	W399-Q410 HydrophobicContact CE3-CB 4.5Å; W399-Q410 HydrophobicContact CZ3-CB 4.12Å; W399-I412 HydrophobicContact CD2-CD1 4.3Å; W399-I412 HydrophobicContact CD2-CG1 3.79Å; W399-I412 HydrophobicContact CE3-CD1 4.13Å; W399-I412 HydrophobicContact CE3-CG1 3.47Å; W399-I412 VanDerWaalsContact CE3-CG1 3.47Å; W399-I412 HydrophobicContact CH2-CD1 3.7Å; W399-I412 HydrophobicContact CH2-CG1 3.98Å; W399-I412 HydrophobicContact CZ2-CD1 3.88Å; W399-I412 HydrophobicContact CZ2-CG1 4.27Å; W399-I412 HydrophobicContact CZ3-CD1 3.83Å; W399-I412 HydrophobicContact CZ3-CG1 3.56Å; W399-C441 HydrophobicContact CZ3-CB 4.43Å; W399-L444 HydrophobicContact CH2-CD1 3.46Å; W399-L444 VanDerWaalsContact CH2-CD1 3.46Å; W399-L444 HydrophobicContact CZ3-CD1 3.6Å; W399-W472 PolarHBondContact O-NE1 2.67Å; W399-R856 PolarHBondContact NE1-O 3.1Å; W399-R856 VanDerWaalsContact NE1-O 3.14Å; W399-F857 VanDerWaalsContact CD1-O 3.25Å; W399-N858 HydrophobicContact CD2-CB 3.84Å; W399-N858 HydrophobicContact CE3-CB 4.33Å; W399-N858 VanDerWaalsContact CE3-ND2 3.27Å; W399-N858 HydrophobicContact CG-CB 4.03Å; W399-N858 HydrophobicContact CZ2-CB 4.3Å; W399-P859 VanDerWaalsContact CB-CD 3.49Å; W399-P859 HydrophobicContact CB-CG 4.36Å; W399-L878 HydrophobicContact CH2-CD2 4.3Å; W399-L878 HydrophobicContact CZ2-CD2 4.25Å
400	C	97.6	Very high	94.4	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.041	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-69.8	126.4	173.1	-173.4	0	0	0	0	110.7	Y411 W472 N860	C400-Y411 PolarHBondContact N-O 3.08Å; C400-W472 HydrophobicContact CB-CD2 4.3Å; C400-W472 HydrophobicContact CB-CH2 3.98Å; C400-W472 HydrophobicContact CB-CZ2 3.6Å; C400-N860 PolarHBondContact O-ND2 2.91Å
401	P	96.2	Very high	94.4	Very high	26 Å²	26	17.3 Å²	17.3	17%	0.169	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-71.3	140.3	173.8	28.7	-32.5	0	0	0	111.2	W472 C473 N860	P401-W472 VanDerWaalsContact CD-CG 3.48Å; P401-W472 HydrophobicContact CG-CB 3.83Å; P401-W472 HydrophobicContact CG-CG 4.45Å; P401-C473 WeakPolarHBondContact CG-O 3.4Å; P401-N860 VanDerWaalsContact CA-OD1 3.29Å; P401-N860 WeakPolarHBondContact CA-OD1 3.22Å
402	S	93.9	Very high	94.5	Very high	15 Å²	15	17.3 Å²	17.3	11%	0.105	10%	0.102	C	C	.	.			trans	-123.1	156.1	170.1	68.2	0	0	0	0	110	N860	S402-N860 PolarHBondContact N-OD1 2.9Å; S402-N860 VanDerWaalsContact OG-CG 3.27Å
403	P	92.3	Very high	94.6	Very high	45 Å²	45	17.3 Å²	17.3	29%	0.292	10%	0.102	S	C	.	.			trans	-57.8	148.3	172.9	-21.7	32.9	0	0	0	112	G405 A406 W478 F900	P403-G405 PolarHBondContact O-N 3.09Å; P403-A406 HydrophobicContact CB-CB 4.32Å; P403-A406 WeakPolarHBondContact O-CB 3.45Å; P403-A406 PolarHBondContact O-N 2.92Å; P403-A406 VanDerWaalsContact O-N 3.11Å; P403-W478 VanDerWaalsContact CD-CD2 3.43Å; P403-W478 VanDerWaalsContact CD-CE3 3.42Å; P403-W478 HydrophobicContact CG-CD2 3.99Å; P403-W478 HydrophobicContact CG-CE3 3.43Å; P403-W478 VanDerWaalsContact CG-CE3 3.43Å; P403-W478 HydrophobicContact CG-CG 4.47Å; P403-W478 HydrophobicContact CG-CZ3 3.91Å; P403-F900 HydrophobicContact CB-CE2 4.07Å; P403-F900 HydrophobicContact CG-CE2 4.43Å
404	D	91.7	Very high	94.7	Very high	41 Å²	41	17.2 Å²	17.2	22%	0.219	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	136.1	177.3	-60	-41.9	0	0	0	110.3	R314 A406 M861	R314-D404 WeakPolarHBondContact CD-OD2 3.38Å; R314-D404 IonicContact CZ-OD1 2.75Å; R314-D404 IonicContact NH1-OD1 2.86Å; R314-D404 PolarHBondContact NH1-OD1 3.02Å; R314-D404 IonicContact NH1-OD2 3.31Å; D404-A406 VanDerWaalsContact C-N 3.27Å; D404-A406 PolarHBondContact O-N 3.03Å; D404-M861 HydrophobicContact CB-CB 4.16Å; D404-M861 HydrophobicContact CB-SD 4.16Å
405	G	87.4	Confident	94.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-7.4	-173.1	0	0	0	0	0	116.1	P403 Q897	P403-G405 PolarHBondContact O-N 3.09Å; G405-Q897 WeakPolarHBondContact O-CA 3.22Å
406	A	89.3	Confident	94.6	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	10%	0.095	C	C	.	.			trans	-65.3	133.1	178.8	0	0	0	0	0	112.1	P403 D404 A408 W478 F900	P403-A406 HydrophobicContact CB-CB 4.32Å; P403-A406 WeakPolarHBondContact O-CB 3.45Å; P403-A406 PolarHBondContact O-N 2.92Å; P403-A406 VanDerWaalsContact O-N 3.11Å; D404-A406 VanDerWaalsContact C-N 3.27Å; D404-A406 PolarHBondContact O-N 3.03Å; A406-A408 HydrophobicContact CB-CB 4.32Å; A406-A408 PolarHBondContact O-N 2.89Å; A406-W478 HydrophobicContact CB-CH2 4.22Å; A406-W478 HydrophobicContact CB-CZ2 4.48Å; A406-F900 HydrophobicContact CB-CD2 4.01Å; A406-F900 HydrophobicContact CB-CE1 4.31Å; A406-F900 HydrophobicContact CB-CE2 3.49Å; A406-F900 VanDerWaalsContact CB-CE2 3.49Å; A406-F900 HydrophobicContact CB-CZ 3.68Å
407	P	83.2	Confident	94.5	Very high	78 Å²	78	15.8 Å²	15.8	51%	0.506	10%	0.098	S	C	.	.			trans	-82.4	42	176.6	35.6	-36.6	0	0	0	112.3	K443 F900	P407-K443 VanDerWaalsContact O-CE 3.26Å; P407-K443 WeakPolarHBondContact O-CE 3.36Å; P407-K443 PolarHBondContact O-NZ 3.2Å; P407-F900 HydrophobicContact CG-CE1 4.49Å
408	A	89.1	Confident	94.3	Very high	15 Å²	15	18.5 Å²	18.5	12%	0.124	11%	0.108	C	C	.	.			trans	-83.4	144.3	-170.7	0	0	0	0	0	113.1	A406 Q410 W478	A406-A408 HydrophobicContact CB-CB 4.32Å; A406-A408 PolarHBondContact O-N 2.89Å; A408-Q410 PolarHBondContact O-NE2 3.26Å; A408-W478 HydrophobicContact CB-CZ2 3.85Å
409	S	93.1	Very high	94.1	Very high	35 Å²	35	17.8 Å²	17.8	25%	0.245	11%	0.106	C	C	.	.			trans	-58.6	147.2	163.9	-57.7	0	0	0	0	110.8	Y411 D440	S409-Y411 WeakPolarHBondContact O-CD2 3.16Å; S409-D440 WeakPolarHBondContact CB-OD1 3.25Å
410	Q	95.7	Very high	93.9	Very high	3 Å²	3	18 Å²	18	1%	0.014	11%	0.107	C	C	.	.			trans	-103	108.9	-171.3	-62	-61.9	-62.1	0	0	110	W399 A408 C441 G442 L444 N858 N860	W399-Q410 HydrophobicContact CE3-CB 4.5Å; W399-Q410 HydrophobicContact CZ3-CB 4.12Å; A408-Q410 PolarHBondContact O-NE2 3.26Å; Q410-C441 VanDerWaalsContact O-CB 3.3Å; Q410-C441 WeakPolarHBondContact O-CB 3.42Å; Q410-C441 PolarHBondContact O-N 3.49Å; Q410-G442 WeakPolarHBondContact CB-O 3.06Å; Q410-G442 PolarHBondContact N-O 3.46Å; Q410-L444 HydrophobicContact CB-CB 4.34Å; Q410-L444 HydrophobicContact CB-CD1 4Å; Q410-L444 HydrophobicContact CB-CG 4.04Å; Q410-L444 HydrophobicContact CG-CB 3.98Å; Q410-L444 HydrophobicContact CG-CD1 4.5Å; Q410-L444 HydrophobicContact CG-CG 4.24Å; Q410-N858 PolarHBondContact OE1-ND2 3.33Å; Q410-N858 PolarHBondContact OE1-OD1 2.89Å; Q410-N860 PolarHBondContact OE1-ND2 2.89Å
411	Y	97.6	Very high	93.7	Very high	14 Å²	14	20.6 Å²	20.6	6%	0.055	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144	-176.3	-59.3	-83.8	0	0	0	112.5	C400 S409 L438 W439 D440 V457 L493 P513	C400-Y411 PolarHBondContact N-O 3.08Å; S409-Y411 WeakPolarHBondContact O-CD2 3.16Å; Y411-L438 HydrophobicContact CD1-CG 4.47Å; Y411-W439 CarbonylContact C-O 3.45Å; Y411-W439 VanDerWaalsContact CA-O 3.24Å; Y411-W439 WeakPolarHBondContact CA-O 3.49Å; Y411-D440 HydrophobicContact CD1-CB 3.85Å; Y411-D440 HydrophobicContact CE1-CB 3.61Å; Y411-V457 HydrophobicContact CE1-CG2 4.41Å; Y411-L493 HydrophobicContact CD2-CD1 3.64Å; Y411-L493 HydrophobicContact CD2-CD2 4.1Å; Y411-L493 HydrophobicContact CE2-CD1 3.74Å; Y411-L493 HydrophobicContact CE2-CD2 4.41Å; Y411-L493 HydrophobicContact CG-CD2 4.23Å; Y411-P513 HydrophobicContact CE1-CG 3.63Å
412	I	98.1	Very high	93.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.1	168.5	-61.4	176.6	0	0	0	108.4	L397 W399 L414 W439 L878	L397-I412 HydrophobicContact CD1-CG2 4.49Å; L397-I412 HydrophobicContact CD2-CG2 4.14Å; L397-I412 HydrophobicContact CG-CG2 3.85Å; W399-I412 HydrophobicContact CD2-CD1 4.3Å; W399-I412 HydrophobicContact CD2-CG1 3.79Å; W399-I412 HydrophobicContact CE3-CD1 4.13Å; W399-I412 HydrophobicContact CE3-CG1 3.47Å; W399-I412 VanDerWaalsContact CE3-CG1 3.47Å; W399-I412 HydrophobicContact CH2-CD1 3.7Å; W399-I412 HydrophobicContact CH2-CG1 3.98Å; W399-I412 HydrophobicContact CZ2-CD1 3.88Å; W399-I412 HydrophobicContact CZ2-CG1 4.27Å; W399-I412 HydrophobicContact CZ3-CD1 3.83Å; W399-I412 HydrophobicContact CZ3-CG1 3.56Å; I412-L414 HydrophobicContact CG2-CB 4.2Å; I412-L414 HydrophobicContact CG2-CD2 4.14Å; I412-W439 PolarHBondContact N-O 3.25Å; I412-W439 PolarHBondContact O-N 3.13Å; I412-L878 HydrophobicContact CD1-CD2 3.59Å
413	A	98.6	Very high	93.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.9	159.5	0	0	0	0	0	108.4	L397 E398 V436 Q437 L438 L470 W472 L496	L397-A413 WeakPolarHBondContact CA-O 3.4Å; E398-A413 PolarHBondContact N-O 2.87Å; E398-A413 PolarHBondContact O-N 3.03Å; A413-V436 HydrophobicContact CB-CG1 4.38Å; A413-Q437 WeakPolarHBondContact CA-O 3.09Å; A413-L438 HydrophobicContact CB-CD1 4.4Å; A413-L470 HydrophobicContact CB-CD1 4.08Å; A413-L470 WeakPolarHBondContact O-CD1 3.43Å; A413-W472 HydrophobicContact CB-CZ2 3.72Å; A413-L496 HydrophobicContact CB-CD1 4.38Å; A413-L496 HydrophobicContact CB-CD2 3.79Å
414	L	98.1	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.4	176.1	67.8	86.6	0	0	0	111.7	L388 A390 V394 A396 L397 I412 Q437 W439 V876	L388-L414 HydrophobicContact CD1-CD2 4.22Å; A390-L414 HydrophobicContact CB-CD1 3.79Å; V394-L414 HydrophobicContact CG1-CB 4.47Å; V394-L414 HydrophobicContact CG2-CD1 4.44Å; A396-L414 CarbonylContact O-C 3.56Å; A396-L414 WeakPolarHBondContact O-CA 3.09Å; A396-L414 WeakPolarHBondContact O-CB 3.49Å; L397-L414 HydrophobicContact CB-CB 4.4Å; L397-L414 HydrophobicContact CG-CB 4.39Å; I412-L414 HydrophobicContact CG2-CB 4.2Å; I412-L414 HydrophobicContact CG2-CD2 4.14Å; L414-Q437 HydrophobicContact CD1-CB 3.95Å; L414-Q437 HydrophobicContact CD1-CG 4.21Å; L414-Q437 HydrophobicContact CG-CB 4.18Å; L414-Q437 PolarHBondContact N-O 3.11Å; L414-Q437 PolarHBondContact O-N 3.04Å; L414-W439 HydrophobicContact CD2-CG 4.44Å; L414-V876 HydrophobicContact CD2-CG1 4.43Å; L414-V876 HydrophobicContact CD2-CG2 3.98Å
415	A	97.8	Very high	93	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.5	174.5	0	0	0	0	0	110.8	W395 A396 I467 L470	W395-A415 PolarHBondContact N-O 2.93Å; A396-A415 HydrophobicContact CB-CB 4.35Å; A396-A415 PolarHBondContact N-O 3.02Å; A396-A415 PolarHBondContact O-N 2.94Å; A415-I467 HydrophobicContact CB-CB 3.74Å; A415-I467 HydrophobicContact CB-CD1 3.65Å; A415-I467 HydrophobicContact CB-CG1 4.3Å; A415-I467 HydrophobicContact CB-CG2 3.7Å; A415-L470 HydrophobicContact CB-CD1 4.35Å
416	C	95.8	Very high	93	Very high	10 Å²	10	37.1 Å²	37.1	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.7	-179.9	57.6	0	0	0	0	111.7	P346 G392 P393 V394 Q437	P346-C416 WeakPolarHBondContact CG-SG 3.38Å; G392-C416 VanDerWaalsContact O-CB 3.29Å; G392-C416 WeakPolarHBondContact O-CB 3.25Å; P393-C416 CarbonylContact O-C 3.57Å; P393-C416 WeakPolarHBondContact O-CA 3.31Å; P393-C416 WeakPolarHBondContact O-CB 3.18Å; V394-C416 HydrophobicContact CG2-CB 4Å; C416-Q437 PolarHBondContact SG-NE2 3.48Å
417	H	94.5	Very high	92.8	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.065	22%	0.217	C	C	.	.			trans	-73.3	166.3	168.2	-66.4	-173.7	0	0	0	110.4	P393 W395 H424 F466	P393-H417 PolarHBondContact O-N 2.82Å; W395-H417 AromaticContact CD1-CD2 3.66Å; W395-H417 AromaticContact CD1-CE1 3.59Å; W395-H417 AromaticContact CD1-CG 3.9Å; W395-H417 AromaticContact CD1-ND1 3.86Å; W395-H417 AromaticContact CD1-NE2 3.46Å; W395-H417 AromaticContact NE1-CE1 3.6Å; W395-H417 AromaticContact NE1-ND1 3.74Å; W395-H417 AromaticContact NE1-NE2 3.96Å; H417-H424 AromaticContact CE1-ND1 3.94Å; H417-H424 AromaticContact ND1-CE1 3.83Å; H417-H424 AromaticContact ND1-ND1 3.9Å; H417-F466 AromaticContact CE1-CD2 3.97Å; H417-F466 AromaticContact NE2-CD2 3.43Å; H417-F466 WeakPolarHBondContact NE2-CD2 3.12Å; H417-F466 AromaticContact NE2-CG 3.91Å
418	R	93.7	Very high	93.2	Very high	58 Å²	58	42.3 Å²	42.3	22%	0.219	21%	0.213	C	C	.	.	S	Bend	trans	-85	-53	-172.6	-74.8	-173	65.1	-130.7	5.3	111.4	E342 K343 L345 Q347 D422 P433	E342-R418 PolarHBondContact O-NH2 2.92Å; K343-R418 PolarHBondContact O-NE 2.74Å; K343-R418 PolarHBondContact O-NH2 3.26Å; L345-R418 PolarHBondContact O-NE 3.02Å; Q347-R418 WeakPolarHBondContact CB-O 3.43Å; Q347-R418 HydrophobicContact CG-CB 4.42Å; Q347-R418 WeakPolarHBondContact CG-O 3.43Å; Q347-R418 PolarHBondContact N-O 3.01Å; R418-D422 PolarHBondContact N-OD2 3.15Å; R418-P433 WeakPolarHBondContact CD-O 3.48Å
419	G	94	Very high	93.4	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	-88.4	161.8	166.8	0	0	0	0	0	112.2	P393 D422	P393-G419 VanDerWaalsContact CD-O 3.26Å; P393-G419 WeakPolarHBondContact CD-O 3.29Å; G419-D422 WeakPolarHBondContact CA-OD1 2.99Å; G419-D422 VanDerWaalsContact N-CG 3.28Å; G419-D422 PolarHBondContact N-OD1 2.96Å; G419-D422 PolarHBondContact N-OD2 2.92Å
420	M	94.8	Very high	93.4	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.044	22%	0.215	C	C	.	.	S	Bend	trans	-77.7	-25.5	174.6	-67.7	-74.2	-175.8	0	0	112.6	E348 F389 P393 Y802 Q872	E348-M420 HydrophobicContact CB-CE 3.6Å; E348-M420 HydrophobicContact CB-CG 4.29Å; E348-M420 HydrophobicContact CG-CE 3.85Å; E348-M420 HydrophobicContact CG-CG 4.41Å; F389-M420 HydrophobicContact CE2-CE 4.07Å; F389-M420 HydrophobicContact CZ-CE 4.12Å; P393-M420 HydrophobicContact CG-SD 3.85Å; M420-Y802 HydrophobicContact CB-CD1 3.81Å; M420-Y802 HydrophobicContact CB-CD2 3.8Å; M420-Y802 HydrophobicContact CB-CE1 4.41Å; M420-Y802 HydrophobicContact CB-CE2 4.38Å; M420-Y802 HydrophobicContact CB-CG 3.46Å; M420-Y802 VanDerWaalsContact CB-CG 3.46Å; M420-Y802 HydrophobicContact CE-CE1 4.25Å; M420-Y802 HydrophobicContact CE-CE2 4.18Å; M420-Y802 HydrophobicContact CG-CD1 3.66Å; M420-Y802 HydrophobicContact CG-CD2 3.92Å; M420-Y802 HydrophobicContact CG-CE1 3.76Å; M420-Y802 HydrophobicContact CG-CE2 4Å; M420-Y802 HydrophobicContact CG-CG 3.74Å; M420-Y802 HydrophobicContact SD-CD2 4.03Å; M420-Y802 HydrophobicContact SD-CE1 4.3Å; M420-Y802 HydrophobicContact SD-CE2 3.68Å; M420-Y802 HydrophobicContact SD-CG 4.46Å; M420-Q872 PolarHBondContact O-NE2 2.84Å; M420-Q872 VanDerWaalsContact SD-O 3.37Å
421	D	93.4	Very high	93.2	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	24%	0.238	S	C	.	.	S	Bend	trans	-106.7	14.9	-174.5	-57.1	-63.1	0	0	0	112.6	L423 T801 Y802 M847	D421-L423 PolarHBondContact O-N 3.38Å; D421-L423 VanDerWaalsContact O-N 3.15Å; D421-T801 WeakPolarHBondContact OD1-CA 3.18Å; D421-Y802 WeakPolarHBondContact OD1-CB 3.45Å; D421-Y802 PolarHBondContact OD1-N 2.76Å; D421-M847 WeakPolarHBondContact OD1-CE 3.02Å
422	D	90.9	Very high	92.8	Very high	55 Å²	55	50.4 Å²	50.4	29%	0.294	26%	0.255	S	S	.	.			trans	-69.8	104.6	-173.4	-67.2	-5.3	0	0	0	113.2	R418 G419 H424	R418-D422 PolarHBondContact N-OD2 3.15Å; G419-D422 WeakPolarHBondContact CA-OD1 2.99Å; G419-D422 VanDerWaalsContact N-CG 3.28Å; G419-D422 PolarHBondContact N-OD1 2.96Å; G419-D422 PolarHBondContact N-OD2 2.92Å; D422-H424 PolarHBondContact O-ND1 2.94Å
423	L	89.3	Confident	92.7	Very high	167 Å²	167	51.5 Å²	51.5	87%	0.874	26%	0.262	S	S	*	.			trans	-91.9	129.8	176.4	-60.9	-179.1	0	0	0	112.5	D421	D421-L423 PolarHBondContact O-N 3.38Å; D421-L423 VanDerWaalsContact O-N 3.15Å
424	H	89.8	Confident	92.4	Very high	44 Å²	44	51.6 Å²	51.6	20%	0.204	26%	0.263	C	S	.	.			trans	-128.8	132.2	-177.2	-58.3	95	0	0	0	111.7	H417 D422 V426 Y430 F466	H417-H424 AromaticContact CE1-ND1 3.94Å; H417-H424 AromaticContact ND1-CE1 3.83Å; H417-H424 AromaticContact ND1-ND1 3.9Å; D422-H424 PolarHBondContact O-ND1 2.94Å; H424-V426 PolarHBondContact O-N 3.37Å; H424-Y430 HydrophobicContact CB-CE2 4.2Å; H424-Y430 AromaticContact CD2-CD1 3.99Å; H424-Y430 AromaticContact CD2-CE1 3.86Å; H424-F466 HydrophobicContact CB-CE1 3.84Å; H424-F466 HydrophobicContact CB-CZ 3.69Å; H424-F466 AromaticContact CD2-CD1 3.51Å; H424-F466 AromaticContact CD2-CE1 3.12Å; H424-F466 WeakPolarHBondContact CD2-CE1 3.49Å; H424-F466 AromaticContact CD2-CZ 3.89Å; H424-F466 AromaticContact CE1-CD1 3.87Å; H424-F466 AromaticContact CG-CE1 3.45Å; H424-F466 VanDerWaalsContact CG-CE1 3.45Å; H424-F466 AromaticContact CG-CZ 3.73Å; H424-F466 AromaticContact NE2-CD1 3.38Å; H424-F466 WeakPolarHBondContact NE2-CD1 3.44Å; H424-F466 AromaticContact NE2-CE1 3.55Å
425	Y	89.9	Confident	92.4	Very high	155 Å²	155	51.8 Å²	51.8	61%	0.608	26%	0.264	S	S	*	.			trans	-79.3	119.1	176.9	-64.5	-72.2	0	0	0	110.8	N427 Q428 Y430 Q558	Y425-N427 WeakPolarHBondContact CB-OD1 3.5Å; Y425-N427 PolarHBondContact O-N 3.48Å; Y425-Q428 PolarHBondContact O-N 3.49Å; Y425-Y430 PolarHBondContact N-OH 3.45Å; Y425-Q558 PolarHBondContact O-NE2 2.66Å
426	V	85.5	Confident	92.4	Very high	55 Å²	55	52 Å²	52	33%	0.333	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.1	-176.1	-167.1	0	0	0	0	113	H424 Q558 L560 Y578	H424-V426 PolarHBondContact O-N 3.37Å; V426-Q558 PolarHBondContact O-NE2 2.91Å; V426-L560 HydrophobicContact CG1-CD1 4.05Å; V426-L560 HydrophobicContact CG1-CD2 4.42Å; V426-Y578 HydrophobicContact CB-CE2 4.33Å; V426-Y578 HydrophobicContact CG1-CD2 3.86Å; V426-Y578 HydrophobicContact CG1-CE2 3.85Å; V426-Y578 VanDerWaalsContact O-CD2 3.32Å; V426-Y578 WeakPolarHBondContact O-CD2 3.43Å
427	N	86.6	Confident	92.5	Very high	98 Å²	98	51.5 Å²	51.5	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.7	-179.3	71.8	-23.2	0	0	0	115.5	Y425 Y578	Y425-N427 WeakPolarHBondContact CB-OD1 3.5Å; Y425-N427 PolarHBondContact O-N 3.48Å; N427-Y578 HydrophobicContact CB-CE1 3.71Å; N427-Y578 HydrophobicContact CB-CE2 4.35Å; N427-Y578 WeakPolarHBondContact CB-OH 3.37Å
428	Q	91	Very high	92.7	Very high	91 Å²	91	51.1 Å²	51.1	43%	0.425	26%	0.26	S	S	.	.	S	Bend	trans	-107.5	156.1	177.1	-62.5	179.9	21	0	0	110.9	Y425 Y430 Q558	Y425-Q428 PolarHBondContact O-N 3.49Å; Q428-Y430 HydrophobicContact CB-CE2 3.83Å; Q428-Q558 VanDerWaalsContact O-CD 3.26Å; Q428-Q558 WeakPolarHBondContact O-CG 3.39Å; Q428-Q558 PolarHBondContact O-NE2 3.19Å
429	T	92.7	Very high	92.9	Very high	47 Å²	47	48.3 Å²	48.3	29%	0.288	25%	0.25	S	C	.	.			trans	-96.7	150.1	168.2	48.6	0	0	0	0	110.8	S501 E554	T429-S501 VanDerWaalsContact CA-O 3.29Å; T429-S501 WeakPolarHBondContact CA-O 3.41Å; T429-S501 WeakPolarHBondContact CB-O 3.45Å; T429-E554 HydrophobicContact CG2-CB 4.4Å; T429-E554 PolarHBondContact OG1-OE2 3.1Å
430	Y	93.1	Very high	93.1	Very high	30 Å²	30	49 Å²	49	12%	0.118	25%	0.252	C	S	.	.			trans	-132	138.3	-179	-62.2	-99.5	0	0	0	110.1	H424 Y425 Q428 K464 G465 F466 S501 S502	H424-Y430 HydrophobicContact CB-CE2 4.2Å; H424-Y430 AromaticContact CD2-CD1 3.99Å; H424-Y430 AromaticContact CD2-CE1 3.86Å; Y425-Y430 PolarHBondContact N-OH 3.45Å; Q428-Y430 HydrophobicContact CB-CE2 3.83Å; Y430-K464 CarbonylContact O-C 3.59Å; Y430-G465 VanDerWaalsContact O-CA 3.25Å; Y430-G465 WeakPolarHBondContact O-CA 3.33Å; Y430-G465 PolarHBondContact O-N 3.15Å; Y430-F466 HydrophobicContact CD1-CE1 4.36Å; Y430-F466 AromaticContact CD2-CE1 3.56Å; Y430-F466 HydrophobicContact CD2-CE1 3.56Å; Y430-F466 HydrophobicContact CD2-CZ 4.07Å; Y430-F466 HydrophobicContact CE2-CE1 4.17Å; Y430-F466 HydrophobicContact CE2-CZ 4.47Å; Y430-F466 HydrophobicContact CG-CD1 4.42Å; Y430-F466 AromaticContact CG-CE1 3.68Å; Y430-F466 HydrophobicContact CG-CE1 3.68Å; Y430-S501 PolarHBondContact N-O 2.84Å; Y430-S501 CarbonylContact O-C 3.55Å; Y430-S502 WeakPolarHBondContact O-CA 3.31Å; Y430-S502 WeakPolarHBondContact O-CB 3.4Å; Y430-S502 PolarHBondContact O-N 2.89Å; Y430-S502 VanDerWaalsContact O-N 3.07Å
431	S	91.3	Very high	93.1	Very high	70 Å²	70	48.5 Å²	48.5	49%	0.49	25%	0.25	S	C	.	.			trans	-120.2	21.9	-178	-63.9	0	0	0	0	112.6	D463	S431-D463 CarbonylContact O-C 3.53Å
432	E	90.9	Very high	93	Very high	90 Å²	90	45.9 Å²	45.9	42%	0.421	24%	0.237	S	C	.	.			trans	-66.6	164.5	-177.6	-69.2	-171.7	-143.8	0	0	114.3	G434 K464 G465	E432-G434 PolarHBondContact O-N 3.14Å; E432-K464 PolarHBondContact O-N 2.87Å; E432-G465 VanDerWaalsContact O-CA 3.28Å; E432-G465 WeakPolarHBondContact O-CA 3.33Å; E432-G465 PolarHBondContact O-N 2.86Å
433	P	94.2	Very high	93.1	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	126.6	171.7	-23.1	35.7	0	0	0	112	K343 Y344 R418 Q462	K343-P433 HydrophobicContact CD-CB 4.4Å; K343-P433 HydrophobicContact CD-CG 3.89Å; K343-P433 HydrophobicContact CG-CG 3.95Å; K343-P433 WeakPolarHBondContact O-CB 3.32Å; Y344-P433 HydrophobicContact CD1-CB 3.72Å; Y344-P433 HydrophobicContact CE1-CB 4.15Å; Y344-P433 HydrophobicContact CG-CB 4.39Å; R418-P433 WeakPolarHBondContact CD-O 3.48Å; P433-Q462 WeakPolarHBondContact CA-O 3.24Å
434	G	93.9	Very high	93.2	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.1	173.4	0	0	0	0	0	111.9	E432 Q462	E432-G434 PolarHBondContact O-N 3.14Å; G434-Q462 PolarHBondContact N-O 2.73Å; G434-Q462 PolarHBondContact O-N 2.75Å
435	L	97.2	Very high	93	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124	-177.8	-174.5	68.7	0	0	0	111	Y344 L345 F374 Q437 I534	Y344-L435 WeakPolarHBondContact O-CB 3.36Å; L345-L435 HydrophobicContact CD2-CD2 4.05Å; F374-L435 HydrophobicContact CZ-CD2 4.44Å; L435-Q437 HydrophobicContact CD2-CG 3.99Å; L435-Q437 HydrophobicContact CG-CG 4.16Å; L435-I534 HydrophobicContact CD1-CD1 4.27Å; L435-I534 HydrophobicContact CD1-CG2 3.78Å
436	V	98.3	Very high	92.8	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.4	161.9	-177.8	0	0	0	0	107.9	A413 G459 L460 I467 L470 L496 V498	A413-V436 HydrophobicContact CB-CG1 4.38Å; V436-G459 CarbonylContact O-C 3.53Å; V436-G459 WeakPolarHBondContact O-CA 3.44Å; V436-L460 HydrophobicContact CB-CB 4.24Å; V436-L460 PolarHBondContact N-O 2.98Å; V436-L460 PolarHBondContact O-N 2.9Å; V436-I467 HydrophobicContact CG2-CD1 3.69Å; V436-L470 HydrophobicContact CG1-CD1 4.2Å; V436-L470 HydrophobicContact CG1-CD2 4.09Å; V436-L470 HydrophobicContact CG2-CD2 3.96Å; V436-L496 HydrophobicContact CG1-CD2 4.09Å; V436-V498 HydrophobicContact CG2-CG1 3.96Å; V436-V498 HydrophobicContact CG2-CG2 4.11Å
437	Q	98.1	Very high	92.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129	179.2	-58.6	178.9	24.1	0	0	109.4	A390 A413 L414 C416 L435 L456	A390-Q437 PolarHBondContact O-NE2 2.78Å; A413-Q437 WeakPolarHBondContact CA-O 3.09Å; L414-Q437 HydrophobicContact CD1-CB 3.95Å; L414-Q437 HydrophobicContact CD1-CG 4.21Å; L414-Q437 HydrophobicContact CG-CB 4.18Å; L414-Q437 PolarHBondContact N-O 3.11Å; L414-Q437 PolarHBondContact O-N 3.04Å; C416-Q437 PolarHBondContact SG-NE2 3.48Å; L435-Q437 HydrophobicContact CD2-CG 3.99Å; L435-Q437 HydrophobicContact CG-CG 4.16Å; Q437-L456 HydrophobicContact CB-CD1 3.76Å; Q437-L456 HydrophobicContact CG-CD1 4.44Å
438	L	98.4	Very high	92.7	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.8	172.3	-172.6	74.1	0	0	0	110.2	Y411 A413 L456 V457 Y458 W472 L493 L510	Y411-L438 HydrophobicContact CD1-CG 4.47Å; A413-L438 HydrophobicContact CB-CD1 4.4Å; L438-L456 WeakPolarHBondContact O-CD1 3.38Å; L438-V457 WeakPolarHBondContact O-CB 3.3Å; L438-V457 PolarHBondContact O-N 3.03Å; L438-Y458 HydrophobicContact CB-CD2 4.21Å; L438-Y458 HydrophobicContact CB-CE2 4.13Å; L438-Y458 HydrophobicContact CD2-CD1 4.38Å; L438-Y458 HydrophobicContact CD2-CD2 4.45Å; L438-Y458 HydrophobicContact CD2-CE1 3.72Å; L438-Y458 HydrophobicContact CD2-CE2 3.8Å; L438-Y458 PolarHBondContact N-O 3.26Å; L438-W472 HydrophobicContact CD1-CH2 4.21Å; L438-W472 HydrophobicContact CD1-CZ2 4.09Å; L438-L493 HydrophobicContact CD1-CD2 4.48Å; L438-L493 HydrophobicContact CD2-CD2 3.82Å; L438-L510 HydrophobicContact CD1-CD2 4.33Å; L438-L510 HydrophobicContact CD2-CD2 4.44Å
439	W	98.1	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.1	179.8	-71.6	78.6	0	0	0	110.9	F374 L388 Y411 I412 L414 P454 F455 L456	F374-W439 HydrophobicContact CB-CH2 4.23Å; F374-W439 HydrophobicContact CB-CZ2 4.29Å; F374-W439 HydrophobicContact CD1-CZ2 4.23Å; F374-W439 WeakPolarHBondContact O-CH2 3.1Å; L388-W439 HydrophobicContact CB-CE3 4.13Å; L388-W439 HydrophobicContact CB-CH2 3.82Å; L388-W439 HydrophobicContact CB-CZ3 3.62Å; L388-W439 HydrophobicContact CD1-CD2 3.82Å; L388-W439 HydrophobicContact CD1-CE3 3.99Å; L388-W439 HydrophobicContact CD1-CG 4.45Å; L388-W439 HydrophobicContact CD1-CH2 3.86Å; L388-W439 HydrophobicContact CD1-CZ2 3.7Å; L388-W439 HydrophobicContact CD1-CZ3 4.02Å; L388-W439 HydrophobicContact CD2-CD2 4.06Å; L388-W439 HydrophobicContact CD2-CE3 3.72Å; L388-W439 HydrophobicContact CD2-CZ3 4.11Å; L388-W439 HydrophobicContact CG-CD2 4.44Å; L388-W439 HydrophobicContact CG-CE3 4.16Å; L388-W439 HydrophobicContact CG-CH2 4.34Å; L388-W439 HydrophobicContact CG-CZ3 4.12Å; Y411-W439 CarbonylContact C-O 3.45Å; Y411-W439 VanDerWaalsContact CA-O 3.24Å; Y411-W439 WeakPolarHBondContact CA-O 3.49Å; I412-W439 PolarHBondContact N-O 3.25Å; I412-W439 PolarHBondContact O-N 3.13Å; L414-W439 HydrophobicContact CD2-CG 4.44Å; W439-P454 HydrophobicContact CE3-CB 4.35Å; W439-F455 CarbonylContact C-O 3.49Å; W439-F455 VanDerWaalsContact CA-O 3.31Å; W439-F455 WeakPolarHBondContact CA-O 3.37Å; W439-L456 HydrophobicContact CD2-CB 4.05Å; W439-L456 HydrophobicContact CE3-CB 4.29Å; W439-L456 HydrophobicContact CG-CD1 4.48Å; W439-L456 HydrophobicContact CH2-CB 4.23Å; W439-L456 HydrophobicContact CZ2-CB 3.97Å; W439-L456 HydrophobicContact CZ3-CB 4.37Å
440	D	96.9	Very high	92.6	Very high	18 Å²	18	33.6 Å²	33.6	10%	0.096	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134	163.2	-168.5	2.9	0	0	0	108.4	S409 Y411 G442 P454 F455 V457	S409-D440 WeakPolarHBondContact CB-OD1 3.25Å; Y411-D440 HydrophobicContact CD1-CB 3.85Å; Y411-D440 HydrophobicContact CE1-CB 3.61Å; D440-G442 WeakPolarHBondContact OD1-CA 3.49Å; D440-G442 PolarHBondContact OD1-N 2.79Å; D440-P454 CarbonylContact O-C 3.49Å; D440-P454 WeakPolarHBondContact O-CA 3.33Å; D440-F455 HydrophobicContact CB-CD1 4.29Å; D440-F455 HydrophobicContact CB-CE1 3.81Å; D440-F455 HydrophobicContact CB-CZ 4.06Å; D440-F455 PolarHBondContact N-O 2.72Å; D440-F455 PolarHBondContact O-N 3.01Å; D440-V457 HydrophobicContact CB-CG2 3.66Å
441	C	95.8	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.			trans	-109.9	8	172.6	-58.5	0	0	0	0	112.1	W399 Q410 L444 L878	W399-C441 HydrophobicContact CZ3-CB 4.43Å; Q410-C441 VanDerWaalsContact O-CB 3.3Å; Q410-C441 WeakPolarHBondContact O-CB 3.42Å; Q410-C441 PolarHBondContact O-N 3.49Å; C441-L444 HydrophobicContact CB-CD1 3.8Å; C441-L444 HydrophobicContact CB-CD2 4.32Å; C441-L444 HydrophobicContact CB-CG 4.14Å; C441-L444 WeakPolarHBondContact O-CD2 3.46Å; C441-L878 HydrophobicContact CB-CD1 4.29Å
442	G	92.2	Very high	92.3	Very high	5 Å²	5	37.3 Å²	37.3	5%	0.052	19%	0.188	C	C	.	.			trans	71.7	-160.6	-178.4	0	0	0	0	0	113.1	Q410 D440 L444	Q410-G442 WeakPolarHBondContact CB-O 3.06Å; Q410-G442 PolarHBondContact N-O 3.46Å; D440-G442 WeakPolarHBondContact OD1-CA 3.49Å; D440-G442 PolarHBondContact OD1-N 2.79Å; G442-L444 PolarHBondContact O-N 3.25Å; G442-L444 VanDerWaalsContact O-N 3.15Å
443	K	91.9	Very high	92.4	Very high	110 Å²	110	37.1 Å²	37.1	48%	0.478	19%	0.187	S	C	.	.			trans	-86.3	84.7	-179.3	-66.9	-175.9	179.9	-175.3	0	110.7	P407 E445	P407-K443 VanDerWaalsContact O-CE 3.26Å; P407-K443 WeakPolarHBondContact O-CE 3.36Å; P407-K443 PolarHBondContact O-NZ 3.2Å; K443-E445 VanDerWaalsContact C-N 3.28Å; K443-E445 PolarHBondContact O-N 3.39Å
444	L	92.4	Very high	92.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.18	C	C	.	.			trans	-74.4	74.5	178.7	-57.2	-177.7	0	0	0	112.1	M386 W399 Q410 C441 G442 P450 S863 W866	M386-L444 HydrophobicContact CE-CD2 3.83Å; W399-L444 HydrophobicContact CH2-CD1 3.46Å; W399-L444 VanDerWaalsContact CH2-CD1 3.46Å; W399-L444 HydrophobicContact CZ3-CD1 3.6Å; Q410-L444 HydrophobicContact CB-CB 4.34Å; Q410-L444 HydrophobicContact CB-CD1 4Å; Q410-L444 HydrophobicContact CB-CG 4.04Å; Q410-L444 HydrophobicContact CG-CB 3.98Å; Q410-L444 HydrophobicContact CG-CD1 4.5Å; Q410-L444 HydrophobicContact CG-CG 4.24Å; C441-L444 HydrophobicContact CB-CD1 3.8Å; C441-L444 HydrophobicContact CB-CD2 4.32Å; C441-L444 HydrophobicContact CB-CG 4.14Å; C441-L444 WeakPolarHBondContact O-CD2 3.46Å; G442-L444 PolarHBondContact O-N 3.25Å; G442-L444 VanDerWaalsContact O-N 3.15Å; L444-P450 HydrophobicContact CD2-CB 4.1Å; L444-P450 HydrophobicContact CD2-CG 3.62Å; L444-S863 VanDerWaalsContact O-CB 3.3Å; L444-S863 WeakPolarHBondContact O-CB 3.41Å; L444-S863 PolarHBondContact O-OG 2.84Å; L444-W866 HydrophobicContact CB-CD2 4.06Å; L444-W866 HydrophobicContact CB-CG 4.02Å; L444-W866 HydrophobicContact CB-CZ2 4.4Å; L444-W866 HydrophobicContact CD1-CB 4.39Å; L444-W866 HydrophobicContact CD1-CD2 4.09Å; L444-W866 HydrophobicContact CD1-CE3 4.27Å; L444-W866 HydrophobicContact CD1-CG 4.16Å; L444-W866 HydrophobicContact CD2-CD2 4.38Å; L444-W866 HydrophobicContact CD2-CE3 4.44Å; L444-W866 HydrophobicContact CD2-CH2 4.18Å; L444-W866 HydrophobicContact CD2-CZ2 4.11Å; L444-W866 HydrophobicContact CD2-CZ3 4.36Å; L444-W866 HydrophobicContact CG-CD2 4.43Å; L444-W866 PolarHBondContact O-NE1 3.41Å
445	E	85.7	Confident	92.6	Very high	64 Å²	64	40.7 Å²	40.7	30%	0.299	20%	0.199	S	C	.	.			trans	-71.9	164.7	173.4	-65.5	178.7	177.8	0	0	111.9	K443 K448 W866	K443-E445 VanDerWaalsContact C-N 3.28Å; K443-E445 PolarHBondContact O-N 3.39Å; E445-K448 HydrophobicContact CB-CB 4.1Å; E445-K448 VanDerWaalsContact OE2-CB 3.3Å; E445-K448 WeakPolarHBondContact OE2-CB 3.5Å; E445-W866 PolarHBondContact O-NE1 3.15Å
446	Y	83.7	Confident	92.6	Very high	18 Å²	18	41 Å²	41	7%	0.071	20%	0.201	C	C	.	.	S	Bend	trans	-86.3	-18.6	179.8	63.2	-96.1	0	0	0	113.7	I885 K890 I893	Y446-I885 HydrophobicContact CD2-CD1 4.36Å; Y446-I885 HydrophobicContact CD2-CG1 4.46Å; Y446-I885 HydrophobicContact CD2-CG2 3.85Å; Y446-I885 HydrophobicContact CE2-CG2 4.37Å; Y446-I885 HydrophobicContact CG-CD1 4.13Å; Y446-K890 HydrophobicContact CD2-CG 4.41Å; Y446-K890 HydrophobicContact CE2-CB 4.32Å; Y446-K890 HydrophobicContact CE2-CD 4.06Å; Y446-K890 HydrophobicContact CE2-CG 3.6Å; Y446-I893 HydrophobicContact CD1-CD1 3.65Å; Y446-I893 HydrophobicContact CE1-CB 4.14Å; Y446-I893 HydrophobicContact CE1-CD1 3.64Å; Y446-I893 HydrophobicContact CE1-CG1 4.5Å; Y446-I893 HydrophobicContact CE1-CG2 3.86Å
447	N	83.3	Confident	92.4	Very high	90 Å²	90	41 Å²	41	48%	0.481	20%	0.201	S	C	.	.	S	Bend	trans	-118.7	-11.7	-172.2	55.1	-47.7	0	0	0	114	W384	W384-N447 WeakPolarHBondContact CH2-O 3.47Å
448	K	87.8	Confident	92.3	Very high	87 Å²	87	41.2 Å²	41.2	38%	0.378	20%	0.202	S	C	.	.	S	Bend	trans	-116.3	144.2	-179.3	-160.5	-165.4	173.5	-169	0	110.2	W384 E445 D451	W384-K448 WeakPolarHBondContact CZ3-O 3.45Å; E445-K448 HydrophobicContact CB-CB 4.1Å; E445-K448 VanDerWaalsContact OE2-CB 3.3Å; E445-K448 WeakPolarHBondContact OE2-CB 3.5Å; K448-D451 WeakPolarHBondContact CE-OD1 3.5Å; K448-D451 IonicContact NZ-OD1 2.7Å; K448-D451 PolarHBondContact NZ-OD1 3.35Å; K448-D451 IonicContact NZ-OD2 3.11Å; K448-D451 PolarHBondContact NZ-OD2 3.33Å
449	K	90.6	Very high	92.2	Very high	79 Å²	79	41 Å²	41	34%	0.343	20%	0.201	S	C	.	.			trans	-62.4	138.5	164.9	-173	-164.2	170.7	-179.5	0	108.8	A379 W384 D451	A379-K449 HydrophobicContact CB-CG 4.24Å; A379-K449 WeakPolarHBondContact O-CE 3.3Å; A379-K449 PolarHBondContact O-NZ 3.31Å; W384-K449 HydrophobicContact CD2-CB 4.4Å; W384-K449 HydrophobicContact CG-CB 4.46Å; W384-K449 HydrophobicContact CG-CG 4.23Å; W384-K449 HydrophobicContact CZ2-CB 4.36Å; K449-D451 PolarHBondContact O-N 2.83Å
450	P	91.5	Very high	92.2	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.019	20%	0.202	C	C	.	.			trans	-55.6	128.6	165.2	-23.7	34.4	0	0	0	111.1	A379 M386 L444 W866	A379-P450 HydrophobicContact CB-CB 4.28Å; A379-P450 HydrophobicContact CB-CG 4.15Å; M386-P450 HydrophobicContact CE-CB 4.48Å; M386-P450 HydrophobicContact CE-CG 3.91Å; M386-P450 HydrophobicContact SD-CB 4.43Å; M386-P450 HydrophobicContact SD-CG 4.4Å; L444-P450 HydrophobicContact CD2-CB 4.1Å; L444-P450 HydrophobicContact CD2-CG 3.62Å; P450-W866 HydrophobicContact CG-CH2 3.64Å; P450-W866 HydrophobicContact CG-CZ2 3.79Å
451	D	87.2	Confident	92.2	Very high	127 Å²	127	40.4 Å²	40.4	68%	0.679	20%	0.198	S	C	*	.	S	Bend	trans	-76.5	-32.5	179.7	-53.1	-68.2	0	0	0	112	K448 K449	K448-D451 WeakPolarHBondContact CE-OD1 3.5Å; K448-D451 IonicContact NZ-OD1 2.7Å; K448-D451 PolarHBondContact NZ-OD1 3.35Å; K448-D451 IonicContact NZ-OD2 3.11Å; K448-D451 PolarHBondContact NZ-OD2 3.33Å; K449-D451 PolarHBondContact O-N 2.83Å
452	S	89.9	Confident	92.2	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	20%	0.199	S	C	.	.	S	Bend	trans	-106.1	154.6	179.4	57.4	0	0	0	0	111.6
453	Q	93.9	Very high	92.2	Very high	85 Å²	85	43.1 Å²	43.1	40%	0.397	21%	0.211	S	C	.	.			trans	-82.2	159	163.7	71.8	-175.5	49.3	0	0	111	S376 A378	S376-Q453 PolarHBondContact O-NE2 3.25Å; S376-Q453 WeakPolarHBondContact OG-CG 3.16Å; S376-Q453 PolarHBondContact OG-NE2 2.87Å; A378-Q453 HydrophobicContact CB-CB 4.06Å
454	P	96.6	Very high	92.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.			trans	-65.6	151.2	176.6	-19.6	33.3	0	0	0	111.7	S376 M386 L388 W439 D440 L878	S376-P454 WeakPolarHBondContact CB-O 3.22Å; S376-P454 PolarHBondContact OG-O 3.03Å; M386-P454 HydrophobicContact CB-CG 4.41Å; M386-P454 HydrophobicContact SD-CG 3.89Å; L388-P454 HydrophobicContact CD2-CB 3.68Å; L388-P454 HydrophobicContact CD2-CG 4.17Å; W439-P454 HydrophobicContact CE3-CB 4.35Å; D440-P454 CarbonylContact O-C 3.49Å; D440-P454 WeakPolarHBondContact O-CA 3.33Å; P454-L878 HydrophobicContact CG-CD1 3.96Å
455	F	95.8	Very high	92.3	Very high	101 Å²	101	40.3 Å²	40.3	44%	0.443	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.7	172.7	67.4	-80.9	0	0	0	112.2	W439 D440 V457	W439-F455 CarbonylContact C-O 3.49Å; W439-F455 VanDerWaalsContact CA-O 3.31Å; W439-F455 WeakPolarHBondContact CA-O 3.37Å; D440-F455 HydrophobicContact CB-CD1 4.29Å; D440-F455 HydrophobicContact CB-CE1 3.81Å; D440-F455 HydrophobicContact CB-CZ 4.06Å; D440-F455 PolarHBondContact N-O 2.72Å; D440-F455 PolarHBondContact O-N 3.01Å; F455-V457 HydrophobicContact CD2-CG2 4.27Å; F455-V457 HydrophobicContact CE2-CB 4.47Å; F455-V457 HydrophobicContact CE2-CG2 3.83Å; F455-V457 HydrophobicContact CZ-CG2 4.22Å; F455-V457 PolarHBondContact O-N 3.23Å
456	L	96.4	Very high	92.7	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.9	173.7	178.8	51.5	0	0	0	108.4	F374 Q437 L438 W439 Y458 P532	F374-L456 HydrophobicContact CB-CB 4.24Å; F374-L456 HydrophobicContact CB-CD2 4.05Å; F374-L456 HydrophobicContact CD1-CD2 3.51Å; F374-L456 HydrophobicContact CD2-CD2 3.81Å; F374-L456 HydrophobicContact CE1-CD2 3.84Å; F374-L456 HydrophobicContact CE2-CD2 4.09Å; F374-L456 HydrophobicContact CG-CD2 3.51Å; F374-L456 HydrophobicContact CZ-CD2 4.11Å; Q437-L456 HydrophobicContact CB-CD1 3.76Å; Q437-L456 HydrophobicContact CG-CD1 4.44Å; L438-L456 WeakPolarHBondContact O-CD1 3.38Å; W439-L456 HydrophobicContact CD2-CB 4.05Å; W439-L456 HydrophobicContact CE3-CB 4.29Å; W439-L456 HydrophobicContact CG-CD1 4.48Å; W439-L456 HydrophobicContact CH2-CB 4.23Å; W439-L456 HydrophobicContact CZ2-CB 3.97Å; W439-L456 HydrophobicContact CZ3-CB 4.37Å; L456-Y458 WeakPolarHBondContact CD1-O 3.49Å; L456-P532 HydrophobicContact CB-CB 4.13Å; L456-P532 HydrophobicContact CB-CG 4.25Å; L456-P532 HydrophobicContact CD2-CB 4.11Å; L456-P532 HydrophobicContact CD2-CG 3.79Å; L456-P532 HydrophobicContact CG-CB 3.78Å; L456-P532 HydrophobicContact CG-CG 3.99Å; L456-P532 WeakPolarHBondContact O-CB 3.48Å
457	V	94.8	Very high	93.3	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-52.8	-177.6	-176.1	0	0	0	0	110.6	Y411 L438 D440 F455 P513 L517 P533	Y411-V457 HydrophobicContact CE1-CG2 4.41Å; L438-V457 WeakPolarHBondContact O-CB 3.3Å; L438-V457 PolarHBondContact O-N 3.03Å; D440-V457 HydrophobicContact CB-CG2 3.66Å; F455-V457 HydrophobicContact CD2-CG2 4.27Å; F455-V457 HydrophobicContact CE2-CB 4.47Å; F455-V457 HydrophobicContact CE2-CG2 3.83Å; F455-V457 HydrophobicContact CZ-CG2 4.22Å; F455-V457 PolarHBondContact O-N 3.23Å; V457-P513 HydrophobicContact CG1-CB 3.5Å; V457-P513 HydrophobicContact CG1-CG 3.71Å; V457-L517 HydrophobicContact CG1-CD1 4.15Å; V457-P533 WeakPolarHBondContact O-CD 3.46Å
458	Y	96.1	Very high	93.8	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.6	175.3	59.5	-110.6	0	0	0	111.1	W333 L438 L456 P511 L516 P533 Y535	W333-Y458 HydrophobicContact CH2-CD2 4.48Å; W333-Y458 AromaticContact CH2-CE2 3.68Å; W333-Y458 HydrophobicContact CH2-CE2 3.68Å; W333-Y458 AromaticContact CZ3-CD2 3.96Å; W333-Y458 HydrophobicContact CZ3-CD2 3.96Å; W333-Y458 AromaticContact CZ3-CE2 3.58Å; W333-Y458 HydrophobicContact CZ3-CE2 3.58Å; L438-Y458 HydrophobicContact CB-CD2 4.21Å; L438-Y458 HydrophobicContact CB-CE2 4.13Å; L438-Y458 HydrophobicContact CD2-CD1 4.38Å; L438-Y458 HydrophobicContact CD2-CD2 4.45Å; L438-Y458 HydrophobicContact CD2-CE1 3.72Å; L438-Y458 HydrophobicContact CD2-CE2 3.8Å; L438-Y458 PolarHBondContact N-O 3.26Å; L456-Y458 WeakPolarHBondContact CD1-O 3.49Å; Y458-P511 PolarHBondContact OH-O 3.38Å; Y458-P511 VanDerWaalsContact OH-O 3.08Å; Y458-L516 HydrophobicContact CD1-CD2 4.05Å; Y458-L516 HydrophobicContact CE1-CD2 4.01Å; Y458-P533 WeakPolarHBondContact CA-O 3.19Å; Y458-P533 VanDerWaalsContact CB-O 3.25Å; Y458-P533 WeakPolarHBondContact CB-O 3.49Å; Y458-Y535 HydrophobicContact CG-CD2 4.48Å
459	G	96.8	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.9	170.7	0	0	0	0	0	112.1	V436 P533 I534 Y535	V436-G459 CarbonylContact O-C 3.53Å; V436-G459 WeakPolarHBondContact O-CA 3.44Å; G459-P533 PolarHBondContact N-O 2.97Å; G459-I534 WeakPolarHBondContact O-CA 3.21Å; G459-Y535 PolarHBondContact O-N 3.47Å
460	L	97.4	Very high	94.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105	170.7	167.5	56.1	0	0	0	109.1	V436 Y508 Y535 A537	V436-L460 HydrophobicContact CB-CB 4.24Å; V436-L460 PolarHBondContact N-O 2.98Å; V436-L460 PolarHBondContact O-N 2.9Å; L460-Y508 HydrophobicContact CD1-CD1 4.35Å; L460-Y508 HydrophobicContact CD1-CE1 4.15Å; L460-Y508 HydrophobicContact CD2-CD1 3.81Å; L460-Y508 HydrophobicContact CD2-CD2 3.75Å; L460-Y508 HydrophobicContact CD2-CE1 4.06Å; L460-Y508 HydrophobicContact CD2-CE2 3.96Å; L460-Y508 HydrophobicContact CD2-CG 3.66Å; L460-Y535 WeakPolarHBondContact CA-O 3.28Å; L460-A537 HydrophobicContact CD1-CB 3.47Å; L460-A537 VanDerWaalsContact CD1-CB 3.47Å
461	A	96.8	Very high	94.9	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.1	178	0	0	0	0	0	111.9	V336 Y344 I534 Y535	V336-A461 HydrophobicContact CG2-CB 3.89Å; Y344-A461 HydrophobicContact CD1-CB 3.6Å; Y344-A461 HydrophobicContact CD2-CB 4.12Å; Y344-A461 HydrophobicContact CE1-CB 4Å; Y344-A461 HydrophobicContact CE2-CB 4.47Å; Y344-A461 HydrophobicContact CG-CB 3.68Å; A461-I534 HydrophobicContact CB-CG2 3.81Å; A461-Y535 PolarHBondContact N-O 2.64Å
462	Q	94.6	Very high	95.4	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.7	174.3	59.6	178.2	8.4	0	0	112.4	P433 G434 K464 Y508	P433-Q462 WeakPolarHBondContact CA-O 3.24Å; G434-Q462 PolarHBondContact N-O 2.73Å; G434-Q462 PolarHBondContact O-N 2.75Å; Q462-K464 HydrophobicContact CB-CB 4.44Å; Q462-K464 HydrophobicContact CB-CD 4.4Å; Q462-K464 HydrophobicContact CB-CG 4.36Å; Q462-K464 HydrophobicContact CG-CB 4.3Å; Q462-K464 PolarHBondContact O-N 3.06Å; Q462-Y508 PolarHBondContact OE1-OH 2.91Å
463	D	93.9	Very high	95.8	Very high	58 Å²	58	23 Å²	23	31%	0.31	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	73.1	171.1	-51.5	-80.6	0	0	0	108.8	K343 Y344 S431 K536	K343-D463 IonicContact NZ-OD1 2.67Å; K343-D463 PolarHBondContact NZ-OD1 3.3Å; Y344-D463 WeakPolarHBondContact CE1-OD1 3.43Å; S431-D463 CarbonylContact O-C 3.53Å; D463-K536 VanDerWaalsContact OD2-CE 3.28Å; D463-K536 WeakPolarHBondContact OD2-CE 3.34Å; D463-K536 IonicContact OD2-NZ 3.18Å; D463-K536 PolarHBondContact OD2-NZ 2.98Å
464	K	92.6	Very high	95.8	Very high	52 Å²	52	20.2 Å²	20.2	23%	0.226	9%	0.094	C	C	.	.	S	Bend	trans	-141	12.5	-171.7	-70.6	-177	-179.7	166	0	113.2	Y430 E432 Q462 T500 S502 V504 T506 Y508	Y430-K464 CarbonylContact O-C 3.59Å; E432-K464 PolarHBondContact O-N 2.87Å; Q462-K464 HydrophobicContact CB-CB 4.44Å; Q462-K464 HydrophobicContact CB-CD 4.4Å; Q462-K464 HydrophobicContact CB-CG 4.36Å; Q462-K464 HydrophobicContact CG-CB 4.3Å; Q462-K464 PolarHBondContact O-N 3.06Å; K464-T500 HydrophobicContact CB-CG2 4.12Å; K464-T500 VanDerWaalsContact O-CB 3.25Å; K464-T500 WeakPolarHBondContact O-CB 3.23Å; K464-T500 PolarHBondContact O-OG1 2.96Å; K464-S502 WeakPolarHBondContact O-CB 3.46Å; K464-S502 PolarHBondContact O-N 2.86Å; K464-S502 PolarHBondContact O-OG 3.01Å; K464-V504 HydrophobicContact CD-CG2 4.46Å; K464-T506 PolarHBondContact NZ-OG1 2.82Å; K464-Y508 PolarHBondContact NZ-OH 3.2Å
465	G	92.9	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.			trans	81.3	174.5	-169.1	0	0	0	0	0	112.8	Y430 E432	Y430-G465 VanDerWaalsContact O-CA 3.25Å; Y430-G465 WeakPolarHBondContact O-CA 3.33Å; Y430-G465 PolarHBondContact O-N 3.15Å; E432-G465 VanDerWaalsContact O-CA 3.28Å; E432-G465 WeakPolarHBondContact O-CA 3.33Å; E432-G465 PolarHBondContact O-N 2.86Å
466	F	93.6	Very high	95.7	Very high	12 Å²	12	16.5 Å²	16.5	5%	0.053	8%	0.083	C	C	.	.			trans	-64.5	166.9	172.9	61.1	-89.1	0	0	0	112.1	H417 H424 Y430 W468 T500 S501	H417-F466 AromaticContact CE1-CD2 3.97Å; H417-F466 AromaticContact NE2-CD2 3.43Å; H417-F466 WeakPolarHBondContact NE2-CD2 3.12Å; H417-F466 AromaticContact NE2-CG 3.91Å; H424-F466 HydrophobicContact CB-CE1 3.84Å; H424-F466 HydrophobicContact CB-CZ 3.69Å; H424-F466 AromaticContact CD2-CD1 3.51Å; H424-F466 AromaticContact CD2-CE1 3.12Å; H424-F466 WeakPolarHBondContact CD2-CE1 3.49Å; H424-F466 AromaticContact CD2-CZ 3.89Å; H424-F466 AromaticContact CE1-CD1 3.87Å; H424-F466 AromaticContact CG-CE1 3.45Å; H424-F466 VanDerWaalsContact CG-CE1 3.45Å; H424-F466 AromaticContact CG-CZ 3.73Å; H424-F466 AromaticContact NE2-CD1 3.38Å; H424-F466 WeakPolarHBondContact NE2-CD1 3.44Å; H424-F466 AromaticContact NE2-CE1 3.55Å; Y430-F466 HydrophobicContact CD1-CE1 4.36Å; Y430-F466 AromaticContact CD2-CE1 3.56Å; Y430-F466 HydrophobicContact CD2-CE1 3.56Å; Y430-F466 HydrophobicContact CD2-CZ 4.07Å; Y430-F466 HydrophobicContact CE2-CE1 4.17Å; Y430-F466 HydrophobicContact CE2-CZ 4.47Å; Y430-F466 HydrophobicContact CG-CD1 4.42Å; Y430-F466 AromaticContact CG-CE1 3.68Å; Y430-F466 HydrophobicContact CG-CE1 3.68Å; F466-W468 HydrophobicContact CE2-CD2 4.31Å; F466-W468 AromaticContact CE2-CE2 3.61Å; F466-W468 AromaticContact CE2-CZ2 3.76Å; F466-W468 HydrophobicContact CE2-CZ2 3.76Å; F466-W468 AromaticContact CE2-NE1 3.53Å; F466-W468 HydrophobicContact CZ-CZ2 4.4Å; F466-T500 WeakPolarHBondContact O-CA 3.32Å; F466-S501 WeakPolarHBondContact CD1-OG 3.41Å; F466-S501 VanDerWaalsContact CE1-CB 3.48Å; F466-S501 WeakPolarHBondContact CE1-OG 3.43Å; F466-S501 WeakPolarHBondContact CG-OG 3.26Å; F466-S501 WeakPolarHBondContact CZ-OG 3.35Å; F466-S501 PolarHBondContact N-OG 3.36Å; F466-S501 PolarHBondContact O-N 2.87Å; F466-S501 VanDerWaalsContact O-N 3.1Å; F466-S501 PolarHBondContact O-OG 3.41Å
467	I	96.1	Very high	95.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.2	-162.8	-63.9	144.7	0	0	0	109.5	A396 A415 V436 L470 V498 A499 T500	A396-I467 HydrophobicContact CB-CG2 4.31Å; A415-I467 HydrophobicContact CB-CB 3.74Å; A415-I467 HydrophobicContact CB-CD1 3.65Å; A415-I467 HydrophobicContact CB-CG1 4.3Å; A415-I467 HydrophobicContact CB-CG2 3.7Å; V436-I467 HydrophobicContact CG2-CD1 3.69Å; I467-L470 HydrophobicContact CG2-CD2 4.01Å; I467-L470 HydrophobicContact CG2-CG 4.25Å; I467-V498 HydrophobicContact CD1-CG1 4.46Å; I467-V498 HydrophobicContact CG1-CG1 3.92Å; I467-V498 HydrophobicContact CG2-CG1 3.83Å; I467-A499 WeakPolarHBondContact CA-O 3.43Å; I467-T500 HydrophobicContact CG1-CG2 4.28Å
468	W	93.6	Very high	95.5	Very high	58 Å²	58	17.1 Å²	17.1	22%	0.22	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-39.2	177.1	-80.6	116.1	0	0	0	113.1	W395 F466 A499 V559 L560	W395-W468 HydrophobicContact CE3-CZ3 4.19Å; W395-W468 HydrophobicContact CZ3-CZ3 4.47Å; F466-W468 HydrophobicContact CE2-CD2 4.31Å; F466-W468 AromaticContact CE2-CE2 3.61Å; F466-W468 AromaticContact CE2-CZ2 3.76Å; F466-W468 HydrophobicContact CE2-CZ2 3.76Å; F466-W468 AromaticContact CE2-NE1 3.53Å; F466-W468 HydrophobicContact CZ-CZ2 4.4Å; W468-A499 PolarHBondContact N-O 3.37Å; W468-V559 VanDerWaalsContact CD1-O 3.26Å; W468-L560 HydrophobicContact CD2-CD2 4.11Å; W468-L560 HydrophobicContact CG-CD2 4.15Å; W468-L560 HydrophobicContact CZ2-CD2 4.16Å
469	Q	96.7	Very high	95.4	Very high	20 Å²	20	18.3 Å²	18.3	9%	0.093	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.6	-170.3	-162.3	-175.1	-1.5	0	0	111.7	A499 M562	Q469-A499 HydrophobicContact CB-CB 4.16Å; Q469-A499 PolarHBondContact O-N 2.86Å; Q469-M562 HydrophobicContact CB-CE 4.01Å; Q469-M562 HydrophobicContact CG-CE 4.1Å; Q469-M562 HydrophobicContact CG-CG 4.46Å; Q469-M562 PolarHBondContact NE2-O 3.28Å; Q469-M562 WeakPolarHBondContact O-CE 3.28Å; Q469-M562 PolarHBondContact OE1-O 2.75Å
470	L	98.4	Very high	95.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.9	166.5	-64.9	172.9	0	0	0	107.9	A396 E398 A413 A415 V436 I467 L496 A497 V498	A396-L470 HydrophobicContact CB-CB 4.38Å; A396-L470 HydrophobicContact CB-CD1 4.05Å; A396-L470 HydrophobicContact CB-CG 3.82Å; E398-L470 HydrophobicContact CG-CB 4.16Å; E398-L470 WeakPolarHBondContact CG-O 3.28Å; A413-L470 HydrophobicContact CB-CD1 4.08Å; A413-L470 WeakPolarHBondContact O-CD1 3.43Å; A415-L470 HydrophobicContact CB-CD1 4.35Å; V436-L470 HydrophobicContact CG1-CD1 4.2Å; V436-L470 HydrophobicContact CG1-CD2 4.09Å; V436-L470 HydrophobicContact CG2-CD2 3.96Å; I467-L470 HydrophobicContact CG2-CD2 4.01Å; I467-L470 HydrophobicContact CG2-CG 4.25Å; L470-L496 HydrophobicContact CB-CD1 4.22Å; L470-L496 HydrophobicContact CD2-CD1 4.35Å; L470-L496 HydrophobicContact CD2-CD2 4.44Å; L470-A497 WeakPolarHBondContact CA-O 3.46Å; L470-V498 HydrophobicContact CD2-CB 4.2Å; L470-V498 HydrophobicContact CD2-CG1 3.99Å; L470-V498 HydrophobicContact CD2-CG2 3.76Å
471	K	98.1	Very high	94.8	Very high	43 Å²	43	22.2 Å²	22.2	19%	0.187	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	127.3	166.9	-84.2	-51.8	-167.3	-164	0	110.9	E398 A497 M562	E398-K471 HydrophobicContact CG-CD 4.36Å; E398-K471 IonicContact OE1-NZ 3.93Å; E398-K471 PolarHBondContact OE1-NZ 3.37Å; E398-K471 IonicContact OE2-NZ 2.74Å; K471-A497 PolarHBondContact N-O 2.81Å; K471-A497 WeakPolarHBondContact O-CB 3.35Å; K471-A497 PolarHBondContact O-N 2.76Å; K471-M562 HydrophobicContact CB-CE 3.98Å; K471-M562 HydrophobicContact CB-SD 4.38Å; K471-M562 HydrophobicContact CG-CE 4.28Å; K471-M562 HydrophobicContact CG-CG 4.38Å
472	W	98.1	Very high	94.3	Very high	16 Å²	16	28.7 Å²	28.7	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.7	170.6	-64.9	96.2	0	0	0	111.5	E398 W399 C400 P401 A413 L438 L493 L495 L496 L510	E398-W472 PolarHBondContact O-NE1 2.84Å; W399-W472 PolarHBondContact O-NE1 2.67Å; C400-W472 HydrophobicContact CB-CD2 4.3Å; C400-W472 HydrophobicContact CB-CH2 3.98Å; C400-W472 HydrophobicContact CB-CZ2 3.6Å; P401-W472 VanDerWaalsContact CD-CG 3.48Å; P401-W472 HydrophobicContact CG-CB 3.83Å; P401-W472 HydrophobicContact CG-CG 4.45Å; A413-W472 HydrophobicContact CB-CZ2 3.72Å; L438-W472 HydrophobicContact CD1-CH2 4.21Å; L438-W472 HydrophobicContact CD1-CZ2 4.09Å; W472-L493 HydrophobicContact CH2-CD2 4.38Å; W472-L495 CarbonylContact C-O 3.58Å; W472-L495 WeakPolarHBondContact CA-O 3.4Å; W472-L496 HydrophobicContact CD2-CB 4.33Å; W472-L496 HydrophobicContact CD2-CD1 3.89Å; W472-L496 HydrophobicContact CE3-CB 3.96Å; W472-L496 HydrophobicContact CE3-CD1 4.39Å; W472-L496 HydrophobicContact CG-CD1 4.11Å; W472-L496 HydrophobicContact CH2-CB 4.49Å; W472-L496 HydrophobicContact CZ2-CD2 4.41Å; W472-L496 HydrophobicContact CZ3-CB 4.04Å; W472-L510 HydrophobicContact CH2-CD2 3.55Å; W472-L510 HydrophobicContact CZ2-CD2 4.42Å; W472-L510 HydrophobicContact CZ3-CD2 4.03Å
473	C	97.8	Very high	93.9	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.02	16%	0.16	C	C	.	.			trans	-63	126.4	165.5	-178.9	0	0	0	0	109.5	P401 A475 L495 W564	P401-C473 WeakPolarHBondContact CG-O 3.4Å; C473-A475 VanDerWaalsContact C-N 3.32Å; C473-A475 PolarHBondContact O-N 2.95Å; C473-A475 VanDerWaalsContact O-N 3.16Å; C473-A475 PolarHBondContact SG-O 2.88Å; C473-A475 VanDerWaalsContact SG-O 3.42Å; C473-L495 HydrophobicContact CB-CB 3.82Å; C473-L495 HydrophobicContact CB-CD1 4.31Å; C473-L495 PolarHBondContact N-O 3.39Å; C473-W564 HydrophobicContact CB-CD2 4.19Å; C473-W564 HydrophobicContact CB-CE3 4.24Å; C473-W564 HydrophobicContact CB-CH2 3.71Å; C473-W564 HydrophobicContact CB-CZ2 3.62Å; C473-W564 HydrophobicContact CB-CZ3 4.01Å
474	P	95.6	Very high	93.4	Very high	27 Å²	27	34.4 Å²	34.4	18%	0.175	19%	0.187	C	C	.	.	S	Bend	trans	-57.6	-35.7	-167.8	-29.8	35.5	0	0	0	115.9	W564	P474-W564 HydrophobicContact CG-CB 4.23Å; P474-W564 HydrophobicContact CG-CG 4.33Å
475	A	95.6	Very high	93.1	Very high	13 Å²	13	35.6 Å²	35.6	11%	0.107	19%	0.191	C	C	.	.	S	Bend	trans	-154.4	170.3	179.9	0	0	0	0	0	112.2	Y318 V322 C473 G477	Y318-A475 HydrophobicContact CD1-CB 4.3Å; Y318-A475 HydrophobicContact CD2-CB 3.58Å; Y318-A475 HydrophobicContact CE2-CB 4.29Å; Y318-A475 HydrophobicContact CG-CB 3.57Å; V322-A475 WeakPolarHBondContact CG2-O 3.39Å; C473-A475 VanDerWaalsContact C-N 3.32Å; C473-A475 PolarHBondContact O-N 2.95Å; C473-A475 VanDerWaalsContact O-N 3.16Å; C473-A475 PolarHBondContact SG-O 2.88Å; C473-A475 VanDerWaalsContact SG-O 3.42Å; A475-G477 PolarHBondContact O-N 2.99Å
476	G	93	Very high	92.8	Very high	10 Å²	10	44.5 Å²	44.5	10%	0.103	23%	0.229	C	C	.	.	S	Bend	trans	67.4	1.6	176.6	0	0	0	0	0	115.8	S319 W321 V322 R492	S319-G476 WeakPolarHBondContact O-CA 3.38Å; S319-G476 PolarHBondContact O-N 3.04Å; W321-G476 VanDerWaalsContact CE3-O 3.25Å; V322-G476 WeakPolarHBondContact CG2-O 3.36Å; V322-G476 PolarHBondContact N-O 3.31Å; G476-R492 PolarHBondContact O-NH2 2.99Å
477	G	93.1	Very high	92.3	Very high	5 Å²	5	48.3 Å²	48.3	5%	0.052	26%	0.263	C	S	.	.			trans	-79.4	-22.2	175.8	0	0	0	0	0	113.9	A475 R492	A475-G477 PolarHBondContact O-N 2.99Å; G477-R492 WeakPolarHBondContact O-CG 3.5Å; G477-R492 PolarHBondContact O-NE 3.37Å
478	W	94.9	Very high	92	Very high	24 Å²	24	50.2 Å²	50.2	9%	0.091	28%	0.276	C	S	.	.			trans	-97.6	140.8	-169.4	-173.9	100.1	0	0	0	112.5	P403 A406 A408 L480 R492 L493 H512 F900	P403-W478 VanDerWaalsContact CD-CD2 3.43Å; P403-W478 VanDerWaalsContact CD-CE3 3.42Å; P403-W478 HydrophobicContact CG-CD2 3.99Å; P403-W478 HydrophobicContact CG-CE3 3.43Å; P403-W478 VanDerWaalsContact CG-CE3 3.43Å; P403-W478 HydrophobicContact CG-CG 4.47Å; P403-W478 HydrophobicContact CG-CZ3 3.91Å; A406-W478 HydrophobicContact CB-CH2 4.22Å; A406-W478 HydrophobicContact CB-CZ2 4.48Å; A408-W478 HydrophobicContact CB-CZ2 3.85Å; W478-L480 HydrophobicContact CH2-CD2 3.84Å; W478-L480 HydrophobicContact CH2-CG 4.28Å; W478-L480 HydrophobicContact CZ3-CD2 4.23Å; W478-L480 HydrophobicContact CZ3-CG 4.24Å; W478-R492 CarbonylContact C-O 3.58Å; W478-L493 WeakPolarHBondContact CA-O 3.48Å; W478-L493 VanDerWaalsContact CD1-O 3.27Å; W478-H512 AromaticContact NE1-CE1 3.68Å; W478-F900 AromaticContact CH2-CZ 3.93Å; W478-F900 HydrophobicContact CH2-CZ 3.93Å; W478-F900 HydrophobicContact CZ3-CE2 4.32Å; W478-F900 AromaticContact CZ3-CZ 3.97Å; W478-F900 HydrophobicContact CZ3-CZ 3.97Å
479	E	93	Very high	92	Very high	28 Å²	28	52.4 Å²	52.4	13%	0.131	29%	0.287	C	S	.	.			trans	-119.3	167.4	169.3	-59.3	-171.6	94.1	0	0	110.4	W321 R485 R492 H512	W321-E479 HydrophobicContact CE3-CG 4.4Å; W321-E479 HydrophobicContact CH2-CG 3.69Å; W321-E479 HydrophobicContact CZ3-CG 3.36Å; E479-R485 IonicContact OE1-CZ 3.7Å; E479-R485 IonicContact OE1-NE 2.75Å; E479-R485 PolarHBondContact OE1-NE 3.19Å; E479-R485 VanDerWaalsContact OE1-NE 3.11Å; E479-R485 IonicContact OE1-NH2 2.74Å; E479-R485 PolarHBondContact OE1-NH2 3.14Å; E479-R485 IonicContact OE2-CZ 3.65Å; E479-R485 IonicContact OE2-NE 3.42Å; E479-R485 PolarHBondContact OE2-NE 2.91Å; E479-R485 IonicContact OE2-NH2 3.7Å; E479-R485 PolarHBondContact OE2-NH2 2.86Å; E479-R492 HydrophobicContact CG-CB 4.19Å; E479-R492 PolarHBondContact N-O 3.49Å; E479-R492 WeakPolarHBondContact OE2-CB 3.38Å; E479-R492 PolarHBondContact OE2-N 3.42Å; E479-H512 PolarHBondContact O-NE2 2.96Å
480	L	91.6	Very high	91.8	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	29%	0.286	C	S	.	.			trans	-63.4	143.1	168.3	-75.1	161.4	0	0	0	110	W478 D482 S483 F900 Y904	W478-L480 HydrophobicContact CH2-CD2 3.84Å; W478-L480 HydrophobicContact CH2-CG 4.28Å; W478-L480 HydrophobicContact CZ3-CD2 4.23Å; W478-L480 HydrophobicContact CZ3-CG 4.24Å; L480-D482 PolarHBondContact O-N 2.83Å; L480-S483 VanDerWaalsContact O-CB 3.3Å; L480-S483 WeakPolarHBondContact O-CB 3.26Å; L480-S483 PolarHBondContact O-N 3.39Å; L480-S483 VanDerWaalsContact O-N 3.08Å; L480-S483 PolarHBondContact O-OG 2.94Å; L480-F900 HydrophobicContact CD2-CE1 4.29Å; L480-F900 HydrophobicContact CD2-CZ 4.15Å; L480-Y904 HydrophobicContact CD1-CD1 3.52Å; L480-Y904 HydrophobicContact CD1-CE1 4.16Å; L480-Y904 HydrophobicContact CD1-CG 3.9Å; L480-Y904 HydrophobicContact CG-CD1 4.38Å
481	P	89.9	Confident	91.7	Very high	51 Å²	51	52.5 Å²	52.5	33%	0.331	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.6	172.4	-25.9	34.8	0	0	0	112.8	S483 P491	P481-S483 VanDerWaalsContact C-N 3.29Å; P481-S483 PolarHBondContact O-N 2.89Å; P481-P491 WeakPolarHBondContact O-CG 3.44Å
482	D	86.6	Confident	91.6	Very high	138 Å²	138	50.4 Å²	50.4	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	4.3	-179.2	-47.6	-65.5	0	0	0	114	L480 V484	L480-D482 PolarHBondContact O-N 2.83Å; D482-V484 PolarHBondContact O-N 3Å
483	S	87.8	Confident	91.5	Very high	38 Å²	38	49.7 Å²	49.7	27%	0.266	28%	0.277	S	S	.	.			trans	-64.1	105.4	-178.2	-79.7	0	0	0	0	111.7	L480 P481 R485	L480-S483 VanDerWaalsContact O-CB 3.3Å; L480-S483 WeakPolarHBondContact O-CB 3.26Å; L480-S483 PolarHBondContact O-N 3.39Å; L480-S483 VanDerWaalsContact O-N 3.08Å; L480-S483 PolarHBondContact O-OG 2.94Å; P481-S483 VanDerWaalsContact C-N 3.29Å; P481-S483 PolarHBondContact O-N 2.89Å; S483-R485 PolarHBondContact O-N 2.85Å
484	V	82.6	Confident	91.5	Very high	145 Å²	145	49.8 Å²	49.8	88%	0.879	28%	0.278	S	S	*	.			trans	-61.1	107.3	-178.3	-177.6	0	0	0	0	111	D482	D482-V484 PolarHBondContact O-N 3Å
485	R	85.8	Confident	91.6	Very high	78 Å²	78	48.5 Å²	48.5	29%	0.294	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-103.1	145.6	170.3	-64.4	-53.7	-158.7	129.7	5.9	110	E479 S483 F489	E479-R485 IonicContact OE1-CZ 3.7Å; E479-R485 IonicContact OE1-NE 2.75Å; E479-R485 PolarHBondContact OE1-NE 3.19Å; E479-R485 VanDerWaalsContact OE1-NE 3.11Å; E479-R485 IonicContact OE1-NH2 2.74Å; E479-R485 PolarHBondContact OE1-NH2 3.14Å; E479-R485 IonicContact OE2-CZ 3.65Å; E479-R485 IonicContact OE2-NE 3.42Å; E479-R485 PolarHBondContact OE2-NE 2.91Å; E479-R485 IonicContact OE2-NH2 3.7Å; E479-R485 PolarHBondContact OE2-NH2 2.86Å; S483-R485 PolarHBondContact O-N 2.85Å; R485-F489 HydrophobicContact CB-CB 4.09Å; R485-F489 VanDerWaalsContact CB-O 3.3Å; R485-F489 WeakPolarHBondContact CB-O 3.35Å
486	K	86.1	Confident	91.7	Very high	186 Å²	186	48 Å²	48	81%	0.809	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-73.1	130.7	170.1	-66.5	-177.3	180	179.8	0	108.8	F489	K486-F489 WeakPolarHBondContact O-CB 3.21Å; K486-F489 WeakPolarHBondContact O-CD2 3.45Å; K486-F489 PolarHBondContact O-N 2.81Å
487	A	83.1	Confident	92	Very high	93 Å²	93	47.5 Å²	47.5	77%	0.769	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	141.1	173.1	0	0	0	0	0	110.8
488	P	89.7	Confident	92.2	Very high	43 Å²	43	47.2 Å²	47.2	28%	0.279	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.3	21	8.3	38.3	-38.1	0	0	0	114.5	S329 T330 N331	S329-P488 CarbonylContact C-O 3.51Å; S329-P488 WeakPolarHBondContact CA-O 3.26Å; S329-P488 VanDerWaalsContact CB-O 3.32Å; S329-P488 WeakPolarHBondContact CB-O 3.41Å; S329-P488 WeakPolarHBondContact OG-CG 3.24Å; S329-P488 PolarHBondContact OG-O 3.05Å; T330-P488 PolarHBondContact N-O 3.29Å; T330-P488 WeakPolarHBondContact OG1-CB 3.49Å; T330-P488 PolarHBondContact OG1-O 2.93Å; N331-P488 WeakPolarHBondContact OD1-CB 3.36Å
489	F	93.7	Very high	92.4	Very high	105 Å²	105	46.1 Å²	46.1	46%	0.461	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-86.2	147.8	-178.9	-61.7	-76.8	0	0	0	112.6	V327 P328 R485 K486	V327-F489 HydrophobicContact CB-CD1 4.09Å; V327-F489 HydrophobicContact CG1-CB 4.01Å; V327-F489 HydrophobicContact CG1-CD1 3.95Å; V327-F489 HydrophobicContact CG1-CG 4.33Å; P328-F489 WeakPolarHBondContact O-CA 3.44Å; R485-F489 HydrophobicContact CB-CB 4.09Å; R485-F489 VanDerWaalsContact CB-O 3.3Å; R485-F489 WeakPolarHBondContact CB-O 3.35Å; K486-F489 WeakPolarHBondContact O-CB 3.21Å; K486-F489 WeakPolarHBondContact O-CD2 3.45Å; K486-F489 PolarHBondContact O-N 2.81Å
490	L	94.3	Very high	92.5	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	25%	0.247	C	C	.	.			trans	-118.3	153.1	179.6	-61.6	178.5	0	0	0	110.6	V327 P328 T330 P511 A515 L516	V327-L490 WeakPolarHBondContact CG1-O 3.44Å; P328-L490 HydrophobicContact CB-CB 4.49Å; P328-L490 WeakPolarHBondContact CD-O 3.33Å; P328-L490 HydrophobicContact CG-CB 4.2Å; P328-L490 WeakPolarHBondContact CG-O 2.91Å; P328-L490 PolarHBondContact O-N 2.95Å; T330-L490 HydrophobicContact CG2-CD1 3.98Å; T330-L490 HydrophobicContact CG2-CD2 3.86Å; T330-L490 HydrophobicContact CG2-CG 3.97Å; L490-P511 HydrophobicContact CB-CB 3.84Å; L490-P511 HydrophobicContact CD1-CB 3.62Å; L490-P511 HydrophobicContact CD1-CG 4.05Å; L490-P511 HydrophobicContact CG-CB 4.4Å; L490-A515 HydrophobicContact CD2-CB 4.21Å; L490-A515 WeakPolarHBondContact CD2-O 3.35Å; L490-L516 HydrophobicContact CD1-CB 4.29Å; L490-L516 HydrophobicContact CD1-CD1 4.01Å
491	P	94.6	Very high	92.6	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.058	24%	0.238	C	C	.	.			trans	-67.6	135.2	171.8	29.5	-34.7	0	0	0	110.7	P481 P511 H512 A515	P481-P491 WeakPolarHBondContact O-CG 3.44Å; P491-P511 WeakPolarHBondContact O-CA 3.24Å; P491-H512 PolarHBondContact O-N 2.85Å; P491-A515 HydrophobicContact CG-CB 3.79Å
492	R	95.9	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	-171.2	-163.6	169.4	64.9	-170.2	3	112.4	W321 V322 F323 W326 P328 G476 G477 W478 E479 S509 H512	W321-R492 VanDerWaalsContact CH2-CZ 3.42Å; V322-R492 PolarHBondContact O-NH1 3.4Å; V322-R492 PolarHBondContact O-NH2 3.24Å; F323-R492 PolarHBondContact O-NH1 2.8Å; W326-R492 VanDerWaalsContact O-CD 3.32Å; W326-R492 WeakPolarHBondContact O-CD 3.47Å; W326-R492 PolarHBondContact O-NH1 2.87Å; P328-R492 HydrophobicContact CG-CB 4.05Å; P328-R492 HydrophobicContact CG-CG 4.16Å; G476-R492 PolarHBondContact O-NH2 2.99Å; G477-R492 WeakPolarHBondContact O-CG 3.5Å; G477-R492 PolarHBondContact O-NE 3.37Å; W478-R492 CarbonylContact C-O 3.58Å; E479-R492 HydrophobicContact CG-CB 4.19Å; E479-R492 PolarHBondContact N-O 3.49Å; E479-R492 WeakPolarHBondContact OE2-CB 3.38Å; E479-R492 PolarHBondContact OE2-N 3.42Å; R492-S509 WeakPolarHBondContact CD-OG 3.49Å; R492-H512 PolarHBondContact O-NE2 2.99Å
493	L	96.7	Very high	93.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-45.5	168	172.6	62	0	0	0	110.5	Y411 L438 W472 W478 L510	Y411-L493 HydrophobicContact CD2-CD1 3.64Å; Y411-L493 HydrophobicContact CD2-CD2 4.1Å; Y411-L493 HydrophobicContact CE2-CD1 3.74Å; Y411-L493 HydrophobicContact CE2-CD2 4.41Å; Y411-L493 HydrophobicContact CG-CD2 4.23Å; L438-L493 HydrophobicContact CD1-CD2 4.48Å; L438-L493 HydrophobicContact CD2-CD2 3.82Å; W472-L493 HydrophobicContact CH2-CD2 4.38Å; W478-L493 WeakPolarHBondContact CA-O 3.48Å; W478-L493 VanDerWaalsContact CD1-O 3.27Å; L493-L510 PolarHBondContact N-O 3.14Å
494	G	97.1	Very high	93.4	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	180	-176.4	179.2	0	0	0	0	0	114.3	L510	G494-L510 PolarHBondContact N-O 3.34Å; G494-L510 PolarHBondContact O-N 3.27Å
495	L	98.3	Very high	94.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122	172.2	-63	171.2	0	0	0	108.3	V322 F323 W326 W472 C473 I507 Y508 W564	V322-L495 HydrophobicContact CG2-CD1 4.33Å; F323-L495 HydrophobicContact CB-CD1 4.27Å; F323-L495 HydrophobicContact CD2-CD1 3.43Å; F323-L495 VanDerWaalsContact CD2-CD1 3.43Å; F323-L495 HydrophobicContact CE2-CD1 4.17Å; F323-L495 HydrophobicContact CG-CD1 4.19Å; W326-L495 HydrophobicContact CB-CD2 4.3Å; W326-L495 HydrophobicContact CE3-CD1 3.93Å; W326-L495 HydrophobicContact CE3-CD2 4.06Å; W326-L495 HydrophobicContact CZ3-CD1 4.43Å; W472-L495 CarbonylContact C-O 3.58Å; W472-L495 WeakPolarHBondContact CA-O 3.4Å; C473-L495 HydrophobicContact CB-CB 3.82Å; C473-L495 HydrophobicContact CB-CD1 4.31Å; C473-L495 PolarHBondContact N-O 3.39Å; L495-I507 HydrophobicContact CB-CG2 4.47Å; L495-Y508 WeakPolarHBondContact CA-O 3.41Å; L495-W564 HydrophobicContact CB-CH2 4.38Å
496	L	98.6	Very high	94.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.9	-176	179.8	59.3	0	0	0	110	A413 V436 L470 W472 V498 I507 Y508 L510	A413-L496 HydrophobicContact CB-CD1 4.38Å; A413-L496 HydrophobicContact CB-CD2 3.79Å; V436-L496 HydrophobicContact CG1-CD2 4.09Å; L470-L496 HydrophobicContact CB-CD1 4.22Å; L470-L496 HydrophobicContact CD2-CD1 4.35Å; L470-L496 HydrophobicContact CD2-CD2 4.44Å; W472-L496 HydrophobicContact CD2-CB 4.33Å; W472-L496 HydrophobicContact CD2-CD1 3.89Å; W472-L496 HydrophobicContact CE3-CB 3.96Å; W472-L496 HydrophobicContact CE3-CD1 4.39Å; W472-L496 HydrophobicContact CG-CD1 4.11Å; W472-L496 HydrophobicContact CH2-CB 4.49Å; W472-L496 HydrophobicContact CZ2-CD2 4.41Å; W472-L496 HydrophobicContact CZ3-CB 4.04Å; L496-V498 HydrophobicContact CD2-CG2 4.44Å; L496-V498 HydrophobicContact CG-CG2 4.14Å; L496-I507 WeakPolarHBondContact O-CA 3.48Å; L496-Y508 PolarHBondContact N-O 2.82Å; L496-Y508 PolarHBondContact O-N 2.92Å; L496-L510 HydrophobicContact CB-CD1 3.97Å; L496-L510 HydrophobicContact CB-CD2 4.39Å; L496-L510 HydrophobicContact CD2-CD1 4.48Å; L496-L510 HydrophobicContact CD2-CD2 3.98Å
497	A	98.6	Very high	95.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137	165.8	0	0	0	0	0	110.3	L470 K471 V505 T506 I507 M562 W564 M573	L470-A497 WeakPolarHBondContact CA-O 3.46Å; K471-A497 PolarHBondContact N-O 2.81Å; K471-A497 WeakPolarHBondContact O-CB 3.35Å; K471-A497 PolarHBondContact O-N 2.76Å; A497-V505 HydrophobicContact CB-CG1 3.86Å; A497-T506 WeakPolarHBondContact CA-O 3.3Å; A497-I507 HydrophobicContact CB-CG1 4.27Å; A497-M562 HydrophobicContact CB-CE 4.12Å; A497-M562 HydrophobicContact CB-SD 3.78Å; A497-M562 WeakPolarHBondContact O-CE 3.4Å; A497-W564 HydrophobicContact CB-CE3 4.36Å; A497-W564 HydrophobicContact CB-CZ3 4.01Å; A497-M573 HydrophobicContact CB-CE 3.69Å; A497-M573 HydrophobicContact CB-SD 4.39Å
498	V	98.5	Very high	96	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	114.3	179.9	-175.2	0	0	0	0	107.9	V436 I467 L470 L496 T500 V505 T506 Y508	V436-V498 HydrophobicContact CG2-CG1 3.96Å; V436-V498 HydrophobicContact CG2-CG2 4.11Å; I467-V498 HydrophobicContact CD1-CG1 4.46Å; I467-V498 HydrophobicContact CG1-CG1 3.92Å; I467-V498 HydrophobicContact CG2-CG1 3.83Å; L470-V498 HydrophobicContact CD2-CB 4.2Å; L470-V498 HydrophobicContact CD2-CG1 3.99Å; L470-V498 HydrophobicContact CD2-CG2 3.76Å; L496-V498 HydrophobicContact CD2-CG2 4.44Å; L496-V498 HydrophobicContact CG-CG2 4.14Å; V498-T500 HydrophobicContact CG1-CG2 4.08Å; V498-V505 CarbonylContact O-C 3.56Å; V498-V505 VanDerWaalsContact O-CA 3.3Å; V498-V505 WeakPolarHBondContact O-CA 3.46Å; V498-T506 PolarHBondContact N-O 2.95Å; V498-T506 PolarHBondContact O-N 2.92Å; V498-Y508 HydrophobicContact CB-CD2 4.43Å; V498-Y508 HydrophobicContact CB-CE2 4.07Å; V498-Y508 HydrophobicContact CG2-CD2 3.71Å; V498-Y508 HydrophobicContact CG2-CE2 3.74Å
499	A	97.3	Very high	96.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.8	176.6	0	0	0	0	0	110.7	I467 W468 Q469 V505 V559 M562	I467-A499 WeakPolarHBondContact CA-O 3.43Å; W468-A499 PolarHBondContact N-O 3.37Å; Q469-A499 HydrophobicContact CB-CB 4.16Å; Q469-A499 PolarHBondContact O-N 2.86Å; A499-V505 HydrophobicContact CB-CG2 4.07Å; A499-V559 HydrophobicContact CB-CB 4.2Å; A499-V559 HydrophobicContact CB-CG1 3.68Å; A499-M562 HydrophobicContact CB-CE 3.73Å; A499-M562 HydrophobicContact CB-CG 4.34Å; A499-M562 HydrophobicContact CB-SD 4.04Å
500	T	95.4	Very high	96.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.9	-170	59.7	0	0	0	0	113.5	K464 F466 I467 V498 S502 G503 V504	K464-T500 HydrophobicContact CB-CG2 4.12Å; K464-T500 VanDerWaalsContact O-CB 3.25Å; K464-T500 WeakPolarHBondContact O-CB 3.23Å; K464-T500 PolarHBondContact O-OG1 2.96Å; F466-T500 WeakPolarHBondContact O-CA 3.32Å; I467-T500 HydrophobicContact CG1-CG2 4.28Å; V498-T500 HydrophobicContact CG1-CG2 4.08Å; T500-S502 PolarHBondContact O-N 3.03Å; T500-S502 PolarHBondContact OG1-OG 2.98Å; T500-G503 PolarHBondContact O-N 3.37Å; T500-V504 PolarHBondContact N-O 2.88Å; T500-V504 VanDerWaalsContact N-O 3.07Å; T500-V504 WeakPolarHBondContact OG1-CG2 3.09Å; T500-V504 PolarHBondContact OG1-O 2.81Å
501	S	94.6	Very high	96.6	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9	179.8	47.5	0	0	0	0	114.8	T429 Y430 F466 G503	T429-S501 VanDerWaalsContact CA-O 3.29Å; T429-S501 WeakPolarHBondContact CA-O 3.41Å; T429-S501 WeakPolarHBondContact CB-O 3.45Å; Y430-S501 PolarHBondContact N-O 2.84Å; Y430-S501 CarbonylContact O-C 3.55Å; F466-S501 WeakPolarHBondContact CD1-OG 3.41Å; F466-S501 VanDerWaalsContact CE1-CB 3.48Å; F466-S501 WeakPolarHBondContact CE1-OG 3.43Å; F466-S501 WeakPolarHBondContact CG-OG 3.26Å; F466-S501 WeakPolarHBondContact CZ-OG 3.35Å; F466-S501 PolarHBondContact N-OG 3.36Å; F466-S501 PolarHBondContact O-N 2.87Å; F466-S501 VanDerWaalsContact O-N 3.1Å; F466-S501 PolarHBondContact O-OG 3.41Å; S501-G503 PolarHBondContact O-N 3.08Å
502	S	92.9	Very high	96.6	Very high	11 Å²	11	3 Å²	3	8%	0.077	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	2.5	163.6	49.3	0	0	0	0	114.6	Y430 K464 T500	Y430-S502 WeakPolarHBondContact O-CA 3.31Å; Y430-S502 WeakPolarHBondContact O-CB 3.4Å; Y430-S502 PolarHBondContact O-N 2.89Å; Y430-S502 VanDerWaalsContact O-N 3.07Å; K464-S502 WeakPolarHBondContact O-CB 3.46Å; K464-S502 PolarHBondContact O-N 2.86Å; K464-S502 PolarHBondContact O-OG 3.01Å; T500-S502 PolarHBondContact O-N 3.03Å; T500-S502 PolarHBondContact OG1-OG 2.98Å
503	G	93.1	Very high	96.5	Very high	11 Å²	11	3.2 Å²	3.2	11%	0.113	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	26.2	175.7	0	0	0	0	0	114.5	T500 S501 G557	T500-G503 PolarHBondContact O-N 3.37Å; S501-G503 PolarHBondContact O-N 3.08Å; G503-G557 WeakPolarHBondContact CA-O 3.42Å
504	V	94.3	Very high	96.2	Very high	17 Å²	17	8.4 Å²	8.4	10%	0.103	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160	179.9	-49.7	0	0	0	0	111.9	K464 T500 T542 K544	K464-V504 HydrophobicContact CD-CG2 4.46Å; T500-V504 PolarHBondContact N-O 2.88Å; T500-V504 VanDerWaalsContact N-O 3.07Å; T500-V504 WeakPolarHBondContact OG1-CG2 3.09Å; T500-V504 PolarHBondContact OG1-O 2.81Å; V504-T542 HydrophobicContact CB-CG2 3.82Å; V504-T542 HydrophobicContact CG1-CG2 4.38Å; V504-T542 HydrophobicContact CG2-CG2 4Å; V504-K544 HydrophobicContact CB-CG 4.38Å; V504-K544 HydrophobicContact CG1-CD 4.12Å; V504-K544 HydrophobicContact CG1-CG 3.82Å
505	V	97.6	Very high	95.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.6	165.1	179.3	0	0	0	0	108.4	A497 V498 A499 T542 L543 V559 M562 V575	A497-V505 HydrophobicContact CB-CG1 3.86Å; V498-V505 CarbonylContact O-C 3.56Å; V498-V505 VanDerWaalsContact O-CA 3.3Å; V498-V505 WeakPolarHBondContact O-CA 3.46Å; A499-V505 HydrophobicContact CB-CG2 4.07Å; V505-T542 CarbonylContact O-C 2.97Å; V505-T542 WeakPolarHBondContact O-CA 3.49Å; V505-L543 HydrophobicContact CB-CB 4.13Å; V505-L543 HydrophobicContact CB-CD1 4.22Å; V505-L543 HydrophobicContact CB-CG 4.24Å; V505-L543 HydrophobicContact CG1-CD1 4.33Å; V505-L543 PolarHBondContact N-O 3.32Å; V505-L543 VanDerWaalsContact N-O 3.11Å; V505-L543 PolarHBondContact O-N 2.85Å; V505-V559 HydrophobicContact CG2-CB 4.45Å; V505-V559 HydrophobicContact CG2-CG1 3.83Å; V505-V559 HydrophobicContact CG2-CG2 4.25Å; V505-M562 HydrophobicContact CG1-SD 3.64Å; V505-M562 HydrophobicContact CG2-SD 4.15Å; V505-V575 HydrophobicContact CG2-CG1 3.65Å; V505-V575 HydrophobicContact CG2-CG2 4.03Å
506	T	97.6	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	173.9	-51.2	0	0	0	0	110.3	K464 A497 V498 Y508	K464-T506 PolarHBondContact NZ-OG1 2.82Å; A497-T506 WeakPolarHBondContact CA-O 3.3Å; V498-T506 PolarHBondContact N-O 2.95Å; V498-T506 PolarHBondContact O-N 2.92Å; T506-Y508 HydrophobicContact CG2-CD1 4.37Å; T506-Y508 HydrophobicContact CG2-CD2 4.05Å; T506-Y508 HydrophobicContact CG2-CE1 3.84Å; T506-Y508 HydrophobicContact CG2-CE2 3.52Å; T506-Y508 HydrophobicContact CG2-CG 4.46Å
507	I	98.4	Very high	94.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.1	173.1	-49.5	-178.8	0	0	0	108.7	W326 L495 L496 A497 V540 I541 L543 W564 M573 L587	W326-I507 HydrophobicContact CH2-CD1 4.34Å; W326-I507 HydrophobicContact CZ3-CD1 4.33Å; W326-I507 HydrophobicContact CZ3-CG2 4.17Å; L495-I507 HydrophobicContact CB-CG2 4.47Å; L496-I507 WeakPolarHBondContact O-CA 3.48Å; A497-I507 HydrophobicContact CB-CG1 4.27Å; I507-V540 PolarHBondContact O-N 2.92Å; I507-I541 HydrophobicContact CB-CG2 4Å; I507-I541 HydrophobicContact CD1-CG2 3.78Å; I507-I541 HydrophobicContact CG1-CG2 4.05Å; I507-I541 PolarHBondContact N-O 3.48Å; I507-L543 HydrophobicContact CD1-CD2 4.43Å; I507-W564 HydrophobicContact CD1-CH2 4.01Å; I507-W564 HydrophobicContact CD1-CZ3 4.33Å; I507-W564 HydrophobicContact CG2-CH2 4.06Å; I507-W564 HydrophobicContact CG2-CZ3 4.4Å; I507-M573 HydrophobicContact CD1-SD 3.7Å; I507-M573 HydrophobicContact CG1-SD 4.42Å; I507-L587 HydrophobicContact CD1-CD1 3.88Å; I507-L587 HydrophobicContact CD1-CD2 3.68Å; I507-L587 HydrophobicContact CD1-CG 4.44Å
508	Y	98	Very high	94.1	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.9	175.9	-59.8	-89.5	0	0	0	110.1	L460 Q462 K464 L495 L496 V498 T506 A537	L460-Y508 HydrophobicContact CD1-CD1 4.35Å; L460-Y508 HydrophobicContact CD1-CE1 4.15Å; L460-Y508 HydrophobicContact CD2-CD1 3.81Å; L460-Y508 HydrophobicContact CD2-CD2 3.75Å; L460-Y508 HydrophobicContact CD2-CE1 4.06Å; L460-Y508 HydrophobicContact CD2-CE2 3.96Å; L460-Y508 HydrophobicContact CD2-CG 3.66Å; Q462-Y508 PolarHBondContact OE1-OH 2.91Å; K464-Y508 PolarHBondContact NZ-OH 3.2Å; L495-Y508 WeakPolarHBondContact CA-O 3.41Å; L496-Y508 PolarHBondContact N-O 2.82Å; L496-Y508 PolarHBondContact O-N 2.92Å; V498-Y508 HydrophobicContact CB-CD2 4.43Å; V498-Y508 HydrophobicContact CB-CE2 4.07Å; V498-Y508 HydrophobicContact CG2-CD2 3.71Å; V498-Y508 HydrophobicContact CG2-CE2 3.74Å; T506-Y508 HydrophobicContact CG2-CD1 4.37Å; T506-Y508 HydrophobicContact CG2-CD2 4.05Å; T506-Y508 HydrophobicContact CG2-CE1 3.84Å; T506-Y508 HydrophobicContact CG2-CE2 3.52Å; T506-Y508 HydrophobicContact CG2-CG 4.46Å; Y508-A537 HydrophobicContact CD1-CB 4.33Å; Y508-A537 WeakPolarHBondContact CE1-O 3.38Å
509	S	97.5	Very high	92.8	Very high	5 Å²	5	17 Å²	17	4%	0.035	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.4	168.6	176.3	0	0	0	0	108.3	W326 P328 R492	W326-S509 PolarHBondContact O-OG 3.22Å; P328-S509 VanDerWaalsContact CD-OG 3.27Å; P328-S509 WeakPolarHBondContact CD-OG 3.17Å; R492-S509 WeakPolarHBondContact CD-OG 3.49Å
510	L	97.6	Very high	91.5	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.7	-176.8	-86.1	59.9	0	0	0	109.3	W333 L438 W472 L493 G494 L496	W333-L510 HydrophobicContact CH2-CD1 4.41Å; W333-L510 HydrophobicContact CH2-CG 4.14Å; W333-L510 HydrophobicContact CZ2-CD1 4.41Å; W333-L510 HydrophobicContact CZ2-CG 4.35Å; L438-L510 HydrophobicContact CD1-CD2 4.33Å; L438-L510 HydrophobicContact CD2-CD2 4.44Å; W472-L510 HydrophobicContact CH2-CD2 3.55Å; W472-L510 HydrophobicContact CZ2-CD2 4.42Å; W472-L510 HydrophobicContact CZ3-CD2 4.03Å; L493-L510 PolarHBondContact N-O 3.14Å; G494-L510 PolarHBondContact N-O 3.34Å; G494-L510 PolarHBondContact O-N 3.27Å; L496-L510 HydrophobicContact CB-CD1 3.97Å; L496-L510 HydrophobicContact CB-CD2 4.39Å; L496-L510 HydrophobicContact CD2-CD1 4.48Å; L496-L510 HydrophobicContact CD2-CD2 3.98Å
511	P	96.3	Very high	90	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	161.7	168.6	33.1	-34.8	0	0	0	110.8	P328 W333 Y458 L490 P491 L516	P328-P511 HydrophobicContact CB-CB 4Å; P328-P511 HydrophobicContact CB-CG 4.48Å; P328-P511 HydrophobicContact CG-CB 3.97Å; W333-P511 HydrophobicContact CZ2-CG 4.34Å; Y458-P511 PolarHBondContact OH-O 3.38Å; Y458-P511 VanDerWaalsContact OH-O 3.08Å; L490-P511 HydrophobicContact CB-CB 3.84Å; L490-P511 HydrophobicContact CD1-CB 3.62Å; L490-P511 HydrophobicContact CD1-CG 4.05Å; L490-P511 HydrophobicContact CG-CB 4.4Å; P491-P511 WeakPolarHBondContact O-CA 3.24Å; P511-L516 HydrophobicContact CB-CB 4.43Å; P511-L516 HydrophobicContact CG-CB 3.9Å; P511-L516 HydrophobicContact CG-CD1 4.33Å; P511-L516 HydrophobicContact CG-CD2 3.94Å; P511-L516 HydrophobicContact CG-CG 4.28Å
512	H	95.3	Very high	88.4	Confident	3 Å²	3	30 Å²	30	1%	0.014	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-61.3	140.4	163.9	-78.9	-70	0	0	0	111.2	W478 E479 P491 R492 D514 A515 L516	W478-H512 AromaticContact NE1-CE1 3.68Å; E479-H512 PolarHBondContact O-NE2 2.96Å; P491-H512 PolarHBondContact O-N 2.85Å; R492-H512 PolarHBondContact O-NE2 2.99Å; H512-D514 PolarHBondContact O-N 3.42Å; H512-A515 PolarHBondContact O-N 3.13Å; H512-L516 PolarHBondContact O-N 3.2Å
513	P	92.9	Very high	86.8	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-45.3	-58.8	178.4	-37.3	42.5	0	0	0	115	Y411 V457 A515 L516 L517	Y411-P513 HydrophobicContact CE1-CG 3.63Å; V457-P513 HydrophobicContact CG1-CB 3.5Å; V457-P513 HydrophobicContact CG1-CG 3.71Å; P513-A515 PolarHBondContact O-N 3.38Å; P513-L516 PolarHBondContact O-N 3.11Å; P513-L517 WeakPolarHBondContact O-CB 3.36Å; P513-L517 WeakPolarHBondContact O-CG 3.12Å; P513-L517 PolarHBondContact O-N 2.85Å
514	D	90.1	Very high	85.2	Confident	110 Å²	110	37.7 Å²	37.7	59%	0.588	20%	0.204	S	C	*	.	H	α-helix	trans	-62.5	-35.5	-170.1	-51.3	-53	0	0	0	111.6	H512 S518	H512-D514 PolarHBondContact O-N 3.42Å; D514-S518 WeakPolarHBondContact O-CB 3.45Å; D514-S518 PolarHBondContact O-N 3.3Å; D514-S518 PolarHBondContact O-OG 3.35Å
515	A	90.3	Very high	83.4	Confident	19 Å²	19	42.1 Å²	42.1	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-33.1	177.9	0	0	0	0	0	113.1	L490 P491 H512 P513	L490-A515 HydrophobicContact CD2-CB 4.21Å; L490-A515 WeakPolarHBondContact CD2-O 3.35Å; P491-A515 HydrophobicContact CG-CB 3.79Å; H512-A515 PolarHBondContact O-N 3.13Å; P513-A515 PolarHBondContact O-N 3.38Å
516	L	90.3	Very high	81.1	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-74.4	-49.7	172.8	-178.4	63.6	0	0	0	110.8	W333 Y458 L490 P511 H512 P513 N519 T520 Y535	W333-L516 HydrophobicContact CB-CD1 3.98Å; W333-L516 HydrophobicContact CD2-CD1 4.48Å; W333-L516 HydrophobicContact CD2-CD2 4.2Å; W333-L516 HydrophobicContact CE3-CD2 3.71Å; W333-L516 HydrophobicContact CG-CD1 4.17Å; W333-L516 HydrophobicContact CZ3-CD2 4.18Å; Y458-L516 HydrophobicContact CD1-CD2 4.05Å; Y458-L516 HydrophobicContact CE1-CD2 4.01Å; L490-L516 HydrophobicContact CD1-CB 4.29Å; L490-L516 HydrophobicContact CD1-CD1 4.01Å; P511-L516 HydrophobicContact CB-CB 4.43Å; P511-L516 HydrophobicContact CG-CB 3.9Å; P511-L516 HydrophobicContact CG-CD1 4.33Å; P511-L516 HydrophobicContact CG-CD2 3.94Å; P511-L516 HydrophobicContact CG-CG 4.28Å; H512-L516 PolarHBondContact O-N 3.2Å; P513-L516 PolarHBondContact O-N 3.11Å; L516-N519 PolarHBondContact O-N 3.32Å; L516-T520 PolarHBondContact O-N 3.4Å; L516-T520 PolarHBondContact O-OG1 2.99Å; L516-Y535 HydrophobicContact CD2-CD2 4.22Å; L516-Y535 HydrophobicContact CD2-CE2 3.9Å
517	L	85.7	Confident	79.1	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-42.7	-173.9	-64.6	176.4	0	0	0	112.6	V457 P513 N519 T520 K521 P533	V457-L517 HydrophobicContact CG1-CD1 4.15Å; P513-L517 WeakPolarHBondContact O-CB 3.36Å; P513-L517 WeakPolarHBondContact O-CG 3.12Å; P513-L517 PolarHBondContact O-N 2.85Å; L517-N519 PolarHBondContact O-N 2.8Å; L517-T520 PolarHBondContact O-N 3.05Å; L517-K521 WeakPolarHBondContact O-CG 3.3Å; L517-K521 PolarHBondContact O-N 3.03Å; L517-P533 HydrophobicContact CD2-CG 3.57Å
518	S	82.4	Confident	77	Confident	67 Å²	67	60.4 Å²	60.4	47%	0.469	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-43.6	176.5	55.9	0	0	0	0	112.2	D514 T520 K521 L522	D514-S518 WeakPolarHBondContact O-CB 3.45Å; D514-S518 PolarHBondContact O-N 3.3Å; D514-S518 PolarHBondContact O-OG 3.35Å; S518-T520 PolarHBondContact O-N 3.16Å; S518-K521 PolarHBondContact O-N 2.97Å; S518-L522 WeakPolarHBondContact O-CG 3.46Å; S518-L522 PolarHBondContact O-N 3.46Å; S518-L522 VanDerWaalsContact O-N 3.12Å
519	N	72	Confident	75	Confident	53 Å²	53	66.2 Å²	66.2	28%	0.283	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-38.5	175.1	-170.1	91.7	0	0	0	111.9	T330 L516 L517 L522 T523	T330-N519 HydrophobicContact CG2-CB 4.26Å; T330-N519 WeakPolarHBondContact CG2-ND2 3.36Å; L516-N519 PolarHBondContact O-N 3.32Å; L517-N519 PolarHBondContact O-N 2.8Å; N519-L522 PolarHBondContact O-N 3.37Å; N519-T523 PolarHBondContact O-N 2.7Å; N519-T523 VanDerWaalsContact O-N 3.16Å; N519-T523 PolarHBondContact O-OG1 3.46Å
520	T	68.7	Low	73.2	Confident	17 Å²	17	74.3 Å²	74.3	10%	0.104	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-39.3	175.2	-57.6	0	0	0	0	112.5	L516 L517 S518 L522 T523 H524 Y535	L516-T520 PolarHBondContact O-N 3.4Å; L516-T520 PolarHBondContact O-OG1 2.99Å; L517-T520 PolarHBondContact O-N 3.05Å; S518-T520 PolarHBondContact O-N 3.16Å; T520-L522 VanDerWaalsContact C-N 3.31Å; T520-L522 PolarHBondContact O-N 3.06Å; T520-T523 PolarHBondContact O-N 3.49Å; T520-T523 PolarHBondContact O-OG1 3.07Å; T520-T523 VanDerWaalsContact O-OG1 3.06Å; T520-H524 PolarHBondContact O-N 3.4Å; T520-Y535 PolarHBondContact OG1-OH 2.94Å
521	K	65.1	Low	71.9	Confident	107 Å²	107	80.9 Å²	80.9	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-31.1	175	-69.8	-168.1	-179.7	-162.3	0	112.9	L517 S518 D529	L517-K521 WeakPolarHBondContact O-CG 3.3Å; L517-K521 PolarHBondContact O-N 3.03Å; S518-K521 PolarHBondContact O-N 2.97Å; K521-D529 WeakPolarHBondContact CE-OD1 3.35Å; K521-D529 IonicContact NZ-OD1 2.75Å; K521-D529 PolarHBondContact NZ-OD1 3.36Å; K521-D529 IonicContact NZ-OD2 3.18Å; K521-D529 PolarHBondContact NZ-OD2 3.22Å
522	L	61.1	Low	71.2	Confident	147 Å²	147	82.5 Å²	82.5	77%	0.77	43%	0.427	S	S	*	.	H	α-helix	trans	-69.7	-31.3	172.7	-71.2	170	0	0	0	113	S518 N519 T520	S518-L522 WeakPolarHBondContact O-CG 3.46Å; S518-L522 PolarHBondContact O-N 3.46Å; S518-L522 VanDerWaalsContact O-N 3.12Å; N519-L522 PolarHBondContact O-N 3.37Å; T520-L522 VanDerWaalsContact C-N 3.31Å; T520-L522 PolarHBondContact O-N 3.06Å
523	T	59.3	Low	71.1	Confident	78 Å²	78	83.3 Å²	83.3	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-89.9	-29.8	178.9	55.6	0	0	0	0	113.9	N519 T520	N519-T523 PolarHBondContact O-N 2.7Å; N519-T523 VanDerWaalsContact O-N 3.16Å; N519-T523 PolarHBondContact O-OG1 3.46Å; T520-T523 PolarHBondContact O-N 3.49Å; T520-T523 PolarHBondContact O-OG1 3.07Å; T520-T523 VanDerWaalsContact O-OG1 3.06Å
524	H	58.3	Low	71.2	Confident	106 Å²	106	83.2 Å²	83.2	49%	0.491	43%	0.431	S	S	.	.			trans	-139	79.7	-175.9	-62.4	-61.8	0	0	0	111.1	T520 E526	T520-H524 PolarHBondContact O-N 3.4Å; H524-E526 VanDerWaalsContact C-N 3.27Å; H524-E526 PolarHBondContact O-N 2.98Å
525	P	56.7	Low	71.4	Confident	110 Å²	110	78 Å²	78	71%	0.714	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.7	-175.3	30	-36.3	0	0	0	114.6
526	E	50.7	Low	71.7	Confident	188 Å²	188	80.9 Å²	80.9	88%	0.879	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2.1	-177.1	-59.8	-178.3	153.2	0	0	113.8	H524	H524-E526 VanDerWaalsContact C-N 3.27Å; H524-E526 PolarHBondContact O-N 2.98Å
527	R	54.8	Low	71.8	Confident	76 Å²	76	81.2 Å²	81.2	29%	0.287	42%	0.416	S	S	.	.			trans	-78.8	122.9	-175.5	-165.1	178.9	-164.8	171.5	7.1	111.3	D529	R527-D529 PolarHBondContact O-N 3.21Å
528	N	53.1	Low	72.2	Confident	121 Å²	121	85.2 Å²	85.2	65%	0.647	43%	0.428	S	S	*	.			trans	-58.3	125.9	174.5	-83.8	-18.5	0	0	0	111.8	E530	N528-E530 PolarHBondContact O-N 2.93Å
529	D	56.4	Low	72.8	Confident	125 Å²	125	82.7 Å²	82.7	67%	0.668	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-8	179.6	-94.1	-40.8	0	0	0	114.1	K521 R527 K531	K521-D529 WeakPolarHBondContact CE-OD1 3.35Å; K521-D529 IonicContact NZ-OD1 2.75Å; K521-D529 PolarHBondContact NZ-OD1 3.36Å; K521-D529 IonicContact NZ-OD2 3.18Å; K521-D529 PolarHBondContact NZ-OD2 3.22Å; R527-D529 PolarHBondContact O-N 3.21Å; D529-K531 PolarHBondContact O-N 2.83Å
530	E	59.3	Low	73.9	Confident	175 Å²	175	82.2 Å²	82.2	82%	0.818	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.9	-174.6	-62.4	-173.9	150.9	0	0	114.8	N528	N528-E530 PolarHBondContact O-N 2.93Å
531	K	70.9	Confident	75.3	Confident	144 Å²	144	81.4 Å²	81.4	63%	0.626	41%	0.407	S	S	*	.	S	Bend	trans	-115.8	131	-176.5	-71.7	-172.2	178	-177.2	0	111.6	D529	D529-K531 PolarHBondContact O-N 2.83Å
532	P	82.2	Confident	76.7	Confident	34 Å²	34	76.9 Å²	76.9	22%	0.221	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64.3	127.5	-177.9	25.6	-33.6	0	0	0	110.9	F374 L456 I534	F374-P532 HydrophobicContact CD2-CG 3.96Å; L456-P532 HydrophobicContact CB-CB 4.13Å; L456-P532 HydrophobicContact CB-CG 4.25Å; L456-P532 HydrophobicContact CD2-CB 4.11Å; L456-P532 HydrophobicContact CD2-CG 3.79Å; L456-P532 HydrophobicContact CG-CB 3.78Å; L456-P532 HydrophobicContact CG-CG 3.99Å; L456-P532 WeakPolarHBondContact O-CB 3.48Å; P532-I534 PolarHBondContact O-N 3.07Å
533	P	91.9	Very high	78.4	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.123	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.5	128.9	-172.9	26.9	-35.6	0	0	0	112.1	V457 Y458 G459 L517 Y535	V457-P533 WeakPolarHBondContact O-CD 3.46Å; Y458-P533 WeakPolarHBondContact CA-O 3.19Å; Y458-P533 VanDerWaalsContact CB-O 3.25Å; Y458-P533 WeakPolarHBondContact CB-O 3.49Å; G459-P533 PolarHBondContact N-O 2.97Å; L517-P533 HydrophobicContact CD2-CG 3.57Å; P533-Y535 HydrophobicContact CB-CE2 3.68Å; P533-Y535 HydrophobicContact CG-CE2 3.85Å
534	I	95.3	Very high	80	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.6	173.4	-45.8	-59.5	0	0	0	109.1	V336 L341 L345 L435 G459 A461 P532	V336-I534 HydrophobicContact CB-CB 4.39Å; V336-I534 HydrophobicContact CB-CG2 4.44Å; V336-I534 HydrophobicContact CG2-CB 4.33Å; V336-I534 HydrophobicContact CG2-CG2 3.93Å; V336-I534 PolarHBondContact N-O 3.26Å; L341-I534 HydrophobicContact CD1-CB 3.74Å; L341-I534 HydrophobicContact CD1-CG1 3.53Å; L341-I534 HydrophobicContact CG-CG1 4.36Å; L345-I534 HydrophobicContact CD2-CD1 4.08Å; L345-I534 HydrophobicContact CD2-CG1 4.04Å; L435-I534 HydrophobicContact CD1-CD1 4.27Å; L435-I534 HydrophobicContact CD1-CG2 3.78Å; G459-I534 WeakPolarHBondContact O-CA 3.21Å; A461-I534 HydrophobicContact CB-CG2 3.81Å; P532-I534 PolarHBondContact O-N 3.07Å
535	Y	95.8	Very high	81.6	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.5	-179.8	-60	-88.7	0	0	0	111.6	W333 E334 P335 Y458 G459 L460 A461 L516 T520 P533	W333-Y535 HydrophobicContact CB-CD1 4.5Å; W333-Y535 HydrophobicContact CE3-CD2 4.2Å; W333-Y535 AromaticContact CE3-CG 3.95Å; W333-Y535 HydrophobicContact CE3-CG 3.95Å; E334-Y535 CarbonylContact O-C 3.57Å; E334-Y535 VanDerWaalsContact O-CA 3.25Å; E334-Y535 WeakPolarHBondContact O-CA 3.3Å; P335-Y535 HydrophobicContact CB-CD1 4.16Å; P335-Y535 HydrophobicContact CB-CE1 4.13Å; Y458-Y535 HydrophobicContact CG-CD2 4.48Å; G459-Y535 PolarHBondContact O-N 3.47Å; L460-Y535 WeakPolarHBondContact CA-O 3.28Å; A461-Y535 PolarHBondContact N-O 2.64Å; L516-Y535 HydrophobicContact CD2-CD2 4.22Å; L516-Y535 HydrophobicContact CD2-CE2 3.9Å; T520-Y535 PolarHBondContact OG1-OH 2.94Å; P533-Y535 HydrophobicContact CB-CE2 3.68Å; P533-Y535 HydrophobicContact CG-CE2 3.85Å
536	K	95.1	Very high	82.9	Confident	78 Å²	78	60.8 Å²	60.8	34%	0.339	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	97.7	164.5	-160.5	167.3	-162.2	151.8	0	107.4	E334 V336 Y344 D463	E334-K536 PolarHBondContact N-O 2.89Å; E334-K536 PolarHBondContact O-N 2.67Å; V336-K536 HydrophobicContact CG2-CB 4.39Å; Y344-K536 PolarHBondContact OH-NZ 3.42Å; D463-K536 VanDerWaalsContact OD2-CE 3.28Å; D463-K536 WeakPolarHBondContact OD2-CE 3.34Å; D463-K536 IonicContact OD2-NZ 3.18Å; D463-K536 PolarHBondContact OD2-NZ 2.98Å
537	A	93.7	Very high	84.2	Confident	12 Å²	12	54.8 Å²	54.8	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.1	-178.9	0	0	0	0	0	111.9	N332 W333 L460 Y508 G539	N332-A537 CarbonylContact O-C 3.59Å; N332-A537 VanDerWaalsContact O-CA 3.26Å; N332-A537 WeakPolarHBondContact O-CA 3.05Å; W333-A537 HydrophobicContact CD2-CB 3.69Å; W333-A537 HydrophobicContact CE3-CB 3.87Å; W333-A537 HydrophobicContact CG-CB 4.27Å; W333-A537 HydrophobicContact CH2-CB 3.91Å; W333-A537 HydrophobicContact CZ2-CB 3.74Å; W333-A537 HydrophobicContact CZ3-CB 3.99Å; L460-A537 HydrophobicContact CD1-CB 3.47Å; L460-A537 VanDerWaalsContact CD1-CB 3.47Å; Y508-A537 HydrophobicContact CD1-CB 4.33Å; Y508-A537 WeakPolarHBondContact CE1-O 3.38Å; A537-G539 PolarHBondContact O-N 3.21Å
538	R	93.7	Very high	85.2	Confident	128 Å²	128	55.6 Å²	55.6	48%	0.483	29%	0.285	S	S	.	.			trans	-77.8	113.6	172.7	-171.4	177.6	-179.1	-173	0.4	110.2	N332 R601	N332-R538 HydrophobicContact CB-CB 4.05Å; N332-R538 PolarHBondContact O-N 3.22Å; R538-R601 PolarHBondContact NH2-O 2.81Å
539	G	94.6	Very high	86.1	Confident	15 Å²	15	59.7 Å²	59.7	16%	0.155	30%	0.297	C	S	.	.			trans	-58.3	140.2	172.3	0	0	0	0	0	112	A537	A537-G539 PolarHBondContact O-N 3.21Å
540	V	95.9	Very high	86.9	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.255	29%	0.289	S	S	.	.	S	Bend	trans	-74.5	-38.8	-176.8	-174	0	0	0	0	110.8	W326 I507	W326-V540 HydrophobicContact CB-CG1 4.01Å; W326-V540 HydrophobicContact CD2-CG1 3.74Å; W326-V540 HydrophobicContact CE3-CG1 4.44Å; W326-V540 HydrophobicContact CG-CG1 3.5Å; I507-V540 PolarHBondContact O-N 2.92Å
541	I	96.7	Very high	87.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145	174.6	-157.6	160.1	0	0	0	110.2	W326 I507 L543 L603 L605	W326-I541 HydrophobicContact CH2-CG2 3.69Å; W326-I541 HydrophobicContact CZ2-CB 4.45Å; W326-I541 HydrophobicContact CZ2-CD1 4.34Å; W326-I541 HydrophobicContact CZ2-CG2 3.94Å; W326-I541 HydrophobicContact CZ3-CG2 4.44Å; I507-I541 HydrophobicContact CB-CG2 4Å; I507-I541 HydrophobicContact CD1-CG2 3.78Å; I507-I541 HydrophobicContact CG1-CG2 4.05Å; I507-I541 PolarHBondContact N-O 3.48Å; I541-L543 HydrophobicContact CG2-CD2 4.44Å; I541-L603 CarbonylContact C-O 3.42Å; I541-L603 WeakPolarHBondContact CA-O 3.36Å; I541-L603 HydrophobicContact CB-CD2 4.42Å; I541-L603 HydrophobicContact CD1-CD2 3.64Å; I541-L603 HydrophobicContact CD1-CG 4.07Å; I541-L603 HydrophobicContact CG1-CB 4.39Å; I541-L603 HydrophobicContact CG1-CD2 3.87Å; I541-L603 HydrophobicContact CG1-CG 3.93Å; I541-L605 HydrophobicContact CD1-CB 3.72Å; I541-L605 HydrophobicContact CD1-CD2 4.07Å; I541-L605 HydrophobicContact CD1-CG 4.38Å; I541-L605 HydrophobicContact CG1-CB 3.85Å
542	T	96.4	Very high	87.7	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	176.1	-55.6	0	0	0	0	109.6	V504 V505 K544 L603 T604 L605	V504-T542 HydrophobicContact CB-CG2 3.82Å; V504-T542 HydrophobicContact CG1-CG2 4.38Å; V504-T542 HydrophobicContact CG2-CG2 4Å; V505-T542 CarbonylContact O-C 2.97Å; V505-T542 WeakPolarHBondContact O-CA 3.49Å; T542-K544 HydrophobicContact CG2-CG 4.1Å; T542-L603 PolarHBondContact N-O 3.33Å; T542-T604 CarbonylContact O-C 3.47Å; T542-T604 VanDerWaalsContact O-CA 3.26Å; T542-T604 WeakPolarHBondContact O-CA 3.4Å; T542-L605 PolarHBondContact O-N 3.29Å
543	L	96.2	Very high	87	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.2	175.8	-43.6	-174.7	0	0	0	108.8	V505 I507 I541 M573 V575 F585 L587 L605	V505-L543 HydrophobicContact CB-CB 4.13Å; V505-L543 HydrophobicContact CB-CD1 4.22Å; V505-L543 HydrophobicContact CB-CG 4.24Å; V505-L543 HydrophobicContact CG1-CD1 4.33Å; V505-L543 PolarHBondContact N-O 3.32Å; V505-L543 VanDerWaalsContact N-O 3.11Å; V505-L543 PolarHBondContact O-N 2.85Å; I507-L543 HydrophobicContact CD1-CD2 4.43Å; I541-L543 HydrophobicContact CG2-CD2 4.44Å; L543-M573 HydrophobicContact CD1-CB 4.25Å; L543-M573 HydrophobicContact CD1-CE 4.46Å; L543-M573 HydrophobicContact CD1-SD 3.89Å; L543-V575 HydrophobicContact CD1-CG2 3.96Å; L543-F585 HydrophobicContact CB-CD1 3.9Å; L543-F585 HydrophobicContact CB-CE1 3.78Å; L543-F585 HydrophobicContact CB-CE2 4.48Å; L543-F585 HydrophobicContact CB-CG 4.3Å; L543-F585 HydrophobicContact CB-CZ 4.1Å; L543-F585 HydrophobicContact CD1-CB 4.24Å; L543-F585 HydrophobicContact CD1-CD1 4.44Å; L543-F585 HydrophobicContact CD1-CD2 4.21Å; L543-F585 HydrophobicContact CD1-CG 4.05Å; L543-F585 HydrophobicContact CD2-CB 4.28Å; L543-F585 HydrophobicContact CD2-CD1 4.02Å; L543-F585 HydrophobicContact CD2-CG 4.25Å; L543-F585 HydrophobicContact CG-CD1 4.34Å; L543-F585 HydrophobicContact CG-CG 4.44Å; L543-L587 HydrophobicContact CD2-CD2 3.82Å; L543-L605 WeakPolarHBondContact CA-O 3.3Å; L543-L605 HydrophobicContact CD2-CB 3.94Å; L543-L605 HydrophobicContact CD2-CD2 3.88Å; L543-L605 HydrophobicContact CD2-CG 4.32Å
544	K	92.6	Very high	85.7	Confident	70 Å²	70	58.9 Å²	58.9	30%	0.304	30%	0.298	S	S	.	.			trans	-133.2	144.1	176.6	-55.8	-168.9	-174.9	174.4	0	110.4	V504 T542 E598 T604 L605 L606 P607	V504-K544 HydrophobicContact CB-CG 4.38Å; V504-K544 HydrophobicContact CG1-CD 4.12Å; V504-K544 HydrophobicContact CG1-CG 3.82Å; T542-K544 HydrophobicContact CG2-CG 4.1Å; K544-E598 WeakPolarHBondContact CE-OE1 3.43Å; K544-E598 IonicContact NZ-OE1 3.28Å; K544-E598 PolarHBondContact NZ-OE1 3.15Å; K544-T604 HydrophobicContact CB-CG2 3.97Å; K544-T604 HydrophobicContact CD-CG2 3.87Å; K544-T604 WeakPolarHBondContact CE-OG1 3.4Å; K544-T604 HydrophobicContact CG-CG2 3.84Å; K544-L605 PolarHBondContact N-O 2.75Å; K544-L606 HydrophobicContact CB-CD2 4.46Å; K544-P607 WeakPolarHBondContact O-CD 3.29Å
545	L	91.1	Very high	84.8	Confident	18 Å²	18	68 Å²	68	9%	0.094	33%	0.332	C	S	.	.	S	Bend	trans	-84.2	135.1	176.6	-175.5	51	0	0	0	111.2	R552 S556 F577 V581 P607	L545-R552 VanDerWaalsContact CD2-NH1 3.28Å; L545-S556 WeakPolarHBondContact CD2-OG 3.21Å; L545-F577 HydrophobicContact CB-CD1 4.19Å; L545-F577 HydrophobicContact CB-CD2 4.37Å; L545-F577 HydrophobicContact CB-CE1 3.78Å; L545-F577 HydrophobicContact CB-CE2 3.98Å; L545-F577 HydrophobicContact CB-CG 4.48Å; L545-F577 HydrophobicContact CB-CZ 3.68Å; L545-F577 HydrophobicContact CD2-CB 4.18Å; L545-F577 HydrophobicContact CD2-CD1 4.15Å; L545-F577 HydrophobicContact CD2-CD2 3.53Å; L545-F577 HydrophobicContact CD2-CE1 4.46Å; L545-F577 HydrophobicContact CD2-CE2 3.89Å; L545-F577 HydrophobicContact CD2-CG 3.68Å; L545-F577 HydrophobicContact CD2-CZ 4.36Å; L545-F577 HydrophobicContact CG-CE2 4.42Å; L545-V581 HydrophobicContact CD1-CG1 4.14Å; L545-V581 HydrophobicContact CD2-CB 3.78Å; L545-V581 HydrophobicContact CD2-CG1 3.65Å; L545-P607 HydrophobicContact CD1-CG 3.81Å
546	G	84.7	Confident	84.1	Confident	15 Å²	15	68.3 Å²	68.3	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.9	-172.8	-178.5	0	0	0	0	0	112.4
547	C	78.8	Confident	83.8	Confident	63 Å²	63	65 Å²	65	43%	0.426	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.8	168.2	76.7	0	0	0	0	110.6	K549 S550 P551	C547-K549 PolarHBondContact O-N 2.94Å; C547-K549 VanDerWaalsContact O-N 3.08Å; C547-S550 PolarHBondContact N-O 3.07Å; C547-S550 VanDerWaalsContact N-O 3.12Å; C547-S550 CarbonylContact O-C 3.59Å; C547-S550 PolarHBondContact O-N 2.57Å; C547-S550 VanDerWaalsContact O-O 3.08Å; C547-S550 PolarHBondContact SG-N 3.34Å; C547-S550 VanDerWaalsContact SG-N 3.45Å; C547-P551 VanDerWaalsContact O-N 3.11Å
548	I	75.9	Confident	83.8	Confident	93 Å²	93	64.4 Å²	64.4	48%	0.477	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.1	-177.3	-63.2	-176.8	0	0	0	113	L593 V596 L606	I548-L593 WeakPolarHBondContact CD1-O 3.4Å; I548-V596 HydrophobicContact CD1-CG2 3.96Å; I548-V596 HydrophobicContact CG1-CG2 3.8Å; I548-L606 HydrophobicContact CG1-CD1 3.83Å
549	K	72.2	Confident	83.9	Confident	206 Å²	206	58.3 Å²	58.3	90%	0.896	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.9	178.4	-63.9	-172.3	176.9	-174.5	0	114.3	C547	C547-K549 PolarHBondContact O-N 2.94Å; C547-K549 VanDerWaalsContact O-N 3.08Å
550	S	72.5	Confident	83.8	Confident	73 Å²	73	58.7 Å²	58.7	51%	0.51	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	76	-179.1	-169.2	0	0	0	0	108.1	C547	C547-S550 PolarHBondContact N-O 3.07Å; C547-S550 VanDerWaalsContact N-O 3.12Å; C547-S550 CarbonylContact O-C 3.59Å; C547-S550 PolarHBondContact O-N 2.57Å; C547-S550 VanDerWaalsContact O-O 3.08Å; C547-S550 PolarHBondContact SG-N 3.34Å; C547-S550 VanDerWaalsContact SG-N 3.45Å
551	P	74.3	Confident	83.9	Confident	78 Å²	78	56.8 Å²	56.8	51%	0.506	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.3	170.4	28.7	-34.5	0	0	0	108.2	C547 E553	C547-P551 VanDerWaalsContact O-N 3.11Å; P551-E553 HydrophobicContact CB-CG 4.26Å; P551-E553 HydrophobicContact CG-CG 4.38Å
552	R	72	Confident	83.9	Confident	92 Å²	92	56.8 Å²	56.8	35%	0.347	28%	0.281	S	S	.	.			trans	-90.3	-7.6	-177.6	-79.5	177.2	147	-151.4	-12.5	114.4	L545 E554 R555 S556 D579	L545-R552 VanDerWaalsContact CD2-NH1 3.28Å; R552-E554 PolarHBondContact O-N 3.28Å; R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 WeakPolarHBondContact O-CG 3.13Å; R552-R555 PolarHBondContact O-N 3.42Å; R552-S556 PolarHBondContact NH1-OG 2.83Å; R552-D579 IonicContact CZ-OD2 3.17Å; R552-D579 IonicContact NH1-OD2 2.77Å; R552-D579 PolarHBondContact NH1-OD2 3.3Å; R552-D579 IonicContact NH2-OD2 3.9Å
553	E	67.7	Low	84	Confident	124 Å²	124	57.5 Å²	57.5	58%	0.579	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	59.2	167.1	-62.4	171.4	171.3	0	0	112.5	P551 R555	P551-E553 HydrophobicContact CB-CG 4.26Å; P551-E553 HydrophobicContact CG-CG 4.38Å; E553-R555 WeakPolarHBondContact O-CG 3.45Å; E553-R555 PolarHBondContact O-N 3.42Å; E553-R555 IonicContact OE2-CZ 3.56Å; E553-R555 IonicContact OE2-NE 3.79Å; E553-R555 IonicContact OE2-NH2 3.61Å; E553-R555 PolarHBondContact OE2-NH2 3.25Å
554	E	65.6	Low	84.1	Confident	114 Å²	114	57.6 Å²	57.6	53%	0.533	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-10.5	-179	-58.8	178.1	-155.8	0	0	116.5	T429 R552 S556 G557	T429-E554 HydrophobicContact CG2-CB 4.4Å; T429-E554 PolarHBondContact OG1-OE2 3.1Å; R552-E554 PolarHBondContact O-N 3.28Å; E554-S556 PolarHBondContact O-N 3.3Å; E554-G557 PolarHBondContact O-N 2.82Å
555	R	75	Confident	84.3	Confident	194 Å²	194	54.3 Å²	54.3	73%	0.732	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-1.7	-176.7	-53	172.7	-153.2	-161.2	7.7	115.9	R552 E553 G557	R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 WeakPolarHBondContact O-CG 3.13Å; R552-R555 PolarHBondContact O-N 3.42Å; E553-R555 WeakPolarHBondContact O-CG 3.45Å; E553-R555 PolarHBondContact O-N 3.42Å; E553-R555 IonicContact OE2-CZ 3.56Å; E553-R555 IonicContact OE2-NE 3.79Å; E553-R555 IonicContact OE2-NH2 3.61Å; E553-R555 PolarHBondContact OE2-NH2 3.25Å; R555-G557 VanDerWaalsContact C-N 3.33Å
556	S	81.8	Confident	84.5	Confident	8 Å²	8	54.4 Å²	54.4	6%	0.056	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.8	168.9	-77.9	0	0	0	0	113.4	L545 R552 E554 Y578 D579	L545-S556 WeakPolarHBondContact CD2-OG 3.21Å; R552-S556 PolarHBondContact NH1-OG 2.83Å; E554-S556 PolarHBondContact O-N 3.3Å; S556-Y578 PolarHBondContact O-N 3.13Å; S556-D579 WeakPolarHBondContact CB-OD2 3.3Å; S556-D579 PolarHBondContact O-N 3.3Å; S556-D579 VanDerWaalsContact O-N 3.12Å; S556-D579 PolarHBondContact OG-OD2 3.21Å
557	G	89.3	Confident	85	Confident	8 Å²	8	54.9 Å²	54.9	8%	0.082	27%	0.27	C	S	.	.			trans	66.9	-162	-179.4	0	0	0	0	0	113.2	G503 E554 R555	G503-G557 WeakPolarHBondContact CA-O 3.42Å; E554-G557 PolarHBondContact O-N 2.82Å; R555-G557 VanDerWaalsContact C-N 3.33Å
558	Q	93.5	Very high	85.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.27	C	S	.	.			trans	-65	153.7	-172.6	-47.1	-163.9	30	0	0	112.9	Y425 V426 Q428 L560 Y578	Y425-Q558 PolarHBondContact O-NE2 2.66Å; V426-Q558 PolarHBondContact O-NE2 2.91Å; Q428-Q558 VanDerWaalsContact O-CD 3.26Å; Q428-Q558 WeakPolarHBondContact O-CG 3.39Å; Q428-Q558 PolarHBondContact O-NE2 3.19Å; Q558-L560 HydrophobicContact CB-CD2 3.99Å; Q558-Y578 PolarHBondContact O-N 2.96Å
559	V	95.3	Very high	86.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.9	164.9	176.1	0	0	0	0	108.5	W468 A499 V505 V575 F577	W468-V559 VanDerWaalsContact CD1-O 3.26Å; A499-V559 HydrophobicContact CB-CB 4.2Å; A499-V559 HydrophobicContact CB-CG1 3.68Å; V505-V559 HydrophobicContact CG2-CB 4.45Å; V505-V559 HydrophobicContact CG2-CG1 3.83Å; V505-V559 HydrophobicContact CG2-CG2 4.25Å; V559-V575 HydrophobicContact CB-CG1 4.36Å; V559-V575 HydrophobicContact CG1-CG1 3.43Å; V559-V575 VanDerWaalsContact CG1-CG1 3.43Å; V559-V575 HydrophobicContact CG2-CG1 3.91Å; V559-F577 HydrophobicContact CG2-CD1 3.72Å; V559-F577 HydrophobicContact CG2-CE1 3.47Å; V559-F577 VanDerWaalsContact CG2-CE1 3.47Å; V559-F577 HydrophobicContact CG2-CZ 4.15Å
560	L	92.9	Very high	87.6	Confident	22 Å²	22	45.1 Å²	45.1	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-24.7	179.2	-55.8	-171.9	0	0	0	112.9	V426 W468 Q558 G576 A617 R619	V426-L560 HydrophobicContact CG1-CD1 4.05Å; V426-L560 HydrophobicContact CG1-CD2 4.42Å; W468-L560 HydrophobicContact CD2-CD2 4.11Å; W468-L560 HydrophobicContact CG-CD2 4.15Å; W468-L560 HydrophobicContact CZ2-CD2 4.16Å; Q558-L560 HydrophobicContact CB-CD2 3.99Å; L560-G576 PolarHBondContact N-O 3.22Å; L560-A617 HydrophobicContact CD1-CB 3.73Å; L560-R619 HydrophobicContact CD1-CG 4.19Å
561	S	96.7	Very high	88.8	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.5	-179.1	62.2	0	0	0	0	114.2	G576 V618	S561-G576 PolarHBondContact N-O 2.9Å; S561-G576 PolarHBondContact O-N 3.05Å; S561-V618 WeakPolarHBondContact CB-O 3.32Å; S561-V618 PolarHBondContact OG-O 3.11Å
562	M	97.9	Very high	89.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.3	170	57.8	168.5	173.7	0	0	111.2	Q469 K471 A497 A499 V505 M573 A574 V575	Q469-M562 HydrophobicContact CB-CE 4.01Å; Q469-M562 HydrophobicContact CG-CE 4.1Å; Q469-M562 HydrophobicContact CG-CG 4.46Å; Q469-M562 PolarHBondContact NE2-O 3.28Å; Q469-M562 WeakPolarHBondContact O-CE 3.28Å; Q469-M562 PolarHBondContact OE1-O 2.75Å; K471-M562 HydrophobicContact CB-CE 3.98Å; K471-M562 HydrophobicContact CB-SD 4.38Å; K471-M562 HydrophobicContact CG-CE 4.28Å; K471-M562 HydrophobicContact CG-CG 4.38Å; A497-M562 HydrophobicContact CB-CE 4.12Å; A497-M562 HydrophobicContact CB-SD 3.78Å; A497-M562 WeakPolarHBondContact O-CE 3.4Å; A499-M562 HydrophobicContact CB-CE 3.73Å; A499-M562 HydrophobicContact CB-CG 4.34Å; A499-M562 HydrophobicContact CB-SD 4.04Å; V505-M562 HydrophobicContact CG1-SD 3.64Å; V505-M562 HydrophobicContact CG2-SD 4.15Å; M562-M573 HydrophobicContact CB-CE 4.5Å; M562-M573 HydrophobicContact SD-CE 3.96Å; M562-A574 VanDerWaalsContact CA-O 3.25Å; M562-A574 WeakPolarHBondContact CA-O 3.28Å; M562-V575 HydrophobicContact CB-CG2 4.27Å
563	D	98.2	Very high	91.1	Very high	25 Å²	25	35.4 Å²	35.4	13%	0.134	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.9	170.8	-168	29.3	0	0	0	111.1	M573 A574 L621 V622 F623	D563-M573 WeakPolarHBondContact O-CA 3.43Å; D563-A574 PolarHBondContact N-O 2.89Å; D563-A574 PolarHBondContact O-N 3.2Å; D563-L621 HydrophobicContact CB-CD1 3.59Å; D563-V622 WeakPolarHBondContact OD2-CA 3.4Å; D563-F623 HydrophobicContact CB-CD2 4.11Å; D563-F623 WeakPolarHBondContact OD2-CD2 3.31Å; D563-F623 PolarHBondContact OD2-N 3.4Å
564	W	97.5	Very high	92.6	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.011	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.1	-173.4	-157	-52.8	0	0	0	109.4	F323 C473 P474 L495 A497 I507 P566 H570 M573 L587	F323-W564 AromaticContact CE2-CZ2 3.99Å; F323-W564 HydrophobicContact CE2-CZ2 3.99Å; F323-W564 HydrophobicContact CZ-CZ2 4.4Å; C473-W564 HydrophobicContact CB-CD2 4.19Å; C473-W564 HydrophobicContact CB-CE3 4.24Å; C473-W564 HydrophobicContact CB-CH2 3.71Å; C473-W564 HydrophobicContact CB-CZ2 3.62Å; C473-W564 HydrophobicContact CB-CZ3 4.01Å; P474-W564 HydrophobicContact CG-CB 4.23Å; P474-W564 HydrophobicContact CG-CG 4.33Å; L495-W564 HydrophobicContact CB-CH2 4.38Å; A497-W564 HydrophobicContact CB-CE3 4.36Å; A497-W564 HydrophobicContact CB-CZ3 4.01Å; I507-W564 HydrophobicContact CD1-CH2 4.01Å; I507-W564 HydrophobicContact CD1-CZ3 4.33Å; I507-W564 HydrophobicContact CG2-CH2 4.06Å; I507-W564 HydrophobicContact CG2-CZ3 4.4Å; W564-P566 VanDerWaalsContact O-CD 3.22Å; W564-P566 WeakPolarHBondContact O-CD 3.47Å; W564-H570 PolarHBondContact NE1-O 2.91Å; W564-M573 HydrophobicContact CB-CG 4.46Å; W564-M573 HydrophobicContact CD2-CE 4.38Å; W564-M573 HydrophobicContact CD2-CG 3.8Å; W564-M573 HydrophobicContact CD2-SD 3.92Å; W564-M573 HydrophobicContact CE3-CE 3.8Å; W564-M573 HydrophobicContact CE3-CG 4.09Å; W564-M573 HydrophobicContact CE3-SD 3.57Å; W564-M573 VanDerWaalsContact CE3-SD 3.57Å; W564-M573 HydrophobicContact CG-CG 4Å; W564-M573 HydrophobicContact CH2-SD 4.14Å; W564-M573 HydrophobicContact CZ2-SD 4.45Å; W564-M573 HydrophobicContact CZ3-CE 4.26Å; W564-M573 HydrophobicContact CZ3-SD 3.71Å; W564-L587 HydrophobicContact CH2-CD1 3.86Å; W564-L587 HydrophobicContact CZ2-CD1 3.3Å
565	L	97.4	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.			trans	-54.7	115.5	-178.2	178.9	69.7	0	0	0	111.7	Q567 H570 I572 F623 R628	L565-Q567 WeakPolarHBondContact CD2-O 3.1Å; L565-Q567 HydrophobicContact CG-CB 4.42Å; L565-Q567 PolarHBondContact O-N 2.87Å; L565-H570 PolarHBondContact O-ND1 2.9Å; L565-I572 HydrophobicContact CB-CB 4.12Å; L565-I572 WeakPolarHBondContact CB-O 3.38Å; L565-I572 HydrophobicContact CD2-CB 4.18Å; L565-I572 HydrophobicContact CD2-CD1 4.31Å; L565-I572 HydrophobicContact CD2-CG1 4.24Å; L565-I572 PolarHBondContact N-O 2.84Å; L565-F623 HydrophobicContact CB-CE2 4.46Å; L565-F623 HydrophobicContact CB-CZ 4.44Å; L565-F623 HydrophobicContact CD1-CD1 3.92Å; L565-F623 HydrophobicContact CD1-CE1 4.07Å; L565-F623 HydrophobicContact CD1-CG 4.39Å; L565-R628 HydrophobicContact CD1-CB 3.51Å; L565-R628 HydrophobicContact CD2-CB 4.19Å; L565-R628 HydrophobicContact CG-CB 4.43Å
566	P	95.3	Very high	95.2	Very high	20 Å²	20	14.8 Å²	14.8	13%	0.13	8%	0.08	C	C	.	.	S	Bend	trans	-75.3	-6.1	-175.9	30.1	-37.2	0	0	0	113.8	W564 H570 F623 P625	W564-P566 VanDerWaalsContact O-CD 3.22Å; W564-P566 WeakPolarHBondContact O-CD 3.47Å; P566-H570 PolarHBondContact O-CE1 3.16Å; P566-H570 VanDerWaalsContact O-CE1 3.28Å; P566-F623 HydrophobicContact CG-CB 4.36Å; P566-P625 HydrophobicContact CG-CB 4.45Å
567	Q	94.7	Very high	95.9	Very high	25 Å²	25	14.5 Å²	14.5	12%	0.117	8%	0.078	C	C	.	.	S	Bend	trans	-101.4	140.9	176.2	-62.8	-174.9	-7.8	0	0	111.9	F313 L565 H570 P625 A626	F313-Q567 HydrophobicContact CZ-CG 4.38Å; L565-Q567 WeakPolarHBondContact CD2-O 3.1Å; L565-Q567 HydrophobicContact CG-CB 4.42Å; L565-Q567 PolarHBondContact O-N 2.87Å; Q567-H570 PolarHBondContact O-N 3.15Å; Q567-P625 PolarHBondContact NE2-O 3.47Å; Q567-A626 PolarHBondContact NE2-O 3.3Å
568	K	92.9	Very high	96.1	Very high	96 Å²	96	16.7 Å²	16.7	42%	0.417	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	143.8	175.3	63.4	-166.1	-170.4	-164.3	0	112.5	E316 N317 S319 H570 R628	E316-K568 WeakPolarHBondContact O-CE 3.25Å; E316-K568 PolarHBondContact O-NZ 3.15Å; N317-K568 VanDerWaalsContact O-CB 3.23Å; N317-K568 WeakPolarHBondContact O-CB 3.1Å; N317-K568 WeakPolarHBondContact O-CG 3.25Å; N317-K568 PolarHBondContact O-N 2.91Å; S319-K568 WeakPolarHBondContact OG-CB 3.27Å; K568-H570 VanDerWaalsContact C-N 3.33Å; K568-R628 PolarHBondContact O-NH1 2.74Å
569	P	94.1	Very high	96.1	Very high	61 Å²	61	18.7 Å²	18.7	40%	0.396	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.9	24.4	5.9	36.5	-35.9	0	0	0	114.3	N571	P569-N571 HydrophobicContact CG-CB 4.06Å; P569-N571 PolarHBondContact O-N 3.03Å; P569-N571 VanDerWaalsContact O-N 3.17Å
570	H	96	Very high	96.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.			trans	55	32	-177.5	-45.9	-70.4	0	0	0	113.1	Y318 S319 W564 L565 P566 Q567 K568	Y318-H570 AromaticContact CD1-CE1 3.96Å; S319-H570 PolarHBondContact N-NE2 2.73Å; S319-H570 VanDerWaalsContact N-NE2 3.15Å; W564-H570 PolarHBondContact NE1-O 2.91Å; L565-H570 PolarHBondContact O-ND1 2.9Å; P566-H570 PolarHBondContact O-CE1 3.16Å; P566-H570 VanDerWaalsContact O-CE1 3.28Å; Q567-H570 PolarHBondContact O-N 3.15Å; K568-H570 VanDerWaalsContact C-N 3.33Å
571	N	96.1	Very high	96.2	Very high	22 Å²	22	18.1 Å²	18.1	12%	0.118	9%	0.092	C	C	.	.			trans	-85.3	-8.4	-173.5	71.1	-64.6	0	0	0	114.8	P569 D586 L587 C588 R628	P569-N571 HydrophobicContact CG-CB 4.06Å; P569-N571 PolarHBondContact O-N 3.03Å; P569-N571 VanDerWaalsContact O-N 3.17Å; N571-D586 PolarHBondContact ND2-OD1 3.38Å; N571-D586 CarbonylContact O-C 3.59Å; N571-D586 WeakPolarHBondContact O-CA 3.25Å; N571-L587 WeakPolarHBondContact O-CB 3.31Å; N571-L587 PolarHBondContact O-N 3.29Å; N571-C588 HydrophobicContact CB-CB 4.07Å; N571-C588 VanDerWaalsContact CB-SG 3.55Å; N571-R628 PolarHBondContact OD1-NH2 3.44Å
572	I	97.4	Very high	96.2	Very high	17 Å²	17	18 Å²	18	9%	0.087	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.4	-174.4	-52.7	179.9	0	0	0	110.2	L565 F585 Y608 F623	L565-I572 HydrophobicContact CB-CB 4.12Å; L565-I572 WeakPolarHBondContact CB-O 3.38Å; L565-I572 HydrophobicContact CD2-CB 4.18Å; L565-I572 HydrophobicContact CD2-CD1 4.31Å; L565-I572 HydrophobicContact CD2-CG1 4.24Å; L565-I572 PolarHBondContact N-O 2.84Å; I572-F585 WeakPolarHBondContact CA-O 3.16Å; I572-Y608 HydrophobicContact CG2-CE1 4.42Å; I572-F623 HydrophobicContact CG2-CZ 4.06Å
573	M	98.2	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.4	163.1	-71.8	-173.4	74.6	0	0	110.6	A497 I507 L543 M562 D563 W564 F585 L587	A497-M573 HydrophobicContact CB-CE 3.69Å; A497-M573 HydrophobicContact CB-SD 4.39Å; I507-M573 HydrophobicContact CD1-SD 3.7Å; I507-M573 HydrophobicContact CG1-SD 4.42Å; L543-M573 HydrophobicContact CD1-CB 4.25Å; L543-M573 HydrophobicContact CD1-CE 4.46Å; L543-M573 HydrophobicContact CD1-SD 3.89Å; M562-M573 HydrophobicContact CB-CE 4.5Å; M562-M573 HydrophobicContact SD-CE 3.96Å; D563-M573 WeakPolarHBondContact O-CA 3.43Å; W564-M573 HydrophobicContact CB-CG 4.46Å; W564-M573 HydrophobicContact CD2-CE 4.38Å; W564-M573 HydrophobicContact CD2-CG 3.8Å; W564-M573 HydrophobicContact CD2-SD 3.92Å; W564-M573 HydrophobicContact CE3-CE 3.8Å; W564-M573 HydrophobicContact CE3-CG 4.09Å; W564-M573 HydrophobicContact CE3-SD 3.57Å; W564-M573 VanDerWaalsContact CE3-SD 3.57Å; W564-M573 HydrophobicContact CG-CG 4Å; W564-M573 HydrophobicContact CH2-SD 4.14Å; W564-M573 HydrophobicContact CZ2-SD 4.45Å; W564-M573 HydrophobicContact CZ3-CE 4.26Å; W564-M573 HydrophobicContact CZ3-SD 3.71Å; M573-F585 PolarHBondContact N-O 2.95Å; M573-F585 PolarHBondContact O-N 2.73Å; M573-L587 HydrophobicContact CG-CD1 3.99Å; M573-L587 HydrophobicContact CG-CG 4.46Å; M573-L587 HydrophobicContact SD-CD1 4.08Å; M573-L587 HydrophobicContact SD-CD2 4.45Å
574	A	98.4	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.9	166.4	0	0	0	0	0	108.8	M562 D563 V582 G583 L584 L621 F623 L631	M562-A574 VanDerWaalsContact CA-O 3.25Å; M562-A574 WeakPolarHBondContact CA-O 3.28Å; D563-A574 PolarHBondContact N-O 2.89Å; D563-A574 PolarHBondContact O-N 3.2Å; A574-V582 HydrophobicContact CB-CG1 4.3Å; A574-G583 WeakPolarHBondContact CA-O 3.41Å; A574-L584 HydrophobicContact CB-CD2 3.86Å; A574-L621 HydrophobicContact CB-CD1 3.76Å; A574-L621 HydrophobicContact CB-CD2 4.34Å; A574-F623 HydrophobicContact CB-CE2 3.74Å; A574-F623 HydrophobicContact CB-CZ 3.84Å; A574-L631 HydrophobicContact CB-CD1 3.95Å; A574-L631 HydrophobicContact CB-CD2 4.12Å
575	V	98.4	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.7	-179.6	-174	0	0	0	0	109.2	V505 L543 V559 M562 F577 V582 G583 F585	V505-V575 HydrophobicContact CG2-CG1 3.65Å; V505-V575 HydrophobicContact CG2-CG2 4.03Å; L543-V575 HydrophobicContact CD1-CG2 3.96Å; V559-V575 HydrophobicContact CB-CG1 4.36Å; V559-V575 HydrophobicContact CG1-CG1 3.43Å; V559-V575 VanDerWaalsContact CG1-CG1 3.43Å; V559-V575 HydrophobicContact CG2-CG1 3.91Å; M562-V575 HydrophobicContact CB-CG2 4.27Å; V575-F577 HydrophobicContact CB-CE2 3.78Å; V575-F577 HydrophobicContact CB-CZ 4.08Å; V575-F577 HydrophobicContact CG1-CD2 4.31Å; V575-F577 HydrophobicContact CG1-CE1 4.3Å; V575-F577 HydrophobicContact CG1-CE2 3.61Å; V575-F577 HydrophobicContact CG1-CZ 3.59Å; V575-F577 WeakPolarHBondContact O-CD2 3.41Å; V575-F577 WeakPolarHBondContact O-CE2 3.47Å; V575-V582 CarbonylContact O-C 3.41Å; V575-V582 VanDerWaalsContact O-CA 3.29Å; V575-V582 WeakPolarHBondContact O-CA 3.45Å; V575-G583 PolarHBondContact N-O 3.17Å; V575-G583 PolarHBondContact O-N 3.41Å; V575-F585 HydrophobicContact CB-CD2 4.43Å; V575-F585 HydrophobicContact CB-CE2 3.9Å; V575-F585 HydrophobicContact CG2-CD2 3.93Å; V575-F585 HydrophobicContact CG2-CE2 3.81Å
576	G	97.3	Very high	96.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.1	-179.1	0	0	0	0	0	111.7	L560 S561	L560-G576 PolarHBondContact N-O 3.22Å; S561-G576 PolarHBondContact N-O 2.9Å; S561-G576 PolarHBondContact O-N 3.05Å
577	F	95.5	Very high	96.2	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	163.6	-172.4	-64.2	-96.7	0	0	0	111.7	L545 V559 V575 D579 G580 V581 F585 V618	L545-F577 HydrophobicContact CB-CD1 4.19Å; L545-F577 HydrophobicContact CB-CD2 4.37Å; L545-F577 HydrophobicContact CB-CE1 3.78Å; L545-F577 HydrophobicContact CB-CE2 3.98Å; L545-F577 HydrophobicContact CB-CG 4.48Å; L545-F577 HydrophobicContact CB-CZ 3.68Å; L545-F577 HydrophobicContact CD2-CB 4.18Å; L545-F577 HydrophobicContact CD2-CD1 4.15Å; L545-F577 HydrophobicContact CD2-CD2 3.53Å; L545-F577 HydrophobicContact CD2-CE1 4.46Å; L545-F577 HydrophobicContact CD2-CE2 3.89Å; L545-F577 HydrophobicContact CD2-CG 3.68Å; L545-F577 HydrophobicContact CD2-CZ 4.36Å; L545-F577 HydrophobicContact CG-CE2 4.42Å; V559-F577 HydrophobicContact CG2-CD1 3.72Å; V559-F577 HydrophobicContact CG2-CE1 3.47Å; V559-F577 VanDerWaalsContact CG2-CE1 3.47Å; V559-F577 HydrophobicContact CG2-CZ 4.15Å; V575-F577 HydrophobicContact CB-CE2 3.78Å; V575-F577 HydrophobicContact CB-CZ 4.08Å; V575-F577 HydrophobicContact CG1-CD2 4.31Å; V575-F577 HydrophobicContact CG1-CE1 4.3Å; V575-F577 HydrophobicContact CG1-CE2 3.61Å; V575-F577 HydrophobicContact CG1-CZ 3.59Å; V575-F577 WeakPolarHBondContact O-CD2 3.41Å; V575-F577 WeakPolarHBondContact O-CE2 3.47Å; F577-D579 VanDerWaalsContact C-N 3.27Å; F577-D579 WeakPolarHBondContact CB-OD1 3.37Å; F577-D579 PolarHBondContact O-N 2.86Å; F577-G580 PolarHBondContact O-N 2.86Å; F577-V581 PolarHBondContact N-O 2.86Å; F577-F585 HydrophobicContact CE2-CE2 4.45Å; F577-F585 HydrophobicContact CZ-CZ 4.31Å; F577-V618 PolarHBondContact O-N 2.79Å; F577-V618 VanDerWaalsContact O-N 3.13Å
578	Y	94.8	Very high	96.2	Very high	55 Å²	55	19.4 Å²	19.4	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.9	177.7	-179.8	-99.9	0	0	0	113	V426 N427 S556 Q558 G580 A617	V426-Y578 HydrophobicContact CB-CE2 4.33Å; V426-Y578 HydrophobicContact CG1-CD2 3.86Å; V426-Y578 HydrophobicContact CG1-CE2 3.85Å; V426-Y578 VanDerWaalsContact O-CD2 3.32Å; V426-Y578 WeakPolarHBondContact O-CD2 3.43Å; N427-Y578 HydrophobicContact CB-CE1 3.71Å; N427-Y578 HydrophobicContact CB-CE2 4.35Å; N427-Y578 WeakPolarHBondContact CB-OH 3.37Å; S556-Y578 PolarHBondContact O-N 3.13Å; Q558-Y578 PolarHBondContact O-N 2.96Å; Y578-G580 PolarHBondContact O-N 3.22Å; Y578-A617 HydrophobicContact CD2-CB 3.47Å; Y578-A617 VanDerWaalsContact CD2-CB 3.47Å; Y578-A617 HydrophobicContact CE2-CB 3.83Å; Y578-A617 HydrophobicContact CG-CB 4.27Å; Y578-A617 WeakPolarHBondContact O-CA 3.39Å; Y578-A617 PolarHBondContact O-N 2.75Å; Y578-A617 VanDerWaalsContact O-N 3.14Å
579	D	92.7	Very high	96.3	Very high	42 Å²	42	15.9 Å²	15.9	23%	0.225	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	13.3	176.7	75.1	-7.7	0	0	0	115.5	R552 S556 F577 V581	R552-D579 IonicContact CZ-OD2 3.17Å; R552-D579 IonicContact NH1-OD2 2.77Å; R552-D579 PolarHBondContact NH1-OD2 3.3Å; R552-D579 IonicContact NH2-OD2 3.9Å; S556-D579 WeakPolarHBondContact CB-OD2 3.3Å; S556-D579 PolarHBondContact O-N 3.3Å; S556-D579 VanDerWaalsContact O-N 3.12Å; S556-D579 PolarHBondContact OG-OD2 3.21Å; F577-D579 VanDerWaalsContact C-N 3.27Å; F577-D579 WeakPolarHBondContact CB-OD1 3.37Å; F577-D579 PolarHBondContact O-N 2.86Å; D579-V581 PolarHBondContact O-N 3.14Å; D579-V581 VanDerWaalsContact OD1-CB 3.23Å; D579-V581 WeakPolarHBondContact OD1-CB 3.3Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.45Å; D579-V581 PolarHBondContact OD1-N 2.86Å; D579-V581 VanDerWaalsContact OD1-N 3.13Å
580	G	94.9	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	76.7	1.1	178.6	0	0	0	0	0	114.8	F577 Y578 A613 H614 N616	F577-G580 PolarHBondContact O-N 2.86Å; Y578-G580 PolarHBondContact O-N 3.22Å; G580-A613 PolarHBondContact O-N 3.47Å; G580-H614 WeakPolarHBondContact CA-O 3.17Å; G580-H614 PolarHBondContact O-N 3.04Å; G580-N616 WeakPolarHBondContact CA-O 3.41Å
581	V	95.4	Very high	96	Very high	10 Å²	10	22.6 Å²	22.6	6%	0.061	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141.4	177.4	179.5	0	0	0	0	111.2	L545 F577 D579 I611 L612	L545-V581 HydrophobicContact CD1-CG1 4.14Å; L545-V581 HydrophobicContact CD2-CB 3.78Å; L545-V581 HydrophobicContact CD2-CG1 3.65Å; F577-V581 PolarHBondContact N-O 2.86Å; D579-V581 PolarHBondContact O-N 3.14Å; D579-V581 VanDerWaalsContact OD1-CB 3.23Å; D579-V581 WeakPolarHBondContact OD1-CB 3.3Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.45Å; D579-V581 PolarHBondContact OD1-N 2.86Å; D579-V581 VanDerWaalsContact OD1-N 3.13Å; V581-I611 CarbonylContact C-O 3.56Å; V581-I611 VanDerWaalsContact CA-O 3.27Å; V581-I611 WeakPolarHBondContact CA-O 3.37Å; V581-I611 WeakPolarHBondContact CG1-O 3.5Å; V581-L612 HydrophobicContact CG2-CD1 3.95Å
582	V	96.9	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123	160.8	177.4	0	0	0	0	109.2	A574 V575 L584 S610 I611 A613 V618 L621 L631	A574-V582 HydrophobicContact CB-CG1 4.3Å; V575-V582 CarbonylContact O-C 3.41Å; V575-V582 VanDerWaalsContact O-CA 3.29Å; V575-V582 WeakPolarHBondContact O-CA 3.45Å; V582-L584 HydrophobicContact CG1-CD2 4.4Å; V582-S610 WeakPolarHBondContact O-CA 3.49Å; V582-I611 HydrophobicContact CB-CD1 4.3Å; V582-I611 HydrophobicContact CB-CG1 3.9Å; V582-I611 PolarHBondContact N-O 2.67Å; V582-I611 PolarHBondContact O-N 3.04Å; V582-A613 HydrophobicContact CB-CB 4.4Å; V582-A613 HydrophobicContact CG2-CB 3.81Å; V582-V618 HydrophobicContact CG2-CB 4.49Å; V582-V618 HydrophobicContact CG2-CG1 3.91Å; V582-V618 HydrophobicContact CG2-CG2 4.09Å; V582-L621 HydrophobicContact CG1-CD2 3.95Å; V582-L621 HydrophobicContact CG2-CD2 3.99Å; V582-L631 HydrophobicContact CG1-CD2 4.15Å
583	G	96.4	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.8	170.9	0	0	0	0	0	111.5	A574 V575	A574-G583 WeakPolarHBondContact CA-O 3.41Å; V575-G583 PolarHBondContact N-O 3.17Å; V575-G583 PolarHBondContact O-N 3.41Å
584	L	97.5	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.1	173.7	-56.9	174.3	0	0	0	109	A574 V582 P607 Y608 R609 L631 L645	A574-L584 HydrophobicContact CB-CD2 3.86Å; V582-L584 HydrophobicContact CG1-CD2 4.4Å; L584-P607 CarbonylContact O-C 3.51Å; L584-P607 WeakPolarHBondContact O-CA 3.32Å; L584-P607 VanDerWaalsContact O-CB 3.23Å; L584-P607 WeakPolarHBondContact O-CB 3.49Å; L584-Y608 HydrophobicContact CB-CD1 4.24Å; L584-Y608 HydrophobicContact CB-CE1 3.6Å; L584-Y608 WeakPolarHBondContact O-CD1 3.44Å; L584-Y608 WeakPolarHBondContact O-CE1 3.47Å; L584-Y608 PolarHBondContact O-N 2.75Å; L584-R609 HydrophobicContact CB-CB 4.36Å; L584-R609 HydrophobicContact CD1-CB 4.12Å; L584-R609 PolarHBondContact N-O 3.04Å; L584-L631 HydrophobicContact CD2-CD2 4.39Å; L584-L645 HydrophobicContact CD1-CD2 4.01Å
585	F	97.8	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128	-172.2	-61.9	-98.1	0	0	0	110	L543 I572 M573 V575 F577 L605 P607	L543-F585 HydrophobicContact CB-CD1 3.9Å; L543-F585 HydrophobicContact CB-CE1 3.78Å; L543-F585 HydrophobicContact CB-CE2 4.48Å; L543-F585 HydrophobicContact CB-CG 4.3Å; L543-F585 HydrophobicContact CB-CZ 4.1Å; L543-F585 HydrophobicContact CD1-CB 4.24Å; L543-F585 HydrophobicContact CD1-CD1 4.44Å; L543-F585 HydrophobicContact CD1-CD2 4.21Å; L543-F585 HydrophobicContact CD1-CG 4.05Å; L543-F585 HydrophobicContact CD2-CB 4.28Å; L543-F585 HydrophobicContact CD2-CD1 4.02Å; L543-F585 HydrophobicContact CD2-CG 4.25Å; L543-F585 HydrophobicContact CG-CD1 4.34Å; L543-F585 HydrophobicContact CG-CG 4.44Å; I572-F585 WeakPolarHBondContact CA-O 3.16Å; M573-F585 PolarHBondContact N-O 2.95Å; M573-F585 PolarHBondContact O-N 2.73Å; V575-F585 HydrophobicContact CB-CD2 4.43Å; V575-F585 HydrophobicContact CB-CE2 3.9Å; V575-F585 HydrophobicContact CG2-CD2 3.93Å; V575-F585 HydrophobicContact CG2-CE2 3.81Å; F577-F585 HydrophobicContact CE2-CE2 4.45Å; F577-F585 HydrophobicContact CZ-CZ 4.31Å; F585-L605 HydrophobicContact CB-CD2 4.21Å; F585-L605 HydrophobicContact CD1-CD2 4.48Å; F585-L605 HydrophobicContact CD1-CG 4.21Å; F585-L605 WeakPolarHBondContact CE1-O 3.47Å; F585-P607 HydrophobicContact CD1-CB 4.09Å; F585-P607 HydrophobicContact CD2-CB 4.35Å; F585-P607 HydrophobicContact CE1-CB 3.83Å; F585-P607 VanDerWaalsContact CE1-CD 3.5Å; F585-P607 HydrophobicContact CE1-CG 4.14Å; F585-P607 HydrophobicContact CE2-CB 4.08Å; F585-P607 HydrophobicContact CG-CB 4.35Å; F585-P607 HydrophobicContact CZ-CB 3.83Å; F585-P607 HydrophobicContact CZ-CG 4.08Å
586	D	97	Very high	94.4	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	99.8	172.4	172.4	29.7	0	0	0	109.2	N571 C588 T589 Y608	N571-D586 PolarHBondContact ND2-OD1 3.38Å; N571-D586 CarbonylContact O-C 3.59Å; N571-D586 WeakPolarHBondContact O-CA 3.25Å; D586-C588 PolarHBondContact O-N 3.31Å; D586-C588 PolarHBondContact OD1-N 3.44Å; D586-T589 WeakPolarHBondContact O-CB 3.36Å; D586-T589 WeakPolarHBondContact O-CG2 3.44Å; D586-T589 PolarHBondContact O-N 3.12Å; D586-T589 VanDerWaalsContact O-N 3.09Å; D586-Y608 HydrophobicContact CB-CD1 3.95Å; D586-Y608 HydrophobicContact CB-CE1 4.35Å
587	L	96.9	Very high	94.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.5	-177.3	-59.4	-173.4	0	0	0	112.8	F323 W326 I507 L543 W564 N571 M573 T589 L605	F323-L587 HydrophobicContact CE1-CB 3.47Å; F323-L587 VanDerWaalsContact CE1-CB 3.47Å; F323-L587 HydrophobicContact CE1-CD1 4.34Å; F323-L587 HydrophobicContact CE2-CD1 4.43Å; F323-L587 HydrophobicContact CZ-CB 3.69Å; F323-L587 HydrophobicContact CZ-CD1 3.77Å; F323-L587 HydrophobicContact CZ-CG 4.38Å; W326-L587 HydrophobicContact CH2-CB 3.85Å; W326-L587 HydrophobicContact CH2-CD1 4.18Å; W326-L587 HydrophobicContact CH2-CD2 4.31Å; W326-L587 HydrophobicContact CH2-CG 4.33Å; W326-L587 HydrophobicContact CZ2-CB 4.49Å; W326-L587 HydrophobicContact CZ3-CD1 4.36Å; I507-L587 HydrophobicContact CD1-CD1 3.88Å; I507-L587 HydrophobicContact CD1-CD2 3.68Å; I507-L587 HydrophobicContact CD1-CG 4.44Å; L543-L587 HydrophobicContact CD2-CD2 3.82Å; W564-L587 HydrophobicContact CH2-CD1 3.86Å; W564-L587 HydrophobicContact CZ2-CD1 3.3Å; N571-L587 WeakPolarHBondContact O-CB 3.31Å; N571-L587 PolarHBondContact O-N 3.29Å; M573-L587 HydrophobicContact CG-CD1 3.99Å; M573-L587 HydrophobicContact CG-CG 4.46Å; M573-L587 HydrophobicContact SD-CD1 4.08Å; M573-L587 HydrophobicContact SD-CD2 4.45Å; L587-T589 VanDerWaalsContact C-N 3.33Å; L587-L605 HydrophobicContact CD2-CD2 3.99Å
588	C	94.9	Very high	93.7	Very high	62 Å²	62	49.6 Å²	49.6	42%	0.419	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.5	177.9	-72.9	0	0	0	0	113.6	F323 N571 D586	F323-C588 VanDerWaalsContact CE1-SG 3.59Å; N571-C588 HydrophobicContact CB-CB 4.07Å; N571-C588 VanDerWaalsContact CB-SG 3.55Å; D586-C588 PolarHBondContact O-N 3.31Å; D586-C588 PolarHBondContact OD1-N 3.44Å
589	T	94.7	Very high	93.2	Very high	21 Å²	21	53.3 Å²	53.3	13%	0.129	28%	0.28	C	S	.	.			trans	-63.8	143.1	-171.9	-158.8	0	0	0	0	112.6	D586 L587 S591 L594 R595 L605	D586-T589 WeakPolarHBondContact O-CB 3.36Å; D586-T589 WeakPolarHBondContact O-CG2 3.44Å; D586-T589 PolarHBondContact O-N 3.12Å; D586-T589 VanDerWaalsContact O-N 3.09Å; L587-T589 VanDerWaalsContact C-N 3.33Å; T589-S591 PolarHBondContact OG1-N 2.78Å; T589-L594 HydrophobicContact CG2-CB 4.21Å; T589-L594 HydrophobicContact CG2-CD1 4.32Å; T589-R595 HydrophobicContact CG2-CG 4.12Å; T589-R595 WeakPolarHBondContact O-CD 3.48Å; T589-R595 PolarHBondContact O-NH1 3.05Å; T589-L605 HydrophobicContact CG2-CD1 3.57Å
590	K	92.1	Very high	92.8	Very high	160 Å²	160	56.5 Å²	56.5	70%	0.696	30%	0.297	S	S	*	.			trans	-109	10.9	170.6	-55.4	-160.5	175.7	-149.9	0	112.1	E325 S592	E325-K590 IonicContact OE1-NZ 3.59Å; E325-K590 PolarHBondContact OE1-NZ 3.03Å; K590-S592 PolarHBondContact O-N 2.9Å
591	S	92.6	Very high	92.4	Very high	43 Å²	43	65.4 Å²	65.4	30%	0.301	33%	0.331	S	S	.	.			trans	-70.7	117.3	178.2	-178.1	0	0	0	0	112.1	T589 L593 L594 R595	T589-S591 PolarHBondContact OG1-N 2.78Å; S591-L593 PolarHBondContact O-N 3.27Å; S591-L593 PolarHBondContact OG-N 3.4Å; S591-L594 PolarHBondContact O-N 3.14Å; S591-L594 VanDerWaalsContact O-N 3.1Å; S591-R595 PolarHBondContact O-N 2.87Å
592	S	89.1	Confident	92.1	Very high	98 Å²	98	65.8 Å²	65.8	69%	0.685	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.7	170.2	51.8	0	0	0	0	113.7	K590 L594	K590-S592 PolarHBondContact O-N 2.9Å; S592-L594 VanDerWaalsContact C-N 3.33Å
593	L	89.4	Confident	91.9	Very high	128 Å²	128	67.3 Å²	67.3	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.6	173.4	-59.5	179.4	0	0	0	113.3	I548 S591	I548-L593 WeakPolarHBondContact CD1-O 3.4Å; S591-L593 PolarHBondContact O-N 3.27Å; S591-L593 PolarHBondContact OG-N 3.4Å
594	L	92.6	Very high	91.8	Very high	34 Å²	34	67.4 Å²	67.4	18%	0.178	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-31.2	177.2	-60.3	179.6	0	0	0	112.4	T589 S591 S592 V596 L605 L606	T589-L594 HydrophobicContact CG2-CB 4.21Å; T589-L594 HydrophobicContact CG2-CD1 4.32Å; S591-L594 PolarHBondContact O-N 3.14Å; S591-L594 VanDerWaalsContact O-N 3.1Å; S592-L594 VanDerWaalsContact C-N 3.33Å; L594-V596 PolarHBondContact O-N 2.69Å; L594-L605 HydrophobicContact CB-CD1 3.98Å; L594-L605 WeakPolarHBondContact O-CA 3.33Å; L594-L606 HydrophobicContact CD2-CB 4.36Å; L594-L606 PolarHBondContact O-N 2.88Å
595	R	93	Very high	91.7	Very high	71 Å²	71	67.4 Å²	67.4	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	97.6	177.7	-76.5	174.3	68.3	164.6	3.3	110.8	T589 S591 L603 T604 L605	T589-R595 HydrophobicContact CG2-CG 4.12Å; T589-R595 WeakPolarHBondContact O-CD 3.48Å; T589-R595 PolarHBondContact O-NH1 3.05Å; S591-R595 PolarHBondContact O-N 2.87Å; R595-L603 HydrophobicContact CB-CD1 4.14Å; R595-L603 HydrophobicContact CG-CD1 4.48Å; R595-T604 WeakPolarHBondContact CA-O 3.48Å; R595-L605 HydrophobicContact CG-CD1 3.88Å
596	V	90.8	Very high	91.6	Very high	40 Å²	40	68.1 Å²	68.1	24%	0.242	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138	175.4	-179.8	0	0	0	0	109.3	I548 L594 T604 L606	I548-V596 HydrophobicContact CD1-CG2 3.96Å; I548-V596 HydrophobicContact CG1-CG2 3.8Å; L594-V596 PolarHBondContact O-N 2.69Å; V596-T604 HydrophobicContact CB-CG2 4.48Å; V596-T604 PolarHBondContact N-O 3.15Å; V596-T604 PolarHBondContact O-N 2.83Å; V596-L606 HydrophobicContact CG2-CD1 3.73Å; V596-L606 HydrophobicContact CG2-CG 4.24Å
597	R	90.3	Very high	91.5	Very high	190 Å²	190	66.9 Å²	66.9	72%	0.717	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	121	167.4	178.5	169.4	-72.4	147.1	0	108.8	S602	R597-S602 WeakPolarHBondContact CA-O 3.19Å
598	E	87.3	Confident	91.4	Very high	46 Å²	46	70.7 Å²	70.7	22%	0.215	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-77.9	166.1	179.9	-58.1	-73.8	-158.3	0	0	110.9	K544 D600 R601 S602 T604	K544-E598 WeakPolarHBondContact CE-OE1 3.43Å; K544-E598 IonicContact NZ-OE1 3.28Å; K544-E598 PolarHBondContact NZ-OE1 3.15Å; E598-D600 VanDerWaalsContact C-N 3.28Å; E598-D600 WeakPolarHBondContact CB-OD1 3.27Å; E598-D600 PolarHBondContact O-N 2.76Å; E598-R601 WeakPolarHBondContact O-CA 3.24Å; E598-R601 PolarHBondContact O-N 2.63Å; E598-S602 WeakPolarHBondContact CB-OG 3.49Å; E598-S602 WeakPolarHBondContact CG-OG 3.21Å; E598-S602 PolarHBondContact N-O 2.75Å; E598-T604 WeakPolarHBondContact CG-OG1 3.43Å; E598-T604 WeakPolarHBondContact OE1-CB 3.45Å; E598-T604 PolarHBondContact OE1-OG1 3.35Å
599	P	85.6	Confident	91.4	Very high	132 Å²	132	73.1 Å²	73.1	86%	0.857	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.2	-178.2	-25.9	36	0	0	0	114.5	R601	P599-R601 PolarHBondContact O-N 3.11Å; P599-R601 VanDerWaalsContact O-N 3.15Å
600	D	84.7	Confident	91.3	Very high	109 Å²	109	75 Å²	75	58%	0.583	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	3.8	173.2	73.4	-22.7	0	0	0	113.4	E598 S602	E598-D600 VanDerWaalsContact C-N 3.28Å; E598-D600 WeakPolarHBondContact CB-OD1 3.27Å; E598-D600 PolarHBondContact O-N 2.76Å; D600-S602 VanDerWaalsContact CG-OG 3.29Å; D600-S602 PolarHBondContact O-N 3.44Å; D600-S602 WeakPolarHBondContact OD1-CB 3.32Å; D600-S602 PolarHBondContact OD1-N 3.04Å; D600-S602 PolarHBondContact OD1-OG 3.37Å; D600-S602 VanDerWaalsContact OD2-CB 3.28Å; D600-S602 WeakPolarHBondContact OD2-CB 3.27Å; D600-S602 PolarHBondContact OD2-OG 3.02Å; D600-S602 VanDerWaalsContact OD2-OG 3.13Å
601	R	85.4	Confident	91.3	Very high	188 Å²	188	68 Å²	68	71%	0.709	34%	0.34	S	S	*	.	S	Bend	trans	64.3	13.9	-172.8	-46.3	172.8	178.8	177	-1.1	113.8	R538 E598 P599	R538-R601 PolarHBondContact NH2-O 2.81Å; E598-R601 WeakPolarHBondContact O-CA 3.24Å; E598-R601 PolarHBondContact O-N 2.63Å; P599-R601 PolarHBondContact O-N 3.11Å; P599-R601 VanDerWaalsContact O-N 3.15Å
602	S	89.6	Confident	91.4	Very high	18 Å²	18	72 Å²	72	13%	0.126	36%	0.357	C	S	.	.			trans	-68.9	164.7	167.9	71.3	0	0	0	0	110.9	R597 E598 D600	R597-S602 WeakPolarHBondContact CA-O 3.19Å; E598-S602 WeakPolarHBondContact CB-OG 3.49Å; E598-S602 WeakPolarHBondContact CG-OG 3.21Å; E598-S602 PolarHBondContact N-O 2.75Å; D600-S602 VanDerWaalsContact CG-OG 3.29Å; D600-S602 PolarHBondContact O-N 3.44Å; D600-S602 WeakPolarHBondContact OD1-CB 3.32Å; D600-S602 PolarHBondContact OD1-N 3.04Å; D600-S602 PolarHBondContact OD1-OG 3.37Å; D600-S602 VanDerWaalsContact OD2-CB 3.28Å; D600-S602 WeakPolarHBondContact OD2-CB 3.27Å; D600-S602 PolarHBondContact OD2-OG 3.02Å; D600-S602 VanDerWaalsContact OD2-OG 3.13Å
603	L	93.4	Very high	91.7	Very high	31 Å²	31	67.4 Å²	67.4	16%	0.162	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	-177.7	-175.4	68.7	0	0	0	109.5	I541 T542 R595	I541-L603 CarbonylContact C-O 3.42Å; I541-L603 WeakPolarHBondContact CA-O 3.36Å; I541-L603 HydrophobicContact CB-CD2 4.42Å; I541-L603 HydrophobicContact CD1-CD2 3.64Å; I541-L603 HydrophobicContact CD1-CG 4.07Å; I541-L603 HydrophobicContact CG1-CB 4.39Å; I541-L603 HydrophobicContact CG1-CD2 3.87Å; I541-L603 HydrophobicContact CG1-CG 3.93Å; T542-L603 PolarHBondContact N-O 3.33Å; R595-L603 HydrophobicContact CB-CD1 4.14Å; R595-L603 HydrophobicContact CG-CD1 4.48Å
604	T	94	Very high	92	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.6	170.3	-78.3	0	0	0	0	109.8	T542 K544 R595 V596 E598 L606	T542-T604 CarbonylContact O-C 3.47Å; T542-T604 VanDerWaalsContact O-CA 3.26Å; T542-T604 WeakPolarHBondContact O-CA 3.4Å; K544-T604 HydrophobicContact CB-CG2 3.97Å; K544-T604 HydrophobicContact CD-CG2 3.87Å; K544-T604 WeakPolarHBondContact CE-OG1 3.4Å; K544-T604 HydrophobicContact CG-CG2 3.84Å; R595-T604 WeakPolarHBondContact CA-O 3.48Å; V596-T604 HydrophobicContact CB-CG2 4.48Å; V596-T604 PolarHBondContact N-O 3.15Å; V596-T604 PolarHBondContact O-N 2.83Å; E598-T604 WeakPolarHBondContact CG-OG1 3.43Å; E598-T604 WeakPolarHBondContact OE1-CB 3.45Å; E598-T604 PolarHBondContact OE1-OG1 3.35Å; T604-L606 HydrophobicContact CG2-CD2 3.94Å; T604-L606 HydrophobicContact CG2-CG 4.45Å
605	L	95.8	Very high	92	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128	169.8	-177.7	62	0	0	0	109.9	I541 T542 L543 K544 F585 L587 T589 L594 R595	I541-L605 HydrophobicContact CD1-CB 3.72Å; I541-L605 HydrophobicContact CD1-CD2 4.07Å; I541-L605 HydrophobicContact CD1-CG 4.38Å; I541-L605 HydrophobicContact CG1-CB 3.85Å; T542-L605 PolarHBondContact O-N 3.29Å; L543-L605 WeakPolarHBondContact CA-O 3.3Å; L543-L605 HydrophobicContact CD2-CB 3.94Å; L543-L605 HydrophobicContact CD2-CD2 3.88Å; L543-L605 HydrophobicContact CD2-CG 4.32Å; K544-L605 PolarHBondContact N-O 2.75Å; F585-L605 HydrophobicContact CB-CD2 4.21Å; F585-L605 HydrophobicContact CD1-CD2 4.48Å; F585-L605 HydrophobicContact CD1-CG 4.21Å; F585-L605 WeakPolarHBondContact CE1-O 3.47Å; L587-L605 HydrophobicContact CD2-CD2 3.99Å; T589-L605 HydrophobicContact CG2-CD1 3.57Å; L594-L605 HydrophobicContact CB-CD1 3.98Å; L594-L605 WeakPolarHBondContact O-CA 3.33Å; R595-L605 HydrophobicContact CG-CD1 3.88Å
606	L	95.1	Very high	92	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.073	32%	0.32	C	S	.	.			trans	-95.9	150.7	173.9	-55.6	177	0	0	0	109.8	K544 I548 L594 V596 T604	K544-L606 HydrophobicContact CB-CD2 4.46Å; I548-L606 HydrophobicContact CG1-CD1 3.83Å; L594-L606 HydrophobicContact CD2-CB 4.36Å; L594-L606 PolarHBondContact O-N 2.88Å; V596-L606 HydrophobicContact CG2-CD1 3.73Å; V596-L606 HydrophobicContact CG2-CG 4.24Å; T604-L606 HydrophobicContact CG2-CD2 3.94Å; T604-L606 HydrophobicContact CG2-CG 4.45Å
607	P	95.1	Very high	92.1	Very high	13 Å²	13	63.3 Å²	63.3	8%	0.084	31%	0.308	C	S	.	.			trans	-71.1	141.9	-175	28.6	-34.3	0	0	0	111.8	K544 L545 L584 F585 R609 S610	K544-P607 WeakPolarHBondContact O-CD 3.29Å; L545-P607 HydrophobicContact CD1-CG 3.81Å; L584-P607 CarbonylContact O-C 3.51Å; L584-P607 WeakPolarHBondContact O-CA 3.32Å; L584-P607 VanDerWaalsContact O-CB 3.23Å; L584-P607 WeakPolarHBondContact O-CB 3.49Å; F585-P607 HydrophobicContact CD1-CB 4.09Å; F585-P607 HydrophobicContact CD2-CB 4.35Å; F585-P607 HydrophobicContact CE1-CB 3.83Å; F585-P607 VanDerWaalsContact CE1-CD 3.5Å; F585-P607 HydrophobicContact CE1-CG 4.14Å; F585-P607 HydrophobicContact CE2-CB 4.08Å; F585-P607 HydrophobicContact CG-CB 4.35Å; F585-P607 HydrophobicContact CZ-CB 3.83Å; F585-P607 HydrophobicContact CZ-CG 4.08Å; P607-R609 VanDerWaalsContact C-N 3.32Å; P607-S610 WeakPolarHBondContact CG-OG 3.41Å
608	Y	94.5	Very high	92.5	Very high	84 Å²	84	54.3 Å²	54.3	33%	0.329	27%	0.274	S	S	.	.	S	Bend	trans	-77.8	-21.5	175.4	77.6	-84.8	0	0	0	112.3	I572 L584 D586	I572-Y608 HydrophobicContact CG2-CE1 4.42Å; L584-Y608 HydrophobicContact CB-CD1 4.24Å; L584-Y608 HydrophobicContact CB-CE1 3.6Å; L584-Y608 WeakPolarHBondContact O-CD1 3.44Å; L584-Y608 WeakPolarHBondContact O-CE1 3.47Å; L584-Y608 PolarHBondContact O-N 2.75Å; D586-Y608 HydrophobicContact CB-CD1 3.95Å; D586-Y608 HydrophobicContact CB-CE1 4.35Å
609	R	93.6	Very high	92.8	Very high	113 Å²	113	54.6 Å²	54.6	43%	0.426	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.1	172.1	-74.6	179.7	179.6	-156.2	-7.4	109.6	L584 P607 L645 L648	L584-R609 HydrophobicContact CB-CB 4.36Å; L584-R609 HydrophobicContact CD1-CB 4.12Å; L584-R609 PolarHBondContact N-O 3.04Å; P607-R609 VanDerWaalsContact C-N 3.32Å; R609-L645 PolarHBondContact NH1-O 2.98Å; R609-L648 HydrophobicContact CB-CD1 4.14Å; R609-L648 HydrophobicContact CG-CD1 4.33Å
610	S	93.1	Very high	93.4	Very high	59 Å²	59	48.6 Å²	48.6	41%	0.413	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.7	171	-60.8	0	0	0	0	109.6	V582 P607	V582-S610 WeakPolarHBondContact O-CA 3.49Å; P607-S610 WeakPolarHBondContact CG-OG 3.41Å
611	I	93.6	Very high	94	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.072	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.3	172.3	48.3	174.3	0	0	0	109.8	V581 V582 A613 W643 L648	V581-I611 CarbonylContact C-O 3.56Å; V581-I611 VanDerWaalsContact CA-O 3.27Å; V581-I611 WeakPolarHBondContact CA-O 3.37Å; V581-I611 WeakPolarHBondContact CG1-O 3.5Å; V582-I611 HydrophobicContact CB-CD1 4.3Å; V582-I611 HydrophobicContact CB-CG1 3.9Å; V582-I611 PolarHBondContact N-O 2.67Å; V582-I611 PolarHBondContact O-N 3.04Å; I611-A613 VanDerWaalsContact C-N 3.31Å; I611-A613 HydrophobicContact CD1-CB 4.18Å; I611-A613 HydrophobicContact CG1-CB 4.23Å; I611-A613 PolarHBondContact O-N 2.8Å; I611-W643 HydrophobicContact CD1-CD2 3.65Å; I611-W643 HydrophobicContact CD1-CE3 3.76Å; I611-W643 HydrophobicContact CD1-CG 4.11Å; I611-W643 HydrophobicContact CD1-CH2 4.33Å; I611-W643 HydrophobicContact CD1-CZ2 4.23Å; I611-W643 HydrophobicContact CD1-CZ3 4.1Å; I611-L648 HydrophobicContact CD1-CD2 4.49Å; I611-L648 HydrophobicContact CG2-CB 3.82Å; I611-L648 HydrophobicContact CG2-CD1 3.86Å; I611-L648 HydrophobicContact CG2-CD2 3.84Å; I611-L648 HydrophobicContact CG2-CG 4.05Å
612	L	94.1	Very high	94.6	Very high	126 Å²	126	35.7 Å²	35.7	66%	0.66	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	94.1	161.9	-177.8	63	0	0	0	106.7	V581	V581-L612 HydrophobicContact CG2-CD1 3.95Å
613	A	94.9	Very high	95	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.175	C	C	.	.			trans	-85.1	-38.3	-169.5	0	0	0	0	0	111.3	G580 V582 I611 K641 W643	G580-A613 PolarHBondContact O-N 3.47Å; V582-A613 HydrophobicContact CB-CB 4.4Å; V582-A613 HydrophobicContact CG2-CB 3.81Å; I611-A613 VanDerWaalsContact C-N 3.31Å; I611-A613 HydrophobicContact CD1-CB 4.18Å; I611-A613 HydrophobicContact CG1-CB 4.23Å; I611-A613 PolarHBondContact O-N 2.8Å; A613-K641 WeakPolarHBondContact O-CD 3.09Å; A613-K641 WeakPolarHBondContact O-CE 3.32Å; A613-K641 PolarHBondContact O-NZ 3.05Å; A613-W643 HydrophobicContact CB-CH2 4.22Å; A613-W643 HydrophobicContact CB-CZ2 3.6Å
614	H	95.8	Very high	95.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.169	C	C	.	.			trans	-132.8	159.5	-176	-63.6	-91.7	0	0	0	111	G580 N616 V618 S633 G635 D637 C639	G580-H614 WeakPolarHBondContact CA-O 3.17Å; G580-H614 PolarHBondContact O-N 3.04Å; H614-N616 WeakPolarHBondContact CB-O 3.5Å; H614-N616 PolarHBondContact O-N 2.95Å; H614-V618 HydrophobicContact CB-CG2 4.48Å; H614-S633 WeakPolarHBondContact NE2-CB 3.25Å; H614-S633 PolarHBondContact NE2-OG 3.22Å; H614-G635 PolarHBondContact CE1-N 2.96Å; H614-G635 PolarHBondContact ND1-N 2.95Å; H614-D637 WeakPolarHBondContact CA-OD2 3.37Å; H614-D637 WeakPolarHBondContact CB-OD2 3.29Å; H614-D637 IonicContact CE1-OD1 3.3Å; H614-D637 IonicContact CG-OD1 3.46Å; H614-D637 IonicContact CG-OD2 2.86Å; H614-D637 VanDerWaalsContact ND1-CG 3.25Å; H614-D637 IonicContact ND1-OD1 3.04Å; H614-D637 PolarHBondContact ND1-OD1 3.14Å; H614-D637 IonicContact ND1-OD2 2.86Å; H614-D637 PolarHBondContact ND1-OD2 2.87Å; H614-D637 VanDerWaalsContact ND1-OD2 3.08Å; H614-C639 PolarHBondContact CE1-O 2.95Å
615	D	93.4	Very high	95.1	Very high	135 Å²	135	34.5 Å²	34.5	72%	0.722	17%	0.174	S	C	*	.	S	Bend	trans	-79.9	-7	177.9	-52.5	-47.3	0	0	0	112.6	D637	D615-D637 HydrophobicContact CB-CB 4.25Å
616	N	91.3	Very high	94.7	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-158.8	177.4	-179.2	-169.7	14.2	0	0	0	108.5	G580 H614 E636	G580-N616 WeakPolarHBondContact CA-O 3.41Å; H614-N616 WeakPolarHBondContact CB-O 3.5Å; H614-N616 PolarHBondContact O-N 2.95Å; N616-E636 HydrophobicContact CB-CB 4.01Å; N616-E636 WeakPolarHBondContact ND2-CB 3.4Å; N616-E636 PolarHBondContact ND2-OE2 2.92Å
617	A	94.8	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.			trans	-42.7	135.1	-166.8	0	0	0	0	0	117.2	L560 Y578 R619 G635 E636	L560-A617 HydrophobicContact CD1-CB 3.73Å; Y578-A617 HydrophobicContact CD2-CB 3.47Å; Y578-A617 VanDerWaalsContact CD2-CB 3.47Å; Y578-A617 HydrophobicContact CE2-CB 3.83Å; Y578-A617 HydrophobicContact CG-CB 4.27Å; Y578-A617 WeakPolarHBondContact O-CA 3.39Å; Y578-A617 PolarHBondContact O-N 2.75Å; Y578-A617 VanDerWaalsContact O-N 3.14Å; A617-R619 PolarHBondContact O-N 3.28Å; A617-G635 CarbonylContact O-C 3.42Å; A617-G635 WeakPolarHBondContact O-CA 3.37Å; A617-E636 HydrophobicContact CB-CG 4.2Å; A617-E636 WeakPolarHBondContact CB-OE1 3.26Å; A617-E636 PolarHBondContact O-N 3.2Å
618	V	96.8	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	-86.2	84.6	178.1	-166.7	0	0	0	0	110.5	S561 F577 V582 H614 A620 L621 A634	S561-V618 WeakPolarHBondContact CB-O 3.32Å; S561-V618 PolarHBondContact OG-O 3.11Å; F577-V618 PolarHBondContact O-N 2.79Å; F577-V618 VanDerWaalsContact O-N 3.13Å; V582-V618 HydrophobicContact CG2-CB 4.49Å; V582-V618 HydrophobicContact CG2-CG1 3.91Å; V582-V618 HydrophobicContact CG2-CG2 4.09Å; H614-V618 HydrophobicContact CB-CG2 4.48Å; V618-A620 VanDerWaalsContact C-N 3.33Å; V618-A620 PolarHBondContact O-N 3.35Å; V618-L621 HydrophobicContact CG1-CD2 4.42Å; V618-A634 CarbonylContact C-O 3.55Å
619	R	95.1	Very high	94.5	Very high	52 Å²	52	41.8 Å²	41.8	20%	0.196	22%	0.219	C	C	.	.			trans	-65.3	-28.8	-177.2	-66.3	-172.6	77.2	-167.2	22	114.7	L560 A617 A634 E636 L659 T660 E677	L560-R619 HydrophobicContact CD1-CG 4.19Å; A617-R619 PolarHBondContact O-N 3.28Å; R619-A634 PolarHBondContact N-O 3.37Å; R619-A634 VanDerWaalsContact N-O 3.14Å; R619-E636 HydrophobicContact CG-CG 3.98Å; R619-L659 VanDerWaalsContact NH1-CG 3.33Å; R619-T660 PolarHBondContact NH1-O 2.82Å; R619-E677 IonicContact CZ-OE2 2.75Å; R619-E677 VanDerWaalsContact CZ-OE2 3.25Å; R619-E677 IonicContact NH1-OE2 2.67Å; R619-E677 PolarHBondContact NH1-OE2 3Å; R619-E677 IonicContact NH2-OE2 3.01Å; R619-E677 PolarHBondContact NH2-OE2 3.22Å
620	A	97	Very high	94.6	Very high	6 Å²	6	38.6 Å²	38.6	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.3	180	0	0	0	0	0	112.1	V618 S633 A634 T660 L663	V618-A620 VanDerWaalsContact C-N 3.33Å; V618-A620 PolarHBondContact O-N 3.35Å; A620-S633 CarbonylContact O-C 3.56Å; A620-S633 WeakPolarHBondContact O-CA 3.44Å; A620-A634 PolarHBondContact N-O 3.42Å; A620-A634 PolarHBondContact O-N 3.35Å; A620-T660 HydrophobicContact CB-CG2 4.28Å; A620-L663 HydrophobicContact CB-CB 4.12Å; A620-L663 HydrophobicContact CB-CD1 3.87Å; A620-L663 HydrophobicContact CB-CG 3.72Å
621	L	97.5	Very high	94.7	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.5	168	61.8	81	0	0	0	110.9	D563 A574 V582 V618 L631 T632	D563-L621 HydrophobicContact CB-CD1 3.59Å; A574-L621 HydrophobicContact CB-CD1 3.76Å; A574-L621 HydrophobicContact CB-CD2 4.34Å; V582-L621 HydrophobicContact CG1-CD2 3.95Å; V582-L621 HydrophobicContact CG2-CD2 3.99Å; V618-L621 HydrophobicContact CG1-CD2 4.42Å; L621-L631 HydrophobicContact CD1-CD1 4.37Å; L621-T632 CarbonylContact C-O 3.44Å; L621-T632 VanDerWaalsContact CA-O 3.24Å; L621-T632 WeakPolarHBondContact CA-O 3.5Å
622	V	97.8	Very high	94.9	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	136.2	-179.4	67.2	0	0	0	0	111.5	D563 T632 L663 W665 V672	D563-V622 WeakPolarHBondContact OD2-CA 3.4Å; V622-T632 PolarHBondContact N-O 3.29Å; V622-T632 PolarHBondContact O-N 3.49Å; V622-L663 HydrophobicContact CB-CB 4.34Å; V622-L663 HydrophobicContact CG1-CB 3.91Å; V622-L663 HydrophobicContact CG1-CD1 4.43Å; V622-W665 HydrophobicContact CG1-CB 4.11Å; V622-W665 HydrophobicContact CG2-CB 4.11Å; V622-V672 HydrophobicContact CG1-CG1 4.35Å
623	F	97.5	Very high	95.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	154	170.6	-78.9	-81.9	0	0	0	111.4	D563 L565 P566 I572 A574 P625 L631 L645	D563-F623 HydrophobicContact CB-CD2 4.11Å; D563-F623 WeakPolarHBondContact OD2-CD2 3.31Å; D563-F623 PolarHBondContact OD2-N 3.4Å; L565-F623 HydrophobicContact CB-CE2 4.46Å; L565-F623 HydrophobicContact CB-CZ 4.44Å; L565-F623 HydrophobicContact CD1-CD1 3.92Å; L565-F623 HydrophobicContact CD1-CE1 4.07Å; L565-F623 HydrophobicContact CD1-CG 4.39Å; P566-F623 HydrophobicContact CG-CB 4.36Å; I572-F623 HydrophobicContact CG2-CZ 4.06Å; A574-F623 HydrophobicContact CB-CE2 3.74Å; A574-F623 HydrophobicContact CB-CZ 3.84Å; F623-P625 WeakPolarHBondContact O-CD 3.28Å; F623-L631 HydrophobicContact CD1-CD1 3.95Å; F623-L631 HydrophobicContact CD2-CD1 4.09Å; F623-L631 HydrophobicContact CE1-CD1 4.12Å; F623-L631 HydrophobicContact CE2-CD1 4.23Å; F623-L631 HydrophobicContact CG-CD1 3.95Å; F623-L631 HydrophobicContact CZ-CD1 4.25Å; F623-L645 HydrophobicContact CD1-CD1 4.47Å; F623-L645 HydrophobicContact CE1-CD1 3.74Å
624	C	95.7	Very high	95.2	Very high	7 Å²	7	29 Å²	29	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.5	166.4	-176.8	0	0	0	0	110.2	A626 S627 L630 W665	C624-A626 PolarHBondContact O-N 3.23Å; C624-S627 CarbonylContact O-C 3.55Å; C624-S627 PolarHBondContact O-N 3.31Å; C624-L630 HydrophobicContact CB-CB 3.66Å; C624-L630 PolarHBondContact N-O 2.9Å; C624-W665 HydrophobicContact CB-CD2 3.76Å; C624-W665 HydrophobicContact CB-CE3 3.7Å; C624-W665 HydrophobicContact CB-CH2 3.82Å; C624-W665 HydrophobicContact CB-CZ2 3.87Å; C624-W665 HydrophobicContact CB-CZ3 3.72Å
625	P	93.8	Very high	95.1	Very high	17 Å²	17	29 Å²	29	11%	0.11	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38	176	-26.7	35.7	0	0	0	113	F313 P566 Q567 F623 S627 W665 L667	F313-P625 WeakPolarHBondContact CE2-O 3.48Å; F313-P625 HydrophobicContact CZ-CB 4.12Å; F313-P625 WeakPolarHBondContact CZ-O 3.43Å; P566-P625 HydrophobicContact CG-CB 4.45Å; Q567-P625 PolarHBondContact NE2-O 3.47Å; F623-P625 WeakPolarHBondContact O-CD 3.28Å; P625-S627 VanDerWaalsContact C-N 3.32Å; P625-S627 PolarHBondContact O-N 3.11Å; P625-W665 WeakPolarHBondContact CD-O 3.32Å; P625-W665 VanDerWaalsContact CG-O 3.27Å; P625-W665 WeakPolarHBondContact CG-O 3.39Å; P625-L667 HydrophobicContact CB-CB 4.3Å; P625-L667 HydrophobicContact CB-CD1 3.69Å
626	A	89.3	Confident	95.2	Very high	72 Å²	72	25.3 Å²	25.3	60%	0.595	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.7	178.7	0	0	0	0	0	114.6	Q567 C624	Q567-A626 PolarHBondContact NE2-O 3.3Å; C624-A626 PolarHBondContact O-N 3.23Å
627	S	92.2	Very high	95.3	Very high	29 Å²	29	23.4 Å²	23.4	20%	0.203	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	111.6	-178.5	-179.2	0	0	0	0	114.2	C624 P625 Y629 L630	C624-S627 CarbonylContact O-C 3.55Å; C624-S627 PolarHBondContact O-N 3.31Å; P625-S627 VanDerWaalsContact C-N 3.32Å; P625-S627 PolarHBondContact O-N 3.11Å; S627-Y629 PolarHBondContact O-N 2.73Å; S627-Y629 PolarHBondContact OG-N 3.39Å; S627-L630 PolarHBondContact O-N 2.92Å
628	R	93.6	Very high	95.2	Very high	60 Å²	60	27.7 Å²	27.7	23%	0.226	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-5.6	169.5	70.3	-176.4	-58.5	142	7.3	116.3	L565 K568 N571	L565-R628 HydrophobicContact CD1-CB 3.51Å; L565-R628 HydrophobicContact CD2-CB 4.19Å; L565-R628 HydrophobicContact CG-CB 4.43Å; K568-R628 PolarHBondContact O-NH1 2.74Å; N571-R628 PolarHBondContact OD1-NH2 3.44Å
629	Y	94.1	Very high	95.1	Very high	103 Å²	103	28.2 Å²	28.2	40%	0.404	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-5.4	178	-55.9	-61.3	0	0	0	113.3	S627 D644 L645 R646	S627-Y629 PolarHBondContact O-N 2.73Å; S627-Y629 PolarHBondContact OG-N 3.39Å; Y629-D644 CarbonylContact O-C 3.55Å; Y629-D644 WeakPolarHBondContact O-CA 3.42Å; Y629-L645 PolarHBondContact O-N 2.84Å; Y629-R646 HydrophobicContact CD1-CG 3.42Å; Y629-R646 VanDerWaalsContact CD1-CG 3.42Å; Y629-R646 HydrophobicContact CE1-CG 3.92Å; Y629-R646 HydrophobicContact CG-CG 3.83Å
630	L	95.1	Very high	95	Very high	46 Å²	46	26.3 Å²	26.3	24%	0.241	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.9	178.7	-65.9	178.1	0	0	0	111.2	C624 S627 W643 W665	C624-L630 HydrophobicContact CB-CB 3.66Å; C624-L630 PolarHBondContact N-O 2.9Å; S627-L630 PolarHBondContact O-N 2.92Å; L630-W643 WeakPolarHBondContact CA-O 3.37Å; L630-W665 HydrophobicContact CB-CH2 4.12Å; L630-W665 HydrophobicContact CB-CZ3 4.32Å; L630-W665 HydrophobicContact CD1-CH2 4.29Å
631	L	96.6	Very high	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.1	174.6	-175.4	76.4	0	0	0	107.9	A574 V582 L584 L621 F623 T642 W643 L645	A574-L631 HydrophobicContact CB-CD1 3.95Å; A574-L631 HydrophobicContact CB-CD2 4.12Å; V582-L631 HydrophobicContact CG1-CD2 4.15Å; L584-L631 HydrophobicContact CD2-CD2 4.39Å; L621-L631 HydrophobicContact CD1-CD1 4.37Å; F623-L631 HydrophobicContact CD1-CD1 3.95Å; F623-L631 HydrophobicContact CD2-CD1 4.09Å; F623-L631 HydrophobicContact CE1-CD1 4.12Å; F623-L631 HydrophobicContact CE2-CD1 4.23Å; F623-L631 HydrophobicContact CG-CD1 3.95Å; F623-L631 HydrophobicContact CZ-CD1 4.25Å; L631-T642 CarbonylContact O-C 3.54Å; L631-T642 WeakPolarHBondContact O-CA 3.36Å; L631-W643 PolarHBondContact N-O 3.39Å; L631-W643 PolarHBondContact O-N 3.05Å; L631-L645 HydrophobicContact CB-CD1 4.35Å; L631-L645 HydrophobicContact CB-CD2 3.88Å; L631-L645 HydrophobicContact CB-CG 4.3Å; L631-L645 HydrophobicContact CD2-CD2 4.22Å
632	T	96.9	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.2	167.6	-66.4	0	0	0	0	109.3	L621 V622 L640 K641 T642 L663 W665 V672	L621-T632 CarbonylContact C-O 3.44Å; L621-T632 VanDerWaalsContact CA-O 3.24Å; L621-T632 WeakPolarHBondContact CA-O 3.5Å; V622-T632 PolarHBondContact N-O 3.29Å; V622-T632 PolarHBondContact O-N 3.49Å; T632-L640 HydrophobicContact CG2-CD1 3.44Å; T632-L640 VanDerWaalsContact CG2-CD1 3.44Å; T632-L640 HydrophobicContact CG2-CG 3.97Å; T632-K641 CarbonylContact C-O 3.57Å; T632-K641 WeakPolarHBondContact CA-O 3.29Å; T632-T642 WeakPolarHBondContact OG1-CG2 3.48Å; T632-T642 PolarHBondContact OG1-OG1 3.25Å; T632-L663 HydrophobicContact CG2-CD1 4.25Å; T632-W665 WeakPolarHBondContact OG1-CZ3 3.28Å; T632-V672 HydrophobicContact CG2-CG1 4.28Å; T632-V672 HydrophobicContact CG2-CG2 4.43Å
633	S	97.4	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.4	175.5	64.8	0	0	0	0	111.1	H614 A620 K641 W643	H614-S633 WeakPolarHBondContact NE2-CB 3.25Å; H614-S633 PolarHBondContact NE2-OG 3.22Å; A620-S633 CarbonylContact O-C 3.56Å; A620-S633 WeakPolarHBondContact O-CA 3.44Å; S633-K641 PolarHBondContact N-O 3.32Å; S633-K641 PolarHBondContact O-N 3.19Å; S633-W643 PolarHBondContact OG-NE1 2.91Å
634	A	97	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.4	171.8	0	0	0	0	0	110.4	V618 R619 A620 C639 L640 T660 L663	V618-A634 CarbonylContact C-O 3.55Å; R619-A634 PolarHBondContact N-O 3.37Å; R619-A634 VanDerWaalsContact N-O 3.14Å; A620-A634 PolarHBondContact N-O 3.42Å; A620-A634 PolarHBondContact O-N 3.35Å; A634-C639 WeakPolarHBondContact CA-O 3.34Å; A634-L640 HydrophobicContact CB-CD1 4.02Å; A634-T660 HydrophobicContact CB-CG2 3.79Å; A634-L663 HydrophobicContact CB-CD1 3.96Å; A634-L663 HydrophobicContact CB-CG 4.49Å
635	G	95.4	Very high	94.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.139	C	C	.	.			trans	-144.3	178	-178.2	0	0	0	0	0	114.2	H614 A617 D637 R638 C639	H614-G635 PolarHBondContact CE1-N 2.96Å; H614-G635 PolarHBondContact ND1-N 2.95Å; A617-G635 CarbonylContact O-C 3.42Å; A617-G635 WeakPolarHBondContact O-CA 3.37Å; G635-D637 PolarHBondContact O-N 3.41Å; G635-D637 VanDerWaalsContact O-N 3.15Å; G635-R638 PolarHBondContact O-N 3.27Å; G635-C639 PolarHBondContact N-O 3.39Å
636	E	93.8	Very high	94.4	Very high	58 Å²	58	33.7 Å²	33.7	27%	0.271	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.7	178	-73.1	178	-157.7	0	0	113.2	N616 A617 R619 R638 L659	N616-E636 HydrophobicContact CB-CB 4.01Å; N616-E636 WeakPolarHBondContact ND2-CB 3.4Å; N616-E636 PolarHBondContact ND2-OE2 2.92Å; A617-E636 HydrophobicContact CB-CG 4.2Å; A617-E636 WeakPolarHBondContact CB-OE1 3.26Å; A617-E636 PolarHBondContact O-N 3.2Å; R619-E636 HydrophobicContact CG-CG 3.98Å; E636-R638 PolarHBondContact O-N 3.45Å; E636-L659 HydrophobicContact CG-CD1 4.34Å
637	D	93.6	Very high	94.4	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.064	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	0.8	165.9	75.6	-5.8	0	0	0	113.6	H614 D615 G635 C639 K641 K656	H614-D637 WeakPolarHBondContact CA-OD2 3.37Å; H614-D637 WeakPolarHBondContact CB-OD2 3.29Å; H614-D637 IonicContact CE1-OD1 3.3Å; H614-D637 IonicContact CG-OD1 3.46Å; H614-D637 IonicContact CG-OD2 2.86Å; H614-D637 VanDerWaalsContact ND1-CG 3.25Å; H614-D637 IonicContact ND1-OD1 3.04Å; H614-D637 PolarHBondContact ND1-OD1 3.14Å; H614-D637 IonicContact ND1-OD2 2.86Å; H614-D637 PolarHBondContact ND1-OD2 2.87Å; H614-D637 VanDerWaalsContact ND1-OD2 3.08Å; D615-D637 HydrophobicContact CB-CB 4.25Å; G635-D637 PolarHBondContact O-N 3.41Å; G635-D637 VanDerWaalsContact O-N 3.15Å; D637-C639 PolarHBondContact O-N 3.02Å; D637-C639 VanDerWaalsContact O-N 3.15Å; D637-C639 PolarHBondContact O-SG 2.85Å; D637-C639 VanDerWaalsContact O-SG 3.41Å; D637-C639 VanDerWaalsContact OD1-CB 3.24Å; D637-C639 WeakPolarHBondContact OD1-CB 3.3Å; D637-C639 PolarHBondContact OD1-N 3.49Å; D637-K641 IonicContact OD2-NZ 3.78Å; D637-K641 PolarHBondContact OD2-NZ 3.3Å; D637-K656 WeakPolarHBondContact O-CE 3.19Å; D637-K656 PolarHBondContact O-NZ 3.3Å
638	R	93.4	Very high	94.1	Very high	90 Å²	90	38.1 Å²	38.1	34%	0.34	16%	0.16	S	C	.	.			trans	58.4	19	-177.2	-59.3	-172.9	-70.9	143.2	-6.7	114.1	G635 E636 K656 R657 Y658 L659	G635-R638 PolarHBondContact O-N 3.27Å; E636-R638 PolarHBondContact O-N 3.45Å; R638-K656 HydrophobicContact CB-CG 4.43Å; R638-K656 VanDerWaalsContact O-CA 3.28Å; R638-K656 WeakPolarHBondContact O-CA 3.38Å; R638-R657 PolarHBondContact O-N 3.16Å; R638-R657 VanDerWaalsContact O-N 3.12Å; R638-Y658 CarbonylContact C-O 3.53Å; R638-Y658 WeakPolarHBondContact CA-O 3.46Å; R638-Y658 WeakPolarHBondContact CB-O 3.08Å; R638-L659 HydrophobicContact CG-CB 4.18Å
639	C	93.9	Very high	93.4	Very high	10 Å²	10	40.1 Å²	40.1	7%	0.068	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.5	175.8	-55.5	0	0	0	0	110.5	H614 A634 G635 D637 K641 Q655	H614-C639 PolarHBondContact CE1-O 2.95Å; A634-C639 WeakPolarHBondContact CA-O 3.34Å; G635-C639 PolarHBondContact N-O 3.39Å; D637-C639 PolarHBondContact O-N 3.02Å; D637-C639 VanDerWaalsContact O-N 3.15Å; D637-C639 PolarHBondContact O-SG 2.85Å; D637-C639 VanDerWaalsContact O-SG 3.41Å; D637-C639 VanDerWaalsContact OD1-CB 3.24Å; D637-C639 WeakPolarHBondContact OD1-CB 3.3Å; D637-C639 PolarHBondContact OD1-N 3.49Å; C639-K641 HydrophobicContact CB-CD 4.22Å; C639-K641 HydrophobicContact CB-CG 4.1Å; C639-Q655 WeakPolarHBondContact CA-O 3.39Å
640	L	94.6	Very high	92.7	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.068	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.9	159.5	-174.4	69.3	0	0	0	107.7	T632 A634 V654 Q655 L663 V672 V674	T632-L640 HydrophobicContact CG2-CD1 3.44Å; T632-L640 VanDerWaalsContact CG2-CD1 3.44Å; T632-L640 HydrophobicContact CG2-CG 3.97Å; A634-L640 HydrophobicContact CB-CD1 4.02Å; L640-V654 CarbonylContact O-C 3.56Å; L640-V654 WeakPolarHBondContact O-CA 3.48Å; L640-Q655 HydrophobicContact CB-CB 4.49Å; L640-Q655 PolarHBondContact N-O 2.76Å; L640-Q655 PolarHBondContact O-N 3.09Å; L640-L663 HydrophobicContact CD1-CD1 4.08Å; L640-L663 HydrophobicContact CD1-CD2 3.76Å; L640-V672 HydrophobicContact CD2-CG2 3.92Å; L640-V674 HydrophobicContact CD2-CG2 4.08Å
641	K	95.1	Very high	92.3	Very high	14 Å²	14	41.3 Å²	41.3	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.8	-174.3	-69.9	169.7	178	160.2	0	110	A613 T632 S633 D637 C639 W643 K653 V654	A613-K641 WeakPolarHBondContact O-CD 3.09Å; A613-K641 WeakPolarHBondContact O-CE 3.32Å; A613-K641 PolarHBondContact O-NZ 3.05Å; T632-K641 CarbonylContact C-O 3.57Å; T632-K641 WeakPolarHBondContact CA-O 3.29Å; S633-K641 PolarHBondContact N-O 3.32Å; S633-K641 PolarHBondContact O-N 3.19Å; D637-K641 IonicContact OD2-NZ 3.78Å; D637-K641 PolarHBondContact OD2-NZ 3.3Å; C639-K641 HydrophobicContact CB-CD 4.22Å; C639-K641 HydrophobicContact CB-CG 4.1Å; K641-W643 HydrophobicContact CB-CZ2 3.89Å; K641-W643 HydrophobicContact CD-CZ2 3.9Å; K641-W643 HydrophobicContact CG-CZ2 4.46Å; K641-W643 PolarHBondContact O-NE1 2.7Å; K641-K653 WeakPolarHBondContact CA-O 3.48Å; K641-V654 HydrophobicContact CG-CG1 4.12Å; K641-V654 HydrophobicContact CG-CG2 4.38Å
642	T	95.3	Very high	91.9	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.1	175.5	-53.3	0	0	0	0	109.9	L631 T632 V652 K653 W665	L631-T642 CarbonylContact O-C 3.54Å; L631-T642 WeakPolarHBondContact O-CA 3.36Å; T632-T642 WeakPolarHBondContact OG1-CG2 3.48Å; T632-T642 PolarHBondContact OG1-OG1 3.25Å; T642-V652 PolarHBondContact O-N 2.7Å; T642-K653 PolarHBondContact N-O 3.19Å; T642-K653 PolarHBondContact O-N 3.05Å; T642-W665 HydrophobicContact CG2-CH2 4.1Å; T642-W665 HydrophobicContact CG2-CZ3 4.3Å
643	W	95.1	Very high	91.5	Very high	9 Å²	9	45.4 Å²	45.4	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.9	-168.7	-52.5	87.9	0	0	0	111	I611 A613 L630 L631 S633 K641 L645 M651	I611-W643 HydrophobicContact CD1-CD2 3.65Å; I611-W643 HydrophobicContact CD1-CE3 3.76Å; I611-W643 HydrophobicContact CD1-CG 4.11Å; I611-W643 HydrophobicContact CD1-CH2 4.33Å; I611-W643 HydrophobicContact CD1-CZ2 4.23Å; I611-W643 HydrophobicContact CD1-CZ3 4.1Å; A613-W643 HydrophobicContact CB-CH2 4.22Å; A613-W643 HydrophobicContact CB-CZ2 3.6Å; L630-W643 WeakPolarHBondContact CA-O 3.37Å; L631-W643 PolarHBondContact N-O 3.39Å; L631-W643 PolarHBondContact O-N 3.05Å; S633-W643 PolarHBondContact OG-NE1 2.91Å; K641-W643 HydrophobicContact CB-CZ2 3.89Å; K641-W643 HydrophobicContact CD-CZ2 3.9Å; K641-W643 HydrophobicContact CG-CZ2 4.46Å; K641-W643 PolarHBondContact O-NE1 2.7Å; W643-L645 HydrophobicContact CB-CD2 4.39Å; W643-M651 HydrophobicContact CD2-CG 4.12Å; W643-M651 HydrophobicContact CE3-CG 3.74Å; W643-M651 HydrophobicContact CE3-SD 4.48Å; W643-M651 HydrophobicContact CH2-CG 3.54Å; W643-M651 HydrophobicContact CH2-SD 3.73Å; W643-M651 HydrophobicContact CZ2-CG 3.93Å; W643-M651 HydrophobicContact CZ3-CG 3.45Å; W643-M651 VanDerWaalsContact CZ3-CG 3.45Å; W643-M651 HydrophobicContact CZ3-SD 3.67Å
644	D	94.4	Very high	91.2	Very high	19 Å²	19	49 Å²	49	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.6	161.1	-175.9	-22.4	0	0	0	108.2	Y629 R646 R647 L648 V652	Y629-D644 CarbonylContact O-C 3.55Å; Y629-D644 WeakPolarHBondContact O-CA 3.42Å; D644-R646 PolarHBondContact O-N 2.85Å; D644-R646 VanDerWaalsContact O-N 3.09Å; D644-R646 WeakPolarHBondContact OD1-CB 3.21Å; D644-R646 WeakPolarHBondContact OD1-CG 3.34Å; D644-R646 IonicContact OD1-CZ 2.7Å; D644-R646 PolarHBondContact OD1-N 3.06Å; D644-R646 IonicContact OD1-NE 2.81Å; D644-R646 PolarHBondContact OD1-NE 3.07Å; D644-R646 IonicContact OD1-NH2 3.78Å; D644-R646 IonicContact OD2-CZ 2.73Å; D644-R646 IonicContact OD2-NE 2.75Å; D644-R646 PolarHBondContact OD2-NE 2.66Å; D644-R646 VanDerWaalsContact OD2-NE 3.15Å; D644-R646 IonicContact OD2-NH2 3.27Å; D644-R646 PolarHBondContact OD2-NH2 3.11Å; D644-R647 HydrophobicContact CB-CB 4.49Å; D644-R647 CarbonylContact O-C 3.5Å; D644-R647 VanDerWaalsContact O-C 3.24Å; D644-R647 PolarHBondContact O-N 3.28Å; D644-L648 PolarHBondContact O-N 3.07Å; D644-V652 HydrophobicContact CB-CG2 3.83Å
645	L	93.6	Very high	90.9	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.3	-176	-57.3	-174	0	0	0	113.3	L584 R609 F623 Y629 L631 W643 L648	L584-L645 HydrophobicContact CD1-CD2 4.01Å; R609-L645 PolarHBondContact NH1-O 2.98Å; F623-L645 HydrophobicContact CD1-CD1 4.47Å; F623-L645 HydrophobicContact CE1-CD1 3.74Å; Y629-L645 PolarHBondContact O-N 2.84Å; L631-L645 HydrophobicContact CB-CD1 4.35Å; L631-L645 HydrophobicContact CB-CD2 3.88Å; L631-L645 HydrophobicContact CB-CG 4.3Å; L631-L645 HydrophobicContact CD2-CD2 4.22Å; W643-L645 HydrophobicContact CB-CD2 4.39Å; L645-L648 HydrophobicContact CD2-CD2 3.94Å
646	R	92.5	Very high	90.6	Very high	149 Å²	149	56.2 Å²	56.2	56%	0.562	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-30.7	170.7	-53.2	169.4	-67.3	-171.9	4.1	111.4	Y629 D644	Y629-R646 HydrophobicContact CD1-CG 3.42Å; Y629-R646 VanDerWaalsContact CD1-CG 3.42Å; Y629-R646 HydrophobicContact CE1-CG 3.92Å; Y629-R646 HydrophobicContact CG-CG 3.83Å; D644-R646 PolarHBondContact O-N 2.85Å; D644-R646 VanDerWaalsContact O-N 3.09Å; D644-R646 WeakPolarHBondContact OD1-CB 3.21Å; D644-R646 WeakPolarHBondContact OD1-CG 3.34Å; D644-R646 IonicContact OD1-CZ 2.7Å; D644-R646 PolarHBondContact OD1-N 3.06Å; D644-R646 IonicContact OD1-NE 2.81Å; D644-R646 PolarHBondContact OD1-NE 3.07Å; D644-R646 IonicContact OD1-NH2 3.78Å; D644-R646 IonicContact OD2-CZ 2.73Å; D644-R646 IonicContact OD2-NE 2.75Å; D644-R646 PolarHBondContact OD2-NE 2.66Å; D644-R646 VanDerWaalsContact OD2-NE 3.15Å; D644-R646 IonicContact OD2-NH2 3.27Å; D644-R646 PolarHBondContact OD2-NH2 3.11Å
647	R	89.5	Confident	90.1	Very high	159 Å²	159	59 Å²	59	60%	0.6	28%	0.28	S	S	*	.			trans	-133.2	56.5	-168.8	-66.1	-175.2	63.3	-165.6	-2.8	112.9	D644 S649 N650	D644-R647 HydrophobicContact CB-CB 4.49Å; D644-R647 CarbonylContact O-C 3.5Å; D644-R647 VanDerWaalsContact O-C 3.24Å; D644-R647 PolarHBondContact O-N 3.28Å; R647-S649 PolarHBondContact O-N 2.89Å; R647-N650 PolarHBondContact O-N 3.18Å
648	L	86.2	Confident	89.7	Confident	35 Å²	35	59.2 Å²	59.2	18%	0.183	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.2	-175	-63.3	175.2	0	0	0	116.6	R609 I611 D644 L645 N650	R609-L648 HydrophobicContact CB-CD1 4.14Å; R609-L648 HydrophobicContact CG-CD1 4.33Å; I611-L648 HydrophobicContact CD1-CD2 4.49Å; I611-L648 HydrophobicContact CG2-CB 3.82Å; I611-L648 HydrophobicContact CG2-CD1 3.86Å; I611-L648 HydrophobicContact CG2-CD2 3.84Å; I611-L648 HydrophobicContact CG2-CG 4.05Å; D644-L648 PolarHBondContact O-N 3.07Å; L645-L648 HydrophobicContact CD2-CD2 3.94Å; L648-N650 VanDerWaalsContact C-N 3.28Å; L648-N650 PolarHBondContact O-N 3.3Å
649	S	78.6	Confident	89.6	Confident	103 Å²	103	55.5 Å²	55.5	72%	0.72	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.9	178.1	60.2	0	0	0	0	114.2	R647	R647-S649 PolarHBondContact O-N 2.89Å
650	N	78.6	Confident	89.6	Confident	92 Å²	92	55.2 Å²	55.2	49%	0.492	26%	0.264	S	S	.	.	S	Bend	trans	-132	116	-173.7	-63.4	49.8	0	0	0	109.1	R647 L648	R647-N650 PolarHBondContact O-N 3.18Å; L648-N650 VanDerWaalsContact C-N 3.28Å; L648-N650 PolarHBondContact O-N 3.3Å
651	M	86.3	Confident	89.6	Confident	82 Å²	82	55.4 Å²	55.4	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.4	167.1	-62.4	85.2	93.1	0	0	110	W643 V654	W643-M651 HydrophobicContact CD2-CG 4.12Å; W643-M651 HydrophobicContact CE3-CG 3.74Å; W643-M651 HydrophobicContact CE3-SD 4.48Å; W643-M651 HydrophobicContact CH2-CG 3.54Å; W643-M651 HydrophobicContact CH2-SD 3.73Å; W643-M651 HydrophobicContact CZ2-CG 3.93Å; W643-M651 HydrophobicContact CZ3-CG 3.45Å; W643-M651 VanDerWaalsContact CZ3-CG 3.45Å; W643-M651 HydrophobicContact CZ3-SD 3.67Å; M651-V654 HydrophobicContact CB-CG2 3.84Å; M651-V654 HydrophobicContact CE-CG2 3.78Å; M651-V654 HydrophobicContact CG-CG2 4.23Å
652	V	88.5	Confident	89.6	Confident	64 Å²	64	55.6 Å²	55.6	39%	0.388	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-37.7	174	176.3	0	0	0	0	110.3	T642 D644	T642-V652 PolarHBondContact O-N 2.7Å; D644-V652 HydrophobicContact CB-CG2 3.83Å
653	K	88.6	Confident	89.7	Confident	22 Å²	22	55.8 Å²	55.8	10%	0.096	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144	-179.4	-170	-174.8	172.5	-169.6	0	109.9	K641 T642 V691 D692	K641-K653 WeakPolarHBondContact CA-O 3.48Å; T642-K653 PolarHBondContact N-O 3.19Å; T642-K653 PolarHBondContact O-N 3.05Å; K653-V691 VanDerWaalsContact NZ-CG1 3.3Å; K653-D692 PolarHBondContact NZ-O 3.01Å
654	V	91.8	Very high	89.7	Confident	75 Å²	75	56.6 Å²	56.6	46%	0.455	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.5	168.6	-172.7	0	0	0	0	108.5	L640 K641 M651	L640-V654 CarbonylContact O-C 3.56Å; L640-V654 WeakPolarHBondContact O-CA 3.48Å; K641-V654 HydrophobicContact CG-CG1 4.12Å; K641-V654 HydrophobicContact CG-CG2 4.38Å; M651-V654 HydrophobicContact CB-CG2 3.84Å; M651-V654 HydrophobicContact CE-CG2 3.78Å; M651-V654 HydrophobicContact CG-CG2 4.23Å
655	Q	89.8	Confident	89.8	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	111.7	175.8	178.5	173.6	-14.9	0	0	109.5	C639 L640 V691	C639-Q655 WeakPolarHBondContact CA-O 3.39Å; L640-Q655 HydrophobicContact CB-CB 4.49Å; L640-Q655 PolarHBondContact N-O 2.76Å; L640-Q655 PolarHBondContact O-N 3.09Å; Q655-V691 VanDerWaalsContact OE1-CG1 3.28Å
656	K	89.8	Confident	89.9	Confident	122 Å²	122	56.5 Å²	56.5	53%	0.53	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.9	176.4	-166.7	-176.1	-173.4	90.4	0	109	D637 R638	D637-K656 WeakPolarHBondContact O-CE 3.19Å; D637-K656 PolarHBondContact O-NZ 3.3Å; R638-K656 HydrophobicContact CB-CG 4.43Å; R638-K656 VanDerWaalsContact O-CA 3.28Å; R638-K656 WeakPolarHBondContact O-CA 3.38Å
657	R	82.1	Confident	89.8	Confident	117 Å²	117	50.5 Å²	50.5	44%	0.442	25%	0.251	S	S	.	.			trans	-155.1	-44.7	-177.9	-162.5	173	173	-172.6	-8.3	114.4	R638	R638-R657 PolarHBondContact O-N 3.16Å; R638-R657 VanDerWaalsContact O-N 3.12Å
658	Y	85.2	Confident	89.7	Confident	16 Å²	16	45.1 Å²	45.1	6%	0.063	24%	0.235	C	C	.	.			trans	-131.8	154.3	-170.5	-45.8	-65.9	0	0	0	111.2	R638 Q676 V681 H689	R638-Y658 CarbonylContact C-O 3.53Å; R638-Y658 WeakPolarHBondContact CA-O 3.46Å; R638-Y658 WeakPolarHBondContact CB-O 3.08Å; Y658-Q676 VanDerWaalsContact CD2-CD 3.48Å; Y658-Q676 HydrophobicContact CD2-CG 4.34Å; Y658-Q676 VanDerWaalsContact CG-CD 3.48Å; Y658-Q676 HydrophobicContact CG-CG 4.2Å; Y658-V681 HydrophobicContact CD1-CG1 4.04Å; Y658-V681 HydrophobicContact CD1-CG2 3.81Å; Y658-V681 HydrophobicContact CE1-CG1 4.05Å; Y658-H689 AromaticContact CE2-ND1 3.88Å; Y658-H689 AromaticContact CZ-CE1 3.52Å; Y658-H689 AromaticContact CZ-ND1 3.69Å; Y658-H689 PolarHBondContact OH-CE1 2.84Å; Y658-H689 PolarHBondContact OH-ND1 3.45Å
659	L	91.6	Very high	89.7	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.063	23%	0.233	C	C	.	.			trans	-81.5	120.8	161.3	-179.8	54	0	0	0	108.2	R619 E636 R638 Q676 E677 F680	R619-L659 VanDerWaalsContact NH1-CG 3.33Å; E636-L659 HydrophobicContact CG-CD1 4.34Å; R638-L659 HydrophobicContact CG-CB 4.18Å; L659-Q676 WeakPolarHBondContact O-CA 3.32Å; L659-E677 HydrophobicContact CB-CB 4.27Å; L659-E677 HydrophobicContact CD2-CB 4.31Å; L659-E677 VanDerWaalsContact CD2-OE1 3.32Å; L659-E677 WeakPolarHBondContact CD2-OE1 3.41Å; L659-E677 HydrophobicContact CG-CB 4.21Å; L659-E677 PolarHBondContact O-N 3.19Å; L659-E677 VanDerWaalsContact O-N 3.09Å; L659-F680 HydrophobicContact CB-CD2 3.78Å; L659-F680 HydrophobicContact CB-CE2 4.38Å; L659-F680 HydrophobicContact CD2-CD2 3.74Å; L659-F680 HydrophobicContact CD2-CE2 3.51Å; L659-F680 HydrophobicContact CG-CD2 4.42Å
660	T	94.3	Very high	90.1	Very high	4 Å²	4	43 Å²	43	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.1	-177.1	-57.2	0	0	0	0	110.4	R619 A620 A634 L663 V674 A675	R619-T660 PolarHBondContact NH1-O 2.82Å; A620-T660 HydrophobicContact CB-CG2 4.28Å; A634-T660 HydrophobicContact CB-CG2 3.79Å; T660-L663 HydrophobicContact CG2-CD2 3.82Å; T660-L663 HydrophobicContact CG2-CG 3.88Å; T660-V674 HydrophobicContact CG2-CG1 3.73Å; T660-A675 WeakPolarHBondContact CA-O 3.46Å
661	T	94.4	Very high	90.7	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-51.5	175.8	47.5	0	0	0	0	111.4	A675 Q676 E677 V707 W708	T661-A675 PolarHBondContact N-O 2.88Å; T661-A675 VanDerWaalsContact N-O 3.11Å; T661-A675 VanDerWaalsContact OG1-C 3.24Å; T661-A675 WeakPolarHBondContact OG1-CB 3.39Å; T661-A675 PolarHBondContact OG1-O 2.74Å; T661-Q676 PolarHBondContact OG1-N 3.36Å; T661-E677 HydrophobicContact CG2-CB 4.09Å; T661-V707 VanDerWaalsContact CB-O 3.32Å; T661-V707 WeakPolarHBondContact CB-O 3.19Å; T661-V707 WeakPolarHBondContact CG2-O 3.32Å; T661-V707 PolarHBondContact OG1-O 3.48Å; T661-W708 HydrophobicContact CG2-CE3 4.28Å; T661-W708 HydrophobicContact CG2-CZ3 4.48Å
662	E	96	Very high	91.1	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.3	177.8	-166.9	155.7	-124.1	0	0	111.3	A675 S709 L710 K854 R856	E662-A675 PolarHBondContact O-N 3.31Å; E662-S709 VanDerWaalsContact OE2-CA 3.27Å; E662-S709 WeakPolarHBondContact OE2-CA 3.4Å; E662-S709 WeakPolarHBondContact OE2-CB 3.36Å; E662-S709 PolarHBondContact OE2-OG 3.32Å; E662-L710 HydrophobicContact CB-CB 4.03Å; E662-L710 HydrophobicContact CG-CB 4.12Å; E662-L710 PolarHBondContact OE2-N 3.05Å; E662-K854 IonicContact OE1-NZ 3.68Å; E662-K854 PolarHBondContact OE1-NZ 2.85Å; E662-K854 IonicContact OE2-NZ 2.73Å; E662-R856 IonicContact OE1-CZ 3.38Å; E662-R856 IonicContact OE1-NH1 3.4Å; E662-R856 PolarHBondContact OE1-NH1 3.02Å; E662-R856 IonicContact OE1-NH2 3.8Å; E662-R856 PolarHBondContact OE1-NH2 2.8Å; E662-R856 IonicContact OE2-CZ 3.49Å; E662-R856 IonicContact OE2-NH1 2.64Å; E662-R856 PolarHBondContact OE2-NH1 2.78Å; E662-R856 IonicContact OE2-NH2 3.16Å
663	L	96.8	Very high	91.5	Very high	17 Å²	17	32.1 Å²	32.1	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149	-179.6	-74.8	176.7	0	0	0	111.1	A620 V622 T632 A634 L640 T660 V674	A620-L663 HydrophobicContact CB-CB 4.12Å; A620-L663 HydrophobicContact CB-CD1 3.87Å; A620-L663 HydrophobicContact CB-CG 3.72Å; V622-L663 HydrophobicContact CB-CB 4.34Å; V622-L663 HydrophobicContact CG1-CB 3.91Å; V622-L663 HydrophobicContact CG1-CD1 4.43Å; T632-L663 HydrophobicContact CG2-CD1 4.25Å; A634-L663 HydrophobicContact CB-CD1 3.96Å; A634-L663 HydrophobicContact CB-CG 4.49Å; L640-L663 HydrophobicContact CD1-CD1 4.08Å; L640-L663 HydrophobicContact CD1-CD2 3.76Å; T660-L663 HydrophobicContact CG2-CD2 3.82Å; T660-L663 HydrophobicContact CG2-CG 3.88Å; L663-V674 HydrophobicContact CD2-CB 4.2Å; L663-V674 HydrophobicContact CD2-CG1 4.04Å; L663-V674 HydrophobicContact CD2-CG2 3.81Å
664	C	96.1	Very high	91.8	Very high	26 Å²	26	31.2 Å²	31.2	18%	0.176	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.7	167.5	-170.3	0	0	0	0	110.5	V672 L673 L710 Y712	C664-V672 CarbonylContact O-C 3.57Å; C664-V672 WeakPolarHBondContact O-CA 3.38Å; C664-V672 WeakPolarHBondContact O-CB 3.47Å; C664-L673 HydrophobicContact CB-CB 4.36Å; C664-L673 PolarHBondContact N-O 3.23Å; C664-L673 PolarHBondContact O-N 2.62Å; C664-L710 HydrophobicContact CB-CD2 3.9Å; C664-L710 HydrophobicContact CB-CG 4.13Å; C664-Y712 WeakPolarHBondContact SG-CB 3.34Å
665	W	95.9	Very high	92	Very high	25 Å²	25	27.7 Å²	27.7	10%	0.095	14%	0.138	C	C	.	.			trans	-122	100.1	175	-161.9	-33.5	0	0	0	108.8	V622 C624 P625 L630 T632 T642 S669 G671 V672	V622-W665 HydrophobicContact CG1-CB 4.11Å; V622-W665 HydrophobicContact CG2-CB 4.11Å; C624-W665 HydrophobicContact CB-CD2 3.76Å; C624-W665 HydrophobicContact CB-CE3 3.7Å; C624-W665 HydrophobicContact CB-CH2 3.82Å; C624-W665 HydrophobicContact CB-CZ2 3.87Å; C624-W665 HydrophobicContact CB-CZ3 3.72Å; P625-W665 WeakPolarHBondContact CD-O 3.32Å; P625-W665 VanDerWaalsContact CG-O 3.27Å; P625-W665 WeakPolarHBondContact CG-O 3.39Å; L630-W665 HydrophobicContact CB-CH2 4.12Å; L630-W665 HydrophobicContact CB-CZ3 4.32Å; L630-W665 HydrophobicContact CD1-CH2 4.29Å; T632-W665 WeakPolarHBondContact OG1-CZ3 3.28Å; T642-W665 HydrophobicContact CG2-CH2 4.1Å; T642-W665 HydrophobicContact CG2-CZ3 4.3Å; W665-S669 PolarHBondContact NE1-O 2.94Å; W665-G671 PolarHBondContact NE1-O 3.38Å; W665-V672 HydrophobicContact CB-CG1 4.04Å; W665-V672 HydrophobicContact CD2-CG1 3.66Å; W665-V672 HydrophobicContact CE3-CG1 3.69Å; W665-V672 HydrophobicContact CG-CG1 3.88Å; W665-V672 HydrophobicContact CZ3-CG1 4.34Å
666	P	94.4	Very high	92.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.131	C	C	.	.			trans	-58.2	142.3	177	-26.4	35.8	0	0	0	112.9	D668 S669 L673 Y712	P666-D668 VanDerWaalsContact C-N 3.29Å; P666-D668 WeakPolarHBondContact CB-OD1 3.32Å; P666-D668 PolarHBondContact O-N 3.24Å; P666-S669 PolarHBondContact O-N 3.1Å; P666-L673 HydrophobicContact CG-CD1 3.65Å; P666-L673 HydrophobicContact CG-CG 4.1Å; P666-Y712 HydrophobicContact CB-CD1 3.83Å; P666-Y712 HydrophobicContact CB-CE1 3.46Å; P666-Y712 VanDerWaalsContact CB-CE1 3.46Å; P666-Y712 HydrophobicContact CB-CE2 4.42Å; P666-Y712 HydrophobicContact CB-CG 4.43Å; P666-Y712 HydrophobicContact CG-CD1 4.1Å; P666-Y712 HydrophobicContact CG-CD2 4.35Å; P666-Y712 HydrophobicContact CG-CE1 4.08Å; P666-Y712 HydrophobicContact CG-CE2 4.34Å; P666-Y712 HydrophobicContact CG-CG 4.22Å
667	L	92.1	Very high	92.1	Very high	23 Å²	23	21.9 Å²	21.9	12%	0.12	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-35.5	177.8	175.3	62.4	0	0	0	113	M309 F313 P625 D714	M309-L667 HydrophobicContact CE-CB 3.99Å; M309-L667 HydrophobicContact CE-CD2 3.67Å; M309-L667 HydrophobicContact CE-CG 3.56Å; M309-L667 HydrophobicContact SD-CG 4.29Å; F313-L667 HydrophobicContact CB-CD1 4.18Å; F313-L667 HydrophobicContact CB-CD2 3.51Å; F313-L667 HydrophobicContact CB-CG 4.46Å; F313-L667 HydrophobicContact CD1-CD1 4.06Å; F313-L667 HydrophobicContact CD1-CD2 3.86Å; F313-L667 HydrophobicContact CD2-CD1 3.51Å; F313-L667 HydrophobicContact CD2-CD2 4.39Å; F313-L667 HydrophobicContact CE1-CD1 4.35Å; F313-L667 HydrophobicContact CE2-CD1 3.85Å; F313-L667 HydrophobicContact CG-CD1 3.63Å; F313-L667 HydrophobicContact CG-CD2 3.66Å; F313-L667 HydrophobicContact CG-CG 4.31Å; F313-L667 HydrophobicContact CZ-CD1 4.26Å; P625-L667 HydrophobicContact CB-CB 4.3Å; P625-L667 HydrophobicContact CB-CD1 3.69Å; L667-D714 HydrophobicContact CB-CB 4.37Å; L667-D714 WeakPolarHBondContact CB-OD1 3.18Å; L667-D714 PolarHBondContact N-OD1 2.91Å
668	D	86.1	Confident	92.3	Very high	47 Å²	47	18.1 Å²	18.1	25%	0.251	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.1	-178.2	48.5	37.9	0	0	0	114.3	S306 M309 P666 Y712 H717	S306-D668 PolarHBondContact OG-OD2 2.96Å; M309-D668 HydrophobicContact CE-CB 3.61Å; M309-D668 HydrophobicContact SD-CB 4.09Å; P666-D668 VanDerWaalsContact C-N 3.29Å; P666-D668 WeakPolarHBondContact CB-OD1 3.32Å; P666-D668 PolarHBondContact O-N 3.24Å; D668-Y712 PolarHBondContact OD1-OH 2.9Å; D668-Y712 PolarHBondContact OD2-OH 3.26Å; D668-H717 IonicContact OD2-CE1 2.68Å; D668-H717 PolarHBondContact OD2-CE1 2.84Å; D668-H717 IonicContact OD2-CG 3.08Å; D668-H717 IonicContact OD2-ND1 3.79Å; D668-H717 PolarHBondContact OD2-ND1 2.75Å
669	S	86.1	Confident	92.1	Very high	20 Å²	20	20.6 Å²	20.6	14%	0.14	13%	0.128	C	C	.	.			trans	-118.2	133.7	-162.9	-62.9	0	0	0	0	114.2	W665 P666 G671	W665-S669 PolarHBondContact NE1-O 2.94Å; P666-S669 PolarHBondContact O-N 3.1Å; S669-G671 PolarHBondContact O-N 2.77Å
670	P	87.7	Confident	91.5	Very high	74 Å²	74	25.2 Å²	25.2	48%	0.481	15%	0.148	S	C	.	.	S	Bend	trans	-78.9	40.9	176.3	35.5	-38.1	0	0	0	112.5	Y690 H693	P670-Y690 WeakPolarHBondContact CD-OH 3.41Å; P670-H693 PolarHBondContact O-N 2.97Å
671	G	91.1	Very high	90.6	Very high	4 Å²	4	26.2 Å²	26.2	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	171.7	-169.2	0	0	0	0	0	113.3	W665 S669 Y690 V691	W665-G671 PolarHBondContact NE1-O 3.38Å; S669-G671 PolarHBondContact O-N 2.77Å; G671-Y690 PolarHBondContact N-OH 2.76Å; G671-V691 CarbonylContact C-O 3.24Å; G671-V691 VanDerWaalsContact CA-O 3.24Å; G671-V691 WeakPolarHBondContact CA-O 3.33Å
672	V	94.9	Very high	89.7	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	147.7	179.2	-67.5	0	0	0	0	111.3	V622 T632 L640 C664 W665 V674 V691	V622-V672 HydrophobicContact CG1-CG1 4.35Å; T632-V672 HydrophobicContact CG2-CG1 4.28Å; T632-V672 HydrophobicContact CG2-CG2 4.43Å; L640-V672 HydrophobicContact CD2-CG2 3.92Å; C664-V672 CarbonylContact O-C 3.57Å; C664-V672 WeakPolarHBondContact O-CA 3.38Å; C664-V672 WeakPolarHBondContact O-CB 3.47Å; W665-V672 HydrophobicContact CB-CG1 4.04Å; W665-V672 HydrophobicContact CD2-CG1 3.66Å; W665-V672 HydrophobicContact CE3-CG1 3.69Å; W665-V672 HydrophobicContact CG-CG1 3.88Å; W665-V672 HydrophobicContact CZ3-CG1 4.34Å; V672-V674 HydrophobicContact CG2-CG2 3.89Å; V672-V691 PolarHBondContact N-O 3.49Å; V672-V691 PolarHBondContact O-N 3.3Å
673	L	95.9	Very high	88.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	162.9	-66.9	162.3	0	0	0	108.4	C664 P666 V688 H689 Y690 A700 L710 Y712 V719 L733	C664-L673 HydrophobicContact CB-CB 4.36Å; C664-L673 PolarHBondContact N-O 3.23Å; C664-L673 PolarHBondContact O-N 2.62Å; P666-L673 HydrophobicContact CG-CD1 3.65Å; P666-L673 HydrophobicContact CG-CG 4.1Å; L673-V688 HydrophobicContact CB-CG1 4.35Å; L673-V688 HydrophobicContact CD2-CG1 4.12Å; L673-H689 CarbonylContact C-O 3.56Å; L673-H689 WeakPolarHBondContact CA-O 3.44Å; L673-Y690 HydrophobicContact CD2-CD2 4.13Å; L673-Y690 HydrophobicContact CG-CD2 4.39Å; L673-A700 HydrophobicContact CD2-CB 4.22Å; L673-L710 HydrophobicContact CB-CD1 4.28Å; L673-L710 HydrophobicContact CB-CD2 3.82Å; L673-L710 WeakPolarHBondContact O-CD2 3.39Å; L673-Y712 HydrophobicContact CD1-CD2 3.89Å; L673-Y712 HydrophobicContact CD1-CG 4.31Å; L673-V719 HydrophobicContact CD1-CB 4.04Å; L673-V719 HydrophobicContact CD1-CG2 3.86Å; L673-L733 HydrophobicContact CD2-CD2 4.34Å
674	V	95.3	Very high	87	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	112.6	-171.3	-172.1	0	0	0	0	109.2	L640 T660 L663 V672 Q676 V688 H689 V691	L640-V674 HydrophobicContact CD2-CG2 4.08Å; T660-V674 HydrophobicContact CG2-CG1 3.73Å; L663-V674 HydrophobicContact CD2-CB 4.2Å; L663-V674 HydrophobicContact CD2-CG1 4.04Å; L663-V674 HydrophobicContact CD2-CG2 3.81Å; V672-V674 HydrophobicContact CG2-CG2 3.89Å; V674-Q676 HydrophobicContact CG1-CG 4.3Å; V674-V688 WeakPolarHBondContact O-CA 3.39Å; V674-H689 PolarHBondContact N-O 3.25Å; V674-H689 PolarHBondContact O-N 2.92Å; V674-V691 HydrophobicContact CG2-CG2 4.27Å
675	A	95.4	Very high	86.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	149.5	168.4	0	0	0	0	0	110.9	T660 T661 E662 V707 L710	T660-A675 WeakPolarHBondContact CA-O 3.46Å; T661-A675 PolarHBondContact N-O 2.88Å; T661-A675 VanDerWaalsContact N-O 3.11Å; T661-A675 VanDerWaalsContact OG1-C 3.24Å; T661-A675 WeakPolarHBondContact OG1-CB 3.39Å; T661-A675 PolarHBondContact OG1-O 2.74Å; E662-A675 PolarHBondContact O-N 3.31Å; A675-V707 HydrophobicContact CB-CB 4.13Å; A675-V707 HydrophobicContact CB-CG1 3.72Å; A675-L710 HydrophobicContact CB-CB 3.94Å; A675-L710 HydrophobicContact CB-CD2 4.38Å
676	Q	92.5	Very high	85.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.6	-162.5	-63.6	174.6	17.5	0	0	113	Y658 L659 T661 V674 S685 V686 G687 H689 V707	Y658-Q676 VanDerWaalsContact CD2-CD 3.48Å; Y658-Q676 HydrophobicContact CD2-CG 4.34Å; Y658-Q676 VanDerWaalsContact CG-CD 3.48Å; Y658-Q676 HydrophobicContact CG-CG 4.2Å; L659-Q676 WeakPolarHBondContact O-CA 3.32Å; T661-Q676 PolarHBondContact OG1-N 3.36Å; V674-Q676 HydrophobicContact CG1-CG 4.3Å; Q676-S685 PolarHBondContact OE1-O 3.03Å; Q676-V686 HydrophobicContact CB-CG1 4.17Å; Q676-G687 WeakPolarHBondContact CB-O 3.42Å; Q676-G687 WeakPolarHBondContact CG-O 3.31Å; Q676-G687 PolarHBondContact N-O 3Å; Q676-H689 VanDerWaalsContact CD-CD2 3.42Å; Q676-H689 PolarHBondContact NE2-CD2 3.4Å; Q676-H689 PolarHBondContact NE2-NE2 3.42Å; Q676-H689 PolarHBondContact OE1-CD2 2.78Å; Q676-H689 PolarHBondContact OE1-NE2 2.95Å; Q676-V707 PolarHBondContact O-N 3.39Å
677	E	89.8	Confident	85.6	Confident	31 Å²	31	38.3 Å²	38.3	15%	0.145	22%	0.22	C	C	.	.			trans	-92.8	141.3	173.5	-154.1	175.8	107.9	0	0	110.7	R619 L659 T661 A679 S706	R619-E677 IonicContact CZ-OE2 2.75Å; R619-E677 VanDerWaalsContact CZ-OE2 3.25Å; R619-E677 IonicContact NH1-OE2 2.67Å; R619-E677 PolarHBondContact NH1-OE2 3Å; R619-E677 IonicContact NH2-OE2 3.01Å; R619-E677 PolarHBondContact NH2-OE2 3.22Å; L659-E677 HydrophobicContact CB-CB 4.27Å; L659-E677 HydrophobicContact CD2-CB 4.31Å; L659-E677 VanDerWaalsContact CD2-OE1 3.32Å; L659-E677 WeakPolarHBondContact CD2-OE1 3.41Å; L659-E677 HydrophobicContact CG-CB 4.21Å; L659-E677 PolarHBondContact O-N 3.19Å; L659-E677 VanDerWaalsContact O-N 3.09Å; T661-E677 HydrophobicContact CG2-CB 4.09Å; E677-A679 VanDerWaalsContact C-N 3.35Å; E677-A679 PolarHBondContact O-N 2.7Å; E677-S706 VanDerWaalsContact CG-OG 3.32Å; E677-S706 WeakPolarHBondContact CG-OG 3.47Å
678	S	86.4	Confident	85.7	Confident	38 Å²	38	37.2 Å²	37.2	27%	0.266	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.3	-22.7	-175.1	59	0	0	0	0	114.3	F680 V681 S706	S678-F680 PolarHBondContact O-N 3.18Å; S678-V681 PolarHBondContact O-N 2.98Å; S678-S706 PolarHBondContact N-OG 3.49Å; S678-S706 PolarHBondContact OG-OG 2.92Å
679	A	82.2	Confident	85.9	Confident	68 Å²	68	35 Å²	35	56%	0.562	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-58.7	-16.8	-167.7	0	0	0	0	0	116.5	E677	E677-A679 VanDerWaalsContact C-N 3.35Å; E677-A679 PolarHBondContact O-N 2.7Å
680	F	78	Confident	86.3	Confident	109 Å²	109	35 Å²	35	48%	0.478	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-124.9	14.7	-174.3	-64.6	-82	0	0	0	114.2	L659 S678	L659-F680 HydrophobicContact CB-CD2 3.78Å; L659-F680 HydrophobicContact CB-CE2 4.38Å; L659-F680 HydrophobicContact CD2-CD2 3.74Å; L659-F680 HydrophobicContact CD2-CE2 3.51Å; L659-F680 HydrophobicContact CG-CD2 4.42Å; S678-F680 PolarHBondContact O-N 3.18Å
681	V	75.6	Confident	86.4	Confident	24 Å²	24	31.6 Å²	31.6	15%	0.145	18%	0.177	C	C	.	.	S	Bend	trans	-142.7	141.7	-163.9	-167.2	0	0	0	0	110.1	Y658 S678 V686	Y658-V681 HydrophobicContact CD1-CG1 4.04Å; Y658-V681 HydrophobicContact CD1-CG2 3.81Å; Y658-V681 HydrophobicContact CE1-CG1 4.05Å; S678-V681 PolarHBondContact O-N 2.98Å; V681-V686 HydrophobicContact CB-CG2 4.14Å; V681-V686 HydrophobicContact CG1-CG2 4.32Å
682	P	75.9	Confident	86.3	Confident	91 Å²	91	31.5 Å²	31.5	59%	0.591	18%	0.176	S	C	*	.			trans	-56.2	141.3	169.6	-24.5	34.7	0	0	0	111.4	S684 S685	P682-S684 VanDerWaalsContact C-N 3.25Å; P682-S684 PolarHBondContact O-N 2.77Å; P682-S684 VanDerWaalsContact O-N 3.1Å; P682-S685 WeakPolarHBondContact O-CA 3.48Å; P682-S685 WeakPolarHBondContact O-CB 3.48Å; P682-S685 PolarHBondContact O-N 3.06Å
683	R	67.3	Low	85.7	Confident	161 Å²	161	36.2 Å²	36.2	61%	0.608	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-50.1	-41.9	-173.3	-66.6	-176.9	-177.6	169.6	-0.3	113.5	S685	R683-S685 PolarHBondContact O-N 3.06Å; R683-S685 VanDerWaalsContact O-N 3.1Å
684	S	69.1	Low	85	Confident	77 Å²	77	44.4 Å²	44.4	54%	0.538	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-73.6	9.1	178.1	57.5	0	0	0	0	115.2	P682	P682-S684 VanDerWaalsContact C-N 3.25Å; P682-S684 PolarHBondContact O-N 2.77Å; P682-S684 VanDerWaalsContact O-N 3.1Å
685	S	77.6	Confident	84.3	Confident	28 Å²	28	49.2 Å²	49.2	20%	0.196	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-127.4	6.2	-176.2	-75.7	0	0	0	0	115.3	Q676 P682 R683 H689	Q676-S685 PolarHBondContact OE1-O 3.03Å; P682-S685 WeakPolarHBondContact O-CA 3.48Å; P682-S685 WeakPolarHBondContact O-CB 3.48Å; P682-S685 PolarHBondContact O-N 3.06Å; R683-S685 PolarHBondContact O-N 3.06Å; R683-S685 VanDerWaalsContact O-N 3.1Å; S685-H689 PolarHBondContact O-CE1 3.16Å; S685-H689 PolarHBondContact O-NE2 3.02Å
686	V	86.3	Confident	83.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	169.9	175.4	-160.9	0	0	0	0	110.3	Q676 V681 R703 T705	Q676-V686 HydrophobicContact CB-CG1 4.17Å; V681-V686 HydrophobicContact CB-CG2 4.14Å; V681-V686 HydrophobicContact CG1-CG2 4.32Å; V686-R703 CarbonylContact C-O 3.56Å; V686-R703 WeakPolarHBondContact CB-O 3.44Å; V686-R703 PolarHBondContact O-N 3.05Å; V686-R703 VanDerWaalsContact O-O 3.13Å; V686-T705 VanDerWaalsContact CG1-O 3.32Å; V686-T705 WeakPolarHBondContact CG1-O 3.43Å
687	G	91.9	Very high	83.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124	-160.5	175.1	0	0	0	0	0	113.9	Q676 I701	Q676-G687 WeakPolarHBondContact CB-O 3.42Å; Q676-G687 WeakPolarHBondContact CG-O 3.31Å; Q676-G687 PolarHBondContact N-O 3Å; G687-I701 CarbonylContact C-O 3.47Å; G687-I701 VanDerWaalsContact CA-O 3.31Å; G687-I701 WeakPolarHBondContact CA-O 3.31Å
688	V	94.1	Very high	83.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.4	171.5	-176.7	0	0	0	0	110.1	L673 V674 A700 I701 V707 L710 V719	L673-V688 HydrophobicContact CB-CG1 4.35Å; L673-V688 HydrophobicContact CD2-CG1 4.12Å; V674-V688 WeakPolarHBondContact O-CA 3.39Å; V688-A700 HydrophobicContact CG1-CB 4.21Å; V688-A700 PolarHBondContact O-N 2.94Å; V688-I701 HydrophobicContact CB-CB 4.16Å; V688-I701 HydrophobicContact CG2-CB 4.33Å; V688-I701 PolarHBondContact N-O 3.25Å; V688-I701 PolarHBondContact O-N 3.04Å; V688-V707 HydrophobicContact CG2-CG1 4.21Å; V688-L710 HydrophobicContact CB-CD1 4.44Å; V688-L710 HydrophobicContact CG1-CD1 3.59Å; V688-L710 HydrophobicContact CG2-CD1 3.91Å; V688-V719 HydrophobicContact CG1-CG2 4.24Å
689	H	91.6	Very high	83.5	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.8	173.8	-67.7	-134.5	0	0	0	110	Y658 L673 V674 Q676 S685 V691 Y698 F699	Y658-H689 AromaticContact CE2-ND1 3.88Å; Y658-H689 AromaticContact CZ-CE1 3.52Å; Y658-H689 AromaticContact CZ-ND1 3.69Å; Y658-H689 PolarHBondContact OH-CE1 2.84Å; Y658-H689 PolarHBondContact OH-ND1 3.45Å; L673-H689 CarbonylContact C-O 3.56Å; L673-H689 WeakPolarHBondContact CA-O 3.44Å; V674-H689 PolarHBondContact N-O 3.25Å; V674-H689 PolarHBondContact O-N 2.92Å; Q676-H689 VanDerWaalsContact CD-CD2 3.42Å; Q676-H689 PolarHBondContact NE2-CD2 3.4Å; Q676-H689 PolarHBondContact NE2-NE2 3.42Å; Q676-H689 PolarHBondContact OE1-CD2 2.78Å; Q676-H689 PolarHBondContact OE1-NE2 2.95Å; S685-H689 PolarHBondContact O-CE1 3.16Å; S685-H689 PolarHBondContact O-NE2 3.02Å; H689-V691 HydrophobicContact CB-CG2 4.31Å; H689-Y698 CarbonylContact C-O 3.58Å; H689-Y698 WeakPolarHBondContact CA-O 3.48Å; H689-F699 AromaticContact CD2-CD1 3.9Å; H689-F699 AromaticContact CE1-CD1 3.68Å; H689-F699 AromaticContact CE1-CE1 3.2Å; H689-F699 WeakPolarHBondContact CE1-CE1 3.48Å; H689-F699 AromaticContact CE1-CE2 3.88Å; H689-F699 AromaticContact CE1-CZ 3.3Å; H689-F699 WeakPolarHBondContact CE1-CZ 3.5Å; H689-F699 AromaticContact NE2-CD1 3.42Å; H689-F699 WeakPolarHBondContact NE2-CD1 3.22Å; H689-F699 AromaticContact NE2-CE1 3.08Å; H689-F699 WeakPolarHBondContact NE2-CE1 3.23Å; H689-F699 AromaticContact NE2-CZ 3.7Å
690	Y	92.7	Very high	83.9	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.2	158.7	176.7	-102.2	0	0	0	109.4	P670 G671 L673 D692 S697 Y698	P670-Y690 WeakPolarHBondContact CD-OH 3.41Å; G671-Y690 PolarHBondContact N-OH 2.76Å; L673-Y690 HydrophobicContact CD2-CD2 4.13Å; L673-Y690 HydrophobicContact CG-CD2 4.39Å; Y690-D692 HydrophobicContact CE1-CB 3.75Å; Y690-D692 WeakPolarHBondContact OH-CB 3.38Å; Y690-S697 WeakPolarHBondContact O-CA 3.41Å; Y690-S697 WeakPolarHBondContact O-CB 3.41Å; Y690-Y698 AromaticContact CD1-CD1 3.77Å; Y690-Y698 HydrophobicContact CD1-CD1 3.77Å; Y690-Y698 AromaticContact CD1-CE1 3.22Å; Y690-Y698 HydrophobicContact CD1-CE1 3.22Å; Y690-Y698 AromaticContact CD1-CZ 3.89Å; Y690-Y698 HydrophobicContact CE1-CE1 4.06Å; Y690-Y698 HydrophobicContact CG-CD1 4.38Å; Y690-Y698 AromaticContact CG-CE1 3.7Å; Y690-Y698 HydrophobicContact CG-CE1 3.7Å; Y690-Y698 AromaticContact CG-CZ 3.88Å; Y690-Y698 PolarHBondContact N-O 3.4Å; Y690-Y698 PolarHBondContact O-N 2.98Å; Y690-Y698 VanDerWaalsContact O-N 3.1Å
691	V	91.2	Very high	84.6	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	115.8	176.9	-167.3	0	0	0	0	110.7	K653 Q655 G671 V672 V674 H689	K653-V691 VanDerWaalsContact NZ-CG1 3.3Å; Q655-V691 VanDerWaalsContact OE1-CG1 3.28Å; G671-V691 CarbonylContact C-O 3.24Å; G671-V691 VanDerWaalsContact CA-O 3.24Å; G671-V691 WeakPolarHBondContact CA-O 3.33Å; V672-V691 PolarHBondContact N-O 3.49Å; V672-V691 PolarHBondContact O-N 3.3Å; V674-V691 HydrophobicContact CG2-CG2 4.27Å; H689-V691 HydrophobicContact CB-CG2 4.31Å
692	D	88.1	Confident	85.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.011	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	173.9	180	86.8	-7.4	0	0	0	114.7	K653 Y690 Y694 L695 R696	K653-D692 PolarHBondContact NZ-O 3.01Å; Y690-D692 HydrophobicContact CE1-CB 3.75Å; Y690-D692 WeakPolarHBondContact OH-CB 3.38Å; D692-Y694 PolarHBondContact O-N 3.36Å; D692-Y694 VanDerWaalsContact OD1-C 3.24Å; D692-Y694 VanDerWaalsContact OD1-CA 3.27Å; D692-Y694 WeakPolarHBondContact OD1-CA 3.48Å; D692-Y694 WeakPolarHBondContact OD1-CB 3.42Å; D692-Y694 PolarHBondContact OD1-N 3.13Å; D692-L695 PolarHBondContact O-N 2.93Å; D692-L695 PolarHBondContact OD1-N 3.08Å; D692-L695 VanDerWaalsContact OD1-N 3.12Å; D692-R696 PolarHBondContact N-O 3Å; D692-R696 WeakPolarHBondContact OD1-CB 3.03Å; D692-R696 PolarHBondContact OD1-N 2.68Å; D692-R696 IonicContact OD1-NE 3.76Å; D692-R696 IonicContact OD2-CZ 2.9Å; D692-R696 IonicContact OD2-NE 3.15Å; D692-R696 PolarHBondContact OD2-NE 3.01Å; D692-R696 IonicContact OD2-NH2 3.13Å; D692-R696 PolarHBondContact OD2-NH2 3.08Å
693	H	82.1	Confident	86	Confident	105 Å²	105	47.6 Å²	47.6	49%	0.486	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.7	175.3	-172	81.7	0	0	0	113.2	P670 L695	P670-H693 PolarHBondContact O-N 2.97Å; H693-L695 PolarHBondContact O-N 3.33Å
694	Y	82.5	Confident	87	Confident	171 Å²	171	40.2 Å²	40.2	67%	0.671	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	12.8	178.9	-58.9	-75.9	0	0	0	114	D692 R696	D692-Y694 PolarHBondContact O-N 3.36Å; D692-Y694 VanDerWaalsContact OD1-C 3.24Å; D692-Y694 VanDerWaalsContact OD1-CA 3.27Å; D692-Y694 WeakPolarHBondContact OD1-CA 3.48Å; D692-Y694 WeakPolarHBondContact OD1-CB 3.42Å; D692-Y694 PolarHBondContact OD1-N 3.13Å; Y694-R696 PolarHBondContact O-N 3.04Å
695	L	80.7	Confident	88	Confident	105 Å²	105	36.9 Å²	36.9	55%	0.55	17%	0.171	S	C	.	.	S	Bend	trans	62.1	14.5	-176.1	-64.7	160.5	0	0	0	114.4	D692 H693 S697	D692-L695 PolarHBondContact O-N 2.93Å; D692-L695 PolarHBondContact OD1-N 3.08Å; D692-L695 VanDerWaalsContact OD1-N 3.12Å; H693-L695 PolarHBondContact O-N 3.33Å; L695-S697 PolarHBondContact O-N 2.94Å
696	R	84.1	Confident	88.7	Confident	158 Å²	158	36.2 Å²	36.2	60%	0.596	17%	0.166	S	C	*	.			trans	-72.6	126.6	169.3	-59	-178.5	-65	178.5	1.8	108	D692 Y694	D692-R696 PolarHBondContact N-O 3Å; D692-R696 WeakPolarHBondContact OD1-CB 3.03Å; D692-R696 PolarHBondContact OD1-N 2.68Å; D692-R696 IonicContact OD1-NE 3.76Å; D692-R696 IonicContact OD2-CZ 2.9Å; D692-R696 IonicContact OD2-NE 3.15Å; D692-R696 PolarHBondContact OD2-NE 3.01Å; D692-R696 IonicContact OD2-NH2 3.13Å; D692-R696 PolarHBondContact OD2-NH2 3.08Å; Y694-R696 PolarHBondContact O-N 3.04Å
697	S	86.3	Confident	89.1	Confident	50 Å²	50	36.1 Å²	36.1	35%	0.35	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141	-179	63.1	0	0	0	0	112.2	Y690 L695	Y690-S697 WeakPolarHBondContact O-CA 3.41Å; Y690-S697 WeakPolarHBondContact O-CB 3.41Å; L695-S697 PolarHBondContact O-N 2.94Å
698	Y	87.6	Confident	89.3	Confident	37 Å²	37	38.7 Å²	38.7	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.9	170.7	67.7	-96.4	0	0	0	111.5	H689 Y690 A700 P734 V740	H689-Y698 CarbonylContact C-O 3.58Å; H689-Y698 WeakPolarHBondContact CA-O 3.48Å; Y690-Y698 AromaticContact CD1-CD1 3.77Å; Y690-Y698 HydrophobicContact CD1-CD1 3.77Å; Y690-Y698 AromaticContact CD1-CE1 3.22Å; Y690-Y698 HydrophobicContact CD1-CE1 3.22Å; Y690-Y698 AromaticContact CD1-CZ 3.89Å; Y690-Y698 HydrophobicContact CE1-CE1 4.06Å; Y690-Y698 HydrophobicContact CG-CD1 4.38Å; Y690-Y698 AromaticContact CG-CE1 3.7Å; Y690-Y698 HydrophobicContact CG-CE1 3.7Å; Y690-Y698 AromaticContact CG-CZ 3.88Å; Y690-Y698 PolarHBondContact N-O 3.4Å; Y690-Y698 PolarHBondContact O-N 2.98Å; Y690-Y698 VanDerWaalsContact O-N 3.1Å; Y698-A700 HydrophobicContact CE2-CB 4.18Å; Y698-A700 PolarHBondContact O-N 3.07Å; Y698-P734 HydrophobicContact CE1-CG 4.32Å; Y698-P734 HydrophobicContact CE2-CG 3.79Å; Y698-P734 WeakPolarHBondContact OH-CD 3.45Å; Y698-V740 HydrophobicContact CD1-CG2 4.47Å; Y698-V740 HydrophobicContact CG-CG1 4.29Å; Y698-V740 HydrophobicContact CG-CG2 4.33Å
699	F	87.9	Confident	89.4	Confident	61 Å²	61	38.7 Å²	38.7	27%	0.268	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	111.5	171.4	-64.6	-100.3	0	0	0	109.3	H689 P702	H689-F699 AromaticContact CD2-CD1 3.9Å; H689-F699 AromaticContact CE1-CD1 3.68Å; H689-F699 AromaticContact CE1-CE1 3.2Å; H689-F699 WeakPolarHBondContact CE1-CE1 3.48Å; H689-F699 AromaticContact CE1-CE2 3.88Å; H689-F699 AromaticContact CE1-CZ 3.3Å; H689-F699 WeakPolarHBondContact CE1-CZ 3.5Å; H689-F699 AromaticContact NE2-CD1 3.42Å; H689-F699 WeakPolarHBondContact NE2-CD1 3.22Å; H689-F699 AromaticContact NE2-CE1 3.08Å; H689-F699 WeakPolarHBondContact NE2-CE1 3.23Å; H689-F699 AromaticContact NE2-CZ 3.7Å; F699-P702 HydrophobicContact CB-CB 4.22Å; F699-P702 HydrophobicContact CD1-CB 3.92Å; F699-P702 HydrophobicContact CG-CB 4.31Å
700	A	90.9	Very high	89.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-46.6	168.3	0	0	0	0	0	109.2	L673 V688 Y698 V719 S731 L733 R747	L673-A700 HydrophobicContact CD2-CB 4.22Å; V688-A700 HydrophobicContact CG1-CB 4.21Å; V688-A700 PolarHBondContact O-N 2.94Å; Y698-A700 HydrophobicContact CE2-CB 4.18Å; Y698-A700 PolarHBondContact O-N 3.07Å; A700-V719 HydrophobicContact CB-CG1 4.06Å; A700-S731 PolarHBondContact O-OG 3.31Å; A700-L733 HydrophobicContact CB-CD2 3.99Å; A700-R747 WeakPolarHBondContact O-CD 3.43Å
701	I	92.3	Very high	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	103.8	172.7	-58.2	170.9	0	0	0	107.6	G687 V688 R703 V719 S721 I729	G687-I701 CarbonylContact C-O 3.47Å; G687-I701 VanDerWaalsContact CA-O 3.31Å; G687-I701 WeakPolarHBondContact CA-O 3.31Å; V688-I701 HydrophobicContact CB-CB 4.16Å; V688-I701 HydrophobicContact CG2-CB 4.33Å; V688-I701 PolarHBondContact N-O 3.25Å; V688-I701 PolarHBondContact O-N 3.04Å; I701-R703 HydrophobicContact CG2-CG 4.26Å; I701-V719 HydrophobicContact CD1-CG1 4.26Å; I701-S721 VanDerWaalsContact CD1-OG 3.24Å; I701-S721 WeakPolarHBondContact CD1-OG 3.49Å; I701-I729 HydrophobicContact CD1-CB 4.36Å; I701-I729 HydrophobicContact CD1-CG2 4.01Å; I701-I729 HydrophobicContact CG1-CG2 4.27Å; I701-I729 HydrophobicContact CG2-CB 4.25Å; I701-I729 HydrophobicContact CG2-CD1 4.2Å; I701-I729 HydrophobicContact CG2-CG2 3.85Å
702	P	91.4	Very high	90.1	Very high	19 Å²	19	39 Å²	39	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.2	172.6	32.2	-32.9	0	0	0	109.8	F699 E837	F699-P702 HydrophobicContact CB-CB 4.22Å; F699-P702 HydrophobicContact CD1-CB 3.92Å; F699-P702 HydrophobicContact CG-CB 4.31Å; P702-E837 HydrophobicContact CG-CB 4.47Å; P702-E837 HydrophobicContact CG-CG 4.17Å
703	R	90.9	Very high	90.5	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	161.2	173.6	-61.6	-62.3	-75.7	154	-8.8	110.5	V686 I701 V707 D723 E727 T836 E837	V686-R703 CarbonylContact C-O 3.56Å; V686-R703 WeakPolarHBondContact CB-O 3.44Å; V686-R703 PolarHBondContact O-N 3.05Å; V686-R703 VanDerWaalsContact O-O 3.13Å; I701-R703 HydrophobicContact CG2-CG 4.26Å; R703-V707 HydrophobicContact CB-CG2 4.17Å; R703-V707 HydrophobicContact CG-CG2 3.74Å; R703-D723 IonicContact CZ-OD2 2.78Å; R703-D723 IonicContact NE-OD2 2.8Å; R703-D723 PolarHBondContact NE-OD2 3.5Å; R703-D723 VanDerWaalsContact NH2-CG 3.27Å; R703-D723 IonicContact NH2-OD1 2.76Å; R703-D723 PolarHBondContact NH2-OD1 2.85Å; R703-D723 VanDerWaalsContact NH2-OD1 3.16Å; R703-D723 IonicContact NH2-OD2 3.46Å; R703-D723 PolarHBondContact NH2-OD2 3.07Å; R703-E727 IonicContact CZ-OE2 3.84Å; R703-E727 IonicContact NH1-OE2 2.7Å; R703-E727 PolarHBondContact NH1-OE2 3.14Å; R703-E727 IonicContact NH2-OE2 3.81Å; R703-E727 PolarHBondContact NH2-OE2 3.19Å; R703-T836 PolarHBondContact NH1-OG1 2.8Å; R703-T836 VanDerWaalsContact NH1-OG1 3.15Å; R703-E837 CarbonylContact C-O 3.54Å; R703-E837 WeakPolarHBondContact CA-O 3.19Å
704	S	88.4	Confident	91.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-95.7	-18.5	172.9	49.3	0	0	0	0	112.8	T836 E837 A840	S704-T836 PolarHBondContact OG-O 2.9Å; S704-E837 PolarHBondContact N-O 3.18Å; S704-A840 WeakPolarHBondContact CB-O 3.47Å; S704-A840 PolarHBondContact OG-O 2.59Å
705	T	89.8	Confident	91.6	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	-123.9	169.1	-171.7	61.6	0	0	0	0	112	V686 V707 L725 T842	V686-T705 VanDerWaalsContact CG1-O 3.32Å; V686-T705 WeakPolarHBondContact CG1-O 3.43Å; T705-V707 PolarHBondContact O-N 3.23Å; T705-L725 HydrophobicContact CG2-CD1 3.92Å; T705-L725 HydrophobicContact CG2-CD2 4.1Å; T705-L725 HydrophobicContact CG2-CG 3.91Å; T705-T842 VanDerWaalsContact CG2-OG1 3.26Å; T705-T842 WeakPolarHBondContact CG2-OG1 3.4Å
706	S	92.3	Very high	92.2	Very high	14 Å²	14	23.5 Å²	23.5	10%	0.098	11%	0.111	C	C	.	.			trans	-65.3	123.7	-179.5	-65.7	0	0	0	0	112.6	E677 S678 D723 M724	E677-S706 VanDerWaalsContact CG-OG 3.32Å; E677-S706 WeakPolarHBondContact CG-OG 3.47Å; S678-S706 PolarHBondContact N-OG 3.49Å; S678-S706 PolarHBondContact OG-OG 2.92Å; S706-D723 WeakPolarHBondContact O-CA 3.44Å; S706-D723 VanDerWaalsContact O-CB 3.3Å; S706-D723 WeakPolarHBondContact O-CB 3.47Å; S706-M724 PolarHBondContact O-N 2.8Å; S706-M724 VanDerWaalsContact O-N 3.15Å
707	V	95	Very high	92.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.8	171.9	-179.5	0	0	0	0	108.8	T661 A675 Q676 V688 R703 T705 S709 S722 D723	T661-V707 VanDerWaalsContact CB-O 3.32Å; T661-V707 WeakPolarHBondContact CB-O 3.19Å; T661-V707 WeakPolarHBondContact CG2-O 3.32Å; T661-V707 PolarHBondContact OG1-O 3.48Å; A675-V707 HydrophobicContact CB-CB 4.13Å; A675-V707 HydrophobicContact CB-CG1 3.72Å; Q676-V707 PolarHBondContact O-N 3.39Å; V688-V707 HydrophobicContact CG2-CG1 4.21Å; R703-V707 HydrophobicContact CB-CG2 4.17Å; R703-V707 HydrophobicContact CG-CG2 3.74Å; T705-V707 PolarHBondContact O-N 3.23Å; V707-S709 WeakPolarHBondContact CG1-O 3.28Å; V707-S722 WeakPolarHBondContact CG1-O 3.5Å; V707-D723 HydrophobicContact CG2-CB 4.32Å
708	W	95.3	Very high	93.1	Very high	53 Å²	53	14.2 Å²	14.2	20%	0.201	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-36	-176.7	-69.1	118.5	0	0	0	113.1	T661 S722 M724 Y853	T661-W708 HydrophobicContact CG2-CE3 4.28Å; T661-W708 HydrophobicContact CG2-CZ3 4.48Å; W708-S722 PolarHBondContact N-O 3.08Å; W708-M724 HydrophobicContact CZ2-SD 4.1Å; W708-M724 PolarHBondContact NE1-SD 2.97Å; W708-Y853 AromaticContact CD1-CD1 3.79Å; W708-Y853 HydrophobicContact CD2-CD1 4.38Å; W708-Y853 HydrophobicContact CG-CD1 4.01Å
709	S	97	Very high	93.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.3	-176.6	-163.1	0	0	0	0	114.1	E662 V707 S721 S722 A855 R856	E662-S709 VanDerWaalsContact OE2-CA 3.27Å; E662-S709 WeakPolarHBondContact OE2-CA 3.4Å; E662-S709 WeakPolarHBondContact OE2-CB 3.36Å; E662-S709 PolarHBondContact OE2-OG 3.32Å; V707-S709 WeakPolarHBondContact CG1-O 3.28Å; S709-S721 WeakPolarHBondContact O-CA 3.39Å; S709-S722 WeakPolarHBondContact CB-OG 3.48Å; S709-S722 PolarHBondContact N-O 3.46Å; S709-S722 VanDerWaalsContact N-O 3.15Å; S709-S722 PolarHBondContact O-N 3.18Å; S709-A855 PolarHBondContact OG-N 2.88Å; S709-A855 VanDerWaalsContact OG-N 3.14Å; S709-A855 PolarHBondContact OG-O 3.31Å; S709-R856 PolarHBondContact OG-NH1 3.26Å
710	L	96.4	Very high	93.9	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.6	-178.2	177.3	64.5	0	0	0	109.3	E662 C664 L673 A675 V688 V719 R856	E662-L710 HydrophobicContact CB-CB 4.03Å; E662-L710 HydrophobicContact CG-CB 4.12Å; E662-L710 PolarHBondContact OE2-N 3.05Å; C664-L710 HydrophobicContact CB-CD2 3.9Å; C664-L710 HydrophobicContact CB-CG 4.13Å; L673-L710 HydrophobicContact CB-CD1 4.28Å; L673-L710 HydrophobicContact CB-CD2 3.82Å; L673-L710 WeakPolarHBondContact O-CD2 3.39Å; A675-L710 HydrophobicContact CB-CB 3.94Å; A675-L710 HydrophobicContact CB-CD2 4.38Å; V688-L710 HydrophobicContact CB-CD1 4.44Å; V688-L710 HydrophobicContact CG1-CD1 3.59Å; V688-L710 HydrophobicContact CG2-CD1 3.91Å; L710-V719 HydrophobicContact CD1-CG2 3.33Å; L710-R856 PolarHBondContact O-NH1 3.42Å
711	S	97.2	Very high	94.2	Very high	10 Å²	10	9.5 Å²	9.5	7%	0.07	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.5	172.6	-172.3	0	0	0	0	110	V719 M720 A855 F857	S711-V719 CarbonylContact O-C 3.56Å; S711-V719 WeakPolarHBondContact O-CA 3.48Å; S711-M720 PolarHBondContact N-O 3.45Å; S711-M720 PolarHBondContact O-N 2.88Å; S711-A855 WeakPolarHBondContact CB-O 3.47Å; S711-F857 PolarHBondContact OG-N 3.05Å; S711-F857 VanDerWaalsContact OG-N 3.14Å
712	Y	96.6	Very high	94.4	Very high	16 Å²	16	9.5 Å²	9.5	6%	0.063	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.5	170.5	-172.6	-111.3	0	0	0	109.3	C664 P666 D668 L673 D714 H717 T718 V719 L733	C664-Y712 WeakPolarHBondContact SG-CB 3.34Å; P666-Y712 HydrophobicContact CB-CD1 3.83Å; P666-Y712 HydrophobicContact CB-CE1 3.46Å; P666-Y712 VanDerWaalsContact CB-CE1 3.46Å; P666-Y712 HydrophobicContact CB-CE2 4.42Å; P666-Y712 HydrophobicContact CB-CG 4.43Å; P666-Y712 HydrophobicContact CG-CD1 4.1Å; P666-Y712 HydrophobicContact CG-CD2 4.35Å; P666-Y712 HydrophobicContact CG-CE1 4.08Å; P666-Y712 HydrophobicContact CG-CE2 4.34Å; P666-Y712 HydrophobicContact CG-CG 4.22Å; D668-Y712 PolarHBondContact OD1-OH 2.9Å; D668-Y712 PolarHBondContact OD2-OH 3.26Å; L673-Y712 HydrophobicContact CD1-CD2 3.89Å; L673-Y712 HydrophobicContact CD1-CG 4.31Å; Y712-D714 HydrophobicContact CD1-CB 4.48Å; Y712-D714 WeakPolarHBondContact CD1-OD1 3.46Å; Y712-D714 HydrophobicContact CE1-CB 4.17Å; Y712-D714 VanDerWaalsContact CE1-OD1 3.28Å; Y712-D714 WeakPolarHBondContact CE1-OD1 3.39Å; Y712-H717 WeakPolarHBondContact OH-CA 3.49Å; Y712-H717 PolarHBondContact OH-ND1 2.72Å; Y712-T718 VanDerWaalsContact CD2-O 3.23Å; Y712-T718 WeakPolarHBondContact CD2-O 3.26Å; Y712-V719 HydrophobicContact CD2-CB 4.15Å; Y712-L733 HydrophobicContact CD2-CD1 4.36Å; Y712-L733 HydrophobicContact CE2-CD1 3.53Å; Y712-L733 HydrophobicContact CE2-CG 4.1Å
713	S	96.1	Very high	94.5	Very high	5 Å²	5	8.6 Å²	8.6	4%	0.035	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.4	168.1	177.4	0	0	0	0	109.1	W715 L716 H717 T718	S713-W715 PolarHBondContact O-N 2.94Å; S713-L716 CarbonylContact O-C 3.54Å; S713-L716 PolarHBondContact O-N 3.27Å; S713-H717 PolarHBondContact O-N 2.9Å; S713-T718 PolarHBondContact N-O 3.12Å
714	D	94.1	Very high	94.7	Very high	45 Å²	45	10.2 Å²	10.2	24%	0.241	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.1	175	-45.9	-93	0	0	0	111.3	S306 T310 L667 Y712 L716	S306-D714 CarbonylContact C-O 3.55Å; S306-D714 PolarHBondContact OG-O 3.31Å; S306-D714 VanDerWaalsContact OG-O 3.13Å; T310-D714 HydrophobicContact CG2-CB 4.08Å; T310-D714 VanDerWaalsContact OG1-C 3.25Å; T310-D714 WeakPolarHBondContact OG1-CB 3.31Å; T310-D714 PolarHBondContact OG1-O 2.77Å; T310-D714 VanDerWaalsContact OG1-O 3.08Å; L667-D714 HydrophobicContact CB-CB 4.37Å; L667-D714 WeakPolarHBondContact CB-OD1 3.18Å; L667-D714 PolarHBondContact N-OD1 2.91Å; Y712-D714 HydrophobicContact CD1-CB 4.48Å; Y712-D714 WeakPolarHBondContact CD1-OD1 3.46Å; Y712-D714 HydrophobicContact CE1-CB 4.17Å; Y712-D714 VanDerWaalsContact CE1-OD1 3.28Å; Y712-D714 WeakPolarHBondContact CE1-OD1 3.39Å; D714-L716 PolarHBondContact O-N 2.92Å
715	W	94.1	Very high	94.9	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.027	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.2	169.3	-65.8	121.4	0	0	0	114	A307 T310 K311 S713 P859 M861 H864	A307-W715 HydrophobicContact CB-CE3 4.13Å; A307-W715 WeakPolarHBondContact O-CZ3 3.36Å; T310-W715 HydrophobicContact CG2-CD2 3.71Å; T310-W715 HydrophobicContact CG2-CE3 3.81Å; T310-W715 HydrophobicContact CG2-CG 4.3Å; T310-W715 HydrophobicContact CG2-CH2 4.12Å; T310-W715 HydrophobicContact CG2-CZ2 4.04Å; T310-W715 HydrophobicContact CG2-CZ3 4.01Å; K311-W715 HydrophobicContact CB-CH2 4.19Å; K311-W715 HydrophobicContact CB-CZ3 4.06Å; S713-W715 PolarHBondContact O-N 2.94Å; W715-P859 PolarHBondContact NE1-O 3.28Å; W715-M861 HydrophobicContact CH2-CB 4.16Å; W715-M861 HydrophobicContact CH2-CG 3.73Å; W715-M861 HydrophobicContact CH2-SD 4.46Å; W715-M861 HydrophobicContact CZ2-CB 3.77Å; W715-M861 HydrophobicContact CZ2-CG 3.84Å; W715-M861 HydrophobicContact CZ3-CG 4.23Å; W715-H864 HydrophobicContact CB-CB 3.86Å; W715-H864 HydrophobicContact CG-CB 3.82Å
716	L	93.4	Very high	95.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-0.3	-171.2	-65.5	-178	0	0	0	114.4	I303 S713 D714 T718 F857 V865 F884	I303-L716 WeakPolarHBondContact CG1-O 3.49Å; I303-L716 HydrophobicContact CG2-CD2 4.48Å; S713-L716 CarbonylContact O-C 3.54Å; S713-L716 PolarHBondContact O-N 3.27Å; D714-L716 PolarHBondContact O-N 2.92Å; L716-T718 WeakPolarHBondContact O-CB 3.46Å; L716-T718 PolarHBondContact O-N 2.6Å; L716-T718 PolarHBondContact O-OG1 3.34Å; L716-F857 HydrophobicContact CD1-CD1 4.22Å; L716-F857 HydrophobicContact CD1-CE1 3.87Å; L716-V865 HydrophobicContact CD1-CG1 4.3Å; L716-V865 HydrophobicContact CD2-CG1 4.22Å; L716-F884 HydrophobicContact CB-CD1 4.42Å; L716-F884 HydrophobicContact CD1-CG 4.39Å; L716-F884 HydrophobicContact CD2-CB 3.66Å; L716-F884 HydrophobicContact CD2-CD1 3.93Å; L716-F884 HydrophobicContact CD2-CG 3.91Å
717	H	93.4	Very high	95.3	Very high	13 Å²	13	10.8 Å²	10.8	6%	0.06	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	34.5	-171.6	-164.7	68.7	0	0	0	113.4	T302 D668 Y712 S713 L733	T302-H717 HydrophobicContact CG2-CB 4.5Å; T302-H717 WeakPolarHBondContact CG2-CD2 3.14Å; D668-H717 IonicContact OD2-CE1 2.68Å; D668-H717 PolarHBondContact OD2-CE1 2.84Å; D668-H717 IonicContact OD2-CG 3.08Å; D668-H717 IonicContact OD2-ND1 3.79Å; D668-H717 PolarHBondContact OD2-ND1 2.75Å; Y712-H717 WeakPolarHBondContact OH-CA 3.49Å; Y712-H717 PolarHBondContact OH-ND1 2.72Å; S713-H717 PolarHBondContact O-N 2.9Å; H717-L733 PolarHBondContact O-N 3.01Å
718	T	94.9	Very high	95.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.7	-165.3	-66.4	0	0	0	0	110.5	Y712 S713 L716 L730 F857 F884	Y712-T718 VanDerWaalsContact CD2-O 3.23Å; Y712-T718 WeakPolarHBondContact CD2-O 3.26Å; S713-T718 PolarHBondContact N-O 3.12Å; L716-T718 WeakPolarHBondContact O-CB 3.46Å; L716-T718 PolarHBondContact O-N 2.6Å; L716-T718 PolarHBondContact O-OG1 3.34Å; T718-L730 HydrophobicContact CG2-CB 4.2Å; T718-L730 HydrophobicContact CG2-CD2 4.17Å; T718-F857 HydrophobicContact CG2-CZ 3.99Å; T718-F884 HydrophobicContact CG2-CE1 4.49Å; T718-F884 HydrophobicContact CG2-CZ 3.97Å; T718-F884 VanDerWaalsContact OG1-CE1 3.25Å; T718-F884 WeakPolarHBondContact OG1-CE1 3.48Å
719	V	96.3	Very high	95.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.9	171.2	64.5	0	0	0	0	110.2	L673 V688 A700 I701 L710 S711 Y712 L730 S731 L733	L673-V719 HydrophobicContact CD1-CB 4.04Å; L673-V719 HydrophobicContact CD1-CG2 3.86Å; V688-V719 HydrophobicContact CG1-CG2 4.24Å; A700-V719 HydrophobicContact CB-CG1 4.06Å; I701-V719 HydrophobicContact CD1-CG1 4.26Å; L710-V719 HydrophobicContact CD1-CG2 3.33Å; S711-V719 CarbonylContact O-C 3.56Å; S711-V719 WeakPolarHBondContact O-CA 3.48Å; Y712-V719 HydrophobicContact CD2-CB 4.15Å; V719-L730 CarbonylContact O-C 3.55Å; V719-L730 WeakPolarHBondContact O-CA 3.47Å; V719-S731 WeakPolarHBondContact CG1-O 3.36Å; V719-S731 PolarHBondContact N-O 3.1Å; V719-S731 PolarHBondContact O-N 2.84Å; V719-L733 HydrophobicContact CB-CD2 4.4Å; V719-L733 HydrophobicContact CG1-CD2 3.74Å
720	M	96.8	Very high	95.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.8	175	179.3	176	60.8	0	0	109.2	S711 L728 I729 L730 A855 F857 V867	S711-M720 PolarHBondContact N-O 3.45Å; S711-M720 PolarHBondContact O-N 2.88Å; M720-L728 HydrophobicContact CG-CD1 3.78Å; M720-L728 HydrophobicContact CG-CG 4.21Å; M720-L728 HydrophobicContact SD-CD1 3.78Å; M720-L728 HydrophobicContact SD-CD2 3.97Å; M720-L728 HydrophobicContact SD-CG 4.03Å; M720-I729 CarbonylContact C-O 3.51Å; M720-I729 VanDerWaalsContact CA-O 3.3Å; M720-I729 WeakPolarHBondContact CA-O 3.41Å; M720-L730 HydrophobicContact CB-CG 4.2Å; M720-L730 HydrophobicContact CG-CD1 4.23Å; M720-L730 HydrophobicContact CG-CG 4.18Å; M720-L730 HydrophobicContact SD-CD1 4.38Å; M720-A855 HydrophobicContact CE-CB 3.83Å; M720-A855 HydrophobicContact SD-CB 4.42Å; M720-F857 HydrophobicContact CB-CD2 4.3Å; M720-F857 HydrophobicContact CB-CE2 3.48Å; M720-F857 VanDerWaalsContact CB-CE2 3.48Å; M720-F857 HydrophobicContact CB-CZ 3.84Å; M720-F857 HydrophobicContact CE-CD2 4.09Å; M720-F857 HydrophobicContact CE-CE2 4.25Å; M720-F857 HydrophobicContact CE-CG 4.38Å; M720-V867 HydrophobicContact CE-CB 4.07Å; M720-V867 HydrophobicContact CE-CG1 3.85Å; M720-V867 HydrophobicContact SD-CB 3.97Å; M720-V867 HydrophobicContact SD-CG1 3.74Å; M720-V867 HydrophobicContact SD-CG2 4.36Å
721	S	96.6	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	176	63.1	0	0	0	0	112.1	I701 S709 I729	I701-S721 VanDerWaalsContact CD1-OG 3.24Å; I701-S721 WeakPolarHBondContact CD1-OG 3.49Å; S709-S721 WeakPolarHBondContact O-CA 3.39Å; S721-I729 PolarHBondContact N-O 2.7Å; S721-I729 PolarHBondContact O-N 2.93Å
722	S	96.4	Very high	94.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.8	169.8	77.1	0	0	0	0	110.9	V707 W708 S709 L852	V707-S722 WeakPolarHBondContact CG1-O 3.5Å; W708-S722 PolarHBondContact N-O 3.08Å; S709-S722 WeakPolarHBondContact CB-OG 3.48Å; S709-S722 PolarHBondContact N-O 3.46Å; S709-S722 VanDerWaalsContact N-O 3.15Å; S709-S722 PolarHBondContact O-N 3.18Å; S722-L852 CarbonylContact C-O 3.53Å; S722-L852 WeakPolarHBondContact CB-O 3.43Å; S722-L852 PolarHBondContact OG-O 2.98Å
723	D	94.2	Very high	94.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-178.9	-166.7	64.7	56.4	0	0	0	114.5	R703 S706 V707 L725 G726 L852	R703-D723 IonicContact CZ-OD2 2.78Å; R703-D723 IonicContact NE-OD2 2.8Å; R703-D723 PolarHBondContact NE-OD2 3.5Å; R703-D723 VanDerWaalsContact NH2-CG 3.27Å; R703-D723 IonicContact NH2-OD1 2.76Å; R703-D723 PolarHBondContact NH2-OD1 2.85Å; R703-D723 VanDerWaalsContact NH2-OD1 3.16Å; R703-D723 IonicContact NH2-OD2 3.46Å; R703-D723 PolarHBondContact NH2-OD2 3.07Å; S706-D723 WeakPolarHBondContact O-CA 3.44Å; S706-D723 VanDerWaalsContact O-CB 3.3Å; S706-D723 WeakPolarHBondContact O-CB 3.47Å; V707-D723 HydrophobicContact CG2-CB 4.32Å; D723-L725 PolarHBondContact O-N 2.93Å; D723-L725 WeakPolarHBondContact OD1-CB 3.25Å; D723-L725 PolarHBondContact OD1-N 3.49Å; D723-G726 PolarHBondContact O-N 2.88Å; D723-L852 PolarHBondContact O-N 3.32Å
724	M	93.6	Very high	93.8	Very high	34 Å²	34	7.6 Å²	7.6	17%	0.167	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	-176.8	-161.9	66.6	163.3	0	0	114.7	S706 W708 T842 P848 A851	S706-M724 PolarHBondContact O-N 2.8Å; S706-M724 VanDerWaalsContact O-N 3.15Å; W708-M724 HydrophobicContact CZ2-SD 4.1Å; W708-M724 PolarHBondContact NE1-SD 2.97Å; M724-T842 HydrophobicContact CG-CG2 4.14Å; M724-P848 HydrophobicContact CE-CB 3.54Å; M724-P848 HydrophobicContact CE-CG 3.91Å; M724-P848 HydrophobicContact SD-CB 3.9Å; M724-P848 HydrophobicContact SD-CG 4.48Å; M724-A851 HydrophobicContact SD-CB 3.98Å
725	L	93.2	Very high	92.6	Very high	37 Å²	37	7.4 Å²	7.4	19%	0.194	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.4	179.9	-62	-180	0	0	0	113.3	T705 D723 E727 A840 T842	T705-L725 HydrophobicContact CG2-CD1 3.92Å; T705-L725 HydrophobicContact CG2-CD2 4.1Å; T705-L725 HydrophobicContact CG2-CG 3.91Å; D723-L725 PolarHBondContact O-N 2.93Å; D723-L725 WeakPolarHBondContact OD1-CB 3.25Å; D723-L725 PolarHBondContact OD1-N 3.49Å; L725-E727 HydrophobicContact CB-CG 4.34Å; L725-A840 HydrophobicContact CD1-CB 3.53Å; L725-T842 HydrophobicContact CD2-CG2 4.36Å; L725-T842 WeakPolarHBondContact CD2-OG1 3.24Å
726	G	94.6	Very high	90.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.			trans	78.8	21.5	-176.5	0	0	0	0	0	114.5	D723 T753 A850	D723-G726 PolarHBondContact O-N 2.88Å; G726-T753 VanDerWaalsContact O-CB 3.31Å; G726-T753 WeakPolarHBondContact O-CB 3.49Å; G726-T753 PolarHBondContact O-N 2.98Å; G726-T753 PolarHBondContact O-OG1 2.92Å; G726-A850 WeakPolarHBondContact CA-O 3.49Å
727	E	95.4	Very high	89	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.7	170.6	-56.6	-169.6	154.9	0	0	110.4	R703 L725 I729 I752 H832 T836	R703-E727 IonicContact CZ-OE2 3.84Å; R703-E727 IonicContact NH1-OE2 2.7Å; R703-E727 PolarHBondContact NH1-OE2 3.14Å; R703-E727 IonicContact NH2-OE2 3.81Å; R703-E727 PolarHBondContact NH2-OE2 3.19Å; L725-E727 HydrophobicContact CB-CG 4.34Å; E727-I729 HydrophobicContact CB-CD1 4.33Å; E727-I729 HydrophobicContact CB-CG1 4.21Å; E727-I752 HydrophobicContact CB-CG1 4.47Å; E727-I752 HydrophobicContact CG-CB 4.5Å; E727-I752 HydrophobicContact CG-CG1 4Å; E727-I752 HydrophobicContact CG-CG2 4.2Å; E727-H832 IonicContact OE1-CD2 3.62Å; E727-H832 PolarHBondContact OE1-CD2 3.41Å; E727-H832 VanDerWaalsContact OE1-CD2 3.28Å; E727-H832 IonicContact OE1-NE2 2.87Å; E727-T836 VanDerWaalsContact CD-OG1 3.28Å; E727-T836 WeakPolarHBondContact OE1-CG2 3.28Å; E727-T836 PolarHBondContact OE1-OG1 2.83Å; E727-T836 PolarHBondContact OE2-OG1 2.85Å
728	L	96.8	Very high	87.2	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	98.9	170.9	-173.2	70	0	0	0	109.3	M720 P749 A750 Y751 L852 A855 V867	M720-L728 HydrophobicContact CG-CD1 3.78Å; M720-L728 HydrophobicContact CG-CG 4.21Å; M720-L728 HydrophobicContact SD-CD1 3.78Å; M720-L728 HydrophobicContact SD-CD2 3.97Å; M720-L728 HydrophobicContact SD-CG 4.03Å; L728-P749 CarbonylContact O-C 3.57Å; L728-P749 WeakPolarHBondContact O-CA 3.38Å; L728-A750 HydrophobicContact CD2-CB 4.2Å; L728-A750 PolarHBondContact O-N 2.78Å; L728-Y751 HydrophobicContact CB-CD1 3.96Å; L728-Y751 HydrophobicContact CB-CE1 3.72Å; L728-Y751 HydrophobicContact CB-CG 4.49Å; L728-Y751 HydrophobicContact CD2-CD1 3.99Å; L728-Y751 HydrophobicContact CD2-CE1 3.45Å; L728-Y751 VanDerWaalsContact CD2-CE1 3.45Å; L728-Y751 HydrophobicContact CG-CE1 4.21Å; L728-Y751 PolarHBondContact N-O 3.4Å; L728-L852 HydrophobicContact CB-CD1 4.32Å; L728-A855 HydrophobicContact CD1-CB 3.64Å; L728-V867 HydrophobicContact CD2-CG2 4.5Å
729	I	96.1	Very high	85.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.4	-172.9	-58.7	166.9	0	0	0	110.4	I701 M720 S721 E727 M833	I701-I729 HydrophobicContact CD1-CB 4.36Å; I701-I729 HydrophobicContact CD1-CG2 4.01Å; I701-I729 HydrophobicContact CG1-CG2 4.27Å; I701-I729 HydrophobicContact CG2-CB 4.25Å; I701-I729 HydrophobicContact CG2-CD1 4.2Å; I701-I729 HydrophobicContact CG2-CG2 3.85Å; M720-I729 CarbonylContact C-O 3.51Å; M720-I729 VanDerWaalsContact CA-O 3.3Å; M720-I729 WeakPolarHBondContact CA-O 3.41Å; S721-I729 PolarHBondContact N-O 2.7Å; S721-I729 PolarHBondContact O-N 2.93Å; E727-I729 HydrophobicContact CB-CD1 4.33Å; E727-I729 HydrophobicContact CB-CG1 4.21Å; I729-M833 HydrophobicContact CD1-CG 3.89Å; I729-M833 HydrophobicContact CD1-SD 4.42Å; I729-M833 HydrophobicContact CG1-CG 4.19Å; I729-M833 HydrophobicContact CG1-SD 4.28Å; I729-M833 HydrophobicContact CG2-SD 3.81Å
730	L	95.6	Very high	83.7	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.6	169.9	-70.6	79.7	0	0	0	109.9	T718 V719 M720 R747 F748 A750 F857 F884	T718-L730 HydrophobicContact CG2-CB 4.2Å; T718-L730 HydrophobicContact CG2-CD2 4.17Å; V719-L730 CarbonylContact O-C 3.55Å; V719-L730 WeakPolarHBondContact O-CA 3.47Å; M720-L730 HydrophobicContact CB-CG 4.2Å; M720-L730 HydrophobicContact CG-CD1 4.23Å; M720-L730 HydrophobicContact CG-CG 4.18Å; M720-L730 HydrophobicContact SD-CD1 4.38Å; L730-R747 VanDerWaalsContact O-CA 3.29Å; L730-R747 WeakPolarHBondContact O-CA 3.42Å; L730-F748 HydrophobicContact CB-CD2 4.17Å; L730-F748 HydrophobicContact CB-CE2 3.65Å; L730-F748 HydrophobicContact CB-CZ 3.94Å; L730-F748 HydrophobicContact CD1-CE2 4.44Å; L730-F748 HydrophobicContact CD2-CE2 4.06Å; L730-F748 HydrophobicContact CD2-CZ 4.45Å; L730-F748 HydrophobicContact CG-CE2 4.26Å; L730-F748 PolarHBondContact N-O 3.24Å; L730-F748 PolarHBondContact O-N 3.21Å; L730-A750 HydrophobicContact CD1-CB 3.64Å; L730-F857 HydrophobicContact CD2-CE1 4.27Å; L730-F857 HydrophobicContact CD2-CZ 4.01Å; L730-F884 HydrophobicContact CD2-CE2 4.4Å
731	S	93.9	Very high	81.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.8	171.9	-175.1	0	0	0	0	110.2	A700 V719 R746	A700-S731 PolarHBondContact O-OG 3.31Å; V719-S731 WeakPolarHBondContact CG1-O 3.36Å; V719-S731 PolarHBondContact N-O 3.1Å; V719-S731 PolarHBondContact O-N 2.84Å; S731-R746 WeakPolarHBondContact CA-O 3.08Å
732	I	91.8	Very high	80	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.7	168.6	-43	177.1	0	0	0	107.3	I295 T299 I303 R746 F748 F884	I295-I732 HydrophobicContact CD1-CD1 4.41Å; I295-I732 HydrophobicContact CG2-CD1 4.13Å; T299-I732 HydrophobicContact CG2-CB 4.2Å; T299-I732 HydrophobicContact CG2-CD1 3.87Å; T299-I732 HydrophobicContact CG2-CG2 3.63Å; I303-I732 HydrophobicContact CD1-CD1 4.47Å; I303-I732 HydrophobicContact CD1-CG2 4.5Å; I732-R746 PolarHBondContact N-O 3.04Å; I732-R746 WeakPolarHBondContact O-CB 3.48Å; I732-F748 HydrophobicContact CD1-CE1 4.49Å; I732-F748 HydrophobicContact CG1-CE1 4.38Å; I732-F884 HydrophobicContact CD1-CE1 3.78Å; I732-F884 HydrophobicContact CD1-CZ 4.07Å; I732-F884 HydrophobicContact CG1-CE1 3.9Å; I732-F884 HydrophobicContact CG1-CZ 3.97Å
733	L	88.7	Confident	78.8	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66	149.9	-175	-64.4	-175.2	0	0	0	111.4	L673 A700 Y712 H717 V719 R746	L673-L733 HydrophobicContact CD2-CD2 4.34Å; A700-L733 HydrophobicContact CB-CD2 3.99Å; Y712-L733 HydrophobicContact CD2-CD1 4.36Å; Y712-L733 HydrophobicContact CE2-CD1 3.53Å; Y712-L733 HydrophobicContact CE2-CG 4.1Å; H717-L733 PolarHBondContact O-N 3.01Å; V719-L733 HydrophobicContact CB-CD2 4.4Å; V719-L733 HydrophobicContact CG1-CD2 3.74Å; L733-R746 PolarHBondContact O-NH1 2.84Å
734	P	79.9	Confident	77.9	Confident	13 Å²	13	48 Å²	48	8%	0.084	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.8	136.8	172.3	30.1	-34	0	0	0	110.7	Y698 C738 T743	Y698-P734 HydrophobicContact CE1-CG 4.32Å; Y698-P734 HydrophobicContact CE2-CG 3.79Å; Y698-P734 WeakPolarHBondContact OH-CD 3.45Å; P734-C738 HydrophobicContact CB-CB 4.27Å; P734-T743 HydrophobicContact CG-CG2 4.43Å
735	L	68.4	Low	77.1	Confident	41 Å²	41	51.6 Å²	51.6	22%	0.215	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-51.7	147.2	166	-82.5	167.2	0	0	0	110.6	T302 N737 C738	T302-L735 HydrophobicContact CG2-CD2 3.56Å; T302-L735 HydrophobicContact CG2-CG 4.02Å; T302-L735 WeakPolarHBondContact OG1-CD1 3.42Å; T302-L735 WeakPolarHBondContact OG1-CD2 3.42Å; T302-L735 VanDerWaalsContact OG1-CG 3.27Å; T302-L735 WeakPolarHBondContact OG1-CG 3.42Å; L735-N737 PolarHBondContact O-N 3.11Å; L735-C738 HydrophobicContact CB-CB 4.47Å; L735-C738 WeakPolarHBondContact O-CB 3.49Å; L735-C738 PolarHBondContact O-N 2.77Å
736	P	59.1	Low	76.7	Confident	122 Å²	122	51.9 Å²	51.9	79%	0.792	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-20.5	-177.3	-29.5	35.9	0	0	0	116.1
737	N	54.3	Low	76.5	Confident	152 Å²	152	52.4 Å²	52.4	81%	0.813	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	1	-179.5	-61.5	-15.1	0	0	0	113.6	L735	L735-N737 PolarHBondContact O-N 3.11Å
738	C	54.8	Low	76.4	Confident	53 Å²	53	52.5 Å²	52.5	36%	0.358	28%	0.282	S	S	.	.	S	Bend	trans	-85.1	140.9	178.3	-77.9	0	0	0	0	112.1	P734 L735 V740	P734-C738 HydrophobicContact CB-CB 4.27Å; L735-C738 HydrophobicContact CB-CB 4.47Å; L735-C738 WeakPolarHBondContact O-CB 3.49Å; L735-C738 PolarHBondContact O-N 2.77Å; C738-V740 PolarHBondContact O-N 3.43Å
739	S	56.1	Low	76.3	Confident	84 Å²	84	52.5 Å²	52.5	59%	0.587	28%	0.282	S	S	*	.			trans	-65.5	120.6	173.4	-177.5	0	0	0	0	111.4	K741 K742	S739-K741 PolarHBondContact O-N 3.48Å; S739-K742 PolarHBondContact O-N 3.01Å
740	V	61.2	Low	76.2	Confident	66 Å²	66	52.6 Å²	52.6	40%	0.4	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-56.5	-21.4	177.4	176.3	0	0	0	0	112.5	Y698 C738 K742 T743	Y698-V740 HydrophobicContact CD1-CG2 4.47Å; Y698-V740 HydrophobicContact CG-CG1 4.29Å; Y698-V740 HydrophobicContact CG-CG2 4.33Å; C738-V740 PolarHBondContact O-N 3.43Å; V740-K742 PolarHBondContact O-N 2.91Å; V740-T743 HydrophobicContact CG1-CG2 4.32Å; V740-T743 WeakPolarHBondContact O-CG2 3.39Å; V740-T743 PolarHBondContact O-N 3.45Å; V740-T743 PolarHBondContact O-OG1 3.44Å
741	K	53.6	Low	76.2	Confident	193 Å²	193	52.6 Å²	52.6	84%	0.839	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-60	-9	177.1	-65.7	-168.4	175.2	-171.1	0	114.9	S739	S739-K741 PolarHBondContact O-N 3.48Å
742	K	62.7	Low	76.2	Confident	150 Å²	150	52.9 Å²	52.9	65%	0.652	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-116.2	23.3	179	-64.3	-169.3	176.4	-175	0	114.7	S739 V740 S744	S739-K742 PolarHBondContact O-N 3.01Å; V740-K742 PolarHBondContact O-N 2.91Å; K742-S744 VanDerWaalsContact C-N 3.32Å; K742-S744 PolarHBondContact O-N 2.98Å
743	T	70.9	Confident	76.4	Confident	19 Å²	19	52.9 Å²	52.9	12%	0.117	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65	-28.5	178.7	50.6	0	0	0	0	114.3	P734 V740 L745 R746 R747	P734-T743 HydrophobicContact CG-CG2 4.43Å; V740-T743 HydrophobicContact CG1-CG2 4.32Å; V740-T743 WeakPolarHBondContact O-CG2 3.39Å; V740-T743 PolarHBondContact O-N 3.45Å; V740-T743 PolarHBondContact O-OG1 3.44Å; T743-L745 VanDerWaalsContact C-N 3.26Å; T743-L745 PolarHBondContact O-N 2.91Å; T743-R746 WeakPolarHBondContact O-CA 3.37Å; T743-R746 WeakPolarHBondContact O-CB 3.43Å; T743-R746 PolarHBondContact O-N 2.99Å; T743-R747 PolarHBondContact OG1-NH1 2.86Å
744	S	75.8	Confident	76.6	Confident	33 Å²	33	54.1 Å²	54.1	23%	0.231	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.8	-32.7	179.5	49.5	0	0	0	0	114.1	K742 R746 R747	K742-S744 VanDerWaalsContact C-N 3.32Å; K742-S744 PolarHBondContact O-N 2.98Å; S744-R746 PolarHBondContact O-N 3.21Å; S744-R747 PolarHBondContact O-N 3.45Å
745	L	77.1	Confident	77.2	Confident	110 Å²	110	56.2 Å²	56.2	58%	0.576	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-76.6	-3.6	175.6	-62.1	176.1	0	0	0	113.6	T743 W830	T743-L745 VanDerWaalsContact C-N 3.26Å; T743-L745 PolarHBondContact O-N 2.91Å; L745-W830 HydrophobicContact CD2-CZ2 4.25Å
746	R	84.7	Confident	78.3	Confident	42 Å²	42	56.4 Å²	56.4	16%	0.158	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-105.8	-1.7	175	-60.1	178.5	170.8	-85.4	-21.5	112.9	T299 S731 I732 L733 T743 S744	T299-R746 VanDerWaalsContact CG2-NH1 3.34Å; T299-R746 PolarHBondContact OG1-NH1 2.99Å; T299-R746 PolarHBondContact OG1-NH2 2.96Å; S731-R746 WeakPolarHBondContact CA-O 3.08Å; I732-R746 PolarHBondContact N-O 3.04Å; I732-R746 WeakPolarHBondContact O-CB 3.48Å; L733-R746 PolarHBondContact O-NH1 2.84Å; T743-R746 WeakPolarHBondContact O-CA 3.37Å; T743-R746 WeakPolarHBondContact O-CB 3.43Å; T743-R746 PolarHBondContact O-N 2.99Å; S744-R746 PolarHBondContact O-N 3.21Å
747	R	90.6	Very high	79.9	Confident	11 Å²	11	54.2 Å²	54.2	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.8	-179.4	-65.4	-162.1	-63.8	-87.5	4.5	112.4	A700 L730 T743 S744 W830 M833 E837	A700-R747 WeakPolarHBondContact O-CD 3.43Å; L730-R747 VanDerWaalsContact O-CA 3.29Å; L730-R747 WeakPolarHBondContact O-CA 3.42Å; T743-R747 PolarHBondContact OG1-NH1 2.86Å; S744-R747 PolarHBondContact O-N 3.45Å; R747-W830 VanDerWaalsContact O-CD1 3.27Å; R747-W830 PolarHBondContact O-NE1 3.18Å; R747-M833 HydrophobicContact CB-CE 3.86Å; R747-M833 HydrophobicContact CB-SD 4.17Å; R747-E837 IonicContact CZ-OE1 3.99Å; R747-E837 VanDerWaalsContact CZ-OE1 3.27Å; R747-E837 IonicContact CZ-OE2 3.9Å; R747-E837 IonicContact NE-OE1 2.82Å; R747-E837 PolarHBondContact NE-OE1 3.24Å; R747-E837 IonicContact NE-OE2 2.63Å; R747-E837 IonicContact NH2-OE1 2.68Å; R747-E837 PolarHBondContact NH2-OE1 2.81Å; R747-E837 IonicContact NH2-OE2 3.38Å; R747-E837 PolarHBondContact NH2-OE2 2.79Å
748	F	92.5	Very high	81.6	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	148.2	171.8	47.5	-90.5	0	0	0	111.1	L730 I732 L816 M818 L821 L824 F884	L730-F748 HydrophobicContact CB-CD2 4.17Å; L730-F748 HydrophobicContact CB-CE2 3.65Å; L730-F748 HydrophobicContact CB-CZ 3.94Å; L730-F748 HydrophobicContact CD1-CE2 4.44Å; L730-F748 HydrophobicContact CD2-CE2 4.06Å; L730-F748 HydrophobicContact CD2-CZ 4.45Å; L730-F748 HydrophobicContact CG-CE2 4.26Å; L730-F748 PolarHBondContact N-O 3.24Å; L730-F748 PolarHBondContact O-N 3.21Å; I732-F748 HydrophobicContact CD1-CE1 4.49Å; I732-F748 HydrophobicContact CG1-CE1 4.38Å; F748-L816 HydrophobicContact CB-CD2 3.81Å; F748-L816 HydrophobicContact CD2-CD2 4.15Å; F748-L816 HydrophobicContact CG-CD2 4.29Å; F748-M818 HydrophobicContact CD2-CE 4.4Å; F748-M818 HydrophobicContact CD2-SD 3.87Å; F748-M818 HydrophobicContact CE2-CE 3.62Å; F748-M818 HydrophobicContact CE2-SD 3.69Å; F748-M818 HydrophobicContact CZ-CE 4.35Å; F748-L821 HydrophobicContact CD1-CD1 3.94Å; F748-L821 HydrophobicContact CD2-CD2 4.3Å; F748-L821 HydrophobicContact CE1-CD1 3.54Å; F748-L821 HydrophobicContact CE2-CD1 4.24Å; F748-L821 HydrophobicContact CG-CD1 4.46Å; F748-L821 HydrophobicContact CG-CD2 4.34Å; F748-L821 HydrophobicContact CZ-CD1 3.7Å; F748-L824 HydrophobicContact CB-CD1 3.79Å; F748-L824 HydrophobicContact CB-CD2 3.93Å; F748-L824 HydrophobicContact CB-CG 4.47Å; F748-L824 HydrophobicContact CD1-CD2 4.23Å; F748-F884 AromaticContact CZ-CE2 3.88Å; F748-F884 HydrophobicContact CZ-CE2 3.88Å; F748-F884 AromaticContact CZ-CZ 3.86Å; F748-F884 HydrophobicContact CZ-CZ 3.86Å
749	P	94	Very high	82.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.3	166.6	32.1	-32.1	0	0	0	109.7	L728 I752 L816 L829 M833	L728-P749 CarbonylContact O-C 3.57Å; L728-P749 WeakPolarHBondContact O-CA 3.38Å; P749-I752 HydrophobicContact CB-CD1 4.11Å; P749-I752 HydrophobicContact CB-CG1 3.97Å; P749-I752 HydrophobicContact CG-CD1 4.04Å; P749-I752 HydrophobicContact CG-CG1 4.44Å; P749-L816 WeakPolarHBondContact O-CB 3.38Å; P749-L816 WeakPolarHBondContact O-CD2 3.46Å; P749-L829 HydrophobicContact CG-CB 3.94Å; P749-M833 HydrophobicContact CG-CB 4.39Å
750	A	94.3	Very high	82.7	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-42.6	160.2	0	0	0	0	0	110.1	L728 L730 L816	L728-A750 HydrophobicContact CD2-CB 4.2Å; L728-A750 PolarHBondContact O-N 2.78Å; L730-A750 HydrophobicContact CD1-CB 3.64Å; A750-L816 PolarHBondContact O-N 3.38Å
751	Y	95.1	Very high	81.8	Confident	1 Å²	1	63 Å²	63	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.6	168.2	67.3	-90.1	0	0	0	111.1	L728 T753 F813 K814 D815 L852 S869 H879	L728-Y751 HydrophobicContact CB-CD1 3.96Å; L728-Y751 HydrophobicContact CB-CE1 3.72Å; L728-Y751 HydrophobicContact CB-CG 4.49Å; L728-Y751 HydrophobicContact CD2-CD1 3.99Å; L728-Y751 HydrophobicContact CD2-CE1 3.45Å; L728-Y751 VanDerWaalsContact CD2-CE1 3.45Å; L728-Y751 HydrophobicContact CG-CE1 4.21Å; L728-Y751 PolarHBondContact N-O 3.4Å; Y751-T753 WeakPolarHBondContact CE2-OG1 3.46Å; Y751-F813 AromaticContact CD2-CD1 3.83Å; Y751-F813 HydrophobicContact CD2-CD1 3.83Å; Y751-F813 AromaticContact CE2-CD1 3.75Å; Y751-F813 HydrophobicContact CE2-CD1 3.75Å; Y751-F813 AromaticContact CE2-CE1 3.97Å; Y751-F813 HydrophobicContact CE2-CE1 3.97Å; Y751-K814 VanDerWaalsContact CA-O 3.25Å; Y751-K814 WeakPolarHBondContact CA-O 3.17Å; Y751-K814 WeakPolarHBondContact CB-O 3.3Å; Y751-D815 WeakPolarHBondContact CB-OD1 3.41Å; Y751-L852 HydrophobicContact CE2-CD1 3.88Å; Y751-L852 WeakPolarHBondContact OH-CD1 3.2Å; Y751-L852 WeakPolarHBondContact OH-CD2 3.45Å; Y751-S869 WeakPolarHBondContact CE1-OG 3.48Å; Y751-S869 WeakPolarHBondContact OH-CB 3.42Å; Y751-S869 PolarHBondContact OH-OG 2.76Å; Y751-H879 AromaticContact CD1-CD2 3.85Å; Y751-H879 AromaticContact CD1-CE1 3.55Å; Y751-H879 AromaticContact CD1-NE2 3.09Å; Y751-H879 WeakPolarHBondContact CD1-NE2 3.05Å; Y751-H879 AromaticContact CE1-CD2 3.84Å; Y751-H879 AromaticContact CE1-NE2 3.36Å; Y751-H879 WeakPolarHBondContact CE1-NE2 3.48Å; Y751-H879 AromaticContact CG-NE2 3.98Å
752	I	95.7	Very high	81	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.4	170.1	-69.1	154.6	0	0	0	107.7	E727 P749 K814 L829 H832	E727-I752 HydrophobicContact CB-CG1 4.47Å; E727-I752 HydrophobicContact CG-CB 4.5Å; E727-I752 HydrophobicContact CG-CG1 4Å; E727-I752 HydrophobicContact CG-CG2 4.2Å; P749-I752 HydrophobicContact CB-CD1 4.11Å; P749-I752 HydrophobicContact CB-CG1 3.97Å; P749-I752 HydrophobicContact CG-CD1 4.04Å; P749-I752 HydrophobicContact CG-CG1 4.44Å; I752-K814 PolarHBondContact N-O 2.82Å; I752-K814 PolarHBondContact O-N 3.21Å; I752-L829 HydrophobicContact CD1-CB 4.02Å; I752-L829 HydrophobicContact CD1-CD2 4.07Å; I752-L829 WeakPolarHBondContact CD1-O 3.22Å; I752-H832 HydrophobicContact CD1-CB 4.06Å
753	T	95.6	Very high	79.7	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.3	175.4	-43.3	0	0	0	0	109	G726 Y751 L811 F813 A850	G726-T753 VanDerWaalsContact O-CB 3.31Å; G726-T753 WeakPolarHBondContact O-CB 3.49Å; G726-T753 PolarHBondContact O-N 2.98Å; G726-T753 PolarHBondContact O-OG1 2.92Å; Y751-T753 WeakPolarHBondContact CE2-OG1 3.46Å; T753-L811 HydrophobicContact CG2-CB 4.21Å; T753-L811 HydrophobicContact CG2-CD2 4.09Å; T753-F813 HydrophobicContact CG2-CD1 3.87Å; T753-F813 HydrophobicContact CG2-CE1 3.68Å; T753-F813 HydrophobicContact CG2-CG 4.42Å; T753-F813 HydrophobicContact CG2-CZ 4.09Å; T753-F813 WeakPolarHBondContact OG1-CD1 3.49Å; T753-F813 WeakPolarHBondContact OG1-CE1 3.39Å; T753-A850 HydrophobicContact CG2-CB 4.2Å
754	S	92.4	Very high	77.9	Confident	28 Å²	28	67.2 Å²	67.2	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.6	174.1	56.1	0	0	0	0	111.3	E756 H812 K814	S754-E756 PolarHBondContact OG-OE1 2.81Å; S754-H812 PolarHBondContact N-O 3.29Å; S754-H812 PolarHBondContact O-N 2.81Å; S754-H812 PolarHBondContact OG-O 2.84Å; S754-K814 WeakPolarHBondContact OG-CE 3.23Å; S754-K814 PolarHBondContact OG-NZ 3.49Å
755	L	92.6	Very high	75.8	Confident	56 Å²	56	73.3 Å²	73.3	29%	0.293	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122	173.1	-167.1	70.3	0	0	0	109.4	F799 Y809 L811 L849	L755-F799 HydrophobicContact CD2-CE1 4.43Å; L755-F799 HydrophobicContact CD2-CZ 3.93Å; L755-Y809 VanDerWaalsContact CD1-CB 3.46Å; L755-Y809 HydrophobicContact CD1-CG 4.07Å; L755-Y809 HydrophobicContact CD2-CD1 4.04Å; L755-Y809 HydrophobicContact CD2-CD2 4.19Å; L755-Y809 HydrophobicContact CD2-CG 3.85Å; L755-Y809 HydrophobicContact CG-CD1 3.8Å; L755-Y809 HydrophobicContact CG-CG 3.72Å; L755-L811 HydrophobicContact CD1-CD2 4.36Å; L755-L849 HydrophobicContact CD1-CB 4.34Å; L755-L849 HydrophobicContact CD1-CD2 3.62Å
756	E	92.4	Very high	73.8	Confident	46 Å²	46	78.1 Å²	78.1	22%	0.215	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.3	-179	-71.1	-179.1	-177.6	0	0	110.3	S754 Y809 Y810 H812 K814	S754-E756 PolarHBondContact OG-OE1 2.81Å; E756-Y809 CarbonylContact O-C 3.49Å; E756-Y809 VanDerWaalsContact O-CA 3.3Å; E756-Y809 WeakPolarHBondContact O-CA 3.38Å; E756-Y810 HydrophobicContact CB-CD2 4.48Å; E756-Y810 HydrophobicContact CB-CE1 4.05Å; E756-Y810 HydrophobicContact CB-CE2 3.94Å; E756-Y810 PolarHBondContact N-O 3.43Å; E756-Y810 WeakPolarHBondContact O-CD1 3.33Å; E756-Y810 PolarHBondContact O-N 2.99Å; E756-Y810 PolarHBondContact OE2-OH 3.36Å; E756-H812 HydrophobicContact CG-CB 4.14Å; E756-H812 IonicContact OE1-CG 2.65Å; E756-H812 IonicContact OE1-ND1 3.82Å; E756-H812 PolarHBondContact OE1-ND1 3.46Å; E756-H812 VanDerWaalsContact OE1-ND1 3.1Å; E756-H812 WeakPolarHBondContact OE2-CB 3.2Å; E756-H812 IonicContact OE2-CE1 3.72Å; E756-H812 IonicContact OE2-CG 2.78Å; E756-H812 IonicContact OE2-ND1 3.77Å; E756-H812 PolarHBondContact OE2-ND1 3.35Å; E756-K814 WeakPolarHBondContact OE1-CE 3.39Å; E756-K814 IonicContact OE1-NZ 2.72Å; E756-K814 PolarHBondContact OE1-NZ 3.07Å
757	P	91.7	Very high	71.1	Confident	76 Å²	76	79.1 Å²	79.1	49%	0.494	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.8	-179	29.3	-34.1	0	0	0	110.5	K808 Y809 Y810	P757-K808 WeakPolarHBondContact CA-O 3.44Å; P757-Y809 HydrophobicContact CB-CD1 3.96Å; P757-Y809 HydrophobicContact CB-CE1 3.73Å; P757-Y809 HydrophobicContact CG-CE1 4.47Å; P757-Y810 VanDerWaalsContact O-CE1 3.26Å; P757-Y810 WeakPolarHBondContact O-CE1 3.28Å
758	Y	89.4	Confident	68.3	Low	74 Å²	74	87.9 Å²	87.9	29%	0.29	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.5	160	-61.2	-87.7	0	0	0	108.7	A353 L368 A760 V806 K807 K808 Y809 Y810	A353-Y758 WeakPolarHBondContact CB-OH 3.38Å; L368-Y758 HydrophobicContact CD2-CD1 4.39Å; L368-Y758 HydrophobicContact CD2-CE1 3.74Å; Y758-A760 PolarHBondContact O-N 3.39Å; Y758-V806 WeakPolarHBondContact CE2-O 3.4Å; Y758-V806 PolarHBondContact OH-O 3.34Å; Y758-V806 VanDerWaalsContact OH-O 3.08Å; Y758-K807 WeakPolarHBondContact CD2-O 3.49Å; Y758-K807 WeakPolarHBondContact CE2-O 3.48Å; Y758-K808 VanDerWaalsContact CD2-C 3.45Å; Y758-K808 WeakPolarHBondContact CD2-O 3.41Å; Y758-K808 PolarHBondContact N-O 3.11Å; Y758-K808 VanDerWaalsContact N-O 3.16Å; Y758-Y809 WeakPolarHBondContact CE2-O 3.27Å; Y758-Y810 HydrophobicContact CD1-CD1 4.27Å; Y758-Y810 HydrophobicContact CE1-CD1 4.47Å
759	E	79.9	Confident	65.4	Low	183 Å²	183	96.9 Å²	96.9	86%	0.855	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.4	131.4	171.6	-64.6	-176	166.8	0	0	109.3	Q761	E759-Q761 PolarHBondContact O-N 3.28Å
760	A	54.9	Low	62.4	Low	86 Å²	86	106.2 Å²	106.2	71%	0.711	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-65.3	125.4	175.9	0	0	0	0	0	108.7	Y758 E762	Y758-A760 PolarHBondContact O-N 3.39Å; A760-E762 VanDerWaalsContact C-N 3.26Å; A760-E762 PolarHBondContact O-N 3.15Å
761	Q	42.1	Very low	59.4	Low	195 Å²	195	115 Å²	115	91%	0.911	60%	0.597	S	S	*	*			trans	-70.2	85.9	172.2	-73.9	-172.5	-32.9	0	0	109.6	E759 G763	E759-Q761 PolarHBondContact O-N 3.28Å; Q761-G763 VanDerWaalsContact C-N 3.28Å; Q761-G763 PolarHBondContact O-N 2.88Å
762	E	36.1	Very low	56.3	Low	192 Å²	192	118.8 Å²	118.8	90%	0.897	64%	0.636	S	S	*	*			trans	-67.2	85.6	173.1	-71.3	-160.7	148.7	0	0	111	A760	A760-E762 VanDerWaalsContact C-N 3.26Å; A760-E762 PolarHBondContact O-N 3.15Å
763	G	35.4	Very low	53.1	Low	65 Å²	65	125.9 Å²	125.9	67%	0.67	67%	0.669	S	S	*	*	S	Bend	trans	91.9	79.9	154.6	0	0	0	0	0	116.8	Q761	Q761-G763 VanDerWaalsContact C-N 3.28Å; Q761-G763 PolarHBondContact O-N 2.88Å
764	Q	32.8	Very low	50.1	Low	194 Å²	194	132.7 Å²	132.7	91%	0.907	70%	0.7	S	S	*	*			trans	-149.6	67.9	142	-128.5	165.9	76.3	0	0	113.6
765	N	32	Very low	47.6	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	73%	0.726	S	S	*	*			trans	-144.9	111.1	151.7	-99.4	-16.4	0	0	0	108.3
766	K	35.3	Very low	44.5	Very low	212 Å²	212	137.5 Å²	137.5	92%	0.922	75%	0.748	S	S	*	*			trans	-135.5	126.8	168.9	-90.7	-163.9	173.3	-168.6	0	106.8
767	G	29.2	Very low	41.4	Very low	62 Å²	62	144.7 Å²	144.7	64%	0.639	78%	0.782	S	S	*	*			trans	80.3	145.7	-161.1	0	0	0	0	0	110.8
768	E	30.1	Very low	38.4	Very low	195 Å²	195	147 Å²	147	91%	0.911	80%	0.795	S	S	*	*			cis	-116.3	143.5	2.8	-70.5	171.6	140.8	0	0	110.9
769	E	31.9	Very low	35.6	Very low	194 Å²	194	149.3 Å²	149.3	91%	0.907	82%	0.816	S	S	*	*			trans	-90.9	123.4	169.7	-65.6	168.1	143.7	0	0	107.2
770	E	32.7	Very low	33.1	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	81%	0.806	S	S	*	*			trans	-107.8	125.7	159.3	-77.3	-159.4	136.1	0	0	108.8
771	E	29.6	Very low	32	Very low	189 Å²	189	148.3 Å²	148.3	88%	0.883	80%	0.804	S	S	*	*			trans	-73.5	136.3	-174.8	-62.4	177.2	125.2	0	0	111.5
772	G	30.7	Very low	31.4	Very low	79 Å²	79	146.7 Å²	146.7	81%	0.814	80%	0.797	S	S	*	*			trans	-153.1	31.4	-172.6	0	0	0	0	0	115.1
773	Q	28.8	Very low	31.1	Very low	155 Å²	155	145.1 Å²	145.1	72%	0.724	80%	0.795	S	S	*	*			trans	-61.2	152	166.8	-77.7	175	-83	0	0	110.1
774	E	32	Very low	30.8	Very low	149 Å²	149	148 Å²	148	70%	0.696	80%	0.795	S	S	*	*			cis	-169.4	-164.5	11.7	-125.4	179.2	-141.2	0	0	107.9
775	P	40.2	Very low	30.6	Very low	112 Å²	112	147 Å²	147	73%	0.727	79%	0.79	S	S	*	*			cis	-131.4	179.6	-35.1	35.1	-18.9	0	0	0	113.1
776	G	26.8	Very low	30.4	Very low	74 Å²	74	143 Å²	143	76%	0.763	79%	0.787	S	S	*	*			trans	105.2	126.7	151	0	0	0	0	0	116.4
777	E	28.1	Very low	29.9	Very low	197 Å²	197	136.4 Å²	136.4	92%	0.921	78%	0.779	S	S	*	*			cis	-134.7	149.9	-5.6	-69.5	-175.8	125.6	0	0	110.4
778	T	28.1	Very low	29.8	Very low	125 Å²	125	145.6 Å²	145.6	77%	0.767	79%	0.794	S	S	*	*			trans	-95.9	-152.2	176.1	53	0	0	0	0	111
779	V	30.8	Very low	30.2	Very low	122 Å²	122	143.3 Å²	143.3	74%	0.739	79%	0.794	S	S	*	*			trans	103.7	75.6	179.3	-170.4	0	0	0	0	112.9
780	D	28.1	Very low	30	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	79%	0.786	S	S	*	*				89.4	149	72.2	-61.8	-8.6	0	0	0	110.2
781	D	32	Very low	30	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	78%	0.78	S	S	*	*			cis	-155.3	179.1	2.5	-129.6	-26.2	0	0	0	113.2
782	E	29.5	Very low	30.1	Very low	162 Å²	162	128.9 Å²	128.9	76%	0.757	77%	0.77	S	S	*	*			trans	23.3	134.7	148.5	-67.1	178.5	153.1	0	0	119.9
783	D	29.3	Very low	30.3	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	77%	0.769	S	S	*	*				-163	156.7	69.9	-141.8	-17.7	0	0	0	115
784	N	28.2	Very low	30.8	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	77%	0.771	S	S	*	*			trans	-104.1	171.1	173.4	-157.8	19.9	0	0	0	107.6
785	E	30.1	Very low	31.3	Very low	171 Å²	171	132.3 Å²	132.3	80%	0.799	77%	0.773	S	S	*	*			cis	-162.4	166.2	13.9	-168.3	169.7	-107.9	0	0	110.2
786	G	26.3	Very low	31.5	Very low	78 Å²	78	135 Å²	135	80%	0.804	78%	0.775	S	S	*	*			trans	111.2	86.3	145.8	0	0	0	0	0	118
787	G	24.7	Very low	32.8	Very low	73 Å²	73	134.3 Å²	134.3	75%	0.753	75%	0.754	S	S	*	*			trans	-131.7	-3.9	-172.3	0	0	0	0	0	119.6
788	R	28.7	Very low	34.2	Very low	255 Å²	255	131.5 Å²	131.5	96%	0.962	74%	0.74	S	S	*	*			trans	66.7	132.7	-174.4	-59.8	-179	173.3	-179.9	-2.1	116.8
789	V	36.9	Very low	36.1	Very low	148 Å²	148	125.8 Å²	125.8	90%	0.897	71%	0.705	S	S	*	*			trans	-72.5	123.6	173.5	177.2	0	0	0	0	111.1
790	G	28.7	Very low	38.3	Very low	72 Å²	72	128 Å²	128	74%	0.742	71%	0.708	S	S	*	*			trans	-120.1	120.2	153.2	0	0	0	0	0	107.8	D792	G790-D792 PolarHBondContact O-N 3.48Å
791	G	32.1	Very low	41.2	Very low	76 Å²	76	124.5 Å²	124.5	78%	0.784	69%	0.69	S	S	*	*			trans	-85.4	93.3	-170.1	0	0	0	0	0	113.5
792	D	31.8	Very low	44.2	Very low	126 Å²	126	118.6 Å²	118.6	67%	0.674	66%	0.659	S	S	*	*			trans	-142.5	56.6	164.7	-158	-0.8	0	0	0	110.5	G790 R794	G790-D792 PolarHBondContact O-N 3.48Å; D792-R794 PolarHBondContact O-N 3.26Å
793	S	34.4	Very low	47.2	Very low	115 Å²	115	116.3 Å²	116.3	80%	0.804	65%	0.646	S	S	*	*			trans	-73.9	64	-179.4	-60	0	0	0	0	112.4	L795	S793-L795 PolarHBondContact O-N 2.96Å
794	R	40.1	Very low	50.2	Low	202 Å²	202	113.1 Å²	113.1	76%	0.762	63%	0.626	S	S	*	*			trans	-65	100.1	156.5	-65.4	-173.3	-175.1	-153.1	-0.1	107.5	D792 H796	D792-R794 PolarHBondContact O-N 3.26Å; R794-H796 PolarHBondContact O-N 3.38Å; R794-H796 VanDerWaalsContact O-N 3.08Å
795	L	42	Very low	53.3	Low	139 Å²	139	107.1 Å²	107.1	73%	0.728	59%	0.594	S	S	*	*			trans	-53.5	116.4	172.3	-67	168.6	0	0	0	108.2	S793 L797	S793-L795 PolarHBondContact O-N 2.96Å; L795-L797 PolarHBondContact O-N 3.27Å
796	H	45.2	Very low	56.3	Low	167 Å²	167	99.9 Å²	99.9	77%	0.773	56%	0.562	S	S	*	*			trans	-61.5	123.1	177.6	-84.1	-90.9	0	0	0	109.1	R794 Q798	R794-H796 PolarHBondContact O-N 3.38Å; R794-H796 VanDerWaalsContact O-N 3.08Å; H796-Q798 PolarHBondContact O-N 2.88Å
797	L	53.5	Low	59.5	Low	60 Å²	60	104.2 Å²	104.2	31%	0.314	56%	0.558	S	S	.	*			trans	-83.8	11	-161.1	-86	161.5	0	0	0	114.3	L795 F799 Y809 D846	L795-L797 PolarHBondContact O-N 3.27Å; L797-F799 HydrophobicContact CB-CE1 4.23Å; L797-F799 HydrophobicContact CB-CZ 4.22Å; L797-F799 HydrophobicContact CD2-CE1 3.78Å; L797-F799 HydrophobicContact CD2-CZ 4.15Å; L797-F799 WeakPolarHBondContact O-CD1 3.41Å; L797-F799 WeakPolarHBondContact O-CE1 3.33Å; L797-F799 WeakPolarHBondContact O-CG 3.46Å; L797-F799 PolarHBondContact O-N 2.79Å; L797-Y809 HydrophobicContact CD2-CE1 3.89Å; L797-Y809 HydrophobicContact CD2-CE2 3.72Å; L797-Y809 VanDerWaalsContact CD2-OH 3.24Å; L797-Y809 WeakPolarHBondContact CD2-OH 3.37Å; L797-D846 WeakPolarHBondContact CB-OD2 3.38Å
798	Q	57.6	Low	62.7	Low	138 Å²	138	106 Å²	106	65%	0.645	55%	0.545	S	S	*	.			trans	-45.2	103.5	-171	-70.5	-174.6	-25.2	0	0	113.8	H796 D846	H796-Q798 PolarHBondContact O-N 2.88Å; Q798-D846 VanDerWaalsContact CA-OD1 3.31Å; Q798-D846 WeakPolarHBondContact CA-OD1 3.45Å; Q798-D846 PolarHBondContact N-OD1 3.02Å
799	F	67.1	Low	65.8	Low	6 Å²	6	95.3 Å²	95.3	3%	0.026	51%	0.505	C	S	.	.			trans	-138	129.9	167.4	36.8	-121.2	0	0	0	109.2	L755 L797 Q804 A805 Y809 D846 M847	L755-F799 HydrophobicContact CD2-CE1 4.43Å; L755-F799 HydrophobicContact CD2-CZ 3.93Å; L797-F799 HydrophobicContact CB-CE1 4.23Å; L797-F799 HydrophobicContact CB-CZ 4.22Å; L797-F799 HydrophobicContact CD2-CE1 3.78Å; L797-F799 HydrophobicContact CD2-CZ 4.15Å; L797-F799 WeakPolarHBondContact O-CD1 3.41Å; L797-F799 WeakPolarHBondContact O-CE1 3.33Å; L797-F799 WeakPolarHBondContact O-CG 3.46Å; L797-F799 PolarHBondContact O-N 2.79Å; F799-Q804 HydrophobicContact CB-CB 3.95Å; F799-A805 HydrophobicContact CD1-CB 4.23Å; F799-A805 HydrophobicContact CD2-CB 3.99Å; F799-A805 HydrophobicContact CE1-CB 4.39Å; F799-A805 HydrophobicContact CE2-CB 4.17Å; F799-A805 HydrophobicContact CG-CB 4.05Å; F799-A805 HydrophobicContact CZ-CB 4.38Å; F799-Y809 HydrophobicContact CD1-CD2 4.33Å; F799-Y809 HydrophobicContact CD1-CE2 4.08Å; F799-Y809 AromaticContact CE1-CD2 3.66Å; F799-Y809 HydrophobicContact CE1-CD2 3.66Å; F799-Y809 AromaticContact CE1-CE2 3.5Å; F799-Y809 HydrophobicContact CE1-CE2 3.5Å; F799-Y809 VanDerWaalsContact CE1-CE2 3.5Å; F799-D846 HydrophobicContact CE2-CB 4.03Å; F799-M847 HydrophobicContact CD2-CB 3.6Å; F799-M847 HydrophobicContact CE2-CB 3.94Å; F799-M847 WeakPolarHBondContact CE2-O 3.37Å; F799-M847 PolarHBondContact O-N 3.41Å
800	Q	77.3	Confident	68.5	Low	169 Å²	169	90 Å²	90	79%	0.79	47%	0.469	S	S	*	.			trans	-96.9	-7.7	-173.9	-68.6	178.3	-15.1	0	0	112.9
801	T	90.5	Very high	71.8	Confident	46 Å²	46	86.6 Å²	86.6	28%	0.282	43%	0.434	S	S	.	.	S	Bend	trans	-140.9	148.9	-174.8	56.9	0	0	0	0	112.3	D421 K803 Q804 A805	D421-T801 WeakPolarHBondContact OD1-CA 3.18Å; T801-K803 VanDerWaalsContact C-N 3.25Å; T801-K803 PolarHBondContact O-N 3.3Å; T801-Q804 WeakPolarHBondContact O-CB 3.37Å; T801-Q804 PolarHBondContact O-N 3.02Å; T801-Q804 VanDerWaalsContact OG1-CG 3.24Å; T801-Q804 WeakPolarHBondContact OG1-CG 3.15Å; T801-Q804 PolarHBondContact OG1-OE1 2.8Å; T801-A805 PolarHBondContact O-N 3.37Å
802	Y	94.1	Very high	74.8	Confident	3 Å²	3	83.8 Å²	83.8	1%	0.012	40%	0.401	C	S	.	.	H	α-helix	trans	-50.4	-45.7	174.6	-179.4	-96.4	0	0	0	112.1	E348 A352 M420 D421 Q804 A805 V806 L849 T873	E348-Y802 HydrophobicContact CG-CE1 4.08Å; A352-Y802 PolarHBondContact N-OH 2.75Å; M420-Y802 HydrophobicContact CB-CD1 3.81Å; M420-Y802 HydrophobicContact CB-CD2 3.8Å; M420-Y802 HydrophobicContact CB-CE1 4.41Å; M420-Y802 HydrophobicContact CB-CE2 4.38Å; M420-Y802 HydrophobicContact CB-CG 3.46Å; M420-Y802 VanDerWaalsContact CB-CG 3.46Å; M420-Y802 HydrophobicContact CE-CE1 4.25Å; M420-Y802 HydrophobicContact CE-CE2 4.18Å; M420-Y802 HydrophobicContact CG-CD1 3.66Å; M420-Y802 HydrophobicContact CG-CD2 3.92Å; M420-Y802 HydrophobicContact CG-CE1 3.76Å; M420-Y802 HydrophobicContact CG-CE2 4Å; M420-Y802 HydrophobicContact CG-CG 3.74Å; M420-Y802 HydrophobicContact SD-CD2 4.03Å; M420-Y802 HydrophobicContact SD-CE1 4.3Å; M420-Y802 HydrophobicContact SD-CE2 3.68Å; M420-Y802 HydrophobicContact SD-CG 4.46Å; D421-Y802 WeakPolarHBondContact OD1-CB 3.45Å; D421-Y802 PolarHBondContact OD1-N 2.76Å; Y802-Q804 PolarHBondContact O-N 2.84Å; Y802-A805 PolarHBondContact O-N 3.05Å; Y802-A805 VanDerWaalsContact O-N 3.08Å; Y802-V806 HydrophobicContact CD1-CG1 4.14Å; Y802-V806 HydrophobicContact CD1-CG2 4.37Å; Y802-V806 HydrophobicContact CD2-CG1 4.24Å; Y802-V806 HydrophobicContact CE1-CG1 3.76Å; Y802-V806 HydrophobicContact CE1-CG2 4.24Å; Y802-V806 HydrophobicContact CE2-CG1 3.89Å; Y802-V806 HydrophobicContact CG-CG1 4.37Å; Y802-V806 WeakPolarHBondContact O-CG2 3.35Å; Y802-V806 PolarHBondContact O-N 3.34Å; Y802-L849 HydrophobicContact CD2-CD1 3.48Å; Y802-L849 VanDerWaalsContact CD2-CD1 3.48Å; Y802-L849 HydrophobicContact CE2-CD1 3.5Å; Y802-L849 VanDerWaalsContact CE2-CD1 3.5Å; Y802-T873 HydrophobicContact CE2-CG2 4.01Å
803	K	93	Very high	77.8	Confident	114 Å²	114	78.2 Å²	78.2	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-68.7	-17	-177.8	-66.7	-177.4	178.9	176.1	0	114.2	E348 T801 K807	E348-K803 WeakPolarHBondContact OE2-CE 3.4Å; T801-K803 VanDerWaalsContact C-N 3.25Å; T801-K803 PolarHBondContact O-N 3.3Å; K803-K807 WeakPolarHBondContact O-CD 3.47Å; K803-K807 VanDerWaalsContact O-CG 3.32Å; K803-K807 WeakPolarHBondContact O-CG 3.27Å
804	Q	92.4	Very high	80.7	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-83.4	-42.6	167.8	-71.9	165.8	-13.2	0	0	111.2	F799 T801 Y802 K808	F799-Q804 HydrophobicContact CB-CB 3.95Å; T801-Q804 WeakPolarHBondContact O-CB 3.37Å; T801-Q804 PolarHBondContact O-N 3.02Å; T801-Q804 VanDerWaalsContact OG1-CG 3.24Å; T801-Q804 WeakPolarHBondContact OG1-CG 3.15Å; T801-Q804 PolarHBondContact OG1-OE1 2.8Å; Y802-Q804 PolarHBondContact O-N 2.84Å; Q804-K808 PolarHBondContact O-N 3.46Å
805	A	92.4	Very high	83.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-52.5	-179.4	0	0	0	0	0	112.3	F799 T801 Y802 K807 K808 Y809 M847 L849	F799-A805 HydrophobicContact CD1-CB 4.23Å; F799-A805 HydrophobicContact CD2-CB 3.99Å; F799-A805 HydrophobicContact CE1-CB 4.39Å; F799-A805 HydrophobicContact CE2-CB 4.17Å; F799-A805 HydrophobicContact CG-CB 4.05Å; F799-A805 HydrophobicContact CZ-CB 4.38Å; T801-A805 PolarHBondContact O-N 3.37Å; Y802-A805 PolarHBondContact O-N 3.05Å; Y802-A805 VanDerWaalsContact O-N 3.08Å; A805-K807 PolarHBondContact O-N 2.99Å; A805-K807 VanDerWaalsContact O-N 3.13Å; A805-K808 PolarHBondContact O-N 3.28Å; A805-Y809 PolarHBondContact O-N 2.93Å; A805-M847 HydrophobicContact CB-CG 4.39Å; A805-L849 HydrophobicContact CB-CD1 4.28Å; A805-L849 HydrophobicContact CB-CD2 4.23Å
806	V	94.6	Very high	85.5	Confident	20 Å²	20	59.4 Å²	59.4	12%	0.121	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-11.9	-176.9	-56.6	0	0	0	0	114.9	A352 Y758 Y802 L849	A352-V806 HydrophobicContact CB-CB 4.49Å; A352-V806 HydrophobicContact CB-CG1 3.66Å; Y758-V806 WeakPolarHBondContact CE2-O 3.4Å; Y758-V806 PolarHBondContact OH-O 3.34Å; Y758-V806 VanDerWaalsContact OH-O 3.08Å; Y802-V806 HydrophobicContact CD1-CG1 4.14Å; Y802-V806 HydrophobicContact CD1-CG2 4.37Å; Y802-V806 HydrophobicContact CD2-CG1 4.24Å; Y802-V806 HydrophobicContact CE1-CG1 3.76Å; Y802-V806 HydrophobicContact CE1-CG2 4.24Å; Y802-V806 HydrophobicContact CE2-CG1 3.89Å; Y802-V806 HydrophobicContact CG-CG1 4.37Å; Y802-V806 WeakPolarHBondContact O-CG2 3.35Å; Y802-V806 PolarHBondContact O-N 3.34Å; V806-L849 HydrophobicContact CG1-CD1 3.79Å; V806-L849 HydrophobicContact CG1-CD2 4.13Å
807	K	92.8	Very high	87.6	Confident	169 Å²	169	52 Å²	52	74%	0.735	24%	0.24	S	C	*	.	H	α-helix	trans	-84.1	-29.7	171.6	-78.4	-176	178.7	-172.7	0	113.1	Y758 K803 A805	Y758-K807 WeakPolarHBondContact CD2-O 3.49Å; Y758-K807 WeakPolarHBondContact CE2-O 3.48Å; K803-K807 WeakPolarHBondContact O-CD 3.47Å; K803-K807 VanDerWaalsContact O-CG 3.32Å; K803-K807 WeakPolarHBondContact O-CG 3.27Å; A805-K807 PolarHBondContact O-N 2.99Å; A805-K807 VanDerWaalsContact O-N 3.13Å
808	K	91.5	Very high	89.2	Confident	109 Å²	109	49.7 Å²	49.7	47%	0.474	23%	0.228	S	C	.	.	H	α-helix	trans	-95.6	-27.3	180	-68.5	-179.6	178	-179.5	0	112.7	P757 Y758 Q804 A805	P757-K808 WeakPolarHBondContact CA-O 3.44Å; Y758-K808 VanDerWaalsContact CD2-C 3.45Å; Y758-K808 WeakPolarHBondContact CD2-O 3.41Å; Y758-K808 PolarHBondContact N-O 3.11Å; Y758-K808 VanDerWaalsContact N-O 3.16Å; Q804-K808 PolarHBondContact O-N 3.46Å; A805-K808 PolarHBondContact O-N 3.28Å
809	Y	93.1	Very high	90.6	Very high	31 Å²	31	46.9 Å²	46.9	12%	0.122	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.7	-171.4	-58.9	-85.8	0	0	0	113.3	L755 E756 P757 Y758 L797 F799 A805	L755-Y809 VanDerWaalsContact CD1-CB 3.46Å; L755-Y809 HydrophobicContact CD1-CG 4.07Å; L755-Y809 HydrophobicContact CD2-CD1 4.04Å; L755-Y809 HydrophobicContact CD2-CD2 4.19Å; L755-Y809 HydrophobicContact CD2-CG 3.85Å; L755-Y809 HydrophobicContact CG-CD1 3.8Å; L755-Y809 HydrophobicContact CG-CG 3.72Å; E756-Y809 CarbonylContact O-C 3.49Å; E756-Y809 VanDerWaalsContact O-CA 3.3Å; E756-Y809 WeakPolarHBondContact O-CA 3.38Å; P757-Y809 HydrophobicContact CB-CD1 3.96Å; P757-Y809 HydrophobicContact CB-CE1 3.73Å; P757-Y809 HydrophobicContact CG-CE1 4.47Å; Y758-Y809 WeakPolarHBondContact CE2-O 3.27Å; L797-Y809 HydrophobicContact CD2-CE1 3.89Å; L797-Y809 HydrophobicContact CD2-CE2 3.72Å; L797-Y809 VanDerWaalsContact CD2-OH 3.24Å; L797-Y809 WeakPolarHBondContact CD2-OH 3.37Å; F799-Y809 HydrophobicContact CD1-CD2 4.33Å; F799-Y809 HydrophobicContact CD1-CE2 4.08Å; F799-Y809 AromaticContact CE1-CD2 3.66Å; F799-Y809 HydrophobicContact CE1-CD2 3.66Å; F799-Y809 AromaticContact CE1-CE2 3.5Å; F799-Y809 HydrophobicContact CE1-CE2 3.5Å; F799-Y809 VanDerWaalsContact CE1-CE2 3.5Å; A805-Y809 PolarHBondContact O-N 2.93Å
810	Y	95.4	Very high	91.4	Very high	37 Å²	37	49 Å²	49	15%	0.145	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	166	165.7	68	-91.9	0	0	0	110.8	A353 K355 L368 E756 P757 Y758 H812	A353-Y810 WeakPolarHBondContact O-CA 3.37Å; A353-Y810 WeakPolarHBondContact O-CB 3.44Å; K355-Y810 HydrophobicContact CB-CD2 4.29Å; K355-Y810 HydrophobicContact CB-CE2 3.99Å; L368-Y810 HydrophobicContact CD1-CD1 4.39Å; L368-Y810 HydrophobicContact CD1-CD2 3.74Å; L368-Y810 HydrophobicContact CD1-CE2 4.36Å; L368-Y810 HydrophobicContact CD1-CG 3.75Å; E756-Y810 HydrophobicContact CB-CD2 4.48Å; E756-Y810 HydrophobicContact CB-CE1 4.05Å; E756-Y810 HydrophobicContact CB-CE2 3.94Å; E756-Y810 PolarHBondContact N-O 3.43Å; E756-Y810 WeakPolarHBondContact O-CD1 3.33Å; E756-Y810 PolarHBondContact O-N 2.99Å; E756-Y810 PolarHBondContact OE2-OH 3.36Å; P757-Y810 VanDerWaalsContact O-CE1 3.26Å; P757-Y810 WeakPolarHBondContact O-CE1 3.28Å; Y758-Y810 HydrophobicContact CD1-CD1 4.27Å; Y758-Y810 HydrophobicContact CE1-CD1 4.47Å; Y810-H812 HydrophobicContact CE2-CB 4.25Å
811	L	96.4	Very high	91.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.9	178.7	-57.5	167.3	0	0	0	110.2	A352 A353 F354 K355 T753 L755 F813 L849 T873 L875	A352-L811 HydrophobicContact CB-CD1 4.11Å; A353-L811 PolarHBondContact O-N 3.32Å; F354-L811 CarbonylContact C-O 3.34Å; F354-L811 WeakPolarHBondContact CA-O 3.35Å; F354-L811 HydrophobicContact CB-CB 3.99Å; F354-L811 WeakPolarHBondContact CB-O 3.25Å; K355-L811 PolarHBondContact N-O 3.38Å; T753-L811 HydrophobicContact CG2-CB 4.21Å; T753-L811 HydrophobicContact CG2-CD2 4.09Å; L755-L811 HydrophobicContact CD1-CD2 4.36Å; L811-F813 HydrophobicContact CB-CD2 4.46Å; L811-F813 HydrophobicContact CB-CE2 3.94Å; L811-F813 HydrophobicContact CB-CZ 4.41Å; L811-F813 HydrophobicContact CD1-CE2 4.23Å; L811-F813 HydrophobicContact CD1-CZ 4.16Å; L811-L849 HydrophobicContact CD2-CD2 4.08Å; L811-L849 HydrophobicContact CD2-CG 4.17Å; L811-T873 HydrophobicContact CD1-CG2 3.77Å; L811-T873 HydrophobicContact CD2-CG2 4.49Å; L811-L875 HydrophobicContact CD1-CD1 3.79Å
812	H	95.7	Very high	91.6	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.6	170.1	-168	167.9	0	0	0	109.6	K355 S357 S754 E756 Y810 K814	K355-H812 WeakPolarHBondContact O-CA 3.2Å; S357-H812 VanDerWaalsContact CB-NE2 3.32Å; S357-H812 WeakPolarHBondContact CB-NE2 3.42Å; S357-H812 PolarHBondContact OG-NE2 3.01Å; S754-H812 PolarHBondContact N-O 3.29Å; S754-H812 PolarHBondContact O-N 2.81Å; S754-H812 PolarHBondContact OG-O 2.84Å; E756-H812 HydrophobicContact CG-CB 4.14Å; E756-H812 IonicContact OE1-CG 2.65Å; E756-H812 IonicContact OE1-ND1 3.82Å; E756-H812 PolarHBondContact OE1-ND1 3.46Å; E756-H812 VanDerWaalsContact OE1-ND1 3.1Å; E756-H812 WeakPolarHBondContact OE2-CB 3.2Å; E756-H812 IonicContact OE2-CE1 3.72Å; E756-H812 IonicContact OE2-CG 2.78Å; E756-H812 IonicContact OE2-ND1 3.77Å; E756-H812 PolarHBondContact OE2-ND1 3.35Å; Y810-H812 HydrophobicContact CE2-CB 4.25Å; H812-K814 VanDerWaalsContact CG-CE 3.47Å; H812-K814 VanDerWaalsContact ND1-CE 3.32Å; H812-K814 WeakPolarHBondContact ND1-CE 3.27Å
813	F	95.1	Very high	91	Very high	8 Å²	8	45 Å²	45	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131	171.4	-61.4	-88.4	0	0	0	110.5	F354 K355 V356 S357 F387 Y751 T753 L811 L875 R877	F354-F813 HydrophobicContact CB-CD2 4.11Å; F354-F813 HydrophobicContact CB-CE2 3.77Å; F354-F813 HydrophobicContact CD2-CD2 4.09Å; F354-F813 HydrophobicContact CD2-CE2 4.03Å; F354-F813 HydrophobicContact CG-CD2 4.48Å; F354-F813 HydrophobicContact CG-CE2 4.11Å; K355-F813 PolarHBondContact O-N 3.4Å; V356-F813 WeakPolarHBondContact CA-O 3.44Å; V356-F813 HydrophobicContact CG2-CB 4.48Å; S357-F813 PolarHBondContact N-O 3.28Å; F387-F813 AromaticContact CE1-CD2 3.87Å; F387-F813 HydrophobicContact CE1-CD2 3.87Å; F387-F813 HydrophobicContact CE1-CE1 4.38Å; F387-F813 AromaticContact CE1-CE2 3.62Å; F387-F813 HydrophobicContact CE1-CE2 3.62Å; F387-F813 HydrophobicContact CE1-CG 4.37Å; F387-F813 AromaticContact CE1-CZ 3.9Å; F387-F813 HydrophobicContact CE1-CZ 3.9Å; F387-F813 AromaticContact CZ-CD2 3.78Å; F387-F813 HydrophobicContact CZ-CD2 3.78Å; F387-F813 HydrophobicContact CZ-CE2 4.04Å; F387-F813 HydrophobicContact CZ-CG 4.09Å; Y751-F813 AromaticContact CD2-CD1 3.83Å; Y751-F813 HydrophobicContact CD2-CD1 3.83Å; Y751-F813 AromaticContact CE2-CD1 3.75Å; Y751-F813 HydrophobicContact CE2-CD1 3.75Å; Y751-F813 AromaticContact CE2-CE1 3.97Å; Y751-F813 HydrophobicContact CE2-CE1 3.97Å; T753-F813 HydrophobicContact CG2-CD1 3.87Å; T753-F813 HydrophobicContact CG2-CE1 3.68Å; T753-F813 HydrophobicContact CG2-CG 4.42Å; T753-F813 HydrophobicContact CG2-CZ 4.09Å; T753-F813 WeakPolarHBondContact OG1-CD1 3.49Å; T753-F813 WeakPolarHBondContact OG1-CE1 3.39Å; L811-F813 HydrophobicContact CB-CD2 4.46Å; L811-F813 HydrophobicContact CB-CE2 3.94Å; L811-F813 HydrophobicContact CB-CZ 4.41Å; L811-F813 HydrophobicContact CD1-CE2 4.23Å; L811-F813 HydrophobicContact CD1-CZ 4.16Å; F813-L875 HydrophobicContact CE2-CD1 4.18Å; F813-L875 HydrophobicContact CZ-CD1 4.22Å; F813-R877 VanDerWaalsContact CB-NH1 3.25Å
814	K	94.3	Very high	90.6	Very high	51 Å²	51	40.5 Å²	40.5	22%	0.222	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.6	-175	-57	-179.5	170.3	154.4	0	108.9	Y751 I752 S754 E756 H812 L829	Y751-K814 VanDerWaalsContact CA-O 3.25Å; Y751-K814 WeakPolarHBondContact CA-O 3.17Å; Y751-K814 WeakPolarHBondContact CB-O 3.3Å; I752-K814 PolarHBondContact N-O 2.82Å; I752-K814 PolarHBondContact O-N 3.21Å; S754-K814 WeakPolarHBondContact OG-CE 3.23Å; S754-K814 PolarHBondContact OG-NZ 3.49Å; E756-K814 WeakPolarHBondContact OE1-CE 3.39Å; E756-K814 IonicContact OE1-NZ 2.72Å; E756-K814 PolarHBondContact OE1-NZ 3.07Å; H812-K814 VanDerWaalsContact CG-CE 3.47Å; H812-K814 VanDerWaalsContact ND1-CE 3.32Å; H812-K814 WeakPolarHBondContact ND1-CE 3.27Å; K814-L829 HydrophobicContact CB-CD2 3.65Å; K814-L829 WeakPolarHBondContact O-CD1 3.25Å
815	D	92.6	Very high	90.1	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.1	-168.4	-59.6	-23.2	0	0	0	113.2	V356 S357 R358 D359 Y751 L829 R877 H879	V356-D815 WeakPolarHBondContact CG1-OD2 3.46Å; S357-D815 PolarHBondContact O-N 2.91Å; R358-D815 HydrophobicContact CB-CB 4.39Å; R358-D815 HydrophobicContact CG-CB 4.11Å; R358-D815 WeakPolarHBondContact CG-OD2 3.45Å; R358-D815 IonicContact NE-OD2 3.64Å; D359-D815 WeakPolarHBondContact CB-O 3.34Å; D359-D815 PolarHBondContact N-O 3.21Å; Y751-D815 WeakPolarHBondContact CB-OD1 3.41Å; D815-L829 WeakPolarHBondContact O-CD1 3.42Å; D815-R877 VanDerWaalsContact CG-NH2 3.29Å; D815-R877 IonicContact OD1-CZ 3.65Å; D815-R877 VanDerWaalsContact OD1-CZ 3.22Å; D815-R877 IonicContact OD1-NH1 2.78Å; D815-R877 PolarHBondContact OD1-NH1 3.45Å; D815-R877 IonicContact OD1-NH2 3.31Å; D815-R877 PolarHBondContact OD1-NH2 2.89Å; D815-R877 IonicContact OD2-CZ 3.67Å; D815-R877 IonicContact OD2-NH1 2.64Å; D815-R877 IonicContact OD2-NH2 3.1Å; D815-R877 PolarHBondContact OD2-NH2 3.01Å; D815-H879 IonicContact OD1-CE1 3.25Å
816	L	91.5	Very high	89.8	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	23%	0.234	C	C	.	.			trans	-75.6	146.5	165.4	-176	63.6	0	0	0	110.2	D359 F748 P749 A750 M818 L821 L824 H827 L829	D359-L816 WeakPolarHBondContact OD2-CD1 3.15Å; F748-L816 HydrophobicContact CB-CD2 3.81Å; F748-L816 HydrophobicContact CD2-CD2 4.15Å; F748-L816 HydrophobicContact CG-CD2 4.29Å; P749-L816 WeakPolarHBondContact O-CB 3.38Å; P749-L816 WeakPolarHBondContact O-CD2 3.46Å; A750-L816 PolarHBondContact O-N 3.38Å; L816-M818 VanDerWaalsContact C-N 3.26Å; L816-M818 HydrophobicContact CD2-SD 4.33Å; L816-M818 PolarHBondContact O-N 3.01Å; L816-L821 HydrophobicContact CD2-CD2 3.83Å; L816-L824 HydrophobicContact CD1-CD1 4.38Å; L816-L824 HydrophobicContact CD2-CD1 3.84Å; L816-H827 HydrophobicContact CD1-CB 4.39Å; L816-L829 HydrophobicContact CB-CD1 4.24Å
817	D	87.9	Confident	89.4	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.059	24%	0.235	C	C	.	.			trans	-72	80.7	172.8	-169.1	-8.2	0	0	0	112	D359 N360 R819 C820	D359-D817 HydrophobicContact CB-CB 4.4Å; N360-D817 PolarHBondContact ND2-OD2 3.03Å; D817-R819 VanDerWaalsContact CG-NH2 3.32Å; D817-R819 PolarHBondContact O-N 3.28Å; D817-R819 VanDerWaalsContact OD1-CB 3.23Å; D817-R819 WeakPolarHBondContact OD1-CB 3.35Å; D817-R819 WeakPolarHBondContact OD1-CG 3.39Å; D817-R819 IonicContact OD1-CZ 3.81Å; D817-R819 PolarHBondContact OD1-N 2.77Å; D817-R819 VanDerWaalsContact OD1-N 3.14Å; D817-R819 IonicContact OD1-NE 3.64Å; D817-R819 PolarHBondContact OD1-NE 3.44Å; D817-R819 IonicContact OD1-NH2 3.55Å; D817-R819 PolarHBondContact OD1-NH2 3.12Å; D817-R819 IonicContact OD2-CZ 2.89Å; D817-R819 IonicContact OD2-NE 2.7Å; D817-R819 PolarHBondContact OD2-NE 3.41Å; D817-R819 IonicContact OD2-NH2 3.22Å; D817-R819 PolarHBondContact OD2-NH2 3.08Å; D817-C820 PolarHBondContact O-N 2.78Å
818	M	87.4	Confident	89.3	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.059	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	8	178.2	-74.5	-57.2	-55.7	0	0	115.1	F748 L816 L821 A881 R882 S883 F884	F748-M818 HydrophobicContact CD2-CE 4.4Å; F748-M818 HydrophobicContact CD2-SD 3.87Å; F748-M818 HydrophobicContact CE2-CE 3.62Å; F748-M818 HydrophobicContact CE2-SD 3.69Å; F748-M818 HydrophobicContact CZ-CE 4.35Å; L816-M818 VanDerWaalsContact C-N 3.26Å; L816-M818 HydrophobicContact CD2-SD 4.33Å; L816-M818 PolarHBondContact O-N 3.01Å; M818-L821 HydrophobicContact SD-CD2 4.17Å; M818-A881 HydrophobicContact CE-CB 3.66Å; M818-R882 PolarHBondContact O-N 2.68Å; M818-S883 WeakPolarHBondContact O-CB 3.37Å; M818-S883 PolarHBondContact O-N 2.82Å; M818-S883 PolarHBondContact O-OG 2.82Å; M818-F884 HydrophobicContact CE-CE2 4.33Å
819	R	87.6	Confident	89.3	Confident	80 Å²	80	37.9 Å²	37.9	30%	0.302	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-31.5	167.4	-55.4	171.4	-65.1	-153.5	2.6	111.9	G382 H383 D817	G382-R819 PolarHBondContact O-NH1 3Å; H383-R819 PolarHBondContact CD2-NH1 3.14Å; H383-R819 VanDerWaalsContact CD2-NH1 3.29Å; H383-R819 PolarHBondContact CE1-NH2 3.25Å; H383-R819 VanDerWaalsContact CE1-NH2 3.32Å; H383-R819 VanDerWaalsContact NE2-CZ 3.35Å; H383-R819 PolarHBondContact NE2-NH1 3.08Å; H383-R819 VanDerWaalsContact NE2-NH1 3.16Å; H383-R819 PolarHBondContact NE2-NH2 2.73Å; H383-R819 VanDerWaalsContact NE2-NH2 3.16Å; D817-R819 VanDerWaalsContact CG-NH2 3.32Å; D817-R819 PolarHBondContact O-N 3.28Å; D817-R819 VanDerWaalsContact OD1-CB 3.23Å; D817-R819 WeakPolarHBondContact OD1-CB 3.35Å; D817-R819 WeakPolarHBondContact OD1-CG 3.39Å; D817-R819 IonicContact OD1-CZ 3.81Å; D817-R819 PolarHBondContact OD1-N 2.77Å; D817-R819 VanDerWaalsContact OD1-N 3.14Å; D817-R819 IonicContact OD1-NE 3.64Å; D817-R819 PolarHBondContact OD1-NE 3.44Å; D817-R819 IonicContact OD1-NH2 3.55Å; D817-R819 PolarHBondContact OD1-NH2 3.12Å; D817-R819 IonicContact OD2-CZ 2.89Å; D817-R819 IonicContact OD2-NE 2.7Å; D817-R819 PolarHBondContact OD2-NE 3.41Å; D817-R819 IonicContact OD2-NH2 3.22Å; D817-R819 PolarHBondContact OD2-NH2 3.08Å
820	C	83.8	Confident	89.2	Confident	49 Å²	49	37.3 Å²	37.3	33%	0.331	21%	0.206	S	C	.	.			trans	-153.8	119	-174.9	-169.7	0	0	0	0	112.2	D817 T822	D817-C820 PolarHBondContact O-N 2.78Å; C820-T822 VanDerWaalsContact C-N 3.31Å; C820-T822 PolarHBondContact O-N 2.66Å; C820-T822 PolarHBondContact SG-OG1 2.63Å
821	L	86	Confident	89	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.063	22%	0.222	C	C	.	.			trans	-93.7	21.1	-179.5	-55.5	175.6	0	0	0	112.4	N293 I295 F748 L816 M818 G823 L824	N293-L821 PolarHBondContact O-N 3.13Å; I295-L821 HydrophobicContact CD1-CD1 4.23Å; I295-L821 HydrophobicContact CG1-CD1 4.1Å; F748-L821 HydrophobicContact CD1-CD1 3.94Å; F748-L821 HydrophobicContact CD2-CD2 4.3Å; F748-L821 HydrophobicContact CE1-CD1 3.54Å; F748-L821 HydrophobicContact CE2-CD1 4.24Å; F748-L821 HydrophobicContact CG-CD1 4.46Å; F748-L821 HydrophobicContact CG-CD2 4.34Å; F748-L821 HydrophobicContact CZ-CD1 3.7Å; L816-L821 HydrophobicContact CD2-CD2 3.83Å; M818-L821 HydrophobicContact SD-CD2 4.17Å; L821-G823 PolarHBondContact O-N 2.85Å; L821-L824 WeakPolarHBondContact O-CB 3.29Å; L821-L824 PolarHBondContact O-N 3.29Å
822	T	85.3	Confident	88.8	Confident	88 Å²	88	44.9 Å²	44.9	54%	0.54	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	120.9	-175.6	-62	0	0	0	0	111	G294 C820 L824	G294-T822 WeakPolarHBondContact CA-OG1 3.23Å; G294-T822 PolarHBondContact N-OG1 3.04Å; C820-T822 VanDerWaalsContact C-N 3.31Å; C820-T822 PolarHBondContact O-N 2.66Å; C820-T822 PolarHBondContact SG-OG1 2.63Å; T822-L824 VanDerWaalsContact C-N 3.32Å
823	G	82.5	Confident	88.6	Confident	35 Å²	35	44 Å²	44	36%	0.361	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	18.9	-179.6	0	0	0	0	0	114	L821 S825 K826	L821-G823 PolarHBondContact O-N 2.85Å; G823-S825 PolarHBondContact O-N 3.27Å; G823-K826 WeakPolarHBondContact O-CB 3.44Å; G823-K826 PolarHBondContact O-N 3.38Å
824	L	83.6	Confident	88.4	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-34.4	-44.9	179.9	178.6	65.2	0	0	0	115.2	F748 L816 L821 T822 K826 H827 W830	F748-L824 HydrophobicContact CB-CD1 3.79Å; F748-L824 HydrophobicContact CB-CD2 3.93Å; F748-L824 HydrophobicContact CB-CG 4.47Å; F748-L824 HydrophobicContact CD1-CD2 4.23Å; L816-L824 HydrophobicContact CD1-CD1 4.38Å; L816-L824 HydrophobicContact CD2-CD1 3.84Å; L821-L824 WeakPolarHBondContact O-CB 3.29Å; L821-L824 PolarHBondContact O-N 3.29Å; T822-L824 VanDerWaalsContact C-N 3.32Å; L824-K826 PolarHBondContact O-N 3.04Å; L824-H827 WeakPolarHBondContact O-CB 3.01Å; L824-H827 PolarHBondContact O-N 3.13Å; L824-W830 HydrophobicContact CD1-CB 4.09Å; L824-W830 HydrophobicContact CD1-CG 4.13Å; L824-W830 HydrophobicContact CG-CB 4.32Å; L824-W830 VanDerWaalsContact CG-CD1 3.49Å; L824-W830 HydrophobicContact CG-CG 3.89Å; L824-W830 WeakPolarHBondContact O-CB 3.37Å
825	S	82.7	Confident	88.2	Confident	57 Å²	57	47.4 Å²	47.4	40%	0.399	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-63.6	-11.4	-179.1	57	0	0	0	0	115.5	G823 W830 K831	G823-S825 PolarHBondContact O-N 3.27Å; S825-W830 VanDerWaalsContact CA-CE3 3.44Å; S825-K831 WeakPolarHBondContact O-CE 3.36Å
826	K	85.6	Confident	87.9	Confident	164 Å²	164	47.8 Å²	47.8	71%	0.713	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-85.3	-26.8	174.5	-60.3	-176.5	178.7	-175.5	0	112.7	G823 L824 K831	G823-K826 WeakPolarHBondContact O-CB 3.44Å; G823-K826 PolarHBondContact O-N 3.38Å; L824-K826 PolarHBondContact O-N 3.04Å; K826-K831 WeakPolarHBondContact O-CE 3.27Å; K826-K831 PolarHBondContact O-NZ 3.14Å
827	H	87.5	Confident	87.8	Confident	29 Å²	29	48 Å²	48	13%	0.134	26%	0.263	C	S	.	.	S	Bend	trans	-64	144	-173.9	-73.5	-111.4	0	0	0	112.4	D359 L816 L824 W830 K831	D359-H827 IonicContact OD2-CE1 3.62Å; D359-H827 IonicContact OD2-CG 2.63Å; D359-H827 IonicContact OD2-ND1 2.75Å; D359-H827 PolarHBondContact OD2-ND1 3.22Å; L816-H827 HydrophobicContact CD1-CB 4.39Å; L824-H827 WeakPolarHBondContact O-CB 3.01Å; L824-H827 PolarHBondContact O-N 3.13Å; H827-W830 HydrophobicContact CB-CB 4.37Å; H827-W830 PolarHBondContact O-N 2.85Å; H827-K831 WeakPolarHBondContact O-CG 3.34Å; H827-K831 PolarHBondContact O-N 2.94Å
828	A	89.8	Confident	87.4	Confident	72 Å²	72	52.4 Å²	52.4	60%	0.595	29%	0.286	S	S	*	.	H	α-helix	trans	-63.8	-42	178.9	0	0	0	0	0	111.7	W830 K831 H832	A828-W830 PolarHBondContact O-N 3.47Å; A828-K831 PolarHBondContact O-N 3.15Å; A828-H832 PolarHBondContact O-N 3.03Å
829	L	91.1	Very high	87.3	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-38.4	-179.4	-57.2	179.6	0	0	0	112.7	P749 I752 K814 D815 L816 H832 M833	P749-L829 HydrophobicContact CG-CB 3.94Å; I752-L829 HydrophobicContact CD1-CB 4.02Å; I752-L829 HydrophobicContact CD1-CD2 4.07Å; I752-L829 WeakPolarHBondContact CD1-O 3.22Å; K814-L829 HydrophobicContact CB-CD2 3.65Å; K814-L829 WeakPolarHBondContact O-CD1 3.25Å; D815-L829 WeakPolarHBondContact O-CD1 3.42Å; L816-L829 HydrophobicContact CB-CD1 4.24Å; L829-H832 PolarHBondContact O-N 2.88Å; L829-M833 PolarHBondContact O-N 3.46Å
830	W	91.8	Very high	87	Confident	18 Å²	18	53.8 Å²	53.8	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-39.4	175.7	-175.3	87.1	0	0	0	112.1	L745 R747 L824 S825 H827 A828 H832 M833 Q834	L745-W830 HydrophobicContact CD2-CZ2 4.25Å; R747-W830 VanDerWaalsContact O-CD1 3.27Å; R747-W830 PolarHBondContact O-NE1 3.18Å; L824-W830 HydrophobicContact CD1-CB 4.09Å; L824-W830 HydrophobicContact CD1-CG 4.13Å; L824-W830 HydrophobicContact CG-CB 4.32Å; L824-W830 VanDerWaalsContact CG-CD1 3.49Å; L824-W830 HydrophobicContact CG-CG 3.89Å; L824-W830 WeakPolarHBondContact O-CB 3.37Å; S825-W830 VanDerWaalsContact CA-CE3 3.44Å; H827-W830 HydrophobicContact CB-CB 4.37Å; H827-W830 PolarHBondContact O-N 2.85Å; A828-W830 PolarHBondContact O-N 3.47Å; W830-H832 VanDerWaalsContact C-N 3.34Å; W830-M833 HydrophobicContact CG-CE 4.35Å; W830-M833 PolarHBondContact O-N 3.12Å; W830-Q834 HydrophobicContact CD2-CG 4.19Å; W830-Q834 HydrophobicContact CE3-CG 4.06Å; W830-Q834 HydrophobicContact CH2-CG 4.16Å; W830-Q834 HydrophobicContact CZ2-CG 4.22Å; W830-Q834 VanDerWaalsContact CZ3-CD 3.43Å; W830-Q834 HydrophobicContact CZ3-CG 4.07Å; W830-Q834 WeakPolarHBondContact O-CG 3.48Å; W830-Q834 PolarHBondContact O-N 2.86Å
831	K	91.6	Very high	86.8	Confident	112 Å²	112	55.9 Å²	55.9	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-37	173.5	-70	167	177.5	162.5	0	112.2	S825 K826 H827 A828 Q834 S835	S825-K831 WeakPolarHBondContact O-CE 3.36Å; K826-K831 WeakPolarHBondContact O-CE 3.27Å; K826-K831 PolarHBondContact O-NZ 3.14Å; H827-K831 WeakPolarHBondContact O-CG 3.34Å; H827-K831 PolarHBondContact O-N 2.94Å; A828-K831 PolarHBondContact O-N 3.15Å; K831-Q834 PolarHBondContact O-N 2.77Å; K831-S835 PolarHBondContact O-N 3.24Å; K831-S835 VanDerWaalsContact O-N 3.12Å
832	H	91.4	Very high	86.5	Confident	85 Å²	85	57.3 Å²	57.3	39%	0.394	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-50.2	173.5	-171.2	92.5	0	0	0	111.2	E727 I752 A828 L829 W830 Q834 S835 T836	E727-H832 IonicContact OE1-CD2 3.62Å; E727-H832 PolarHBondContact OE1-CD2 3.41Å; E727-H832 VanDerWaalsContact OE1-CD2 3.28Å; E727-H832 IonicContact OE1-NE2 2.87Å; I752-H832 HydrophobicContact CD1-CB 4.06Å; A828-H832 PolarHBondContact O-N 3.03Å; L829-H832 PolarHBondContact O-N 2.88Å; W830-H832 VanDerWaalsContact C-N 3.34Å; H832-Q834 VanDerWaalsContact C-N 3.3Å; H832-Q834 PolarHBondContact O-N 3.48Å; H832-S835 PolarHBondContact O-N 3.17Å; H832-S835 PolarHBondContact O-OG 2.94Å; H832-T836 PolarHBondContact O-N 2.95Å; H832-T836 PolarHBondContact O-OG1 2.87Å
833	M	92.2	Very high	86.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-52.6	-47.4	173.2	-179.9	-161.9	72.6	0	0	111.3	I729 R747 P749 L829 W830 S835 T836 E837	I729-M833 HydrophobicContact CD1-CG 3.89Å; I729-M833 HydrophobicContact CD1-SD 4.42Å; I729-M833 HydrophobicContact CG1-CG 4.19Å; I729-M833 HydrophobicContact CG1-SD 4.28Å; I729-M833 HydrophobicContact CG2-SD 3.81Å; R747-M833 HydrophobicContact CB-CE 3.86Å; R747-M833 HydrophobicContact CB-SD 4.17Å; P749-M833 HydrophobicContact CG-CB 4.39Å; L829-M833 PolarHBondContact O-N 3.46Å; W830-M833 HydrophobicContact CG-CE 4.35Å; W830-M833 PolarHBondContact O-N 3.12Å; M833-S835 VanDerWaalsContact C-N 3.29Å; M833-S835 PolarHBondContact O-N 2.94Å; M833-T836 PolarHBondContact O-N 3.1Å; M833-T836 PolarHBondContact O-OG1 3.03Å; M833-E837 HydrophobicContact CG-CG 4.41Å; M833-E837 WeakPolarHBondContact O-CB 3.05Å; M833-E837 WeakPolarHBondContact O-CG 3.49Å; M833-E837 PolarHBondContact O-N 3.09Å
834	Q	90.3	Very high	85.9	Confident	75 Å²	75	61.8 Å²	61.8	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-31.7	178.2	-72.2	-148.9	-53.8	0	0	114.2	W830 K831 H832	W830-Q834 HydrophobicContact CD2-CG 4.19Å; W830-Q834 HydrophobicContact CE3-CG 4.06Å; W830-Q834 HydrophobicContact CH2-CG 4.16Å; W830-Q834 HydrophobicContact CZ2-CG 4.22Å; W830-Q834 VanDerWaalsContact CZ3-CD 3.43Å; W830-Q834 HydrophobicContact CZ3-CG 4.07Å; W830-Q834 WeakPolarHBondContact O-CG 3.48Å; W830-Q834 PolarHBondContact O-N 2.86Å; K831-Q834 PolarHBondContact O-N 2.77Å; H832-Q834 VanDerWaalsContact C-N 3.3Å; H832-Q834 PolarHBondContact O-N 3.48Å
835	S	89.2	Confident	85.8	Confident	55 Å²	55	66.6 Å²	66.6	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-76.1	-45.3	174.3	66.4	0	0	0	0	111.4	K831 H832 M833 E837 L838 T839	K831-S835 PolarHBondContact O-N 3.24Å; K831-S835 VanDerWaalsContact O-N 3.12Å; H832-S835 PolarHBondContact O-N 3.17Å; H832-S835 PolarHBondContact O-OG 2.94Å; M833-S835 VanDerWaalsContact C-N 3.29Å; M833-S835 PolarHBondContact O-N 2.94Å; S835-E837 VanDerWaalsContact C-N 3.34Å; S835-E837 PolarHBondContact O-N 3.21Å; S835-L838 PolarHBondContact O-N 3.06Å; S835-T839 PolarHBondContact O-N 2.87Å; S835-T839 PolarHBondContact O-OG1 2.9Å
836	T	88.3	Confident	85.8	Confident	12 Å²	12	65.3 Å²	65.3	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-31.9	-177.5	61.4	0	0	0	0	113.1	R703 S704 E727 H832 M833 L838 A840	R703-T836 PolarHBondContact NH1-OG1 2.8Å; R703-T836 VanDerWaalsContact NH1-OG1 3.15Å; S704-T836 PolarHBondContact OG-O 2.9Å; E727-T836 VanDerWaalsContact CD-OG1 3.28Å; E727-T836 WeakPolarHBondContact OE1-CG2 3.28Å; E727-T836 PolarHBondContact OE1-OG1 2.83Å; E727-T836 PolarHBondContact OE2-OG1 2.85Å; H832-T836 PolarHBondContact O-N 2.95Å; H832-T836 PolarHBondContact O-OG1 2.87Å; M833-T836 PolarHBondContact O-N 3.1Å; M833-T836 PolarHBondContact O-OG1 3.03Å; T836-L838 PolarHBondContact O-N 2.85Å; T836-A840 HydrophobicContact CG2-CB 4.21Å; T836-A840 WeakPolarHBondContact O-CB 3.05Å; T836-A840 PolarHBondContact O-N 2.97Å
837	E	87.9	Confident	86	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-46.9	-34.1	175.9	-86.3	179.2	-177	0	0	114.5	P702 R703 S704 R747 M833 S835	P702-E837 HydrophobicContact CG-CB 4.47Å; P702-E837 HydrophobicContact CG-CG 4.17Å; R703-E837 CarbonylContact C-O 3.54Å; R703-E837 WeakPolarHBondContact CA-O 3.19Å; S704-E837 PolarHBondContact N-O 3.18Å; R747-E837 IonicContact CZ-OE1 3.99Å; R747-E837 VanDerWaalsContact CZ-OE1 3.27Å; R747-E837 IonicContact CZ-OE2 3.9Å; R747-E837 IonicContact NE-OE1 2.82Å; R747-E837 PolarHBondContact NE-OE1 3.24Å; R747-E837 IonicContact NE-OE2 2.63Å; R747-E837 IonicContact NH2-OE1 2.68Å; R747-E837 PolarHBondContact NH2-OE1 2.81Å; R747-E837 IonicContact NH2-OE2 3.38Å; R747-E837 PolarHBondContact NH2-OE2 2.79Å; M833-E837 HydrophobicContact CG-CG 4.41Å; M833-E837 WeakPolarHBondContact O-CB 3.05Å; M833-E837 WeakPolarHBondContact O-CG 3.49Å; M833-E837 PolarHBondContact O-N 3.09Å; S835-E837 VanDerWaalsContact C-N 3.34Å; S835-E837 PolarHBondContact O-N 3.21Å
838	L	80.1	Confident	86.2	Confident	103 Å²	103	59 Å²	59	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-124	-31.4	-177.3	-66.8	176.3	0	0	0	114.6	S835 T836	S835-L838 PolarHBondContact O-N 3.06Å; T836-L838 PolarHBondContact O-N 2.85Å
839	T	84.4	Confident	86.4	Confident	104 Å²	104	55.7 Å²	55.7	64%	0.638	30%	0.301	S	S	*	.	H	α-helix	trans	-105.5	-14.1	-169	72.8	0	0	0	0	114.9	S835	S835-T839 PolarHBondContact O-N 2.87Å; S835-T839 PolarHBondContact O-OG1 2.9Å
840	A	82.9	Confident	86.6	Confident	18 Å²	18	55.9 Å²	55.9	15%	0.149	31%	0.305	C	S	.	.			trans	-65.8	145.5	-177.5	0	0	0	0	0	112.2	S704 L725 T836	S704-A840 WeakPolarHBondContact CB-O 3.47Å; S704-A840 PolarHBondContact OG-O 2.59Å; L725-A840 HydrophobicContact CD1-CB 3.53Å; T836-A840 HydrophobicContact CG2-CB 4.21Å; T836-A840 WeakPolarHBondContact O-CB 3.05Å; T836-A840 PolarHBondContact O-N 2.97Å
841	V	79.4	Confident	86.8	Confident	92 Å²	92	55.1 Å²	55.1	56%	0.558	30%	0.302	S	S	*	.			trans	-132.1	127.8	175.5	-179.2	0	0	0	0	106.2
842	T	78.9	Confident	87	Confident	43 Å²	43	50.2 Å²	50.2	26%	0.264	28%	0.281	S	S	.	.			trans	-96.6	136.8	167	-34.3	0	0	0	0	107.1	T705 M724 L725	T705-T842 VanDerWaalsContact CG2-OG1 3.26Å; T705-T842 WeakPolarHBondContact CG2-OG1 3.4Å; M724-T842 HydrophobicContact CG-CG2 4.14Å; L725-T842 HydrophobicContact CD2-CG2 4.36Å; L725-T842 WeakPolarHBondContact CD2-OG1 3.24Å
843	D	78.8	Confident	87.3	Confident	71 Å²	71	47 Å²	47	38%	0.38	27%	0.266	S	S	.	.			trans	-68.6	147.7	159.6	-150.7	-45.8	0	0	0	108.6	D845 D846	D843-D845 PolarHBondContact OD1-N 3.28Å; D843-D845 VanDerWaalsContact OD1-N 3.13Å; D843-D846 HydrophobicContact CB-CB 4.31Å
844	L	76.9	Confident	87.6	Confident	146 Å²	146	48 Å²	48	76%	0.764	27%	0.27	S	S	*	.	S	Bend	trans	-97.8	-14.9	179.4	-64.2	178.6	0	0	0	112.1
845	D	80.2	Confident	88	Confident	120 Å²	120	44.5 Å²	44.5	64%	0.642	25%	0.254	S	S	*	.	S	Bend	trans	-88.2	-12.8	178.2	-66.3	-15.9	0	0	0	112.6	D843	D843-D845 PolarHBondContact OD1-N 3.28Å; D843-D845 VanDerWaalsContact OD1-N 3.13Å
846	D	84.3	Confident	88.4	Confident	30 Å²	30	42.5 Å²	42.5	16%	0.16	24%	0.238	C	C	.	.	S	Bend	trans	-86.5	133.9	179	-73.3	-21	0	0	0	112.5	L797 Q798 F799 D843 P848	L797-D846 WeakPolarHBondContact CB-OD2 3.38Å; Q798-D846 VanDerWaalsContact CA-OD1 3.31Å; Q798-D846 WeakPolarHBondContact CA-OD1 3.45Å; Q798-D846 PolarHBondContact N-OD1 3.02Å; F799-D846 HydrophobicContact CE2-CB 4.03Å; D843-D846 HydrophobicContact CB-CB 4.31Å; D846-P848 WeakPolarHBondContact O-CD 3.32Å; D846-P848 VanDerWaalsContact O-N 3.17Å
847	M	88.5	Confident	88.8	Confident	27 Å²	27	42.5 Å²	42.5	13%	0.133	24%	0.237	C	C	.	.			trans	-52.6	116.9	171.4	175.5	55.4	55.3	0	0	111.8	D421 F799 A805 L849 Q872	D421-M847 WeakPolarHBondContact OD1-CE 3.02Å; F799-M847 HydrophobicContact CD2-CB 3.6Å; F799-M847 HydrophobicContact CE2-CB 3.94Å; F799-M847 WeakPolarHBondContact CE2-O 3.37Å; F799-M847 PolarHBondContact O-N 3.41Å; A805-M847 HydrophobicContact CB-CG 4.39Å; M847-L849 PolarHBondContact O-N 3.17Å; M847-Q872 HydrophobicContact SD-CG 4.28Å; M847-Q872 PolarHBondContact SD-NE2 2.91Å
848	P	91.9	Very high	89.3	Confident	32 Å²	32	42 Å²	42	21%	0.208	24%	0.235	C	C	.	.			trans	-80.4	61.9	-170	33.8	-39.2	0	0	0	112.9	M724 D846 A850 A851 Q872	M724-P848 HydrophobicContact CE-CB 3.54Å; M724-P848 HydrophobicContact CE-CG 3.91Å; M724-P848 HydrophobicContact SD-CB 3.9Å; M724-P848 HydrophobicContact SD-CG 4.48Å; D846-P848 WeakPolarHBondContact O-CD 3.32Å; D846-P848 VanDerWaalsContact O-N 3.17Å; P848-A850 VanDerWaalsContact C-N 3.26Å; P848-A850 PolarHBondContact O-N 3.22Å; P848-A850 VanDerWaalsContact O-N 3.14Å; P848-A851 HydrophobicContact CB-CB 3.95Å; P848-A851 VanDerWaalsContact O-CB 3.31Å; P848-A851 WeakPolarHBondContact O-CB 3.46Å; P848-A851 PolarHBondContact O-N 2.97Å; P848-Q872 WeakPolarHBondContact O-CB 3.44Å
849	L	94.1	Very high	90	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.1	-169.5	-163.3	73.9	0	0	0	113.4	L755 Y802 A805 V806 L811 M847 T873	L755-L849 HydrophobicContact CD1-CB 4.34Å; L755-L849 HydrophobicContact CD1-CD2 3.62Å; Y802-L849 HydrophobicContact CD2-CD1 3.48Å; Y802-L849 VanDerWaalsContact CD2-CD1 3.48Å; Y802-L849 HydrophobicContact CE2-CD1 3.5Å; Y802-L849 VanDerWaalsContact CE2-CD1 3.5Å; A805-L849 HydrophobicContact CB-CD1 4.28Å; A805-L849 HydrophobicContact CB-CD2 4.23Å; V806-L849 HydrophobicContact CG1-CD1 3.79Å; V806-L849 HydrophobicContact CG1-CD2 4.13Å; L811-L849 HydrophobicContact CD2-CD2 4.08Å; L811-L849 HydrophobicContact CD2-CG 4.17Å; M847-L849 PolarHBondContact O-N 3.17Å; L849-T873 HydrophobicContact CD1-CG2 3.54Å; L849-T873 HydrophobicContact CG-CG2 3.58Å; L849-T873 WeakPolarHBondContact O-CG2 3.44Å
850	A	95.3	Very high	90.5	Very high	18 Å²	18	34.3 Å²	34.3	15%	0.149	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.8	179.4	0	0	0	0	0	114.4	G726 T753 P848	G726-A850 WeakPolarHBondContact CA-O 3.49Å; T753-A850 HydrophobicContact CG2-CB 4.2Å; P848-A850 VanDerWaalsContact C-N 3.26Å; P848-A850 PolarHBondContact O-N 3.22Å; P848-A850 VanDerWaalsContact O-N 3.14Å
851	A	95.9	Very high	90.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.186	C	C	.	.			trans	-65	137.9	-167.3	0	0	0	0	0	113.7	M724 P848 Y853 G871 Q872	M724-A851 HydrophobicContact SD-CB 3.98Å; P848-A851 HydrophobicContact CB-CB 3.95Å; P848-A851 VanDerWaalsContact O-CB 3.31Å; P848-A851 WeakPolarHBondContact O-CB 3.46Å; P848-A851 PolarHBondContact O-N 2.97Å; A851-Y853 HydrophobicContact CB-CD1 4.45Å; A851-Y853 HydrophobicContact CB-CE1 3.89Å; A851-G871 WeakPolarHBondContact O-CA 3.48Å; A851-Q872 PolarHBondContact O-N 2.68Å
852	L	97.3	Very high	91.4	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.052	16%	0.164	C	C	.	.			trans	-108.7	99.6	-178	-69.9	171.1	0	0	0	111	S722 D723 L728 Y751 A870	S722-L852 CarbonylContact C-O 3.53Å; S722-L852 WeakPolarHBondContact CB-O 3.43Å; S722-L852 PolarHBondContact OG-O 2.98Å; D723-L852 PolarHBondContact O-N 3.32Å; L728-L852 HydrophobicContact CB-CD1 4.32Å; Y751-L852 HydrophobicContact CE2-CD1 3.88Å; Y751-L852 WeakPolarHBondContact OH-CD1 3.2Å; Y751-L852 WeakPolarHBondContact OH-CD2 3.45Å; L852-A870 CarbonylContact C-O 3.46Å; L852-A870 WeakPolarHBondContact CA-O 3.24Å
853	Y	97.1	Very high	92.1	Very high	17 Å²	17	28 Å²	28	7%	0.067	15%	0.152	C	C	.	.			trans	-77.4	-24.1	-176.2	-54.2	-38.2	0	0	0	114.5	P393 W395 W708 A851 A870 Q872	P393-Y853 HydrophobicContact CB-CE2 4.3Å; W395-Y853 AromaticContact CD2-CD2 3.86Å; W395-Y853 HydrophobicContact CD2-CD2 3.86Å; W395-Y853 HydrophobicContact CD2-CE2 4.44Å; W395-Y853 HydrophobicContact CD2-CG 4.19Å; W395-Y853 AromaticContact CE2-CD2 3.54Å; W395-Y853 AromaticContact CE2-CE2 3.66Å; W395-Y853 HydrophobicContact CE3-CD2 4.26Å; W395-Y853 HydrophobicContact CE3-CG 4.11Å; W395-Y853 HydrophobicContact CG-CD2 4.39Å; W395-Y853 AromaticContact CH2-CD1 3.89Å; W395-Y853 HydrophobicContact CH2-CD1 3.89Å; W395-Y853 HydrophobicContact CH2-CD2 4.09Å; W395-Y853 AromaticContact CH2-CE1 3.97Å; W395-Y853 HydrophobicContact CH2-CE1 3.97Å; W395-Y853 HydrophobicContact CH2-CE2 4.15Å; W395-Y853 AromaticContact CH2-CG 3.96Å; W395-Y853 HydrophobicContact CH2-CG 3.96Å; W395-Y853 HydrophobicContact CZ2-CD1 4.23Å; W395-Y853 AromaticContact CZ2-CD2 3.68Å; W395-Y853 HydrophobicContact CZ2-CD2 3.68Å; W395-Y853 HydrophobicContact CZ2-CE1 4.09Å; W395-Y853 AromaticContact CZ2-CE2 3.5Å; W395-Y853 HydrophobicContact CZ2-CE2 3.5Å; W395-Y853 VanDerWaalsContact CZ2-CE2 3.5Å; W395-Y853 HydrophobicContact CZ2-CG 4.05Å; W395-Y853 AromaticContact CZ2-CZ 3.72Å; W395-Y853 HydrophobicContact CZ3-CD1 4.16Å; W395-Y853 HydrophobicContact CZ3-CD2 4.36Å; W395-Y853 AromaticContact CZ3-CG 3.99Å; W395-Y853 HydrophobicContact CZ3-CG 3.99Å; W395-Y853 AromaticContact NE1-CD2 3.89Å; W395-Y853 AromaticContact NE1-CE2 3.89Å; W708-Y853 AromaticContact CD1-CD1 3.79Å; W708-Y853 HydrophobicContact CD2-CD1 4.38Å; W708-Y853 HydrophobicContact CG-CD1 4.01Å; A851-Y853 HydrophobicContact CB-CD1 4.45Å; A851-Y853 HydrophobicContact CB-CE1 3.89Å; Y853-A870 PolarHBondContact N-O 2.99Å; Y853-Q872 HydrophobicContact CE2-CB 3.88Å; Y853-Q872 VanDerWaalsContact CE2-OE1 3.24Å; Y853-Q872 PolarHBondContact OH-OE1 3.37Å
854	K	97.9	Very high	92.8	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.096	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.5	-177.6	-142.4	58.6	154.2	178.8	0	113.5	W395 L397 E662 S869 A870	W395-K854 WeakPolarHBondContact O-CD 3.31Å; W395-K854 WeakPolarHBondContact O-CE 3.43Å; L397-K854 HydrophobicContact CB-CB 4.27Å; L397-K854 HydrophobicContact CB-CG 4.06Å; E662-K854 IonicContact OE1-NZ 3.68Å; E662-K854 PolarHBondContact OE1-NZ 2.85Å; E662-K854 IonicContact OE2-NZ 2.73Å; K854-S869 CarbonylContact O-C 3.5Å; K854-S869 WeakPolarHBondContact O-CA 3.23Å; K854-A870 PolarHBondContact N-O 2.76Å; K854-A870 PolarHBondContact O-N 2.92Å
855	A	97.8	Very high	93.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.8	170.2	0	0	0	0	0	111.9	S709 S711 M720 L728 G868	S709-A855 PolarHBondContact OG-N 2.88Å; S709-A855 VanDerWaalsContact OG-N 3.14Å; S709-A855 PolarHBondContact OG-O 3.31Å; S711-A855 WeakPolarHBondContact CB-O 3.47Å; M720-A855 HydrophobicContact CE-CB 3.83Å; M720-A855 HydrophobicContact SD-CB 4.42Å; L728-A855 HydrophobicContact CD1-CB 3.64Å; A855-G868 CarbonylContact C-O 3.48Å; A855-G868 VanDerWaalsContact CA-O 3.31Å; A855-G868 WeakPolarHBondContact CA-O 3.21Å
856	R	98	Very high	94.5	Very high	13 Å²	13	12 Å²	12	5%	0.049	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	132.1	-179.1	-69.5	-60.4	-175.2	-109	5.1	113.8	L397 E398 W399 E662 S709 L710 V867 G868	L397-R856 HydrophobicContact CD2-CB 3.98Å; L397-R856 HydrophobicContact CD2-CG 4.13Å; L397-R856 VanDerWaalsContact O-CG 3.25Å; L397-R856 WeakPolarHBondContact O-CG 3.33Å; E398-R856 IonicContact OE1-CZ 2.77Å; E398-R856 VanDerWaalsContact OE1-CZ 3.31Å; E398-R856 IonicContact OE1-NE 3.96Å; E398-R856 PolarHBondContact OE1-NE 2.94Å; E398-R856 IonicContact OE1-NH2 3.74Å; E398-R856 PolarHBondContact OE1-NH2 3.23Å; E398-R856 WeakPolarHBondContact OE2-CD 3.26Å; E398-R856 IonicContact OE2-NE 2.65Å; E398-R856 PolarHBondContact OE2-NE 3.01Å; W399-R856 PolarHBondContact NE1-O 3.1Å; W399-R856 VanDerWaalsContact NE1-O 3.14Å; E662-R856 IonicContact OE1-CZ 3.38Å; E662-R856 IonicContact OE1-NH1 3.4Å; E662-R856 PolarHBondContact OE1-NH1 3.02Å; E662-R856 IonicContact OE1-NH2 3.8Å; E662-R856 PolarHBondContact OE1-NH2 2.8Å; E662-R856 IonicContact OE2-CZ 3.49Å; E662-R856 IonicContact OE2-NH1 2.64Å; E662-R856 PolarHBondContact OE2-NH1 2.78Å; E662-R856 IonicContact OE2-NH2 3.16Å; S709-R856 PolarHBondContact OG-NH1 3.26Å; L710-R856 PolarHBondContact O-NH1 3.42Å; R856-V867 WeakPolarHBondContact O-CA 3.41Å; R856-G868 PolarHBondContact N-O 3.04Å; R856-G868 PolarHBondContact O-N 2.94Å
857	F	97.8	Very high	95.1	Very high	11 Å²	11	10.7 Å²	10.7	5%	0.048	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.5	157.1	-72.6	-78.1	0	0	0	111	W399 S711 L716 T718 M720 L730 V867	W399-F857 VanDerWaalsContact CD1-O 3.25Å; S711-F857 PolarHBondContact OG-N 3.05Å; S711-F857 VanDerWaalsContact OG-N 3.14Å; L716-F857 HydrophobicContact CD1-CD1 4.22Å; L716-F857 HydrophobicContact CD1-CE1 3.87Å; T718-F857 HydrophobicContact CG2-CZ 3.99Å; M720-F857 HydrophobicContact CB-CD2 4.3Å; M720-F857 HydrophobicContact CB-CE2 3.48Å; M720-F857 VanDerWaalsContact CB-CE2 3.48Å; M720-F857 HydrophobicContact CB-CZ 3.84Å; M720-F857 HydrophobicContact CE-CD2 4.09Å; M720-F857 HydrophobicContact CE-CE2 4.25Å; M720-F857 HydrophobicContact CE-CG 4.38Å; L730-F857 HydrophobicContact CD2-CE1 4.27Å; L730-F857 HydrophobicContact CD2-CZ 4.01Å; F857-V867 HydrophobicContact CD1-CG1 3.34Å; F857-V867 HydrophobicContact CE1-CG1 3.55Å; F857-V867 HydrophobicContact CG-CG1 4.02Å; F857-V867 HydrophobicContact CZ-CG1 4.4Å
858	N	97.2	Very high	95.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.			trans	-72.1	126.8	167.2	-176.8	-41.7	0	0	0	109.4	W399 Q410 N860 H864 W866	W399-N858 HydrophobicContact CD2-CB 3.84Å; W399-N858 HydrophobicContact CE3-CB 4.33Å; W399-N858 VanDerWaalsContact CE3-ND2 3.27Å; W399-N858 HydrophobicContact CG-CB 4.03Å; W399-N858 HydrophobicContact CZ2-CB 4.3Å; Q410-N858 PolarHBondContact OE1-ND2 3.33Å; Q410-N858 PolarHBondContact OE1-OD1 2.89Å; N858-N860 VanDerWaalsContact C-N 3.31Å; N858-N860 PolarHBondContact O-N 3.38Å; N858-N860 VanDerWaalsContact OD1-CB 3.24Å; N858-N860 WeakPolarHBondContact OD1-CB 3.37Å; N858-N860 PolarHBondContact OD1-N 3.4Å; N858-N860 PolarHBondContact OD1-ND2 2.68Å; N858-H864 WeakPolarHBondContact O-CA 3.17Å; N858-W866 HydrophobicContact CB-CB 4.22Å; N858-W866 WeakPolarHBondContact CB-O 3.44Å; N858-W866 PolarHBondContact N-O 2.92Å
859	P	95.3	Very high	95.8	Very high	43 Å²	43	7.9 Å²	7.9	28%	0.279	5%	0.045	S	C	.	.			trans	-79.6	-8	-176.3	32.9	-36.4	0	0	0	113.9	R314 W399 W715	R314-P859 VanDerWaalsContact CZ-O 3.3Å; R314-P859 PolarHBondContact NH1-O 3.25Å; R314-P859 PolarHBondContact NH2-O 3.05Å; W399-P859 VanDerWaalsContact CB-CD 3.49Å; W399-P859 HydrophobicContact CB-CG 4.36Å; W715-P859 PolarHBondContact NE1-O 3.28Å
860	N	95.2	Very high	96	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.016	4%	0.044	C	C	.	.	S	Bend	trans	-87.9	132.4	-167.5	-58.7	-32.8	0	0	0	111.4	C400 P401 S402 Q410 N858 S862 S863 H864	C400-N860 PolarHBondContact O-ND2 2.91Å; P401-N860 VanDerWaalsContact CA-OD1 3.29Å; P401-N860 WeakPolarHBondContact CA-OD1 3.22Å; S402-N860 PolarHBondContact N-OD1 2.9Å; S402-N860 VanDerWaalsContact OG-CG 3.27Å; Q410-N860 PolarHBondContact OE1-ND2 2.89Å; N858-N860 VanDerWaalsContact C-N 3.31Å; N858-N860 PolarHBondContact O-N 3.38Å; N858-N860 VanDerWaalsContact OD1-CB 3.24Å; N858-N860 WeakPolarHBondContact OD1-CB 3.37Å; N858-N860 PolarHBondContact OD1-N 3.4Å; N858-N860 PolarHBondContact OD1-ND2 2.68Å; N860-S862 VanDerWaalsContact C-N 3.31Å; N860-S862 PolarHBondContact O-N 2.89Å; N860-S862 VanDerWaalsContact O-N 3.15Å; N860-S863 CarbonylContact O-C 3.57Å; N860-S863 PolarHBondContact O-N 2.94Å; N860-H864 PolarHBondContact O-N 3.15Å
861	M	92.3	Very high	96.1	Very high	4 Å²	4	7 Å²	7	2%	0.02	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-52.8	-42.1	-171.1	-168.1	-160.9	-173.6	0	0	114.1	D404 W715 S863 H864 M892 I893 H896	D404-M861 HydrophobicContact CB-CB 4.16Å; D404-M861 HydrophobicContact CB-SD 4.16Å; W715-M861 HydrophobicContact CH2-CB 4.16Å; W715-M861 HydrophobicContact CH2-CG 3.73Å; W715-M861 HydrophobicContact CH2-SD 4.46Å; W715-M861 HydrophobicContact CZ2-CB 3.77Å; W715-M861 HydrophobicContact CZ2-CG 3.84Å; W715-M861 HydrophobicContact CZ3-CG 4.23Å; M861-S863 PolarHBondContact O-N 3.38Å; M861-H864 PolarHBondContact O-ND1 3.16Å; M861-M892 HydrophobicContact CE-CB 4.06Å; M861-M892 HydrophobicContact CE-CG 3.55Å; M861-M892 HydrophobicContact CE-SD 3.58Å; M861-M892 VanDerWaalsContact CE-SD 3.58Å; M861-I893 HydrophobicContact CE-CG1 4.04Å; M861-I893 HydrophobicContact CG-CG1 4.12Å; M861-I893 WeakPolarHBondContact O-CD1 3.41Å; M861-I893 HydrophobicContact SD-CG1 4.36Å; M861-H896 HydrophobicContact CE-CB 4.5Å; M861-H896 HydrophobicContact SD-CB 3.96Å
862	S	89.5	Confident	96.1	Very high	12 Å²	12	7.4 Å²	7.4	8%	0.084	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-69	-19.1	179.1	-54.7	0	0	0	0	114	N860	N860-S862 VanDerWaalsContact C-N 3.31Å; N860-S862 PolarHBondContact O-N 2.89Å; N860-S862 VanDerWaalsContact O-N 3.15Å
863	S	93.8	Very high	96.1	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.021	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-128.1	8.3	-166.7	-57.3	0	0	0	0	113.6	L444 N860 M861 V865 W866	L444-S863 VanDerWaalsContact O-CB 3.3Å; L444-S863 WeakPolarHBondContact O-CB 3.41Å; L444-S863 PolarHBondContact O-OG 2.84Å; N860-S863 CarbonylContact O-C 3.57Å; N860-S863 PolarHBondContact O-N 2.94Å; M861-S863 PolarHBondContact O-N 3.38Å; S863-V865 PolarHBondContact O-N 3.25Å; S863-W866 WeakPolarHBondContact O-CB 3.07Å; S863-W866 PolarHBondContact O-N 3.45Å
864	H	93.7	Very high	96.1	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.009	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.9	-168.6	68.2	-85.6	0	0	0	116.8	W715 N858 N860 M861	W715-H864 HydrophobicContact CB-CB 3.86Å; W715-H864 HydrophobicContact CG-CB 3.82Å; N858-H864 WeakPolarHBondContact O-CA 3.17Å; N860-H864 PolarHBondContact O-N 3.15Å; M861-H864 PolarHBondContact O-ND1 3.16Å
865	V	94.6	Very high	96.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.2	172.9	-72.8	0	0	0	0	114	L716 S863 A881 F884 I885	L716-V865 HydrophobicContact CD1-CG1 4.3Å; L716-V865 HydrophobicContact CD2-CG1 4.22Å; S863-V865 PolarHBondContact O-N 3.25Å; V865-A881 HydrophobicContact CB-CB 4.27Å; V865-A881 WeakPolarHBondContact CG1-O 3.48Å; V865-A881 WeakPolarHBondContact O-CB 3.21Å; V865-A881 PolarHBondContact O-N 2.85Å; V865-F884 HydrophobicContact CG1-CB 4.07Å; V865-I885 HydrophobicContact CB-CD1 4.35Å; V865-I885 HydrophobicContact CG1-CD1 3.49Å; V865-I885 VanDerWaalsContact CG1-CD1 3.49Å; V865-I885 HydrophobicContact CG1-CG1 3.97Å; V865-I885 HydrophobicContact CG2-CD1 3.92Å; V865-I885 HydrophobicContact CG2-CG1 4.28Å
866	W	96.3	Very high	96.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.2	176.1	-72.3	90.9	0	0	0	111	W384 M386 L444 E445 P450 N858 S863 H879 C880	W384-W866 HydrophobicContact CB-CH2 3.81Å; W384-W866 HydrophobicContact CB-CZ2 4.43Å; W384-W866 HydrophobicContact CE3-CZ2 4.31Å; W384-W866 WeakPolarHBondContact O-CH2 3.38Å; W384-W866 WeakPolarHBondContact O-CZ3 3.32Å; M386-W866 HydrophobicContact CE-CE3 4.42Å; M386-W866 HydrophobicContact CE-CH2 3.73Å; M386-W866 HydrophobicContact CE-CZ3 3.49Å; M386-W866 VanDerWaalsContact CE-CZ3 3.49Å; L444-W866 HydrophobicContact CB-CD2 4.06Å; L444-W866 HydrophobicContact CB-CG 4.02Å; L444-W866 HydrophobicContact CB-CZ2 4.4Å; L444-W866 HydrophobicContact CD1-CB 4.39Å; L444-W866 HydrophobicContact CD1-CD2 4.09Å; L444-W866 HydrophobicContact CD1-CE3 4.27Å; L444-W866 HydrophobicContact CD1-CG 4.16Å; L444-W866 HydrophobicContact CD2-CD2 4.38Å; L444-W866 HydrophobicContact CD2-CE3 4.44Å; L444-W866 HydrophobicContact CD2-CH2 4.18Å; L444-W866 HydrophobicContact CD2-CZ2 4.11Å; L444-W866 HydrophobicContact CD2-CZ3 4.36Å; L444-W866 HydrophobicContact CG-CD2 4.43Å; L444-W866 PolarHBondContact O-NE1 3.41Å; E445-W866 PolarHBondContact O-NE1 3.15Å; P450-W866 HydrophobicContact CG-CH2 3.64Å; P450-W866 HydrophobicContact CG-CZ2 3.79Å; N858-W866 HydrophobicContact CB-CB 4.22Å; N858-W866 WeakPolarHBondContact CB-O 3.44Å; N858-W866 PolarHBondContact N-O 2.92Å; S863-W866 WeakPolarHBondContact O-CB 3.07Å; S863-W866 PolarHBondContact O-N 3.45Å; W866-H879 WeakPolarHBondContact CA-O 3.42Å; W866-H879 VanDerWaalsContact CE3-O 3.31Å; W866-C880 HydrophobicContact CD2-CB 3.82Å; W866-C880 HydrophobicContact CE3-CB 3.88Å; W866-C880 HydrophobicContact CH2-CB 3.81Å; W866-C880 HydrophobicContact CZ2-CB 3.72Å; W866-C880 HydrophobicContact CZ3-CB 3.87Å; W866-C880 PolarHBondContact NE1-SG 2.67Å
867	V	96.8	Very high	96.1	Very high	3 Å²	3	5.3 Å²	5.3	2%	0.018	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.3	175.4	-63.6	0	0	0	0	110	M720 L728 R856 F857 L878 H879	M720-V867 HydrophobicContact CE-CB 4.07Å; M720-V867 HydrophobicContact CE-CG1 3.85Å; M720-V867 HydrophobicContact SD-CB 3.97Å; M720-V867 HydrophobicContact SD-CG1 3.74Å; M720-V867 HydrophobicContact SD-CG2 4.36Å; L728-V867 HydrophobicContact CD2-CG2 4.5Å; R856-V867 WeakPolarHBondContact O-CA 3.41Å; F857-V867 HydrophobicContact CD1-CG1 3.34Å; F857-V867 HydrophobicContact CE1-CG1 3.55Å; F857-V867 HydrophobicContact CG-CG1 4.02Å; F857-V867 HydrophobicContact CZ-CG1 4.4Å; V867-L878 WeakPolarHBondContact O-CA 3.41Å; V867-H879 HydrophobicContact CG2-CB 3.78Å; V867-H879 PolarHBondContact N-O 3.12Å; V867-H879 PolarHBondContact O-N 2.96Å
868	G	97.8	Very high	96	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	168.6	0	0	0	0	0	110.1	A855 R856	A855-G868 CarbonylContact C-O 3.48Å; A855-G868 VanDerWaalsContact CA-O 3.31Å; A855-G868 WeakPolarHBondContact CA-O 3.21Å; R856-G868 PolarHBondContact N-O 3.04Å; R856-G868 PolarHBondContact O-N 2.94Å
869	S	98.3	Very high	95.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.7	-176.8	54.2	0	0	0	0	111.2	Y751 K854 V876 R877	Y751-S869 WeakPolarHBondContact CE1-OG 3.48Å; Y751-S869 WeakPolarHBondContact OH-CB 3.42Å; Y751-S869 PolarHBondContact OH-OG 2.76Å; K854-S869 CarbonylContact O-C 3.5Å; K854-S869 WeakPolarHBondContact O-CA 3.23Å; S869-V876 CarbonylContact O-C 3.47Å; S869-V876 WeakPolarHBondContact O-CA 3.26Å; S869-R877 PolarHBondContact N-O 2.81Å; S869-R877 PolarHBondContact O-N 3.25Å; S869-R877 PolarHBondContact OG-O 2.91Å; S869-R877 VanDerWaalsContact OG-O 3.09Å
870	A	98.1	Very high	95.7	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	169.7	-176.8	0	0	0	0	0	112.2	V394 L397 L852 Y853 K854 V876	V394-A870 HydrophobicContact CB-CB 3.66Å; V394-A870 HydrophobicContact CG1-CB 3.68Å; V394-A870 HydrophobicContact CG2-CB 4.17Å; L397-A870 HydrophobicContact CD1-CB 4.18Å; L852-A870 CarbonylContact C-O 3.46Å; L852-A870 WeakPolarHBondContact CA-O 3.24Å; Y853-A870 PolarHBondContact N-O 2.99Å; K854-A870 PolarHBondContact N-O 2.76Å; K854-A870 PolarHBondContact O-N 2.92Å; A870-V876 HydrophobicContact CB-CB 4.22Å; A870-V876 HydrophobicContact CB-CG1 4.3Å; A870-V876 HydrophobicContact CB-CG2 3.79Å
871	G	97	Very high	95.6	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.01	2%	0.02	C	C	.	.			trans	-176.4	-136.7	176.5	0	0	0	0	0	114.1	V394 A851 T873 G874	V394-G871 PolarHBondContact N-O 3.02Å; A851-G871 WeakPolarHBondContact O-CA 3.48Å; G871-T873 VanDerWaalsContact C-N 3.32Å; G871-T873 PolarHBondContact O-N 3.29Å; G871-G874 PolarHBondContact O-N 3.39Å; G871-G874 VanDerWaalsContact O-N 3.16Å
872	Q	96.7	Very high	95.5	Very high	11 Å²	11	6.4 Å²	6.4	5%	0.051	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.9	-164.1	-179.6	55.3	13.8	0	0	114.1	M420 M847 P848 A851 Y853 G874	M420-Q872 PolarHBondContact O-NE2 2.84Å; M420-Q872 VanDerWaalsContact SD-O 3.37Å; M847-Q872 HydrophobicContact SD-CG 4.28Å; M847-Q872 PolarHBondContact SD-NE2 2.91Å; P848-Q872 WeakPolarHBondContact O-CB 3.44Å; A851-Q872 PolarHBondContact O-N 2.68Å; Y853-Q872 HydrophobicContact CE2-CB 3.88Å; Y853-Q872 VanDerWaalsContact CE2-OE1 3.24Å; Y853-Q872 PolarHBondContact OH-OE1 3.37Å; Q872-G874 VanDerWaalsContact C-N 3.29Å; Q872-G874 PolarHBondContact O-N 3.08Å
873	T	96.8	Very high	95.4	Very high	9 Å²	9	5.9 Å²	5.9	6%	0.055	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.3	-175.4	47.1	0	0	0	0	115.2	A352 F389 Y802 L811 L849 G871 L875	A352-T873 HydrophobicContact CB-CG2 3.98Å; F389-T873 WeakPolarHBondContact CE2-O 3.49Å; Y802-T873 HydrophobicContact CE2-CG2 4.01Å; L811-T873 HydrophobicContact CD1-CG2 3.77Å; L811-T873 HydrophobicContact CD2-CG2 4.49Å; L849-T873 HydrophobicContact CD1-CG2 3.54Å; L849-T873 HydrophobicContact CG-CG2 3.58Å; L849-T873 WeakPolarHBondContact O-CG2 3.44Å; G871-T873 VanDerWaalsContact C-N 3.32Å; G871-T873 PolarHBondContact O-N 3.29Å; T873-L875 PolarHBondContact O-N 2.87Å
874	G	97.4	Very high	95.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.			trans	67.8	-1.3	-176.2	0	0	0	0	0	115.5	F389 A390 G392 G871 Q872	F389-G874 WeakPolarHBondContact CD2-O 2.79Å; A390-G874 PolarHBondContact N-O 2.93Å; G392-G874 WeakPolarHBondContact O-CA 3.43Å; G871-G874 PolarHBondContact O-N 3.39Å; G871-G874 VanDerWaalsContact O-N 3.16Å; Q872-G874 VanDerWaalsContact C-N 3.29Å; Q872-G874 PolarHBondContact O-N 3.08Å
875	L	98.2	Very high	95	Very high	7 Å²	7	6.1 Å²	6.1	4%	0.037	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.2	166.3	-73.7	170.9	0	0	0	109	F354 L371 F387 F389 L811 F813 T873	F354-L875 HydrophobicContact CB-CD1 4.38Å; F354-L875 HydrophobicContact CD1-CD1 3.82Å; F354-L875 HydrophobicContact CD1-CD2 4.29Å; F354-L875 HydrophobicContact CE1-CD1 4.29Å; F354-L875 HydrophobicContact CE1-CD2 3.93Å; F354-L875 HydrophobicContact CG-CD1 4.14Å; F354-L875 HydrophobicContact CZ-CD2 4.46Å; L371-L875 HydrophobicContact CD1-CD2 4.22Å; F387-L875 HydrophobicContact CD1-CD2 4.41Å; F389-L875 HydrophobicContact CB-CD2 4.37Å; F389-L875 HydrophobicContact CD2-CD2 4.36Å; L811-L875 HydrophobicContact CD1-CD1 3.79Å; F813-L875 HydrophobicContact CE2-CD1 4.18Å; F813-L875 HydrophobicContact CZ-CD1 4.22Å; T873-L875 PolarHBondContact O-N 2.87Å
876	V	98.3	Very high	94.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125	175.3	-179.1	0	0	0	0	107.1	F387 L388 A390 V394 L397 L414 S869 A870	F387-V876 WeakPolarHBondContact CA-O 3.46Å; L388-V876 HydrophobicContact CD1-CB 3.51Å; L388-V876 HydrophobicContact CD1-CG1 4.04Å; L388-V876 HydrophobicContact CD1-CG2 3.75Å; L388-V876 HydrophobicContact CG-CB 3.84Å; L388-V876 HydrophobicContact CG-CG1 4.23Å; L388-V876 PolarHBondContact N-O 3.38Å; L388-V876 PolarHBondContact O-N 2.82Å; A390-V876 HydrophobicContact CB-CG2 4.19Å; V394-V876 HydrophobicContact CG2-CG2 3.98Å; L397-V876 HydrophobicContact CD1-CG1 3.86Å; L414-V876 HydrophobicContact CD2-CG1 4.43Å; L414-V876 HydrophobicContact CD2-CG2 3.98Å; S869-V876 CarbonylContact O-C 3.47Å; S869-V876 WeakPolarHBondContact O-CA 3.26Å; A870-V876 HydrophobicContact CB-CB 4.22Å; A870-V876 HydrophobicContact CB-CG1 4.3Å; A870-V876 HydrophobicContact CB-CG2 3.79Å
877	R	96.8	Very high	94.5	Very high	2 Å²	2	10 Å²	10	1%	0.008	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.4	-173.5	-162.7	176.3	-175.2	-174	-5	112.2	D385 F387 F813 D815 S869 H879	D385-R877 IonicContact OD2-NH2 2.62Å; D385-R877 PolarHBondContact OD2-NH2 3.36Å; F387-R877 HydrophobicContact CD1-CB 4.33Å; F387-R877 HydrophobicContact CD1-CG 4.12Å; F387-R877 HydrophobicContact CD2-CG 4.47Å; F387-R877 HydrophobicContact CE1-CB 4.26Å; F387-R877 HydrophobicContact CE1-CG 3.89Å; F387-R877 HydrophobicContact CE2-CG 4.23Å; F387-R877 VanDerWaalsContact CE2-NE 3.28Å; F387-R877 HydrophobicContact CG-CG 4.42Å; F387-R877 HydrophobicContact CZ-CG 3.96Å; F387-R877 VanDerWaalsContact CZ-CZ 3.48Å; F813-R877 VanDerWaalsContact CB-NH1 3.25Å; D815-R877 VanDerWaalsContact CG-NH2 3.29Å; D815-R877 IonicContact OD1-CZ 3.65Å; D815-R877 VanDerWaalsContact OD1-CZ 3.22Å; D815-R877 IonicContact OD1-NH1 2.78Å; D815-R877 PolarHBondContact OD1-NH1 3.45Å; D815-R877 IonicContact OD1-NH2 3.31Å; D815-R877 PolarHBondContact OD1-NH2 2.89Å; D815-R877 IonicContact OD2-CZ 3.67Å; D815-R877 IonicContact OD2-NH1 2.64Å; D815-R877 IonicContact OD2-NH2 3.1Å; D815-R877 PolarHBondContact OD2-NH2 3.01Å; S869-R877 PolarHBondContact N-O 2.81Å; S869-R877 PolarHBondContact O-N 3.25Å; S869-R877 PolarHBondContact OG-O 2.91Å; S869-R877 VanDerWaalsContact OG-O 3.09Å; R877-H879 WeakPolarHBondContact CD-NE2 3.35Å; R877-H879 PolarHBondContact NE-NE2 2.77Å; R877-H879 VanDerWaalsContact NE-NE2 3.15Å
878	L	96.8	Very high	94.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.6	179.7	-48.3	-178.5	0	0	0	110.7	D385 M386 W399 I412 C441 P454 V867	D385-L878 WeakPolarHBondContact CA-O 3.32Å; M386-L878 HydrophobicContact CB-CB 4.28Å; M386-L878 HydrophobicContact CB-CD1 4.43Å; M386-L878 HydrophobicContact CE-CB 4.33Å; M386-L878 HydrophobicContact CE-CD1 4.05Å; M386-L878 PolarHBondContact N-O 3Å; M386-L878 VanDerWaalsContact N-O 3.14Å; M386-L878 PolarHBondContact O-N 2.99Å; W399-L878 HydrophobicContact CH2-CD2 4.3Å; W399-L878 HydrophobicContact CZ2-CD2 4.25Å; I412-L878 HydrophobicContact CD1-CD2 3.59Å; C441-L878 HydrophobicContact CB-CD1 4.29Å; P454-L878 HydrophobicContact CG-CD1 3.96Å; V867-L878 WeakPolarHBondContact O-CA 3.41Å
879	H	92.9	Very high	93.8	Very high	11 Å²	11	15 Å²	15	5%	0.051	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.8	174.9	-68.9	-109.9	0	0	0	111.7	Y751 D815 W866 V867 R877	Y751-H879 AromaticContact CD1-CD2 3.85Å; Y751-H879 AromaticContact CD1-CE1 3.55Å; Y751-H879 AromaticContact CD1-NE2 3.09Å; Y751-H879 WeakPolarHBondContact CD1-NE2 3.05Å; Y751-H879 AromaticContact CE1-CD2 3.84Å; Y751-H879 AromaticContact CE1-NE2 3.36Å; Y751-H879 WeakPolarHBondContact CE1-NE2 3.48Å; Y751-H879 AromaticContact CG-NE2 3.98Å; D815-H879 IonicContact OD1-CE1 3.25Å; W866-H879 WeakPolarHBondContact CA-O 3.42Å; W866-H879 VanDerWaalsContact CE3-O 3.31Å; V867-H879 HydrophobicContact CG2-CB 3.78Å; V867-H879 PolarHBondContact N-O 3.12Å; V867-H879 PolarHBondContact O-N 2.96Å; R877-H879 WeakPolarHBondContact CD-NE2 3.35Å; R877-H879 PolarHBondContact NE-NE2 2.77Å; R877-H879 VanDerWaalsContact NE-NE2 3.15Å
880	C	93.5	Very high	93.5	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.034	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.9	172.7	-164.6	0	0	0	0	110.7	W866 R882	W866-C880 HydrophobicContact CD2-CB 3.82Å; W866-C880 HydrophobicContact CE3-CB 3.88Å; W866-C880 HydrophobicContact CH2-CB 3.81Å; W866-C880 HydrophobicContact CZ2-CB 3.72Å; W866-C880 HydrophobicContact CZ3-CB 3.87Å; W866-C880 PolarHBondContact NE1-SG 2.67Å; C880-R882 HydrophobicContact CB-CG 3.99Å; C880-R882 PolarHBondContact O-N 2.88Å; C880-R882 WeakPolarHBondContact SG-CG 3.48Å
881	A	92.3	Very high	93.3	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	12%	0.12	C	C	.	.			trans	-78.8	59.9	-179.3	0	0	0	0	0	112.4	M818 V865 S883 F884	M818-A881 HydrophobicContact CE-CB 3.66Å; V865-A881 HydrophobicContact CB-CB 4.27Å; V865-A881 WeakPolarHBondContact CG1-O 3.48Å; V865-A881 WeakPolarHBondContact O-CB 3.21Å; V865-A881 PolarHBondContact O-N 2.85Å; A881-S883 PolarHBondContact O-N 3.2Å; A881-S883 VanDerWaalsContact O-N 3.14Å; A881-F884 HydrophobicContact CB-CD2 3.89Å; A881-F884 HydrophobicContact CB-CE2 4.24Å; A881-F884 PolarHBondContact O-N 3.35Å
882	R	89.8	Confident	93.1	Very high	66 Å²	66	24.1 Å²	24.1	25%	0.249	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-62	-24.5	-167.8	-66.3	172.7	66.6	-166.6	-0.7	114.6	W384 M818 C880 F884 I885	W384-R882 HydrophobicContact CZ3-CG 4.46Å; M818-R882 PolarHBondContact O-N 2.68Å; C880-R882 HydrophobicContact CB-CG 3.99Å; C880-R882 PolarHBondContact O-N 2.88Å; C880-R882 WeakPolarHBondContact SG-CG 3.48Å; R882-F884 PolarHBondContact O-N 3.2Å; R882-I885 PolarHBondContact O-N 2.71Å; R882-I885 VanDerWaalsContact O-N 3.13Å
883	S	87.8	Confident	92.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-54.5	-32	176.9	56.1	0	0	0	0	113.4	N293 M818 A881 I885	N293-S883 WeakPolarHBondContact CB-O 3.24Å; N293-S883 PolarHBondContact ND2-O 2.97Å; M818-S883 WeakPolarHBondContact O-CB 3.37Å; M818-S883 PolarHBondContact O-N 2.82Å; M818-S883 PolarHBondContact O-OG 2.82Å; A881-S883 PolarHBondContact O-N 3.2Å; A881-S883 VanDerWaalsContact O-N 3.14Å; S883-I885 VanDerWaalsContact C-N 3.33Å; S883-I885 PolarHBondContact O-N 2.77Å
884	F	88.9	Confident	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-73	-16.8	179.9	-73	-88.5	0	0	0	115	I295 I303 L716 T718 L730 I732 F748 M818 V865 A881 R882 T886	I295-F884 HydrophobicContact CD1-CD1 4.45Å; I303-F884 HydrophobicContact CD1-CD1 3.79Å; I303-F884 HydrophobicContact CD1-CE1 4.01Å; L716-F884 HydrophobicContact CB-CD1 4.42Å; L716-F884 HydrophobicContact CD1-CG 4.39Å; L716-F884 HydrophobicContact CD2-CB 3.66Å; L716-F884 HydrophobicContact CD2-CD1 3.93Å; L716-F884 HydrophobicContact CD2-CG 3.91Å; T718-F884 HydrophobicContact CG2-CE1 4.49Å; T718-F884 HydrophobicContact CG2-CZ 3.97Å; T718-F884 VanDerWaalsContact OG1-CE1 3.25Å; T718-F884 WeakPolarHBondContact OG1-CE1 3.48Å; L730-F884 HydrophobicContact CD2-CE2 4.4Å; I732-F884 HydrophobicContact CD1-CE1 3.78Å; I732-F884 HydrophobicContact CD1-CZ 4.07Å; I732-F884 HydrophobicContact CG1-CE1 3.9Å; I732-F884 HydrophobicContact CG1-CZ 3.97Å; F748-F884 AromaticContact CZ-CE2 3.88Å; F748-F884 HydrophobicContact CZ-CE2 3.88Å; F748-F884 AromaticContact CZ-CZ 3.86Å; F748-F884 HydrophobicContact CZ-CZ 3.86Å; M818-F884 HydrophobicContact CE-CE2 4.33Å; V865-F884 HydrophobicContact CG1-CB 4.07Å; A881-F884 HydrophobicContact CB-CD2 3.89Å; A881-F884 HydrophobicContact CB-CE2 4.24Å; A881-F884 PolarHBondContact O-N 3.35Å; R882-F884 PolarHBondContact O-N 3.2Å; F884-T886 PolarHBondContact O-N 3.37Å; F884-T886 VanDerWaalsContact O-N 3.14Å
885	I	89.9	Confident	92.5	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.056	16%	0.159	C	C	.	.			trans	-74.1	109.4	-172.4	-62	-62.9	0	0	0	111.5	H292 Y446 V865 R882 S883 K890	H292-I885 PolarHBondContact NE2-O 3.46Å; Y446-I885 HydrophobicContact CD2-CD1 4.36Å; Y446-I885 HydrophobicContact CD2-CG1 4.46Å; Y446-I885 HydrophobicContact CD2-CG2 3.85Å; Y446-I885 HydrophobicContact CE2-CG2 4.37Å; Y446-I885 HydrophobicContact CG-CD1 4.13Å; V865-I885 HydrophobicContact CB-CD1 4.35Å; V865-I885 HydrophobicContact CG1-CD1 3.49Å; V865-I885 VanDerWaalsContact CG1-CD1 3.49Å; V865-I885 HydrophobicContact CG1-CG1 3.97Å; V865-I885 HydrophobicContact CG2-CD1 3.92Å; V865-I885 HydrophobicContact CG2-CG1 4.28Å; R882-I885 PolarHBondContact O-N 2.71Å; R882-I885 VanDerWaalsContact O-N 3.13Å; S883-I885 VanDerWaalsContact C-N 3.33Å; S883-I885 PolarHBondContact O-N 2.77Å; I885-K890 HydrophobicContact CG2-CD 4.3Å; I885-K890 HydrophobicContact CG2-CG 3.89Å
886	T	89.8	Confident	92.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.163	C	C	.	.			trans	-93.4	159.9	175.7	64.6	0	0	0	0	112.3	I300 L304 F884 Q888 L889 K890	I300-T886 HydrophobicContact CD1-CG2 4.16Å; I300-T886 HydrophobicContact CG2-CG2 3.85Å; L304-T886 HydrophobicContact CD2-CG2 4.32Å; L304-T886 WeakPolarHBondContact CD2-OG1 3.35Å; F884-T886 PolarHBondContact O-N 3.37Å; F884-T886 VanDerWaalsContact O-N 3.14Å; T886-Q888 VanDerWaalsContact C-N 3.33Å; T886-Q888 PolarHBondContact O-N 3.05Å; T886-L889 HydrophobicContact CG2-CD1 4.49Å; T886-L889 PolarHBondContact O-N 2.8Å; T886-L889 WeakPolarHBondContact OG1-CB 3.41Å; T886-L889 VanDerWaalsContact OG1-CG 3.28Å; T886-L889 WeakPolarHBondContact OG1-CG 3.42Å; T886-L889 PolarHBondContact OG1-N 3.44Å; T886-K890 WeakPolarHBondContact O-CG 3.42Å; T886-K890 PolarHBondContact O-N 2.96Å
887	P	90.1	Very high	91.9	Very high	79 Å²	79	33.3 Å²	33.3	51%	0.513	17%	0.174	S	C	.	.	H	α-helix	trans	-58.7	-39	172.7	-24.7	35.7	0	0	0	113.7	K890 T891	P887-K890 WeakPolarHBondContact O-CB 3.48Å; P887-K890 PolarHBondContact O-N 2.9Å; P887-T891 PolarHBondContact O-N 3.34Å; P887-T891 VanDerWaalsContact O-N 3.16Å; P887-T891 PolarHBondContact O-OG1 3.28Å
888	Q	90.3	Very high	91.7	Very high	104 Å²	104	36.1 Å²	36.1	49%	0.486	20%	0.198	S	C	.	.	H	α-helix	trans	-63.5	-42.4	177.5	-64.6	101.3	-43.1	0	0	112.2	L304 T886 K890 T891 M892	L304-Q888 HydrophobicContact CD2-CB 3.76Å; L304-Q888 HydrophobicContact CD2-CG 4.46Å; T886-Q888 VanDerWaalsContact C-N 3.33Å; T886-Q888 PolarHBondContact O-N 3.05Å; Q888-K890 VanDerWaalsContact C-N 3.3Å; Q888-K890 PolarHBondContact O-N 3.09Å; Q888-T891 PolarHBondContact O-N 2.9Å; Q888-M892 WeakPolarHBondContact O-CB 3.13Å; Q888-M892 PolarHBondContact O-N 2.83Å
889	L	90.4	Very high	91.4	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-38.1	176.6	-74.1	171.2	0	0	0	111.8	I303 L304 A307 T886 M892 I893	I303-L889 HydrophobicContact CG2-CD1 4.42Å; L304-L889 HydrophobicContact CD2-CG 4.11Å; A307-L889 HydrophobicContact CB-CD2 3.68Å; T886-L889 HydrophobicContact CG2-CD1 4.49Å; T886-L889 PolarHBondContact O-N 2.8Å; T886-L889 WeakPolarHBondContact OG1-CB 3.41Å; T886-L889 VanDerWaalsContact OG1-CG 3.28Å; T886-L889 WeakPolarHBondContact OG1-CG 3.42Å; T886-L889 PolarHBondContact OG1-N 3.44Å; L889-M892 HydrophobicContact CD2-CE 4.15Å; L889-M892 WeakPolarHBondContact O-CB 3.48Å; L889-M892 PolarHBondContact O-N 2.93Å; L889-I893 VanDerWaalsContact O-CG1 3.31Å; L889-I893 WeakPolarHBondContact O-CG1 3.24Å; L889-I893 PolarHBondContact O-N 3.32Å
890	K	92.3	Very high	91.3	Very high	93 Å²	93	41.2 Å²	41.2	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-52.3	174.2	-60.2	-176.8	-173	-179.9	0	111.3	Y446 I885 T886 P887 Q888 M892 I893 S894	Y446-K890 HydrophobicContact CD2-CG 4.41Å; Y446-K890 HydrophobicContact CE2-CB 4.32Å; Y446-K890 HydrophobicContact CE2-CD 4.06Å; Y446-K890 HydrophobicContact CE2-CG 3.6Å; I885-K890 HydrophobicContact CG2-CD 4.3Å; I885-K890 HydrophobicContact CG2-CG 3.89Å; T886-K890 WeakPolarHBondContact O-CG 3.42Å; T886-K890 PolarHBondContact O-N 2.96Å; P887-K890 WeakPolarHBondContact O-CB 3.48Å; P887-K890 PolarHBondContact O-N 2.9Å; Q888-K890 VanDerWaalsContact C-N 3.3Å; Q888-K890 PolarHBondContact O-N 3.09Å; K890-M892 VanDerWaalsContact C-N 3.27Å; K890-M892 PolarHBondContact O-N 2.82Å; K890-I893 PolarHBondContact O-N 2.86Å; K890-S894 PolarHBondContact O-N 3.21Å; K890-S894 PolarHBondContact O-OG 2.79Å
891	T	93.8	Very high	91.2	Very high	82 Å²	82	44 Å²	44	50%	0.503	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-40.1	177.3	-55.4	0	0	0	0	111.4	P887 Q888 N895	P887-T891 PolarHBondContact O-N 3.34Å; P887-T891 VanDerWaalsContact O-N 3.16Å; P887-T891 PolarHBondContact O-OG1 3.28Å; Q888-T891 PolarHBondContact O-N 2.9Å; T891-N895 WeakPolarHBondContact O-CB 3.27Å; T891-N895 PolarHBondContact O-N 2.92Å; T891-N895 PolarHBondContact O-ND2 3.15Å; T891-N895 PolarHBondContact O-OD1 2.7Å
892	M	91.9	Very high	91.1	Very high	19 Å²	19	46.6 Å²	46.6	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-51.2	175.6	-157.6	-163.3	-65.2	0	0	110.7	A307 E308 K311 M861 Q888 L889 K890 N895 H896	A307-M892 HydrophobicContact CB-CE 4.37Å; E308-M892 HydrophobicContact CG-CE 3.75Å; K311-M892 HydrophobicContact CB-SD 4.49Å; K311-M892 HydrophobicContact CD-CG 4.37Å; K311-M892 HydrophobicContact CD-SD 4.06Å; M861-M892 HydrophobicContact CE-CB 4.06Å; M861-M892 HydrophobicContact CE-CG 3.55Å; M861-M892 HydrophobicContact CE-SD 3.58Å; M861-M892 VanDerWaalsContact CE-SD 3.58Å; Q888-M892 WeakPolarHBondContact O-CB 3.13Å; Q888-M892 PolarHBondContact O-N 2.83Å; L889-M892 HydrophobicContact CD2-CE 4.15Å; L889-M892 WeakPolarHBondContact O-CB 3.48Å; L889-M892 PolarHBondContact O-N 2.93Å; K890-M892 VanDerWaalsContact C-N 3.27Å; K890-M892 PolarHBondContact O-N 2.82Å; M892-N895 PolarHBondContact O-N 3.36Å; M892-H896 PolarHBondContact O-N 2.79Å; M892-H896 PolarHBondContact O-ND1 3.4Å
893	I	92.6	Very high	91	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-49	-179.7	-65.6	162.8	0	0	0	111.2	Y446 M861 L889 K890 N895 H896 Q897	Y446-I893 HydrophobicContact CD1-CD1 3.65Å; Y446-I893 HydrophobicContact CE1-CB 4.14Å; Y446-I893 HydrophobicContact CE1-CD1 3.64Å; Y446-I893 HydrophobicContact CE1-CG1 4.5Å; Y446-I893 HydrophobicContact CE1-CG2 3.86Å; M861-I893 HydrophobicContact CE-CG1 4.04Å; M861-I893 HydrophobicContact CG-CG1 4.12Å; M861-I893 WeakPolarHBondContact O-CD1 3.41Å; M861-I893 HydrophobicContact SD-CG1 4.36Å; L889-I893 VanDerWaalsContact O-CG1 3.31Å; L889-I893 WeakPolarHBondContact O-CG1 3.24Å; L889-I893 PolarHBondContact O-N 3.32Å; K890-I893 PolarHBondContact O-N 2.86Å; I893-N895 VanDerWaalsContact C-N 3.28Å; I893-N895 PolarHBondContact O-N 3.37Å; I893-H896 PolarHBondContact O-N 3.09Å; I893-H896 VanDerWaalsContact O-N 3.11Å; I893-Q897 HydrophobicContact CG2-CG 4.16Å; I893-Q897 WeakPolarHBondContact O-CG 3.49Å; I893-Q897 PolarHBondContact O-N 3.38Å
894	S	92.6	Very high	90.6	Very high	53 Å²	53	52.3 Å²	52.3	37%	0.371	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-37.1	179.7	-60.7	0	0	0	0	112.8	K890 Q897 A898	K890-S894 PolarHBondContact O-N 3.21Å; K890-S894 PolarHBondContact O-OG 2.79Å; S894-Q897 PolarHBondContact O-N 3.21Å; S894-A898 WeakPolarHBondContact O-CB 3.35Å; S894-A898 PolarHBondContact O-N 3.49Å
895	N	93	Very high	89.7	Confident	90 Å²	90	55.6 Å²	55.6	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-40.5	175.8	-73.2	-8.2	0	0	0	112.2	T891 M892 I893 A898 Q899	T891-N895 WeakPolarHBondContact O-CB 3.27Å; T891-N895 PolarHBondContact O-N 2.92Å; T891-N895 PolarHBondContact O-ND2 3.15Å; T891-N895 PolarHBondContact O-OD1 2.7Å; M892-N895 PolarHBondContact O-N 3.36Å; I893-N895 VanDerWaalsContact C-N 3.28Å; I893-N895 PolarHBondContact O-N 3.37Å; N895-A898 PolarHBondContact O-N 3.15Å; N895-Q899 VanDerWaalsContact O-CG 3.3Å; N895-Q899 WeakPolarHBondContact O-CG 3.46Å; N895-Q899 PolarHBondContact O-N 3.32Å
896	H	91	Very high	88.1	Confident	22 Å²	22	57.8 Å²	57.8	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-76	-33.4	178.7	-65.5	76.2	0	0	0	112	K311 M861 M892 I893 A898 Q899 F900	K311-H896 PolarHBondContact NZ-NE2 2.81Å; M861-H896 HydrophobicContact CE-CB 4.5Å; M861-H896 HydrophobicContact SD-CB 3.96Å; M892-H896 PolarHBondContact O-N 2.79Å; M892-H896 PolarHBondContact O-ND1 3.4Å; I893-H896 PolarHBondContact O-N 3.09Å; I893-H896 VanDerWaalsContact O-N 3.11Å; H896-A898 VanDerWaalsContact C-N 3.31Å; H896-A898 PolarHBondContact O-N 3.34Å; H896-Q899 PolarHBondContact CD2-OE1 3.3Å; H896-Q899 PolarHBondContact O-N 3.24Å; H896-F900 VanDerWaalsContact O-CB 3.28Å; H896-F900 WeakPolarHBondContact O-CB 3.32Å; H896-F900 PolarHBondContact O-N 3.3Å
897	Q	92.7	Very high	86.4	Confident	52 Å²	52	62.1 Å²	62.1	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-40.8	169.5	-71.8	173.1	-24.2	0	0	111.5	G405 I893 S894 S901	G405-Q897 WeakPolarHBondContact O-CA 3.22Å; I893-Q897 HydrophobicContact CG2-CG 4.16Å; I893-Q897 WeakPolarHBondContact O-CG 3.49Å; I893-Q897 PolarHBondContact O-N 3.38Å; S894-Q897 PolarHBondContact O-N 3.21Å; Q897-S901 VanDerWaalsContact O-CB 3.28Å; Q897-S901 WeakPolarHBondContact O-CB 3.42Å; Q897-S901 PolarHBondContact O-N 3.03Å; Q897-S901 PolarHBondContact O-OG 3.07Å
898	A	93	Very high	84.3	Confident	61 Å²	61	64 Å²	64	50%	0.504	36%	0.361	S	S	.	.	H	α-helix	trans	-67	-42.7	173.9	0	0	0	0	0	112.6	S894 N895 H896 S901 A902	S894-A898 WeakPolarHBondContact O-CB 3.35Å; S894-A898 PolarHBondContact O-N 3.49Å; N895-A898 PolarHBondContact O-N 3.15Å; H896-A898 VanDerWaalsContact C-N 3.31Å; H896-A898 PolarHBondContact O-N 3.34Å; A898-S901 PolarHBondContact O-N 3.39Å; A898-A902 WeakPolarHBondContact O-CB 3.16Å; A898-A902 PolarHBondContact O-N 3.48Å
899	Q	91.4	Very high	81.7	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-47.3	175.8	-73.9	169.6	-12.5	0	0	112.3	N895 H896 S901 A902 L903	N895-Q899 VanDerWaalsContact O-CG 3.3Å; N895-Q899 WeakPolarHBondContact O-CG 3.46Å; N895-Q899 PolarHBondContact O-N 3.32Å; H896-Q899 PolarHBondContact CD2-OE1 3.3Å; H896-Q899 PolarHBondContact O-N 3.24Å; Q899-S901 VanDerWaalsContact C-N 3.34Å; Q899-S901 PolarHBondContact O-N 3.42Å; Q899-A902 PolarHBondContact O-N 3.33Å; Q899-L903 WeakPolarHBondContact O-CG 3.48Å; Q899-L903 PolarHBondContact O-N 2.93Å
900	F	91.1	Very high	79.1	Confident	16 Å²	16	70.5 Å²	70.5	7%	0.07	39%	0.387	C	S	.	.	H	α-helix	trans	-56.5	-49.3	174.4	-176.3	-79.5	0	0	0	110.5	P403 A406 P407 W478 L480 H896 A902 L903 Y904	P403-F900 HydrophobicContact CB-CE2 4.07Å; P403-F900 HydrophobicContact CG-CE2 4.43Å; A406-F900 HydrophobicContact CB-CD2 4.01Å; A406-F900 HydrophobicContact CB-CE1 4.31Å; A406-F900 HydrophobicContact CB-CE2 3.49Å; A406-F900 VanDerWaalsContact CB-CE2 3.49Å; A406-F900 HydrophobicContact CB-CZ 3.68Å; P407-F900 HydrophobicContact CG-CE1 4.49Å; W478-F900 AromaticContact CH2-CZ 3.93Å; W478-F900 HydrophobicContact CH2-CZ 3.93Å; W478-F900 HydrophobicContact CZ3-CE2 4.32Å; W478-F900 AromaticContact CZ3-CZ 3.97Å; W478-F900 HydrophobicContact CZ3-CZ 3.97Å; L480-F900 HydrophobicContact CD2-CE1 4.29Å; L480-F900 HydrophobicContact CD2-CZ 4.15Å; H896-F900 VanDerWaalsContact O-CB 3.28Å; H896-F900 WeakPolarHBondContact O-CB 3.32Å; H896-F900 PolarHBondContact O-N 3.3Å; F900-A902 VanDerWaalsContact C-N 3.32Å; F900-A902 PolarHBondContact O-N 3.01Å; F900-L903 PolarHBondContact O-N 3.28Å; F900-Y904 AromaticContact CD1-CD2 3.79Å; F900-Y904 HydrophobicContact CD1-CD2 3.79Å; F900-Y904 HydrophobicContact CD1-CE2 4.35Å; F900-Y904 AromaticContact CD2-CD2 3.95Å; F900-Y904 HydrophobicContact CD2-CD2 3.95Å; F900-Y904 AromaticContact CD2-CE2 3.66Å; F900-Y904 HydrophobicContact CD2-CE2 3.66Å; F900-Y904 AromaticContact CE1-CD2 3.53Å; F900-Y904 HydrophobicContact CE1-CD2 3.53Å; F900-Y904 HydrophobicContact CE1-CE2 4.04Å; F900-Y904 HydrophobicContact CE1-CG 4.36Å; F900-Y904 AromaticContact CE2-CD2 3.71Å; F900-Y904 HydrophobicContact CE2-CD2 3.71Å; F900-Y904 AromaticContact CE2-CE2 3.3Å; F900-Y904 HydrophobicContact CE2-CE2 3.3Å; F900-Y904 AromaticContact CG-CD2 3.97Å; F900-Y904 HydrophobicContact CG-CD2 3.97Å; F900-Y904 HydrophobicContact CG-CE2 4.16Å; F900-Y904 AromaticContact CZ-CD2 3.48Å; F900-Y904 HydrophobicContact CZ-CD2 3.48Å; F900-Y904 VanDerWaalsContact CZ-CD2 3.48Å; F900-Y904 AromaticContact CZ-CE2 3.5Å; F900-Y904 HydrophobicContact CZ-CE2 3.5Å; F900-Y904 HydrophobicContact CZ-CG 4.42Å; F900-Y904 WeakPolarHBondContact O-CD2 3.5Å; F900-Y904 PolarHBondContact O-N 2.98Å; F900-Y904 VanDerWaalsContact O-N 3.11Å
901	S	90.8	Very high	76.6	Confident	62 Å²	62	70.8 Å²	70.8	43%	0.434	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-40.2	178.1	-58.9	0	0	0	0	112.1	Q897 A898 Q899 S905	Q897-S901 VanDerWaalsContact O-CB 3.28Å; Q897-S901 WeakPolarHBondContact O-CB 3.42Å; Q897-S901 PolarHBondContact O-N 3.03Å; Q897-S901 PolarHBondContact O-OG 3.07Å; A898-S901 PolarHBondContact O-N 3.39Å; Q899-S901 VanDerWaalsContact C-N 3.34Å; Q899-S901 PolarHBondContact O-N 3.42Å; S901-S905 WeakPolarHBondContact O-CB 3.39Å; S901-S905 PolarHBondContact O-N 3.35Å; S901-S905 PolarHBondContact O-OG 3.04Å
902	A	90.6	Very high	73.7	Confident	59 Å²	59	69.9 Å²	69.9	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-42.6	177.5	0	0	0	0	0	112.7	A898 Q899 F900 S905 A906	A898-A902 WeakPolarHBondContact O-CB 3.16Å; A898-A902 PolarHBondContact O-N 3.48Å; Q899-A902 PolarHBondContact O-N 3.33Å; F900-A902 VanDerWaalsContact C-N 3.32Å; F900-A902 PolarHBondContact O-N 3.01Å; A902-S905 PolarHBondContact O-OG 3.22Å; A902-A906 WeakPolarHBondContact O-CB 3.29Å; A902-A906 PolarHBondContact O-N 2.99Å
903	L	86.9	Confident	70.8	Confident	112 Å²	112	74.2 Å²	74.2	59%	0.586	43%	0.427	S	S	*	.	H	α-helix	trans	-62.6	-53.3	178.2	-70.7	168	0	0	0	111.6	Q899 F900 A906 Q907	Q899-L903 WeakPolarHBondContact O-CG 3.48Å; Q899-L903 PolarHBondContact O-N 2.93Å; F900-L903 PolarHBondContact O-N 3.28Å; L903-A906 WeakPolarHBondContact O-CB 3.5Å; L903-A906 PolarHBondContact O-N 3.46Å; L903-Q907 PolarHBondContact O-N 3.38Å
904	Y	80.4	Confident	67.9	Low	74 Å²	74	79.5 Å²	79.5	29%	0.29	45%	0.452	S	S	.	.	H	α-helix	trans	-80.3	-27.4	-173.2	-67.7	-71.6	0	0	0	113.6	L480 F900 A906 Q907 N908	L480-Y904 HydrophobicContact CD1-CD1 3.52Å; L480-Y904 HydrophobicContact CD1-CE1 4.16Å; L480-Y904 HydrophobicContact CD1-CG 3.9Å; L480-Y904 HydrophobicContact CG-CD1 4.38Å; F900-Y904 AromaticContact CD1-CD2 3.79Å; F900-Y904 HydrophobicContact CD1-CD2 3.79Å; F900-Y904 HydrophobicContact CD1-CE2 4.35Å; F900-Y904 AromaticContact CD2-CD2 3.95Å; F900-Y904 HydrophobicContact CD2-CD2 3.95Å; F900-Y904 AromaticContact CD2-CE2 3.66Å; F900-Y904 HydrophobicContact CD2-CE2 3.66Å; F900-Y904 AromaticContact CE1-CD2 3.53Å; F900-Y904 HydrophobicContact CE1-CD2 3.53Å; F900-Y904 HydrophobicContact CE1-CE2 4.04Å; F900-Y904 HydrophobicContact CE1-CG 4.36Å; F900-Y904 AromaticContact CE2-CD2 3.71Å; F900-Y904 HydrophobicContact CE2-CD2 3.71Å; F900-Y904 AromaticContact CE2-CE2 3.3Å; F900-Y904 HydrophobicContact CE2-CE2 3.3Å; F900-Y904 AromaticContact CG-CD2 3.97Å; F900-Y904 HydrophobicContact CG-CD2 3.97Å; F900-Y904 HydrophobicContact CG-CE2 4.16Å; F900-Y904 AromaticContact CZ-CD2 3.48Å; F900-Y904 HydrophobicContact CZ-CD2 3.48Å; F900-Y904 VanDerWaalsContact CZ-CD2 3.48Å; F900-Y904 AromaticContact CZ-CE2 3.5Å; F900-Y904 HydrophobicContact CZ-CE2 3.5Å; F900-Y904 HydrophobicContact CZ-CG 4.42Å; F900-Y904 WeakPolarHBondContact O-CD2 3.5Å; F900-Y904 PolarHBondContact O-N 2.98Å; F900-Y904 VanDerWaalsContact O-N 3.11Å; Y904-A906 VanDerWaalsContact C-N 3.28Å; Y904-A906 PolarHBondContact O-N 3.49Å; Y904-Q907 VanDerWaalsContact CD1-OE1 3.32Å; Y904-Q907 PolarHBondContact O-N 3.22Å; Y904-N908 PolarHBondContact O-N 2.99Å; Y904-N908 VanDerWaalsContact O-N 3.07Å
905	S	69.7	Low	65.2	Low	68 Å²	68	83.1 Å²	83.1	48%	0.476	47%	0.472	S	S	.	.	H	α-helix	trans	-70.3	-23.8	169.6	65	0	0	0	0	113.3	S901 A902	S901-S905 WeakPolarHBondContact O-CB 3.39Å; S901-S905 PolarHBondContact O-N 3.35Å; S901-S905 PolarHBondContact O-OG 3.04Å; A902-S905 PolarHBondContact O-OG 3.22Å
906	A	55.3	Low	62.3	Low	57 Å²	57	83.6 Å²	83.6	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-73.9	-42	170.1	0	0	0	0	0	111.8	A902 L903 Y904 N908 R909 S910	A902-A906 WeakPolarHBondContact O-CB 3.29Å; A902-A906 PolarHBondContact O-N 2.99Å; L903-A906 WeakPolarHBondContact O-CB 3.5Å; L903-A906 PolarHBondContact O-N 3.46Å; Y904-A906 VanDerWaalsContact C-N 3.28Å; Y904-A906 PolarHBondContact O-N 3.49Å; A906-N908 PolarHBondContact O-N 3.02Å; A906-R909 WeakPolarHBondContact O-CA 3.48Å; A906-R909 WeakPolarHBondContact O-CB 3.36Å; A906-R909 PolarHBondContact O-N 3.33Å; A906-S910 PolarHBondContact O-N 3.26Å; A906-S910 VanDerWaalsContact O-N 3.07Å
907	Q	54.1	Low	59.5	Low	93 Å²	93	86.1 Å²	86.1	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-40.3	176.7	-70.8	-173.7	-85.2	0	0	112.6	L903 Y904 R909 S910 D911	L903-Q907 PolarHBondContact O-N 3.38Å; Y904-Q907 VanDerWaalsContact CD1-OE1 3.32Å; Y904-Q907 PolarHBondContact O-N 3.22Å; Q907-R909 PolarHBondContact O-N 3.46Å; Q907-S910 WeakPolarHBondContact CA-OG 3.1Å; Q907-S910 PolarHBondContact O-N 3.32Å; Q907-S910 PolarHBondContact O-OG 3.02Å; Q907-D911 PolarHBondContact O-N 3.27Å
908	N	45.5	Very low	56.6	Low	119 Å²	119	91.5 Å²	91.5	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-10.5	172.2	-73.3	-0.6	0	0	0	113.7	Y904 A906	Y904-N908 PolarHBondContact O-N 2.99Å; Y904-N908 VanDerWaalsContact O-N 3.07Å; A906-N908 PolarHBondContact O-N 3.02Å
909	R	35.8	Very low	53.7	Low	202 Å²	202	97.8 Å²	97.8	76%	0.762	56%	0.557	S	S	*	*	H	α-helix	trans	-98.7	-29.1	169.5	-69.7	-179.3	173.3	-168.8	-1.2	113.9	A906 Q907 V913	A906-R909 WeakPolarHBondContact O-CA 3.48Å; A906-R909 WeakPolarHBondContact O-CB 3.36Å; A906-R909 PolarHBondContact O-N 3.33Å; Q907-R909 PolarHBondContact O-N 3.46Å; R909-V913 WeakPolarHBondContact O-CG2 3.22Å
910	S	37.1	Very low	50.8	Low	42 Å²	42	104.2 Å²	104.2	29%	0.294	58%	0.577	S	S	.	*	H	α-helix	trans	-70.7	-44.8	174.4	52.6	0	0	0	0	111.7	A906 Q907 G912 V913 Q914	A906-S910 PolarHBondContact O-N 3.26Å; A906-S910 VanDerWaalsContact O-N 3.07Å; Q907-S910 WeakPolarHBondContact CA-OG 3.1Å; Q907-S910 PolarHBondContact O-N 3.32Å; Q907-S910 PolarHBondContact O-OG 3.02Å; S910-G912 VanDerWaalsContact C-N 3.25Å; S910-G912 PolarHBondContact O-N 3.19Å; S910-V913 PolarHBondContact O-N 3.45Å; S910-Q914 PolarHBondContact O-N 2.99Å
911	D	39	Very low	48.1	Very low	99 Å²	99	112.5 Å²	112.5	53%	0.529	62%	0.616	S	S	.	*	H	α-helix	trans	-72.1	-26	-171.5	-65	18.6	0	0	0	111.2	Q907 V913	Q907-D911 PolarHBondContact O-N 3.27Å; D911-V913 VanDerWaalsContact C-N 3.25Å; D911-V913 PolarHBondContact O-N 2.99Å
912	G	33.1	Very low	45.3	Very low	62 Å²	62	118.6 Å²	118.6	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-74.5	-3.3	169	0	0	0	0	0	115.5	S910	S910-G912 VanDerWaalsContact C-N 3.25Å; S910-G912 PolarHBondContact O-N 3.19Å
913	V	31.6	Very low	42.7	Very low	110 Å²	110	125.4 Å²	125.4	67%	0.667	66%	0.659	S	S	*	*	H	α-helix	trans	-123.6	-31.8	-177.9	177.2	0	0	0	0	112.8	R909 S910 D911 T915	R909-V913 WeakPolarHBondContact O-CG2 3.22Å; S910-V913 PolarHBondContact O-N 3.45Å; D911-V913 VanDerWaalsContact C-N 3.25Å; D911-V913 PolarHBondContact O-N 2.99Å; V913-T915 VanDerWaalsContact C-N 3.31Å; V913-T915 PolarHBondContact O-N 3.02Å
914	Q	31.8	Very low	39.8	Very low	114 Å²	114	125.5 Å²	125.5	53%	0.533	67%	0.669	S	S	.	*	H	α-helix	trans	-77.2	-9	-176.6	-69.5	-171	-75.6	0	0	115	S910 A916	S910-Q914 PolarHBondContact O-N 2.99Å; Q914-A916 PolarHBondContact O-N 3.46Å; Q914-A916 VanDerWaalsContact O-N 3.16Å
915	T	34.8	Very low	37.6	Very low	129 Å²	129	130.2 Å²	130.2	79%	0.791	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	0.9	-178.2	38.8	0	0	0	0	115.6	V913	V913-T915 VanDerWaalsContact C-N 3.31Å; V913-T915 PolarHBondContact O-N 3.02Å
916	A	32.7	Very low	35.8	Very low	99 Å²	99	132.6 Å²	132.6	82%	0.818	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	-8.9	-176.2	0	0	0	0	0	116.2	Q914	Q914-A916 PolarHBondContact O-N 3.46Å; Q914-A916 VanDerWaalsContact O-N 3.16Å
917	A	31.4	Very low	34.6	Very low	75 Å²	75	138.9 Å²	138.9	62%	0.62	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-39.7	-169.4	0	0	0	0	0	114.9	Q919	A917-Q919 PolarHBondContact O-N 2.72Å
918	E	32.8	Very low	33.4	Very low	165 Å²	165	140.6 Å²	140.6	77%	0.771	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	41.2	-166.7	-62.7	-172.3	163.1	0	0	114.5
919	Q	31.3	Very low	32.6	Very low	193 Å²	193	140.9 Å²	140.9	90%	0.902	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	22.3	170.8	-70.8	-160.8	-12.3	0	0	114	A917	A917-Q919 PolarHBondContact O-N 2.72Å
920	R	31	Very low	32.3	Very low	238 Å²	238	136.2 Å²	136.2	90%	0.898	76%	0.763	S	S	*	*	S	Bend	trans	-134	29.4	-180	-89.1	-166.2	173.8	-172.1	-0.5	116.5
921	E	34.3	Very low	32.2	Very low	190 Å²	190	140.3 Å²	140.3	89%	0.888	79%	0.786	S	S	*	*	S	Bend	trans	-152.6	73.9	165.8	-130.5	163.7	-133.7	0	0	114.3
922	Q	32.4	Very low	32	Very low	191 Å²	191	150.8 Å²	150.8	89%	0.893	82%	0.818	S	S	*	*			trans	-157.8	52.1	166.3	-130.9	160	97.3	0	0	114.7
923	H	35.1	Very low	32	Very low	201 Å²	201	155.3 Å²	155.3	93%	0.931	83%	0.827	S	S	*	*			trans	-138.5	70.7	171	-99.7	-60.1	0	0	0	112.3
924	S	27.4	Very low	32	Very low	114 Å²	114	157.6 Å²	157.6	80%	0.797	84%	0.836	S	S	*	*			trans	-153.5	90.3	170.4	43.5	0	0	0	0	111.5	P926	S924-P926 WeakPolarHBondContact O-CD 3.14Å
925	L	33.5	Very low	32	Very low	174 Å²	174	160.1 Å²	160.1	91%	0.911	85%	0.852	S	S	*	*			trans	-81.9	124.2	167.4	-76.7	167.3	0	0	0	110
926	P	31.9	Very low	31.8	Very low	118 Å²	118	161.9 Å²	161.9	77%	0.766	86%	0.856	S	S	*	*			trans	-86.3	111.1	162.3	31.9	-28.7	0	0	0	110	S924 C928	S924-P926 WeakPolarHBondContact O-CD 3.14Å; P926-C928 PolarHBondContact O-N 2.76Å
927	H	30.5	Very low	31.8	Very low	189 Å²	189	165.8 Å²	165.8	88%	0.875	86%	0.858	S	S	*	*			trans	-64.7	128.8	158.5	-97.9	-65.5	0	0	0	108.9
928	C	27.6	Very low	31.8	Very low	128 Å²	128	171.9 Å²	171.9	87%	0.865	87%	0.874	S	S	*	*			trans	-125.9	119.4	162.9	-110.7	0	0	0	0	109.4	P926	P926-C928 PolarHBondContact O-N 2.76Å
929	T	30.5	Very low	31.7	Very low	126 Å²	126	172.4 Å²	172.4	77%	0.773	88%	0.882	S	S	*	*			trans	-82.7	132.5	-178.1	46.1	0	0	0	0	111.5
930	A	28.6	Very low	31.8	Very low	104 Å²	104	170.8 Å²	170.8	86%	0.86	88%	0.88	S	S	*	*			trans	-90.6	114.1	168.4	0	0	0	0	0	110.4
931	T	35.9	Very low	31.8	Very low	127 Å²	127	165.2 Å²	165.2	78%	0.779	88%	0.879	S	S	*	*			trans	-143.5	94.7	170.1	53.2	0	0	0	0	110.9
932	R	34.5	Very low	31.6	Very low	320 Å²	320	162.9 Å²	162.9	100%	1.208	88%	0.878	S	S	*	*				-164.4	0	100.8	-147	171.3	-170	172.5	3.2	111.5

Retrieved 932 of 932 residues in 268.2 ms (Link to these results)

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