A0A077Z6J8_TRITR Loading...

Beta-lactamase-like protein 2 homolog

AlphaFold DB , UniProt , Accession A0A077Z6J8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 977 aa.

						>A0A077Z6J8_TRITR|A0A077Z6J8
MSESPSLMSGDGKVFNQYAVNTSTPYGPQLPNYLRRSVAMACGPPGSLPLHMKASLTAPSMSTPSKSDQSSSSREVRIRNGTIKLSADLERKINYNVLCEFLETLKSITLNELSFSEEEEDGEQKEQEQDVEEENEADKIEMVTATKASTESVQVEEAHTDQKQVTPSQKAADMLSKAILQHQPISLNDFAFLIDQIDASINLDEQSIMQMFDLLIEKNGVASEYGELVKHCLQKETRKKGGKLSFGAFRTIIAYFRNLSKKQAHLILACCSSRTRDNLMTAAQKPLPYVALVSAAVLRLLGRNPGPFTLQGSNIYLVGTGKRRILVDTGVANDADYLNDLKQLIVNSNIEIFTIICTHWHLDHTGGVKDVLKVLQNIGQPKPSVMKYSITDKSEDVNWPETLKFEYEHLRDGQEVMTTGATLRVVHTPGHTSDHVALHFLEENSLFSGDCILGHGSTAVSNMKSYMSSLNRLKGLNPVKLYPGHGPVVEDGPDRILRYIAHRNEREQAVLAALQSSHSGLTAKQIVDMIYKNLSAEFHFAAERNVLTHLRKLQDSVDMVFMSVLPHLPLRIKPKRTWKSSCAHVVRSEHLSLKAVQGNLFGLVSGFGKLAVSAGSEEPPSCSNGRLSLFLEEEIDPDEFLELSKSMRPNFSSLYAVYFHFRSKNWIVAQGTNYGVDYVLYPNLPSIVHSSYLVVLKPSPTRKSRCPLVFRNLTCYSRLATTISKVSVIYHIGKMRRVKCECLRWTFHISSWNPTASNWKHSLECIQPIEVERIGAMQCKQDVLAAVAGRLMLRKAICFGTGLSWRELTLCREPNGKPCLSGNQHIQYAFNIAHHGDFVVLAAGAYGMCGVDIMRLQIPKVRKTVGEYLELMKSNFSPNEWATFWSPNLDDSGRLRLFYRYWCLKESYLKAVGEGIHCELSRLDFQLGKFAESTHIQTDTQLRIDGRTLDDVYFEESSISDDHVACVCYSVSCLCFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	32.7	Very low	242 Å²	242	141.7 Å²	141.7	100%	1.192	84%	0.841	S	S	*	*				0	120.7	0	-63.4	169.8	177.4	0	0	107.7
2	S	33.2	Very low	32.5	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	83%	0.83	S	S	*	*			cis	171.9	136.7	-23.9	30.3	0	0	0	0	106.2
3	E	33.5	Very low	32.1	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	84%	0.835	S	S	*	*			cis	-155.9	158.3	-2	-108.5	163.2	-179.2	0	0	108.4
4	S	34.7	Very low	31.9	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	83%	0.834	S	S	*	*			trans	-86.5	163.6	164.9	-49.8	0	0	0	0	109.4
5	P	38.9	Very low	31.5	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	83%	0.832	S	S	*	*				-146	161.6	90.8	37.3	-21.3	0	0	0	116.1
6	S	31.3	Very low	31.2	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	83%	0.831	S	S	*	*			trans	-76.4	165.9	164.9	50.7	0	0	0	0	112.3
7	L	30.5	Very low	30.8	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	83%	0.826	S	S	*	*				171.5	123.1	119.8	-92.4	161.2	0	0	0	112.2
8	M	31.7	Very low	30.6	Very low	168 Å²	168	150.1 Å²	150.1	83%	0.828	83%	0.832	S	S	*	*				166.9	134.8	125.1	-92.1	-66.7	116.5	0	0	111
9	S	28.8	Very low	30.3	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	82%	0.823	S	S	*	*			trans	-98	148.1	178.4	50.5	0	0	0	0	111.7
10	G	31.3	Very low	30.2	Very low	78 Å²	78	145.1 Å²	145.1	80%	0.804	82%	0.818	S	S	*	*			trans	-156.8	104	171.6	0	0	0	0	0	112.4
11	D	28.8	Very low	30	Very low	178 Å²	178	145.4 Å²	145.4	95%	0.952	82%	0.818	S	S	*	*			trans	-69.2	137.8	172.5	-86.7	-67.5	0	0	0	111.7
12	G	30.4	Very low	29.5	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	80%	0.8	S	S	*	*			trans	-154.3	73.1	-173.9	0	0	0	0	0	114.1	V14	G12-V14 PolarHBondContact O-N 3.13Å
13	K	27.2	Very low	29.2	Very low	207 Å²	207	140.7 Å²	140.7	90%	0.9	80%	0.804	S	S	*	*			trans	-69.7	113.7	171	-68.6	176.7	-179.5	172.9	0	110.8
14	V	29.2	Very low	29	Very low	136 Å²	136	137.9 Å²	137.9	82%	0.824	80%	0.799	S	S	*	*			trans	-132.2	93.8	165.1	-171.9	0	0	0	0	111.8	G12	G12-V14 PolarHBondContact O-N 3.13Å
15	F	25.8	Very low	28.8	Very low	181 Å²	181	137.6 Å²	137.6	79%	0.794	80%	0.795	S	S	*	*			trans	24.8	128.7	144	-81.8	-94.9	0	0	0	122.2	Q17	F15-Q17 PolarHBondContact O-N 3.3Å
16	N	26.6	Very low	28.1	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	80%	0.8	S	S	*	*			trans	-53.4	125.5	138.2	-80.2	-26.6	0	0	0	110.3
17	Q	25.6	Very low	28.2	Very low	158 Å²	158	141.3 Å²	141.3	74%	0.738	80%	0.801	S	S	*	*			trans	177.3	123.8	132.5	-100.7	168.4	16.7	0	0	112.1	F15	F15-Q17 PolarHBondContact O-N 3.3Å
18	Y	26.6	Very low	28.3	Very low	237 Å²	237	140.5 Å²	140.5	93%	0.929	80%	0.804	S	S	*	*			trans	-121.9	69.6	147.4	-92.9	-71	0	0	0	108.8
19	A	24.1	Very low	28	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	81%	0.806	S	S	*	*			trans	-89.3	130.3	159.6	0	0	0	0	0	108
20	V	28.6	Very low	28	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	80%	0.801	S	S	*	*			trans	-126.3	109.3	171.3	-179.1	0	0	0	0	108.9
21	N	27.2	Very low	28.1	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	79%	0.788	S	S	*	*			trans	55.1	100	167	-64.5	-6.6	0	0	0	119.3
22	T	26.4	Very low	28.3	Very low	133 Å²	133	140 Å²	140	82%	0.816	78%	0.775	S	S	*	*			trans	-90.6	156.1	149.6	48.7	0	0	0	0	111.3
23	S	26.8	Very low	28.5	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	78%	0.775	S	S	*	*			trans	69.7	147.7	-178.9	81.3	0	0	0	0	114.2
24	T	28.4	Very low	28.7	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	76%	0.761	S	S	*	*			cis	-126.2	-171.8	20.8	28.8	0	0	0	0	112
25	P	29.9	Very low	28.8	Very low	107 Å²	107	144.8 Å²	144.8	70%	0.695	76%	0.761	S	S	*	*			trans	-92.1	-155.4	-156.2	40.6	-38.8	0	0	0	115.2
26	Y	25.4	Very low	29	Very low	234 Å²	234	146.9 Å²	146.9	92%	0.918	76%	0.764	S	S	*	*			trans	81.7	117.3	-167.3	-58.4	-80.2	0	0	0	113.9
27	G	32.9	Very low	29	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	76%	0.761	S	S	*	*			trans	-105.3	166	-168.4	0	0	0	0	0	114.7
28	P	31.5	Very low	29.2	Very low	130 Å²	130	144.4 Å²	144.4	84%	0.844	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-80.4	136.8	177.9	32.4	-33.4	0	0	0	111.8
29	Q	26.5	Very low	29.2	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64	142.4	163.3	-65.1	-179.1	0.4	0	0	109.7	P31	Q29-P31 WeakPolarHBondContact O-CD 3.12Å
30	L	28.1	Very low	29.3	Very low	135 Å²	135	142.8 Å²	142.8	71%	0.707	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.4	125.7	-179.2	-150.3	79	0	0	0	110.2	N32 L34	L30-N32 PolarHBondContact O-N 2.75Å; L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.38Å
31	P	33.5	Very low	29.2	Very low	83 Å²	83	141.4 Å²	141.4	54%	0.539	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-57.9	137.9	-178.5	-28.8	36.8	0	0	0	113.4	Q29 Y33	Q29-P31 WeakPolarHBondContact O-CD 3.12Å; P31-Y33 HydrophobicContact CB-CD1 3.84Å; P31-Y33 HydrophobicContact CB-CE1 3.99Å; P31-Y33 PolarHBondContact O-N 2.68Å
32	N	33.3	Very low	29.3	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-64.4	-1.7	-166.9	-82.8	-59.3	0	0	0	116.7	L30 L34	L30-N32 PolarHBondContact O-N 2.75Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 3.44Å
33	Y	35.1	Very low	29.3	Very low	175 Å²	175	137.4 Å²	137.4	69%	0.686	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-71.7	-22.6	-177	74.6	-95	0	0	0	113.8	P31 R35	P31-Y33 HydrophobicContact CB-CD1 3.84Å; P31-Y33 HydrophobicContact CB-CE1 3.99Å; P31-Y33 PolarHBondContact O-N 2.68Å; Y33-R35 PolarHBondContact O-N 2.71Å; Y33-R35 VanDerWaalsContact O-N 3.07Å
34	L	30.6	Very low	29.6	Very low	118 Å²	118	138.6 Å²	138.6	62%	0.618	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-72.4	6.3	179.6	-86.3	165.4	0	0	0	115.2	L30 N32	L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.38Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 3.44Å
35	R	32	Very low	29.8	Very low	218 Å²	218	138.4 Å²	138.4	82%	0.823	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-97.5	7.2	179.8	-84.1	-174.1	169.6	-175.7	-2.2	115.6	Y33	Y33-R35 PolarHBondContact O-N 2.71Å; Y33-R35 VanDerWaalsContact O-N 3.07Å
36	R	29.9	Very low	29.7	Very low	225 Å²	225	136.3 Å²	136.3	85%	0.849	78%	0.777	S	S	*	*	S	Bend	trans	-123.6	4	-169.8	-78.3	-173.3	170.4	176.7	-2.8	118
37	S	27.3	Very low	29.8	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	77%	0.773	S	S	*	*	S	Bend	trans	-117.5	16.3	-170.7	-49.2	0	0	0	0	115.8
38	V	28.2	Very low	29.5	Very low	152 Å²	152	135.1 Å²	135.1	92%	0.921	78%	0.778	S	S	*	*	S	Bend	trans	-133.3	53	175.1	-165	0	0	0	0	109.8
39	A	27.3	Very low	29.7	Very low	85 Å²	85	134 Å²	134	70%	0.702	77%	0.771	S	S	*	*			trans	-154.7	78.7	-179.2	0	0	0	0	0	110.6
40	M	27	Very low	29.7	Very low	199 Å²	199	133 Å²	133	98%	0.98	77%	0.771	S	S	*	*	S	Bend	trans	-166.7	33.7	169.4	-96.7	-107.2	-77.1	0	0	111.8
41	A	26.3	Very low	29.6	Very low	89 Å²	89	134.6 Å²	134.6	74%	0.736	77%	0.774	S	S	*	*	S	Bend	trans	-150.6	138.8	170.9	0	0	0	0	0	109.2
42	C	28.6	Very low	29.2	Very low	137 Å²	137	139.9 Å²	139.9	93%	0.926	79%	0.794	S	S	*	*	S	Bend	trans	66	141.5	-169	-57.2	0	0	0	0	115.1
43	G	26.7	Very low	28.7	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	81%	0.805	S	S	*	*			trans	-90	-176.2	-173.2	0	0	0	0	0	114.9
44	P	34	Very low	28.3	Very low	133 Å²	133	140.2 Å²	140.2	86%	0.864	81%	0.811	S	S	*	*			trans	-89.8	137.5	-170.4	34.3	-34.1	0	0	0	114.4
45	P	32.3	Very low	28	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	82%	0.816	S	S	*	*			trans	-111.5	150.2	143.9	0.9	20.3	0	0	0	110.6
46	G	26.8	Very low	27.7	Very low	63 Å²	63	136.6 Å²	136.6	65%	0.649	82%	0.816	S	S	*	*			trans	-119	177.2	176.3	0	0	0	0	0	113
47	S	28.9	Very low	27.5	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	82%	0.816	S	S	*	*			trans	62.2	146.9	178.2	63.3	0	0	0	0	116.4
48	L	26.2	Very low	27.8	Very low	160 Å²	160	131.6 Å²	131.6	84%	0.838	82%	0.816	S	S	*	*			cis	-146.7	160.8	-13.7	-138.2	90.1	0	0	0	107.3
49	P	35.7	Very low	27.9	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	81%	0.813	S	S	*	*			trans	-100.4	157.1	-178.9	37.4	-30	0	0	0	113.1
50	L	25.6	Very low	28	Very low	164 Å²	164	131.7 Å²	131.7	86%	0.859	82%	0.815	S	S	*	*			trans	-169.4	160.9	143.8	-105.7	155.3	0	0	0	114.7
51	H	25.5	Very low	28.1	Very low	168 Å²	168	130.5 Å²	130.5	78%	0.778	81%	0.809	S	S	*	*			trans	-56.4	155.6	-170.3	-72.3	-159.9	0	0	0	118.4
52	M	25.3	Very low	28.2	Very low	193 Å²	193	131.7 Å²	131.7	95%	0.951	81%	0.812	S	S	*	*				-165.3	167.9	104.1	-102.9	-166.1	-179	0	0	114.5
53	K	24.5	Very low	28.4	Very low	211 Å²	211	131.7 Å²	131.7	92%	0.917	81%	0.808	S	S	*	*			trans	-127.9	136.5	-178	-70.7	177.3	176.1	177	0	111.5
54	A	25.9	Very low	28.6	Very low	99 Å²	99	134.7 Å²	134.7	82%	0.818	82%	0.816	S	S	*	*			trans	-165.1	127.1	145.7	0	0	0	0	0	106.6
55	S	24.7	Very low	28.3	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	81%	0.813	S	S	*	*			cis	98.3	104	46.9	-173	0	0	0	0	112
56	L	25.3	Very low	28.3	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	82%	0.817	S	S	*	*			trans	30.6	130.4	135.1	-56.2	164.1	0	0	0	117.3
57	T	26.2	Very low	28.4	Very low	137 Å²	137	139.3 Å²	139.3	84%	0.84	82%	0.818	S	S	*	*				-160.7	170.8	54.1	44.7	0	0	0	0	112.8
58	A	33	Very low	28.3	Very low	93 Å²	93	140.8 Å²	140.8	77%	0.769	82%	0.816	S	S	*	*			trans	-120.1	149	163.2	0	0	0	0	0	110.6
59	P	30.7	Very low	28.4	Very low	133 Å²	133	143 Å²	143	86%	0.864	82%	0.822	S	S	*	*			trans	-107.4	177.5	156.2	35.3	-25.6	0	0	0	111.6
60	S	27.8	Very low	28.1	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	82%	0.821	S	S	*	*			trans	-134.7	168.7	-161.6	67.1	0	0	0	0	114.3
61	M	30.8	Very low	28.3	Very low	173 Å²	173	140.9 Å²	140.9	85%	0.852	82%	0.824	S	S	*	*			trans	59.5	113.7	155.4	-71.6	-71	-179.5	0	0	119.5
62	S	26.8	Very low	28.6	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	82%	0.816	S	S	*	*				-172.2	148.6	116.8	37.3	0	0	0	0	111.9
63	T	33.7	Very low	29.4	Very low	137 Å²	137	130.8 Å²	130.8	84%	0.84	79%	0.791	S	S	*	*			trans	-112.9	124.1	175.7	50	0	0	0	0	110.9
64	P	30.8	Very low	30.5	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	77%	0.772	S	S	*	*			trans	-82.9	166	162.1	-13.7	31.4	0	0	0	112.6
65	S	26.9	Very low	31.6	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	76%	0.755	S	S	*	*			trans	-95.6	177.2	-169.9	50.9	0	0	0	0	114.7	S67	S65-S67 PolarHBondContact O-N 2.62Å
66	K	33.7	Very low	32.7	Very low	208 Å²	208	123 Å²	123	90%	0.904	73%	0.725	S	S	*	*			trans	-66.6	112.4	175.8	-61.3	170.8	178.4	175.6	0	112.3
67	S	28.3	Very low	33.5	Very low	96 Å²	96	126 Å²	126	67%	0.671	73%	0.725	S	S	*	*			trans	-176.4	107.5	144.4	51.2	0	0	0	0	111	S65	S65-S67 PolarHBondContact O-N 2.62Å
68	D	27	Very low	34.5	Very low	151 Å²	151	122.6 Å²	122.6	81%	0.807	70%	0.701	S	S	*	*				164.5	133.4	121.6	-84.5	-9.4	0	0	0	112.4
69	Q	28.5	Very low	34.8	Very low	206 Å²	206	126.2 Å²	126.2	96%	0.963	70%	0.695	S	S	*	*			trans	-95.7	96.1	171.4	-70	177.9	-26.8	0	0	108.8
70	S	28.5	Very low	35.4	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	69%	0.694	S	S	*	*			trans	-136.4	130.9	166.5	64.2	0	0	0	0	111.6	S72	S70-S72 PolarHBondContact O-N 2.94Å
71	S	30.4	Very low	36.3	Very low	130 Å²	130	124 Å²	124	91%	0.909	68%	0.676	S	S	*	*			trans	-82.9	91.8	-175.7	53.6	0	0	0	0	111.2
72	S	32.3	Very low	37.1	Very low	89 Å²	89	119.2 Å²	119.2	62%	0.622	66%	0.656	S	S	*	*			trans	-100	98.1	169.4	46.2	0	0	0	0	110.4	S70 R74	S70-S72 PolarHBondContact O-N 2.94Å; S72-R74 PolarHBondContact O-N 3.36Å; S72-R74 VanDerWaalsContact O-N 3.13Å
73	S	41.9	Very low	38.1	Very low	60 Å²	60	114.2 Å²	114.2	42%	0.42	62%	0.621	S	S	.	*			trans	-62.9	112.6	172.6	59.6	0	0	0	0	109.5	K84	S73-K84 WeakPolarHBondContact OG-CE 3.43Å; S73-K84 PolarHBondContact OG-NZ 3.09Å
74	R	47	Very low	39	Very low	137 Å²	137	112.8 Å²	112.8	52%	0.517	60%	0.603	S	S	.	*			trans	-71.7	138.5	179.8	-66.1	-176.4	172.5	-160.6	-2.7	110.8	S72 Y95	S72-R74 PolarHBondContact O-N 3.36Å; S72-R74 VanDerWaalsContact O-N 3.13Å; R74-Y95 HydrophobicContact CB-CD2 4.43Å; R74-Y95 HydrophobicContact CB-CE2 3.54Å; R74-Y95 HydrophobicContact CG-CE2 4.33Å
75	E	49.8	Very low	39.8	Very low	99 Å²	99	107.4 Å²	107.4	46%	0.463	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.9	120.4	-169.2	-96.2	-178.5	-150.3	0	0	110	T82 K84	E75-T82 HydrophobicContact CB-CG2 3.58Å; E75-T82 HydrophobicContact CG-CG2 3.77Å; E75-K84 HydrophobicContact CG-CG 3.81Å; E75-K84 WeakPolarHBondContact OE1-CE 3.4Å; E75-K84 IonicContact OE1-NZ 2.65Å; E75-K84 PolarHBondContact OE1-NZ 2.87Å
76	V	48.2	Very low	41	Very low	13 Å²	13	104.5 Å²	104.5	8%	0.079	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.9	176.2	-169.2	0	0	0	0	109.3	T82 I83 L85 Y95 L102	V76-T82 WeakPolarHBondContact O-CA 3.41Å; V76-T82 WeakPolarHBondContact O-CG2 3.45Å; V76-I83 PolarHBondContact N-O 2.79Å; V76-I83 PolarHBondContact O-N 3.49Å; V76-L85 HydrophobicContact CG2-CD1 4.26Å; V76-L85 HydrophobicContact CG2-CG 4.48Å; V76-Y95 HydrophobicContact CG2-CE2 4.29Å; V76-L102 HydrophobicContact CB-CD1 4.47Å; V76-L102 HydrophobicContact CG1-CD1 3.72Å
77	R	42.1	Very low	41.8	Very low	221 Å²	221	97.6 Å²	97.6	83%	0.834	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.3	178.9	-74.9	-178.7	172.2	178.8	-2.9	111.4	T82	R77-T82 HydrophobicContact CG-CG2 4.02Å
78	I	46.7	Very low	42.7	Very low	65 Å²	65	96.5 Å²	96.5	33%	0.333	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	169.1	169.7	57.4	161.3	0	0	0	110	N80 G81 I83	I78-N80 PolarHBondContact O-N 2.71Å; I78-G81 WeakPolarHBondContact CG1-O 3.25Å; I78-G81 PolarHBondContact N-O 2.69Å; I78-G81 PolarHBondContact O-N 3.02Å; I78-G81 VanDerWaalsContact O-N 3.11Å; I78-G81 VanDerWaalsContact O-O 3.04Å; I78-I83 HydrophobicContact CD1-CD1 4.1Å; I78-I83 HydrophobicContact CD1-CG1 4.19Å; I78-I83 HydrophobicContact CG1-CG1 4.4Å
79	R	39.7	Very low	43.6	Very low	170 Å²	170	90.5 Å²	90.5	64%	0.642	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25	-172.9	-160.9	171.3	-175.1	165	-0.9	114.6
80	N	43.1	Very low	44.5	Very low	156 Å²	156	84 Å²	84	83%	0.834	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	17	-177.8	-65.8	3.1	0	0	0	114.3	I78	I78-N80 PolarHBondContact O-N 2.71Å
81	G	47.2	Very low	45.4	Very low	37 Å²	37	88.4 Å²	88.4	38%	0.381	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-159.4	175	0	0	0	0	0	115.1	I78	I78-G81 WeakPolarHBondContact CG1-O 3.25Å; I78-G81 PolarHBondContact N-O 2.69Å; I78-G81 PolarHBondContact O-N 3.02Å; I78-G81 VanDerWaalsContact O-N 3.11Å; I78-G81 VanDerWaalsContact O-O 3.04Å
82	T	46.7	Very low	46.1	Very low	72 Å²	72	88.1 Å²	88.1	44%	0.442	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.9	-177.2	-22.1	0	0	0	0	111.6	E75 V76 R77	E75-T82 HydrophobicContact CB-CG2 3.58Å; E75-T82 HydrophobicContact CG-CG2 3.77Å; V76-T82 WeakPolarHBondContact O-CA 3.41Å; V76-T82 WeakPolarHBondContact O-CG2 3.45Å; R77-T82 HydrophobicContact CG-CG2 4.02Å
83	I	48.4	Very low	46.7	Very low	11 Å²	11	85.5 Å²	85.5	6%	0.056	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.5	175.1	-58.6	-174.7	0	0	0	108.3	V76 I78 L85 I179 L180	V76-I83 PolarHBondContact N-O 2.79Å; V76-I83 PolarHBondContact O-N 3.49Å; I78-I83 HydrophobicContact CD1-CD1 4.1Å; I78-I83 HydrophobicContact CD1-CG1 4.19Å; I78-I83 HydrophobicContact CG1-CG1 4.4Å; I83-L85 HydrophobicContact CG2-CD2 4.05Å; I83-I179 HydrophobicContact CG2-CG2 4.47Å; I83-L180 HydrophobicContact CG1-CD1 4.3Å; I83-L180 HydrophobicContact CG2-CD1 4.21Å; I83-L180 HydrophobicContact CG2-CD2 3.98Å; I83-L180 HydrophobicContact CG2-CG 4.1Å
84	K	51.5	Low	47.4	Very low	107 Å²	107	85.4 Å²	85.4	47%	0.465	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125	163.4	-75.7	-165.8	175.6	-159.6	0	109.6	S73 E75	S73-K84 WeakPolarHBondContact OG-CE 3.43Å; S73-K84 PolarHBondContact OG-NZ 3.09Å; E75-K84 HydrophobicContact CG-CG 3.81Å; E75-K84 WeakPolarHBondContact OE1-CE 3.4Å; E75-K84 IonicContact OE1-NZ 2.65Å; E75-K84 PolarHBondContact OE1-NZ 2.87Å
85	L	49.1	Very low	47.5	Very low	15 Å²	15	81.3 Å²	81.3	8%	0.079	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-81.6	145.4	171.4	-54.8	177.9	0	0	0	109.4	V76 I83 L89 E90 Y95 L98 I179	V76-L85 HydrophobicContact CG2-CD1 4.26Å; V76-L85 HydrophobicContact CG2-CG 4.48Å; I83-L85 HydrophobicContact CG2-CD2 4.05Å; L85-L89 HydrophobicContact CD2-CD2 3.94Å; L85-E90 HydrophobicContact CB-CG 4.06Å; L85-E90 HydrophobicContact CD1-CG 4.33Å; L85-Y95 HydrophobicContact CD1-CD2 3.61Å; L85-Y95 HydrophobicContact CD1-CE2 3.71Å; L85-L98 HydrophobicContact CD1-CD2 3.89Å; L85-L98 HydrophobicContact CD2-CD2 3.71Å; L85-L98 HydrophobicContact CG-CD2 4.48Å; L85-I179 HydrophobicContact CD2-CG2 4.4Å
86	S	52.1	Low	47.6	Very low	54 Å²	54	81.6 Å²	81.6	38%	0.378	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-81	150.6	169	72.9	0	0	0	0	110	D88 L89 E90	S86-D88 PolarHBondContact O-N 2.84Å; S86-L89 WeakPolarHBondContact O-CA 3.33Å; S86-L89 WeakPolarHBondContact O-CB 3.08Å; S86-L89 PolarHBondContact O-N 2.9Å; S86-L89 PolarHBondContact OG-N 3.01Å; S86-E90 PolarHBondContact O-N 3.13Å; S86-E90 VanDerWaalsContact O-N 3.07Å
87	A	49.8	Very low	47.7	Very low	64 Å²	64	81.7 Å²	81.7	53%	0.529	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-8.9	174.1	0	0	0	0	0	113.4	R91	A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.25Å; A87-R91 PolarHBondContact O-NE 3.1Å
88	D	47.6	Very low	48.4	Very low	73 Å²	73	71.9 Å²	71.9	39%	0.39	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-27.3	170.5	-118.7	56.4	0	0	0	113	S86 R91 K92	S86-D88 PolarHBondContact O-N 2.84Å; D88-R91 IonicContact OD1-CZ 3.87Å; D88-R91 IonicContact OD1-NE 2.72Å; D88-R91 IonicContact OD1-NH2 3.33Å; D88-R91 PolarHBondContact OD1-NH2 3.25Å; D88-K92 VanDerWaalsContact O-CD 3.3Å; D88-K92 WeakPolarHBondContact O-CD 3.24Å; D88-K92 VanDerWaalsContact O-CG 3.3Å; D88-K92 WeakPolarHBondContact O-CG 3.31Å; D88-K92 IonicContact OD2-NZ 2.67Å; D88-K92 PolarHBondContact OD2-NZ 2.82Å
89	L	45.4	Very low	48.8	Very low	25 Å²	25	70.3 Å²	70.3	13%	0.131	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-43.8	172.8	-139.7	88.5	0	0	0	111.2	L85 S86 R91 K92 I93 L98 I179	L85-L89 HydrophobicContact CD2-CD2 3.94Å; S86-L89 WeakPolarHBondContact O-CA 3.33Å; S86-L89 WeakPolarHBondContact O-CB 3.08Å; S86-L89 PolarHBondContact O-N 2.9Å; S86-L89 PolarHBondContact OG-N 3.01Å; L89-R91 PolarHBondContact O-N 2.83Å; L89-K92 PolarHBondContact O-N 2.74Å; L89-I93 HydrophobicContact CD2-CD1 4.29Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 PolarHBondContact O-N 3.44Å; L89-L98 HydrophobicContact CD2-CD2 4.47Å; L89-I179 HydrophobicContact CD2-CG2 3.74Å
90	E	46.8	Very low	49.5	Very low	70 Å²	70	67.1 Å²	67.1	33%	0.327	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	174.9	-67.3	-173.7	130.5	0	0	112.9	L85 S86	L85-E90 HydrophobicContact CB-CG 4.06Å; L85-E90 HydrophobicContact CD1-CG 4.33Å; S86-E90 PolarHBondContact O-N 3.13Å; S86-E90 VanDerWaalsContact O-N 3.07Å
91	R	48.9	Very low	50.1	Low	188 Å²	188	61.8 Å²	61.8	71%	0.709	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.1	173.5	-76.3	-172.7	-70.5	-172.8	1.8	114.4	A87 D88 L89	A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.25Å; A87-R91 PolarHBondContact O-NE 3.1Å; D88-R91 IonicContact OD1-CZ 3.87Å; D88-R91 IonicContact OD1-NE 2.72Å; D88-R91 IonicContact OD1-NH2 3.33Å; D88-R91 PolarHBondContact OD1-NH2 3.25Å; L89-R91 PolarHBondContact O-N 2.83Å
92	K	43.9	Very low	50.5	Low	125 Å²	125	61.1 Å²	61.1	54%	0.543	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-23.5	-174.9	-71.2	170.7	-172.5	158.6	0	113.5	D88 L89 Q210	D88-K92 VanDerWaalsContact O-CD 3.3Å; D88-K92 WeakPolarHBondContact O-CD 3.24Å; D88-K92 VanDerWaalsContact O-CG 3.3Å; D88-K92 WeakPolarHBondContact O-CG 3.31Å; D88-K92 IonicContact OD2-NZ 2.67Å; D88-K92 PolarHBondContact OD2-NZ 2.82Å; L89-K92 PolarHBondContact O-N 2.74Å; K92-Q210 PolarHBondContact O-NE2 3.17Å
93	I	45.6	Very low	51	Low	33 Å²	33	62.7 Å²	62.7	17%	0.169	31%	0.311	C	S	.	.	S	Bend	trans	-129.6	133	-179.1	-52.1	-179.8	0	0	0	108.6	L89 Y95 L98 L214	L89-I93 HydrophobicContact CD2-CD1 4.29Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 PolarHBondContact O-N 3.44Å; I93-Y95 PolarHBondContact O-N 2.7Å; I93-Y95 VanDerWaalsContact O-N 3.11Å; I93-L98 HydrophobicContact CG2-CB 4.16Å; I93-L214 HydrophobicContact CD1-CD1 4.02Å; I93-L214 HydrophobicContact CG1-CD1 4.16Å
94	N	55.1	Low	51.2	Low	58 Å²	58	62.8 Å²	62.8	31%	0.31	31%	0.312	S	S	.	.			trans	-61.2	113.5	172.2	-179.3	-9.1	0	0	0	110.5	N96 V97 L98	N94-N96 PolarHBondContact O-N 2.87Å; N94-N96 PolarHBondContact OD1-N 3.15Å; N94-V97 HydrophobicContact CB-CB 4.1Å; N94-V97 HydrophobicContact CB-CG2 3.81Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.41Å; N94-V97 WeakPolarHBondContact O-CB 3.4Å; N94-V97 PolarHBondContact O-N 2.94Å; N94-L98 PolarHBondContact O-N 2.79Å
95	Y	50.1	Low	51.1	Low	51 Å²	51	58.3 Å²	58.3	20%	0.2	29%	0.293	C	S	.	.	H	α-helix	trans	-49.9	-43.1	-178	180	-86.6	0	0	0	113	R74 V76 L85 I93 V97 L98 C99	R74-Y95 HydrophobicContact CB-CD2 4.43Å; R74-Y95 HydrophobicContact CB-CE2 3.54Å; R74-Y95 HydrophobicContact CG-CE2 4.33Å; V76-Y95 HydrophobicContact CG2-CE2 4.29Å; L85-Y95 HydrophobicContact CD1-CD2 3.61Å; L85-Y95 HydrophobicContact CD1-CE2 3.71Å; I93-Y95 PolarHBondContact O-N 2.7Å; I93-Y95 VanDerWaalsContact O-N 3.11Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-V97 PolarHBondContact O-N 2.83Å; Y95-L98 PolarHBondContact O-N 2.82Å; Y95-C99 VanDerWaalsContact CE1-SG 3.53Å; Y95-C99 PolarHBondContact O-N 2.89Å; Y95-C99 PolarHBondContact O-SG 2.83Å; Y95-C99 VanDerWaalsContact O-SG 3.37Å
96	N	51.8	Low	51.4	Low	105 Å²	105	62.2 Å²	62.2	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-65.9	-35	-178	-67	-5.6	0	0	0	111.9	N94 C99 E100	N94-N96 PolarHBondContact O-N 2.87Å; N94-N96 PolarHBondContact OD1-N 3.15Å; N96-C99 WeakPolarHBondContact O-CB 3.42Å; N96-C99 PolarHBondContact O-N 2.81Å; N96-E100 PolarHBondContact O-N 3.1Å
97	V	51	Low	51.3	Low	16 Å²	16	61.9 Å²	61.9	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-75.2	-37.5	-179.2	176.3	0	0	0	0	110.4	N94 Y95 C99 E100 F101 L203 S207	N94-V97 HydrophobicContact CB-CB 4.1Å; N94-V97 HydrophobicContact CB-CG2 3.81Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.41Å; N94-V97 WeakPolarHBondContact O-CB 3.4Å; N94-V97 PolarHBondContact O-N 2.94Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-V97 PolarHBondContact O-N 2.83Å; V97-C99 VanDerWaalsContact C-N 3.28Å; V97-C99 PolarHBondContact O-N 3.12Å; V97-E100 PolarHBondContact O-N 3.41Å; V97-F101 WeakPolarHBondContact O-CB 3.43Å; V97-F101 PolarHBondContact O-N 3.11Å; V97-L203 HydrophobicContact CG1-CD2 3.86Å; V97-S207 WeakPolarHBondContact CG2-OG 3.45Å
98	L	55.3	Low	51	Low	14 Å²	14	60.2 Å²	60.2	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-37	170.5	-168.7	67	0	0	0	111.1	L85 L89 I93 N94 Y95 L102 I179	L85-L98 HydrophobicContact CD1-CD2 3.89Å; L85-L98 HydrophobicContact CD2-CD2 3.71Å; L85-L98 HydrophobicContact CG-CD2 4.48Å; L89-L98 HydrophobicContact CD2-CD2 4.47Å; I93-L98 HydrophobicContact CG2-CB 4.16Å; N94-L98 PolarHBondContact O-N 2.79Å; Y95-L98 PolarHBondContact O-N 2.82Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 WeakPolarHBondContact O-CB 3.25Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.32Å; L98-I179 HydrophobicContact CD1-CD1 4.17Å
99	C	55.4	Low	50.7	Low	32 Å²	32	58 Å²	58	22%	0.216	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-44.6	173.2	-71.5	0	0	0	0	113.2	Y95 N96 V97 F101 L102 E103	Y95-C99 VanDerWaalsContact CE1-SG 3.53Å; Y95-C99 PolarHBondContact O-N 2.89Å; Y95-C99 PolarHBondContact O-SG 2.83Å; Y95-C99 VanDerWaalsContact O-SG 3.37Å; N96-C99 WeakPolarHBondContact O-CB 3.42Å; N96-C99 PolarHBondContact O-N 2.81Å; V97-C99 VanDerWaalsContact C-N 3.28Å; V97-C99 PolarHBondContact O-N 3.12Å; C99-F101 VanDerWaalsContact C-N 3.29Å; C99-F101 PolarHBondContact O-N 2.97Å; C99-L102 PolarHBondContact O-N 3.43Å; C99-E103 WeakPolarHBondContact O-CB 3.44Å; C99-E103 WeakPolarHBondContact O-CG 3.41Å; C99-E103 PolarHBondContact O-N 2.9Å
100	E	55.4	Low	50.6	Low	104 Å²	104	61.4 Å²	61.4	49%	0.486	30%	0.296	S	S	.	.	H	α-helix	trans	-58.6	-41.3	173.3	-77.5	-175.8	135.3	0	0	111.5	N96 V97 T104	N96-E100 PolarHBondContact O-N 3.1Å; V97-E100 PolarHBondContact O-N 3.41Å; E100-T104 WeakPolarHBondContact O-CB 3.45Å; E100-T104 PolarHBondContact O-N 2.81Å; E100-T104 PolarHBondContact O-OG1 2.83Å
101	F	54.1	Low	50.3	Low	43 Å²	43	63.9 Å²	63.9	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-35.5	176.9	175	-85.4	0	0	0	112.9	V97 C99 T104 L105 L175 I197	V97-F101 WeakPolarHBondContact O-CB 3.43Å; V97-F101 PolarHBondContact O-N 3.11Å; C99-F101 VanDerWaalsContact C-N 3.29Å; C99-F101 PolarHBondContact O-N 2.97Å; F101-T104 WeakPolarHBondContact O-CB 3.47Å; F101-L105 HydrophobicContact CD1-CD1 4.07Å; F101-L105 HydrophobicContact CE1-CD1 3.7Å; F101-L105 HydrophobicContact CZ-CD1 4.21Å; F101-L105 PolarHBondContact O-N 3.27Å; F101-L175 HydrophobicContact CE1-CD1 3.5Å; F101-L175 VanDerWaalsContact CE1-CD1 3.5Å; F101-L175 HydrophobicContact CE1-CD2 3.59Å; F101-L175 HydrophobicContact CE1-CG 4.18Å; F101-L175 HydrophobicContact CZ-CD1 3.92Å; F101-L175 HydrophobicContact CZ-CD2 3.99Å; F101-I197 HydrophobicContact CD2-CD1 4.07Å; F101-I197 HydrophobicContact CE2-CD1 3.39Å; F101-I197 HydrophobicContact CZ-CD1 4.08Å
102	L	57.2	Low	49.9	Very low	24 Å²	24	59.6 Å²	59.6	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-79.9	-34.7	175.6	-70.5	167.8	0	0	0	112.7	V76 L98 C99 T104 L105 K106	V76-L102 HydrophobicContact CB-CD1 4.47Å; V76-L102 HydrophobicContact CG1-CD1 3.72Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 WeakPolarHBondContact O-CB 3.25Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.32Å; C99-L102 PolarHBondContact O-N 3.43Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 2.84Å; L102-L105 HydrophobicContact CD2-CD1 4.42Å; L102-L105 PolarHBondContact O-N 2.8Å; L102-K106 WeakPolarHBondContact O-CB 3.21Å; L102-K106 PolarHBondContact O-N 3.36Å; L102-K106 VanDerWaalsContact O-N 3.09Å
103	E	57.4	Low	49.2	Very low	104 Å²	104	59.2 Å²	59.2	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-31.2	168.8	-79.5	-71.9	136.2	0	0	112.1	C99 K106 S107	C99-E103 WeakPolarHBondContact O-CB 3.44Å; C99-E103 WeakPolarHBondContact O-CG 3.41Å; C99-E103 PolarHBondContact O-N 2.9Å; E103-K106 WeakPolarHBondContact O-CB 3.31Å; E103-K106 WeakPolarHBondContact OE1-CD 3.5Å; E103-K106 IonicContact OE1-NZ 2.83Å; E103-K106 PolarHBondContact OE1-NZ 2.69Å; E103-K106 WeakPolarHBondContact OE2-CD 3.29Å; E103-K106 IonicContact OE2-NZ 3.41Å; E103-K106 PolarHBondContact OE2-NZ 2.82Å; E103-S107 PolarHBondContact O-N 2.88Å
104	T	52.7	Low	48.4	Very low	14 Å²	14	60.9 Å²	60.9	9%	0.086	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-52.8	172	-67.7	0	0	0	0	112.2	E100 F101 L102 K106 S107 I108 I197 I201	E100-T104 WeakPolarHBondContact O-CB 3.45Å; E100-T104 PolarHBondContact O-N 2.81Å; E100-T104 PolarHBondContact O-OG1 2.83Å; F101-T104 WeakPolarHBondContact O-CB 3.47Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 2.84Å; T104-K106 PolarHBondContact O-N 2.66Å; T104-S107 PolarHBondContact O-N 3.41Å; T104-S107 PolarHBondContact O-OG 3.4Å; T104-I108 HydrophobicContact CG2-CD1 3.94Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 2.99Å; T104-I197 HydrophobicContact CG2-CG2 4.14Å; T104-I201 HydrophobicContact CG2-CD1 3.18Å; T104-I201 WeakPolarHBondContact OG1-CD1 3.48Å
105	L	48.8	Very low	47.1	Very low	12 Å²	12	68.2 Å²	68.2	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-34.3	179.2	-73.8	158	0	0	0	110.8	F101 L102 I108 T109 A171 L175 Q196	F101-L105 HydrophobicContact CD1-CD1 4.07Å; F101-L105 HydrophobicContact CE1-CD1 3.7Å; F101-L105 HydrophobicContact CZ-CD1 4.21Å; F101-L105 PolarHBondContact O-N 3.27Å; L102-L105 HydrophobicContact CD2-CD1 4.42Å; L102-L105 PolarHBondContact O-N 2.8Å; L105-I108 PolarHBondContact O-N 2.91Å; L105-T109 WeakPolarHBondContact O-CG2 3.5Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 PolarHBondContact O-OG1 2.99Å; L105-A171 HydrophobicContact CD2-CB 4.48Å; L105-L175 HydrophobicContact CD1-CD1 3.29Å; L105-Q196 HydrophobicContact CD2-CB 4.21Å; L105-Q196 VanDerWaalsContact CD2-O 3.28Å; L105-Q196 WeakPolarHBondContact CD2-O 3.38Å
106	K	54.2	Low	46	Very low	97 Å²	97	70.5 Å²	70.5	42%	0.422	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-45.9	170.7	169.8	-162.1	175.1	-163	0	112.7	L102 E103 T104 I108 T109 L110	L102-K106 WeakPolarHBondContact O-CB 3.21Å; L102-K106 PolarHBondContact O-N 3.36Å; L102-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 WeakPolarHBondContact O-CB 3.31Å; E103-K106 WeakPolarHBondContact OE1-CD 3.5Å; E103-K106 IonicContact OE1-NZ 2.83Å; E103-K106 PolarHBondContact OE1-NZ 2.69Å; E103-K106 WeakPolarHBondContact OE2-CD 3.29Å; E103-K106 IonicContact OE2-NZ 3.41Å; E103-K106 PolarHBondContact OE2-NZ 2.82Å; T104-K106 PolarHBondContact O-N 2.66Å; K106-I108 VanDerWaalsContact C-N 3.33Å; K106-I108 PolarHBondContact O-N 2.94Å; K106-T109 WeakPolarHBondContact CA-OG1 3.43Å; K106-T109 PolarHBondContact O-N 2.87Å; K106-T109 PolarHBondContact O-OG1 3.31Å; K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.91Å
107	S	50.5	Low	44.8	Very low	47 Å²	47	74.1 Å²	74.1	33%	0.329	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-35.8	177.8	71	0	0	0	0	112.5	E103 T104 L110 N111	E103-S107 PolarHBondContact O-N 2.88Å; T104-S107 PolarHBondContact O-N 3.41Å; T104-S107 PolarHBondContact O-OG 3.4Å; S107-L110 WeakPolarHBondContact O-CB 3.3Å; S107-L110 PolarHBondContact O-N 3.32Å; S107-L110 VanDerWaalsContact O-N 3.12Å; S107-N111 PolarHBondContact O-N 3.29Å
108	I	44.6	Very low	43.9	Very low	30 Å²	30	82.4 Å²	82.4	15%	0.154	42%	0.421	C	S	.	.	H	α-helix	trans	-67	-43.6	175.6	-63.6	166	0	0	0	110.5	T104 L105 K106 L110 N111 E112 Q196 D198	T104-I108 HydrophobicContact CG2-CD1 3.94Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 2.99Å; L105-I108 PolarHBondContact O-N 2.91Å; K106-I108 VanDerWaalsContact C-N 3.33Å; K106-I108 PolarHBondContact O-N 2.94Å; I108-L110 PolarHBondContact O-N 3.46Å; I108-L110 VanDerWaalsContact O-N 3.1Å; I108-N111 PolarHBondContact O-N 3.04Å; I108-E112 PolarHBondContact O-N 3.26Å; I108-Q196 WeakPolarHBondContact CD1-O 3.09Å; I108-D198 HydrophobicContact CD1-CB 4.41Å
109	T	41.1	Very low	42.7	Very low	25 Å²	25	90.8 Å²	90.8	15%	0.153	46%	0.46	C	S	.	.	H	α-helix	trans	-66.1	-7.2	171.6	62.3	0	0	0	0	115.4	L105 K106 L113 S168	L105-T109 WeakPolarHBondContact O-CG2 3.5Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 PolarHBondContact O-OG1 2.99Å; K106-T109 WeakPolarHBondContact CA-OG1 3.43Å; K106-T109 PolarHBondContact O-N 2.87Å; K106-T109 PolarHBondContact O-OG1 3.31Å; T109-L113 WeakPolarHBondContact O-CD1 3.22Å; T109-S168 VanDerWaalsContact CG2-CB 3.45Å
110	L	43.4	Very low	41.5	Very low	98 Å²	98	97.6 Å²	97.6	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-96.3	-43.9	174	-76.9	163.6	0	0	0	111	K106 S107 I108 E112 L113	K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.91Å; S107-L110 WeakPolarHBondContact O-CB 3.3Å; S107-L110 PolarHBondContact O-N 3.32Å; S107-L110 VanDerWaalsContact O-N 3.12Å; I108-L110 PolarHBondContact O-N 3.46Å; I108-L110 VanDerWaalsContact O-N 3.1Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.27Å; L110-L113 PolarHBondContact O-N 2.88Å
111	N	39.7	Very low	40.4	Very low	121 Å²	121	100.6 Å²	100.6	65%	0.647	51%	0.508	S	S	*	.	H	α-helix	trans	-66	-29.1	179.2	-67.2	-6.7	0	0	0	112.9	S107 I108 L113	S107-N111 PolarHBondContact O-N 3.29Å; I108-N111 PolarHBondContact O-N 3.04Å; N111-L113 PolarHBondContact O-N 2.8Å
112	E	39.9	Very low	39.3	Very low	99 Å²	99	102.5 Å²	102.5	46%	0.463	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	2.4	172.4	-67.6	-172.9	133.2	0	0	114.2	I108 L110 S168	I108-E112 PolarHBondContact O-N 3.26Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.27Å; E112-S168 WeakPolarHBondContact OE2-CB 3.08Å; E112-S168 PolarHBondContact OE2-OG 3.41Å
113	L	30.6	Very low	38.1	Very low	117 Å²	117	109.1 Å²	109.1	61%	0.613	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	15.7	-176.4	-75.2	176.8	0	0	0	114.3	T109 L110 N111	T109-L113 WeakPolarHBondContact O-CD1 3.22Å; L110-L113 PolarHBondContact O-N 2.88Å; N111-L113 PolarHBondContact O-N 2.8Å
114	S	28.5	Very low	36.9	Very low	67 Å²	67	110.6 Å²	110.6	47%	0.469	58%	0.577	S	S	.	*			trans	-135.9	111.6	175.9	57.8	0	0	0	0	111.4
115	F	27.4	Very low	35.9	Very low	212 Å²	212	116.1 Å²	116.1	93%	0.93	60%	0.6	S	S	*	*			trans	168.6	130.4	134.2	-91.9	-62.4	0	0	0	109.8
116	S	26.6	Very low	35.1	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	63%	0.625	S	S	*	*			trans	-156.3	157	177.5	54.4	0	0	0	0	110.2
117	E	27.6	Very low	34	Very low	181 Å²	181	123.8 Å²	123.8	85%	0.846	64%	0.637	S	S	*	*			trans	84.8	151	166.9	-55	175.1	149.7	0	0	118
118	E	31.9	Very low	33.2	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	65%	0.653	S	S	*	*			trans	79.2	66.1	169.1	-53.1	-167.9	167.2	0	0	120.6
119	E	29.6	Very low	32.6	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	68%	0.678	S	S	*	*				25	168.3	117.3	-69.5	-178.3	137.7	0	0	126.3
120	E	31.5	Very low	32.3	Very low	175 Å²	175	139 Å²	139	82%	0.818	70%	0.704	S	S	*	*			trans	81.9	100.8	161.4	-73.8	-174.1	177.2	0	0	123
121	D	30.5	Very low	31.8	Very low	167 Å²	167	139.5 Å²	139.5	89%	0.893	71%	0.712	S	S	*	*				52.7	142	121.8	-66.3	7.3	0	0	0	124.5
122	G	32.2	Very low	31.4	Very low	83 Å²	83	141.8 Å²	141.8	86%	0.856	72%	0.718	S	S	*	*			trans	173.8	73.2	177.7	0	0	0	0	0	115.6
123	E	31.9	Very low	30.9	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	73%	0.726	S	S	*	*			trans	-65.9	158.9	-169.8	-106	-158.2	122.7	0	0	119.7
124	Q	31.4	Very low	31.2	Very low	134 Å²	134	146.2 Å²	146.2	63%	0.626	74%	0.736	S	S	*	*			trans	71.1	155.7	146.1	-70.4	178.7	24.4	0	0	119.3
125	K	31.8	Very low	31.4	Very low	130 Å²	130	148.3 Å²	148.3	57%	0.565	74%	0.742	S	S	*	*			cis	-163.8	156.7	-0.3	-124.4	165.7	-175.3	-96	0	112.7
126	E	31.6	Very low	31.7	Very low	127 Å²	127	146.7 Å²	146.7	59%	0.593	74%	0.737	S	S	*	*			trans	57.6	156.9	143.9	-75.9	153.1	-169.3	0	0	120.3
127	Q	32.8	Very low	31.7	Very low	144 Å²	144	145.8 Å²	145.8	67%	0.673	74%	0.736	S	S	*	*			cis	-149.1	146.6	2.2	-139.3	144.5	24.6	0	0	113.1
128	E	32.7	Very low	32.1	Very low	142 Å²	142	144.3 Å²	144.3	66%	0.664	73%	0.734	S	S	*	*			trans	-0.9	169.2	139.8	-46.9	176.8	95.1	0	0	120.4
129	Q	31.2	Very low	32	Very low	144 Å²	144	143.3 Å²	143.3	67%	0.673	73%	0.726	S	S	*	*			cis	-160	-170	21.1	-147	149.8	48.5	0	0	113.6
130	D	35.8	Very low	32	Very low	134 Å²	134	140.7 Å²	140.7	72%	0.717	72%	0.717	S	S	*	*			trans	82.9	117.1	165.1	-58.8	-17.5	0	0	0	119.4
131	V	32.7	Very low	32.1	Very low	110 Å²	110	140.6 Å²	140.6	67%	0.667	72%	0.716	S	S	*	*			cis	101.5	135.9	37.2	160.1	0	0	0	0	110.5
132	E	31.8	Very low	31.9	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	71%	0.708	S	S	*	*			cis	-165.8	174.8	-10.6	-107.1	171.1	-169.1	0	0	106.2
133	E	29.6	Very low	31.7	Very low	135 Å²	135	140.9 Å²	140.9	63%	0.631	70%	0.699	S	S	*	*			cis	-155.8	-169.7	-1.3	-138	-77.9	82	0	0	107.5	N135	E133-N135 PolarHBondContact OE2-ND2 3.23Å
134	E	36.4	Very low	31.6	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	70%	0.701	S	S	*	*			trans	78.5	137.1	162	-66.3	-172.7	175.2	0	0	119.6
135	N	32.9	Very low	31.6	Very low	111 Å²	111	137.3 Å²	137.3	59%	0.594	71%	0.707	S	S	*	*			cis	-162.5	-178.9	-41.2	-126.3	-46.3	0	0	0	110.6	E133	E133-N135 PolarHBondContact OE2-ND2 3.23Å
136	E	33.5	Very low	31.6	Very low	179 Å²	179	136.7 Å²	136.7	84%	0.836	72%	0.715	S	S	*	*			trans	67.5	116.1	167.8	-115.9	67.2	-119.8	0	0	118.2
137	A	27	Very low	31.7	Very low	80 Å²	80	140.3 Å²	140.3	66%	0.661	73%	0.728	S	S	*	*			trans	-105.5	155.7	175	0	0	0	0	0	112.2
138	D	35.4	Very low	31.7	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	73%	0.729	S	S	*	*				-174	129.9	129.8	-94	-22.8	0	0	0	108.4
139	K	30.6	Very low	31.8	Very low	169 Å²	169	135.5 Å²	135.5	74%	0.735	73%	0.731	S	S	*	*			cis	86.3	124.4	45.4	-80.3	-174.4	174.4	171.6	0	115.2
140	I	27.8	Very low	31.9	Very low	136 Å²	136	134.6 Å²	134.6	70%	0.697	74%	0.736	S	S	*	*			trans	69.8	99.7	148	-58.4	165.8	0	0	0	117
141	E	34.8	Very low	31.8	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	74%	0.742	S	S	*	*				47.1	166.1	105.6	-134.7	172.2	-163.7	0	0	122.1
142	M	26.7	Very low	31.7	Very low	144 Å²	144	136.7 Å²	136.7	71%	0.709	75%	0.746	S	S	*	*			trans	79.5	111.1	155.4	-74	-179.1	55.4	0	0	122.9
143	V	28.3	Very low	31.7	Very low	112 Å²	112	135.4 Å²	135.4	68%	0.679	75%	0.749	S	S	*	*				90.2	147.7	115.2	170.7	0	0	0	0	123.1
144	T	29.5	Very low	31.7	Very low	131 Å²	131	136.5 Å²	136.5	80%	0.804	75%	0.754	S	S	*	*			trans	76.2	112.4	162.2	34.2	0	0	0	0	122.9
145	A	30.5	Very low	31.5	Very low	91 Å²	91	135 Å²	135	75%	0.752	76%	0.757	S	S	*	*				-177.7	141	108.2	0	0	0	0	0	110.2
146	T	31.8	Very low	31.4	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	76%	0.763	S	S	*	*			cis	-163.9	147.2	-7.6	13.2	0	0	0	0	110.8
147	K	33.6	Very low	31.2	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	77%	0.766	S	S	*	*			trans	66.2	145	155.9	-66.1	173.5	179.9	179.4	0	118.7
148	A	33.8	Very low	31.3	Very low	82 Å²	82	138.1 Å²	138.1	68%	0.678	77%	0.769	S	S	*	*			cis	-169.7	172.4	-11.5	0	0	0	0	0	110.8
149	S	34.8	Very low	31	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.775	S	S	*	*			trans	61.1	116.4	170.8	37	0	0	0	0	116.9
150	T	31.9	Very low	31	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	77%	0.772	S	S	*	*				63.9	138.5	71.4	66.2	0	0	0	0	113.2
151	E	34.9	Very low	31.2	Very low	181 Å²	181	139.4 Å²	139.4	85%	0.846	78%	0.783	S	S	*	*			cis	-143.7	-173.2	30.2	-142.8	136.1	-103.1	0	0	114.3
152	S	29.5	Very low	31.1	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	78%	0.784	S	S	*	*			trans	-106.8	168.4	-167.6	56.8	0	0	0	0	115.1
153	V	32.3	Very low	31.9	Very low	141 Å²	141	142.1 Å²	142.1	86%	0.855	79%	0.791	S	S	*	*			trans	-169.4	150.2	132.6	136.8	0	0	0	0	110.2
154	Q	30.1	Very low	32.5	Very low	158 Å²	158	145.7 Å²	145.7	74%	0.738	80%	0.8	S	S	*	*			trans	-93.5	157.4	-178.7	-62.3	161.4	-95.1	0	0	112.9
155	V	32.4	Very low	33.7	Very low	144 Å²	144	144.1 Å²	144.1	87%	0.873	79%	0.79	S	S	*	*			trans	-140.5	129.2	144.5	-178.5	0	0	0	0	107.9
156	E	30.6	Very low	35	Very low	154 Å²	154	142.4 Å²	142.4	72%	0.72	77%	0.77	S	S	*	*			trans	-98.5	155.7	170.5	-65	176.6	109.1	0	0	110.2
157	E	29.2	Very low	36.1	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	76%	0.756	S	S	*	*				167	170.9	113.2	-90.2	-155.2	137.5	0	0	113.4
158	A	29.2	Very low	36.9	Very low	88 Å²	88	130.2 Å²	130.2	73%	0.727	71%	0.714	S	S	*	*			trans	71	75	162	0	0	0	0	0	118.7
159	H	29.3	Very low	38	Very low	199 Å²	199	130.5 Å²	130.5	92%	0.921	70%	0.701	S	S	*	*			trans	-56.4	139.8	148.3	-92	-81.6	0	0	0	111.1
160	T	29.9	Very low	39.6	Very low	112 Å²	112	130.8 Å²	130.8	69%	0.687	69%	0.689	S	S	*	*			trans	-141.6	141.3	161.3	27.5	0	0	0	0	109.9	Q162	T160-Q162 PolarHBondContact O-N 2.9Å
161	D	31.4	Very low	40.9	Very low	172 Å²	172	124.8 Å²	124.8	92%	0.92	65%	0.653	S	S	*	*			trans	-67.3	97.6	-173.2	-66.6	-66.3	0	0	0	113.3
162	Q	32.8	Very low	41.9	Very low	175 Å²	175	118.2 Å²	118.2	82%	0.818	63%	0.629	S	S	*	*			trans	-92.2	104.6	170.7	-64.2	-167.8	11.5	0	0	110.5	T160 Q164	T160-Q162 PolarHBondContact O-N 2.9Å; Q162-Q164 PolarHBondContact O-N 2.92Å
163	K	44.9	Very low	43.5	Very low	197 Å²	197	116.8 Å²	116.8	86%	0.857	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-49.8	125.7	166.5	-76	179.6	172.9	177.1	0	109.4	V165	K163-V165 PolarHBondContact O-N 3.12Å; K163-V165 VanDerWaalsContact O-N 3.13Å
164	Q	40.4	Very low	45	Very low	188 Å²	188	111.3 Å²	111.3	88%	0.879	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.4	176.9	-76.2	-177.1	-23.5	0	0	110.3	Q162	Q162-Q164 PolarHBondContact O-N 2.92Å
165	V	53.7	Low	46.4	Very low	98 Å²	98	104.6 Å²	104.6	59%	0.594	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-79.5	118.9	176.3	-179.5	0	0	0	0	107.8	K163 Q169 K170	K163-V165 PolarHBondContact O-N 3.12Å; K163-V165 VanDerWaalsContact O-N 3.13Å; V165-Q169 HydrophobicContact CG1-CB 3.63Å; V165-K170 HydrophobicContact CG1-CB 4.17Å
166	T	57.7	Low	47.5	Very low	54 Å²	54	99.1 Å²	99.1	33%	0.331	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-65.3	156.1	-179	73.2	0	0	0	0	111.1	S168 Q169 K170	T166-S168 PolarHBondContact O-N 2.88Å; T166-Q169 WeakPolarHBondContact O-CB 3.28Å; T166-Q169 PolarHBondContact O-N 2.66Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.5Å; T166-Q169 PolarHBondContact OG1-N 3.07Å; T166-K170 PolarHBondContact O-N 3.31Å
167	P	56.1	Low	49	Very low	63 Å²	63	95.7 Å²	95.7	41%	0.409	50%	0.498	S	S	.	.	H	α-helix	trans	-51.8	-43.7	176.5	-30.5	39.3	0	0	0	112.8	K170 A171 F192	P167-K170 WeakPolarHBondContact O-CB 3.44Å; P167-K170 PolarHBondContact O-N 2.85Å; P167-A171 PolarHBondContact O-N 2.89Å; P167-F192 HydrophobicContact CB-CE2 4.22Å; P167-F192 HydrophobicContact CB-CZ 3.97Å; P167-F192 WeakPolarHBondContact O-CZ 3.47Å
168	S	51	Low	50.3	Low	1 Å²	1	87.6 Å²	87.6	1%	0.007	46%	0.464	C	S	.	.	H	α-helix	trans	-64	-38.9	175.9	-56.5	0	0	0	0	113.8	T109 E112 T166 A172 Q196	T109-S168 VanDerWaalsContact CG2-CB 3.45Å; E112-S168 WeakPolarHBondContact OE2-CB 3.08Å; E112-S168 PolarHBondContact OE2-OG 3.41Å; T166-S168 PolarHBondContact O-N 2.88Å; S168-A172 PolarHBondContact O-N 3.41Å; S168-Q196 VanDerWaalsContact N-OE1 3.11Å; S168-Q196 PolarHBondContact OG-OE1 2.76Å
169	Q	56.8	Low	51.3	Low	89 Å²	89	84.5 Å²	84.5	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-40.3	173.1	-74.5	170.8	-17.2	0	0	112	V165 T166 A172 D173	V165-Q169 HydrophobicContact CG1-CB 3.63Å; T166-Q169 WeakPolarHBondContact O-CB 3.28Å; T166-Q169 PolarHBondContact O-N 2.66Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.5Å; T166-Q169 PolarHBondContact OG1-N 3.07Å; Q169-A172 PolarHBondContact O-N 2.79Å; Q169-D173 PolarHBondContact O-N 3.12Å; Q169-D173 VanDerWaalsContact O-N 3.1Å
170	K	67.2	Low	52.3	Low	108 Å²	108	79.1 Å²	79.1	47%	0.47	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-44.1	177.7	-170.7	-177.9	175.6	-176.3	0	110.8	V165 T166 P167 A172 D173 M174 F192	V165-K170 HydrophobicContact CG1-CB 4.17Å; T166-K170 PolarHBondContact O-N 3.31Å; P167-K170 WeakPolarHBondContact O-CB 3.44Å; P167-K170 PolarHBondContact O-N 2.85Å; K170-A172 PolarHBondContact O-N 2.96Å; K170-D173 PolarHBondContact O-N 3.18Å; K170-M174 HydrophobicContact CG-SD 3.84Å; K170-M174 WeakPolarHBondContact O-CG 3.25Å; K170-M174 PolarHBondContact O-N 2.58Å; K170-F192 HydrophobicContact CB-CE1 4.05Å; K170-F192 HydrophobicContact CB-CZ 4.15Å; K170-F192 HydrophobicContact CD-CE1 4.04Å; K170-F192 HydrophobicContact CD-CZ 3.96Å; K170-F192 HydrophobicContact CG-CE1 4.07Å; K170-F192 HydrophobicContact CG-CZ 4.35Å
171	A	60.2	Low	53.4	Low	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-43.6	175.2	0	0	0	0	0	112.8	L105 P167 D173 M174 L175 F192 L193 Q196	L105-A171 HydrophobicContact CD2-CB 4.48Å; P167-A171 PolarHBondContact O-N 2.89Å; A171-D173 VanDerWaalsContact C-N 3.34Å; A171-D173 PolarHBondContact O-N 3.18Å; A171-M174 PolarHBondContact O-N 2.79Å; A171-L175 PolarHBondContact O-N 2.85Å; A171-F192 HydrophobicContact CB-CE1 4.07Å; A171-L193 HydrophobicContact CB-CD2 3.86Å; A171-L193 HydrophobicContact CB-CG 4.47Å; A171-Q196 HydrophobicContact CB-CB 4.03Å; A171-Q196 HydrophobicContact CB-CG 3.86Å
172	A	55.8	Low	54.5	Low	42 Å²	42	77.3 Å²	77.3	35%	0.347	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.8	0	0	0	0	0	112.9	S168 Q169 K170 L175 S176	S168-A172 PolarHBondContact O-N 3.41Å; Q169-A172 PolarHBondContact O-N 2.79Å; K170-A172 PolarHBondContact O-N 2.96Å; A172-L175 PolarHBondContact O-N 3.13Å; A172-S176 PolarHBondContact O-N 3.11Å
173	D	62	Low	55.3	Low	77 Å²	77	74.2 Å²	74.2	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-71.1	-36.4	177.8	-174.8	61.1	0	0	0	112.7	Q169 K170 A171 S176 K177	Q169-D173 PolarHBondContact O-N 3.12Å; Q169-D173 VanDerWaalsContact O-N 3.1Å; K170-D173 PolarHBondContact O-N 3.18Å; A171-D173 VanDerWaalsContact C-N 3.34Å; A171-D173 PolarHBondContact O-N 3.18Å; D173-S176 WeakPolarHBondContact O-CB 3.16Å; D173-S176 PolarHBondContact O-N 3.35Å; D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.48Å; D173-K177 IonicContact OD1-NZ 3.51Å; D173-K177 VanDerWaalsContact OD2-CE 3.3Å; D173-K177 WeakPolarHBondContact OD2-CE 3.45Å; D173-K177 IonicContact OD2-NZ 3.19Å; D173-K177 PolarHBondContact OD2-NZ 2.92Å
174	M	65.1	Low	55.2	Low	26 Å²	26	69.5 Å²	69.5	13%	0.128	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-41	172.6	-66.9	157	70.7	0	0	112	K170 A171 K177 A178 D189 F192 L193	K170-M174 HydrophobicContact CG-SD 3.84Å; K170-M174 WeakPolarHBondContact O-CG 3.25Å; K170-M174 PolarHBondContact O-N 2.58Å; A171-M174 PolarHBondContact O-N 2.79Å; M174-K177 PolarHBondContact O-N 3.46Å; M174-A178 WeakPolarHBondContact O-CB 3.29Å; M174-A178 PolarHBondContact O-N 3.48Å; M174-D189 HydrophobicContact CE-CB 3.39Å; M174-D189 VanDerWaalsContact CE-O 3.23Å; M174-D189 WeakPolarHBondContact CE-O 3.24Å; M174-D189 WeakPolarHBondContact CE-OD1 3.18Å; M174-F192 HydrophobicContact CE-CD1 3.82Å; M174-F192 HydrophobicContact SD-CD1 3.73Å; M174-F192 HydrophobicContact SD-CE1 3.86Å; M174-L193 HydrophobicContact CB-CD1 4.18Å; M174-L193 HydrophobicContact CE-CD1 4.38Å; M174-L193 HydrophobicContact CE-CG 4.44Å
175	L	59.5	Low	55.8	Low	17 Å²	17	62.5 Å²	62.5	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-43.6	172.7	-91	156.2	0	0	0	112.6	F101 L105 A171 A172 K177 A178 I179 L193	F101-L175 HydrophobicContact CE1-CD1 3.5Å; F101-L175 VanDerWaalsContact CE1-CD1 3.5Å; F101-L175 HydrophobicContact CE1-CD2 3.59Å; F101-L175 HydrophobicContact CE1-CG 4.18Å; F101-L175 HydrophobicContact CZ-CD1 3.92Å; F101-L175 HydrophobicContact CZ-CD2 3.99Å; L105-L175 HydrophobicContact CD1-CD1 3.29Å; A171-L175 PolarHBondContact O-N 2.85Å; A172-L175 PolarHBondContact O-N 3.13Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 3.1Å; L175-A178 PolarHBondContact O-N 3.25Å; L175-I179 HydrophobicContact CD2-CD1 3.82Å; L175-I179 VanDerWaalsContact O-CB 3.32Å; L175-I179 WeakPolarHBondContact O-CB 3.34Å; L175-I179 WeakPolarHBondContact O-CG1 3.41Å; L175-I179 PolarHBondContact O-N 3.1Å; L175-L193 HydrophobicContact CD1-CD2 3.44Å; L175-L193 VanDerWaalsContact CD1-CD2 3.44Å; L175-L193 HydrophobicContact CG-CD1 4.43Å; L175-L193 HydrophobicContact CG-CD2 3.61Å
176	S	55.3	Low	55.6	Low	29 Å²	29	60.1 Å²	60.1	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-55	-48.8	175	-172.5	0	0	0	0	111	A172 D173 I179 L180	A172-S176 PolarHBondContact O-N 3.11Å; D173-S176 WeakPolarHBondContact O-CB 3.16Å; D173-S176 PolarHBondContact O-N 3.35Å; S176-I179 PolarHBondContact O-N 2.8Å; S176-L180 WeakPolarHBondContact O-CB 3.42Å; S176-L180 PolarHBondContact O-N 2.98Å
177	K	61.6	Low	55.1	Low	82 Å²	82	60 Å²	60	36%	0.357	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-40.6	178.1	-70	165.5	179.8	165.9	0	112.9	D173 M174 L175 Q181 H182 Q183	D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.48Å; D173-K177 IonicContact OD1-NZ 3.51Å; D173-K177 VanDerWaalsContact OD2-CE 3.3Å; D173-K177 WeakPolarHBondContact OD2-CE 3.45Å; D173-K177 IonicContact OD2-NZ 3.19Å; D173-K177 PolarHBondContact OD2-NZ 2.92Å; M174-K177 PolarHBondContact O-N 3.46Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 3.1Å; K177-Q181 CarbonylContact O-C 3.56Å; K177-Q181 WeakPolarHBondContact O-CA 3.28Å; K177-Q181 VanDerWaalsContact O-CB 3.26Å; K177-Q181 WeakPolarHBondContact O-CB 3.49Å; K177-Q181 PolarHBondContact O-N 2.94Å; K177-Q181 VanDerWaalsContact O-N 3.15Å; K177-H182 PolarHBondContact O-N 3.04Å; K177-Q183 PolarHBondContact O-N 3.27Å
178	A	57.6	Low	54.7	Low	22 Å²	22	62.3 Å²	62.3	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-42.1	177.8	0	0	0	0	0	113.3	M174 L175 H182 I185	M174-A178 WeakPolarHBondContact O-CB 3.29Å; M174-A178 PolarHBondContact O-N 3.48Å; L175-A178 PolarHBondContact O-N 3.25Å; A178-H182 WeakPolarHBondContact O-CA 3.4Å; A178-I185 HydrophobicContact CB-CD1 3.51Å; A178-I185 HydrophobicContact CB-CG1 3.56Å
179	I	49.7	Very low	55	Low	24 Å²	24	65.4 Å²	65.4	12%	0.123	34%	0.344	C	S	.	.	H	α-helix	trans	-82	-50.2	-174	-70.8	172.1	0	0	0	111.7	I83 L85 L89 L98 L175 S176	I83-I179 HydrophobicContact CG2-CG2 4.47Å; L85-I179 HydrophobicContact CD2-CG2 4.4Å; L89-I179 HydrophobicContact CD2-CG2 3.74Å; L98-I179 HydrophobicContact CD1-CD1 4.17Å; L175-I179 HydrophobicContact CD2-CD1 3.82Å; L175-I179 VanDerWaalsContact O-CB 3.32Å; L175-I179 WeakPolarHBondContact O-CB 3.34Å; L175-I179 WeakPolarHBondContact O-CG1 3.41Å; L175-I179 PolarHBondContact O-N 3.1Å; S176-I179 PolarHBondContact O-N 2.8Å
180	L	49.3	Very low	54.9	Low	86 Å²	86	63.3 Å²	63.3	45%	0.45	33%	0.334	S	S	.	.	H	α-helix	trans	-87.3	-29.2	-174.7	-71.6	168.2	0	0	0	113.7	I83 S176	I83-L180 HydrophobicContact CG1-CD1 4.3Å; I83-L180 HydrophobicContact CG2-CD1 4.21Å; I83-L180 HydrophobicContact CG2-CD2 3.98Å; I83-L180 HydrophobicContact CG2-CG 4.1Å; S176-L180 WeakPolarHBondContact O-CB 3.42Å; S176-L180 PolarHBondContact O-N 2.98Å
181	Q	54.3	Low	54.2	Low	115 Å²	115	59.6 Å²	59.6	54%	0.537	32%	0.323	S	S	.	.	S	Bend	trans	-109.1	6.5	-175.9	-48.2	178.5	-6.6	0	0	112.8	K177 Q183	K177-Q181 CarbonylContact O-C 3.56Å; K177-Q181 WeakPolarHBondContact O-CA 3.28Å; K177-Q181 VanDerWaalsContact O-CB 3.26Å; K177-Q181 WeakPolarHBondContact O-CB 3.49Å; K177-Q181 PolarHBondContact O-N 2.94Å; K177-Q181 VanDerWaalsContact O-N 3.15Å; Q181-Q183 HydrophobicContact CB-CG 4.22Å; Q181-Q183 PolarHBondContact O-N 3.24Å
182	H	54	Low	54.3	Low	130 Å²	130	62.2 Å²	62.2	60%	0.602	34%	0.335	S	S	*	.			trans	53.9	15.5	-179.9	-69.5	-40.5	0	0	0	116.2	K177 A178	K177-H182 PolarHBondContact O-N 3.04Å; A178-H182 WeakPolarHBondContact O-CA 3.4Å
183	Q	49.2	Very low	54.6	Low	111 Å²	111	60.5 Å²	60.5	52%	0.519	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-67.8	145.4	-174.8	-67.1	-149.7	-18	0	0	112.5	K177 Q181	K177-Q183 PolarHBondContact O-N 3.27Å; Q181-Q183 HydrophobicContact CB-CG 4.22Å; Q181-Q183 PolarHBondContact O-N 3.24Å
184	P	43.1	Very low	54.4	Low	97 Å²	97	57.8 Å²	57.8	63%	0.63	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-63.5	133.6	168.3	-17.3	31.3	0	0	0	111.5	K218	P184-K218 HydrophobicContact CB-CD 4.26Å
185	I	52.4	Low	54.2	Low	41 Å²	41	60.6 Å²	60.6	21%	0.21	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-89.5	130.9	168	-49.2	177.1	0	0	0	107.9	A178 D189 F190 L193 N219	A178-I185 HydrophobicContact CB-CD1 3.51Å; A178-I185 HydrophobicContact CB-CG1 3.56Å; I185-D189 HydrophobicContact CG2-CB 3.48Å; I185-D189 VanDerWaalsContact CG2-CB 3.48Å; I185-F190 HydrophobicContact CD1-CD2 4.32Å; I185-F190 HydrophobicContact CG2-CB 3.93Å; I185-L193 HydrophobicContact CD1-CD1 3.94Å; I185-L193 HydrophobicContact CG2-CD1 4.25Å; I185-N219 PolarHBondContact O-ND2 2.8Å
186	S	50.2	Low	54.4	Low	48 Å²	48	61.2 Å²	61.2	34%	0.336	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-68.8	161	174.8	86.1	0	0	0	0	112.2	N188 D189 F190	S186-N188 PolarHBondContact O-N 3.4Å; S186-N188 VanDerWaalsContact O-N 3.16Å; S186-N188 PolarHBondContact OG-N 3.02Å; S186-D189 VanDerWaalsContact CB-OD2 3.23Å; S186-D189 WeakPolarHBondContact CB-OD2 3.43Å; S186-D189 PolarHBondContact O-N 3.43Å; S186-D189 WeakPolarHBondContact OG-CB 3.49Å; S186-D189 PolarHBondContact OG-N 3.49Å; S186-D189 VanDerWaalsContact OG-N 3.1Å; S186-D189 PolarHBondContact OG-OD2 2.87Å; S186-F190 WeakPolarHBondContact O-CB 3.4Å; S186-F190 PolarHBondContact O-N 2.98Å
187	L	45.8	Very low	54.4	Low	51 Å²	51	60.3 Å²	60.3	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-22.2	177.4	-165.9	113.8	0	0	0	113.8	A191 N219 V221 R257	L187-A191 WeakPolarHBondContact O-CB 3.45Å; L187-A191 PolarHBondContact O-N 3.22Å; L187-N219 WeakPolarHBondContact CB-OD1 3.34Å; L187-N219 HydrophobicContact CD1-CB 3.95Å; L187-N219 WeakPolarHBondContact CD1-O 3.44Å; L187-N219 PolarHBondContact N-OD1 2.74Å; L187-N219 VanDerWaalsContact N-OD1 3.11Å; L187-V221 HydrophobicContact CD1-CG2 3.45Å; L187-V221 VanDerWaalsContact CD1-CG2 3.45Å; L187-R257 VanDerWaalsContact CD2-CZ 3.46Å
188	N	48.5	Very low	54.1	Low	112 Å²	112	59.9 Å²	59.9	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-87.3	-43.1	176.1	-68.8	-17.9	0	0	0	111	S186 F190 A191 F192	S186-N188 PolarHBondContact O-N 3.4Å; S186-N188 VanDerWaalsContact O-N 3.16Å; S186-N188 PolarHBondContact OG-N 3.02Å; N188-F190 VanDerWaalsContact C-N 3.26Å; N188-F190 PolarHBondContact O-N 2.76Å; N188-A191 PolarHBondContact O-N 2.62Å; N188-A191 VanDerWaalsContact O-N 3.16Å; N188-F192 PolarHBondContact O-N 2.81Å
189	D	56.9	Low	54	Low	66 Å²	66	61.3 Å²	61.3	35%	0.353	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-38	173.4	-70.2	-50.8	0	0	0	111.8	M174 I185 S186 L193	M174-D189 HydrophobicContact CE-CB 3.39Å; M174-D189 VanDerWaalsContact CE-O 3.23Å; M174-D189 WeakPolarHBondContact CE-O 3.24Å; M174-D189 WeakPolarHBondContact CE-OD1 3.18Å; I185-D189 HydrophobicContact CG2-CB 3.48Å; I185-D189 VanDerWaalsContact CG2-CB 3.48Å; S186-D189 VanDerWaalsContact CB-OD2 3.23Å; S186-D189 WeakPolarHBondContact CB-OD2 3.43Å; S186-D189 PolarHBondContact O-N 3.43Å; S186-D189 WeakPolarHBondContact OG-CB 3.49Å; S186-D189 PolarHBondContact OG-N 3.49Å; S186-D189 VanDerWaalsContact OG-N 3.1Å; S186-D189 PolarHBondContact OG-OD2 2.87Å; D189-L193 PolarHBondContact O-N 2.85Å
190	F	55.6	Low	54	Low	46 Å²	46	63.4 Å²	63.4	20%	0.202	35%	0.346	C	S	.	.	H	α-helix	trans	-72.5	-38.2	174.7	-169.2	-87.9	0	0	0	112.3	I185 S186 N188 F192 L193 I194 L215	I185-F190 HydrophobicContact CD1-CD2 4.32Å; I185-F190 HydrophobicContact CG2-CB 3.93Å; S186-F190 WeakPolarHBondContact O-CB 3.4Å; S186-F190 PolarHBondContact O-N 2.98Å; N188-F190 VanDerWaalsContact C-N 3.26Å; N188-F190 PolarHBondContact O-N 2.76Å; F190-F192 VanDerWaalsContact C-N 3.27Å; F190-F192 PolarHBondContact O-N 3Å; F190-L193 WeakPolarHBondContact O-CB 3.47Å; F190-L193 PolarHBondContact O-N 3.3Å; F190-I194 HydrophobicContact CD1-CD1 4.5Å; F190-I194 HydrophobicContact CD1-CG1 3.67Å; F190-I194 HydrophobicContact CE1-CD1 3.51Å; F190-I194 HydrophobicContact CE1-CG1 3.12Å; F190-I194 HydrophobicContact CZ-CD1 3.73Å; F190-I194 HydrophobicContact CZ-CG1 3.76Å; F190-I194 WeakPolarHBondContact O-CB 3.49Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.14Å; F190-L215 HydrophobicContact CD1-CD2 3.31Å; F190-L215 HydrophobicContact CD1-CG 4.03Å; F190-L215 HydrophobicContact CD2-CD2 4.5Å; F190-L215 HydrophobicContact CE1-CD1 3.57Å; F190-L215 HydrophobicContact CE1-CD2 3.21Å; F190-L215 HydrophobicContact CE1-CG 3.41Å; F190-L215 VanDerWaalsContact CE1-CG 3.41Å; F190-L215 HydrophobicContact CE2-CD2 4.43Å; F190-L215 HydrophobicContact CE2-CG 4.25Å; F190-L215 HydrophobicContact CG-CD2 3.99Å; F190-L215 HydrophobicContact CZ-CD1 3.8Å; F190-L215 HydrophobicContact CZ-CD2 3.83Å; F190-L215 HydrophobicContact CZ-CG 3.54Å
191	A	51.9	Low	54.3	Low	30 Å²	30	61 Å²	61	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-37.8	174.4	0	0	0	0	0	111.7	L187 N188 I194 D195	L187-A191 WeakPolarHBondContact O-CB 3.45Å; L187-A191 PolarHBondContact O-N 3.22Å; N188-A191 PolarHBondContact O-N 2.62Å; N188-A191 VanDerWaalsContact O-N 3.16Å; A191-I194 PolarHBondContact O-N 3.05Å; A191-D195 PolarHBondContact O-N 2.84Å; A191-D195 VanDerWaalsContact O-N 3.08Å
192	F	62.2	Low	54.6	Low	54 Å²	54	59.2 Å²	59.2	24%	0.237	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-46.3	171.9	176.5	-96.5	0	0	0	112.1	P167 K170 A171 M174 N188 F190 I194 D195 Q196	P167-F192 HydrophobicContact CB-CE2 4.22Å; P167-F192 HydrophobicContact CB-CZ 3.97Å; P167-F192 WeakPolarHBondContact O-CZ 3.47Å; K170-F192 HydrophobicContact CB-CE1 4.05Å; K170-F192 HydrophobicContact CB-CZ 4.15Å; K170-F192 HydrophobicContact CD-CE1 4.04Å; K170-F192 HydrophobicContact CD-CZ 3.96Å; K170-F192 HydrophobicContact CG-CE1 4.07Å; K170-F192 HydrophobicContact CG-CZ 4.35Å; A171-F192 HydrophobicContact CB-CE1 4.07Å; M174-F192 HydrophobicContact CE-CD1 3.82Å; M174-F192 HydrophobicContact SD-CD1 3.73Å; M174-F192 HydrophobicContact SD-CE1 3.86Å; N188-F192 PolarHBondContact O-N 2.81Å; F190-F192 VanDerWaalsContact C-N 3.27Å; F190-F192 PolarHBondContact O-N 3Å; F192-I194 VanDerWaalsContact C-N 3.29Å; F192-I194 PolarHBondContact O-N 2.58Å; F192-D195 WeakPolarHBondContact O-CA 3.35Å; F192-D195 WeakPolarHBondContact O-CB 3.33Å; F192-D195 PolarHBondContact O-N 3.39Å; F192-Q196 HydrophobicContact CE1-CG 4.34Å; F192-Q196 HydrophobicContact CZ-CG 4.34Å; F192-Q196 WeakPolarHBondContact O-CG 3.49Å; F192-Q196 PolarHBondContact O-N 3.15Å
193	L	62.1	Low	55	Low	6 Å²	6	53.6 Å²	53.6	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-39.9	173.6	-95.7	161.3	0	0	0	113.2	A171 M174 L175 I185 D189 F190 D195 Q196 I197	A171-L193 HydrophobicContact CB-CD2 3.86Å; A171-L193 HydrophobicContact CB-CG 4.47Å; M174-L193 HydrophobicContact CB-CD1 4.18Å; M174-L193 HydrophobicContact CE-CD1 4.38Å; M174-L193 HydrophobicContact CE-CG 4.44Å; L175-L193 HydrophobicContact CD1-CD2 3.44Å; L175-L193 VanDerWaalsContact CD1-CD2 3.44Å; L175-L193 HydrophobicContact CG-CD1 4.43Å; L175-L193 HydrophobicContact CG-CD2 3.61Å; I185-L193 HydrophobicContact CD1-CD1 3.94Å; I185-L193 HydrophobicContact CG2-CD1 4.25Å; D189-L193 PolarHBondContact O-N 2.85Å; F190-L193 WeakPolarHBondContact O-CB 3.47Å; F190-L193 PolarHBondContact O-N 3.3Å; L193-D195 VanDerWaalsContact C-N 3.25Å; L193-D195 PolarHBondContact O-N 2.83Å; L193-Q196 PolarHBondContact O-N 2.63Å; L193-I197 WeakPolarHBondContact O-CD1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å
194	I	58.9	Low	56	Low	20 Å²	20	50.7 Å²	50.7	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-25.3	173.2	-74	-66.2	0	0	0	112.7	F190 A191 F192 M211 F246 F249 R250	F190-I194 HydrophobicContact CD1-CD1 4.5Å; F190-I194 HydrophobicContact CD1-CG1 3.67Å; F190-I194 HydrophobicContact CE1-CD1 3.51Å; F190-I194 HydrophobicContact CE1-CG1 3.12Å; F190-I194 HydrophobicContact CZ-CD1 3.73Å; F190-I194 HydrophobicContact CZ-CG1 3.76Å; F190-I194 WeakPolarHBondContact O-CB 3.49Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.14Å; A191-I194 PolarHBondContact O-N 3.05Å; F192-I194 VanDerWaalsContact C-N 3.29Å; F192-I194 PolarHBondContact O-N 2.58Å; I194-M211 HydrophobicContact CD1-CE 4.24Å; I194-F246 HydrophobicContact CD1-CE1 3.52Å; I194-F246 HydrophobicContact CD1-CZ 3.5Å; I194-F246 VanDerWaalsContact CD1-CZ 3.5Å; I194-F246 HydrophobicContact CG2-CE1 4.34Å; I194-F249 HydrophobicContact CD1-CE1 4.17Å; I194-R250 HydrophobicContact CG2-CG 3.49Å; I194-R250 VanDerWaalsContact CG2-CG 3.49Å; I194-R250 WeakPolarHBondContact O-CD 3.38Å; I194-R250 PolarHBondContact O-NH1 2.8Å
195	D	61.2	Low	57.3	Low	86 Å²	86	48.3 Å²	48.3	46%	0.46	27%	0.27	S	S	.	.	H	α-helix	trans	-73.7	-33	177	-120.7	-45.7	0	0	0	112.7	A191 F192 L193 I197 R250	A191-D195 PolarHBondContact O-N 2.84Å; A191-D195 VanDerWaalsContact O-N 3.08Å; F192-D195 WeakPolarHBondContact O-CA 3.35Å; F192-D195 WeakPolarHBondContact O-CB 3.33Å; F192-D195 PolarHBondContact O-N 3.39Å; L193-D195 VanDerWaalsContact C-N 3.25Å; L193-D195 PolarHBondContact O-N 2.83Å; D195-I197 PolarHBondContact O-N 2.77Å; D195-I197 VanDerWaalsContact O-N 3.11Å; D195-R250 IonicContact OD1-CZ 3.09Å; D195-R250 VanDerWaalsContact OD1-CZ 3.22Å; D195-R250 IonicContact OD1-NH1 3.74Å; D195-R250 PolarHBondContact OD1-NH1 3.06Å; D195-R250 IonicContact OD1-NH2 2.8Å; D195-R250 PolarHBondContact OD1-NH2 3.45Å; D195-R250 IonicContact OD2-NH2 2.74Å; D195-R250 PolarHBondContact OD2-NH2 3.49Å
196	Q	62.1	Low	58	Low	30 Å²	30	52.3 Å²	52.3	14%	0.14	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	32.4	-178.3	-54.1	-59.3	-88.2	0	0	113.2	L105 I108 S168 A171 F192 L193	L105-Q196 HydrophobicContact CD2-CB 4.21Å; L105-Q196 VanDerWaalsContact CD2-O 3.28Å; L105-Q196 WeakPolarHBondContact CD2-O 3.38Å; I108-Q196 WeakPolarHBondContact CD1-O 3.09Å; S168-Q196 VanDerWaalsContact N-OE1 3.11Å; S168-Q196 PolarHBondContact OG-OE1 2.76Å; A171-Q196 HydrophobicContact CB-CB 4.03Å; A171-Q196 HydrophobicContact CB-CG 3.86Å; F192-Q196 HydrophobicContact CE1-CG 4.34Å; F192-Q196 HydrophobicContact CZ-CG 4.34Å; F192-Q196 WeakPolarHBondContact O-CG 3.49Å; F192-Q196 PolarHBondContact O-N 3.15Å; L193-Q196 PolarHBondContact O-N 2.63Å
197	I	55.1	Low	58.6	Low	10 Å²	10	50.2 Å²	50.2	5%	0.051	27%	0.273	C	S	.	.	S	Bend	trans	-135.4	129.5	-176.3	-64.4	170.8	0	0	0	110.1	F101 T104 L193 D195 A199 I201 F246	F101-I197 HydrophobicContact CD2-CD1 4.07Å; F101-I197 HydrophobicContact CE2-CD1 3.39Å; F101-I197 HydrophobicContact CZ-CD1 4.08Å; T104-I197 HydrophobicContact CG2-CG2 4.14Å; L193-I197 WeakPolarHBondContact O-CD1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; D195-I197 PolarHBondContact O-N 2.77Å; D195-I197 VanDerWaalsContact O-N 3.11Å; I197-A199 PolarHBondContact O-N 2.82Å; I197-I201 HydrophobicContact CG2-CD1 4.2Å; I197-F246 HydrophobicContact CB-CD1 3.87Å; I197-F246 HydrophobicContact CB-CE1 3.65Å; I197-F246 HydrophobicContact CB-CZ 4.13Å; I197-F246 HydrophobicContact CD1-CE1 3.67Å; I197-F246 HydrophobicContact CD1-CE2 4.19Å; I197-F246 HydrophobicContact CD1-CZ 3.39Å; I197-F246 HydrophobicContact CG1-CE1 4.24Å; I197-F246 HydrophobicContact CG1-CZ 4.34Å; I197-F246 HydrophobicContact CG2-CB 4.28Å; I197-F246 HydrophobicContact CG2-CD1 3.39Å; I197-F246 HydrophobicContact CG2-CD2 3.81Å; I197-F246 HydrophobicContact CG2-CE1 3.49Å; I197-F246 VanDerWaalsContact CG2-CE1 3.49Å; I197-F246 HydrophobicContact CG2-CE2 3.89Å; I197-F246 HydrophobicContact CG2-CG 3.55Å; I197-F246 HydrophobicContact CG2-CZ 3.74Å
198	D	55.4	Low	59.6	Low	72 Å²	72	47.8 Å²	47.8	39%	0.385	26%	0.261	S	S	.	.			trans	-61.6	125.4	-178.8	178.2	2.1	0	0	0	111.1	I108 S200 I201 F246	I108-D198 HydrophobicContact CD1-CB 4.41Å; D198-S200 PolarHBondContact O-N 2.79Å; D198-S200 VanDerWaalsContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.28Å; D198-S200 WeakPolarHBondContact OD1-CB 3.48Å; D198-S200 PolarHBondContact OD1-N 3.25Å; D198-S200 PolarHBondContact OD1-OG 2.85Å; D198-S200 PolarHBondContact OD2-OG 3.24Å; D198-I201 HydrophobicContact CB-CD1 3.83Å; D198-I201 HydrophobicContact CB-CG1 4.38Å; D198-I201 PolarHBondContact O-N 2.97Å; D198-F246 WeakPolarHBondContact O-CB 3.31Å
199	A	56.1	Low	60.7	Low	52 Å²	52	43.7 Å²	43.7	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.9	178.8	0	0	0	0	0	113.9	I197 F246 G247	I197-A199 PolarHBondContact O-N 2.82Å; A199-F246 PolarHBondContact O-N 3.16Å; A199-G247 PolarHBondContact O-N 3.36Å
200	S	50.1	Low	61	Low	68 Å²	68	42.9 Å²	42.9	48%	0.476	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.1	-179	82.8	0	0	0	0	114.4	D198 N202	D198-S200 PolarHBondContact O-N 2.79Å; D198-S200 VanDerWaalsContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.28Å; D198-S200 WeakPolarHBondContact OD1-CB 3.48Å; D198-S200 PolarHBondContact OD1-N 3.25Å; D198-S200 PolarHBondContact OD1-OG 2.85Å; D198-S200 PolarHBondContact OD2-OG 3.24Å; S200-N202 PolarHBondContact O-ND2 3.47Å
201	I	55.8	Low	61.3	Low	37 Å²	37	42.1 Å²	42.1	19%	0.19	23%	0.23	C	C	.	.			trans	-70.3	134.2	-169.2	-69.3	154.7	0	0	0	111.8	T104 I197 D198 S245 F246	T104-I201 HydrophobicContact CG2-CD1 3.18Å; T104-I201 WeakPolarHBondContact OG1-CD1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 4.2Å; D198-I201 HydrophobicContact CB-CD1 3.83Å; D198-I201 HydrophobicContact CB-CG1 4.38Å; D198-I201 PolarHBondContact O-N 2.97Å; I201-S245 CarbonylContact O-C 3.39Å; I201-S245 WeakPolarHBondContact O-CA 3.21Å; I201-F246 PolarHBondContact O-N 2.77Å
202	N	60.1	Low	62	Low	76 Å²	76	40.9 Å²	40.9	41%	0.406	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	99.8	-171.4	-74.1	-76.8	0	0	0	112.8	S200 K243 L244 S245	S200-N202 PolarHBondContact O-ND2 3.47Å; N202-K243 HydrophobicContact CB-CB 4.14Å; N202-K243 HydrophobicContact CB-CD 3.95Å; N202-K243 PolarHBondContact O-NZ 3.21Å; N202-L244 WeakPolarHBondContact CA-O 3.33Å; N202-S245 WeakPolarHBondContact OD1-CA 3.45Å; N202-S245 WeakPolarHBondContact OD1-CB 3.44Å; N202-S245 PolarHBondContact OD1-N 2.98Å
203	L	61.6	Low	62	Low	13 Å²	13	41.4 Å²	41.4	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	151.8	176.6	-63.8	172.3	0	0	0	111.5	V97 I208 M211 K243 L244 F246	V97-L203 HydrophobicContact CG1-CD2 3.86Å; L203-I208 HydrophobicContact CB-CD1 4.34Å; L203-I208 HydrophobicContact CB-CG1 3.8Å; L203-M211 HydrophobicContact CD1-CE 4.45Å; L203-M211 HydrophobicContact CD1-SD 3.43Å; L203-M211 WeakPolarHBondContact CD1-SD 3.26Å; L203-K243 CarbonylContact O-C 3.58Å; L203-K243 WeakPolarHBondContact O-CA 3.22Å; L203-L244 PolarHBondContact N-O 3.1Å; L203-L244 PolarHBondContact O-N 3.24Å; L203-F246 HydrophobicContact CD1-CD2 3.88Å; L203-F246 HydrophobicContact CD1-CE2 3.92Å
204	D	71.1	Confident	61.6	Low	49 Å²	49	46.4 Å²	46.4	26%	0.262	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	168.7	173	67.4	85.2	0	0	0	113.3	Q206 S207 I208 G242	D204-Q206 VanDerWaalsContact C-N 3.32Å; D204-Q206 PolarHBondContact O-N 3.03Å; D204-Q206 WeakPolarHBondContact OD1-CA 3.38Å; D204-Q206 VanDerWaalsContact OD1-CB 3.29Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.43Å; D204-Q206 PolarHBondContact OD1-N 3.26Å; D204-S207 VanDerWaalsContact CG-OG 3.3Å; D204-S207 PolarHBondContact O-N 2.97Å; D204-S207 PolarHBondContact OD1-N 3.46Å; D204-S207 PolarHBondContact OD1-OG 3.18Å; D204-S207 VanDerWaalsContact OD2-CB 3.31Å; D204-S207 WeakPolarHBondContact OD2-CB 3.28Å; D204-S207 PolarHBondContact OD2-OG 3.05Å; D204-I208 VanDerWaalsContact O-CD1 3.23Å; D204-I208 WeakPolarHBondContact O-CD1 3.45Å; D204-I208 WeakPolarHBondContact O-CG1 3.21Å; D204-I208 PolarHBondContact O-N 3.17Å; D204-G242 WeakPolarHBondContact CA-O 3.38Å
205	E	69.4	Low	61.2	Low	47 Å²	47	46.4 Å²	46.4	22%	0.22	25%	0.25	C	S	.	.	H	α-helix	trans	-57.1	-38.5	-177.9	-163.9	173.8	147.6	0	0	113.5	M209 Q234 T237 R238	E205-M209 VanDerWaalsContact O-CG 3.28Å; E205-M209 WeakPolarHBondContact O-CG 3.36Å; E205-M209 PolarHBondContact O-N 3.45Å; E205-M209 VanDerWaalsContact O-N 3.07Å; E205-Q234 HydrophobicContact CG-CG 4.37Å; E205-Q234 WeakPolarHBondContact OE1-CG 3.41Å; E205-T237 HydrophobicContact CB-CG2 3.87Å; E205-T237 HydrophobicContact CG-CG2 4.36Å; E205-R238 IonicContact OE1-CZ 3.22Å; E205-R238 IonicContact OE1-NE 3.97Å; E205-R238 PolarHBondContact OE1-NE 3.04Å; E205-R238 VanDerWaalsContact OE1-NE 3.16Å; E205-R238 IonicContact OE1-NH2 3.55Å; E205-R238 PolarHBondContact OE1-NH2 3.17Å; E205-R238 WeakPolarHBondContact OE2-CG 3.35Å; E205-R238 IonicContact OE2-CZ 2.92Å; E205-R238 IonicContact OE2-NE 2.7Å; E205-R238 PolarHBondContact OE2-NE 2.92Å; E205-R238 IonicContact OE2-NH2 2.77Å
206	Q	67.6	Low	60.9	Low	126 Å²	126	44.2 Å²	44.2	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-70.8	-42.4	-179.9	-175.4	177.9	-3	0	0	111.2	D204 M209 Q210	D204-Q206 VanDerWaalsContact C-N 3.32Å; D204-Q206 PolarHBondContact O-N 3.03Å; D204-Q206 WeakPolarHBondContact OD1-CA 3.38Å; D204-Q206 VanDerWaalsContact OD1-CB 3.29Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.43Å; D204-Q206 PolarHBondContact OD1-N 3.26Å; Q206-M209 PolarHBondContact O-N 3.3Å; Q206-Q210 WeakPolarHBondContact O-CG 3.27Å; Q206-Q210 PolarHBondContact O-N 3.33Å
207	S	64.1	Low	60.1	Low	3 Å²	3	51.6 Å²	51.6	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175.5	-64.5	0	0	0	0	112.7	V97 D204 Q210 M211	V97-S207 WeakPolarHBondContact CG2-OG 3.45Å; D204-S207 VanDerWaalsContact CG-OG 3.3Å; D204-S207 PolarHBondContact O-N 2.97Å; D204-S207 PolarHBondContact OD1-N 3.46Å; D204-S207 PolarHBondContact OD1-OG 3.18Å; D204-S207 VanDerWaalsContact OD2-CB 3.31Å; D204-S207 WeakPolarHBondContact OD2-CB 3.28Å; D204-S207 PolarHBondContact OD2-OG 3.05Å; S207-Q210 PolarHBondContact O-N 3.42Å; S207-M211 WeakPolarHBondContact O-CB 3.5Å; S207-M211 PolarHBondContact O-N 3.45Å
208	I	66.7	Low	59.4	Low	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-40.9	176.5	-62.5	155.1	0	0	0	110.8	L203 D204 F212 L233 T237 L244 F249	L203-I208 HydrophobicContact CB-CD1 4.34Å; L203-I208 HydrophobicContact CB-CG1 3.8Å; D204-I208 VanDerWaalsContact O-CD1 3.23Å; D204-I208 WeakPolarHBondContact O-CD1 3.45Å; D204-I208 WeakPolarHBondContact O-CG1 3.21Å; D204-I208 PolarHBondContact O-N 3.17Å; I208-F212 WeakPolarHBondContact O-CB 3.31Å; I208-F212 PolarHBondContact O-N 3.12Å; I208-L233 HydrophobicContact CG2-CB 4.1Å; I208-L233 HydrophobicContact CG2-CD1 4.08Å; I208-L233 HydrophobicContact CG2-CD2 4.06Å; I208-L233 HydrophobicContact CG2-CG 4.31Å; I208-T237 HydrophobicContact CD1-CG2 3.84Å; I208-T237 WeakPolarHBondContact CD1-OG1 3.35Å; I208-L244 HydrophobicContact CD1-CB 3.35Å; I208-L244 HydrophobicContact CD1-CD2 4.1Å; I208-L244 HydrophobicContact CD1-CG 4.37Å; I208-L244 HydrophobicContact CG1-CB 4.4Å; I208-F249 HydrophobicContact CG2-CD2 4.01Å; I208-F249 HydrophobicContact CG2-CE2 4.09Å
209	M	70.1	Confident	58.7	Low	26 Å²	26	55.8 Å²	55.8	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-43.9	174.7	-65.8	-58.5	98.4	0	0	111.6	E205 Q206 F212 D213 K230 L233 Q234	E205-M209 VanDerWaalsContact O-CG 3.28Å; E205-M209 WeakPolarHBondContact O-CG 3.36Å; E205-M209 PolarHBondContact O-N 3.45Å; E205-M209 VanDerWaalsContact O-N 3.07Å; Q206-M209 PolarHBondContact O-N 3.3Å; M209-F212 PolarHBondContact O-N 3.28Å; M209-D213 PolarHBondContact O-N 3.01Å; M209-K230 HydrophobicContact SD-CB 4.37Å; M209-K230 HydrophobicContact SD-CD 4.2Å; M209-K230 HydrophobicContact SD-CG 3.92Å; M209-L233 HydrophobicContact CE-CB 3.83Å; M209-L233 HydrophobicContact CE-CD1 4.49Å; M209-Q234 HydrophobicContact CE-CG 3.8Å; M209-Q234 HydrophobicContact SD-CG 3.84Å
210	Q	64.3	Low	57.9	Low	48 Å²	48	57 Å²	57	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-46.4	176.2	-78.2	-175.3	-16	0	0	111.9	K92 Q206 S207 F212 L214	K92-Q210 PolarHBondContact O-NE2 3.17Å; Q206-Q210 WeakPolarHBondContact O-CG 3.27Å; Q206-Q210 PolarHBondContact O-N 3.33Å; S207-Q210 PolarHBondContact O-N 3.42Å; Q210-F212 VanDerWaalsContact C-N 3.33Å; Q210-F212 PolarHBondContact O-N 3.13Å; Q210-L214 WeakPolarHBondContact O-CB 3.39Å; Q210-L214 WeakPolarHBondContact O-CD1 3.04Å; Q210-L214 VanDerWaalsContact O-CG 3.29Å; Q210-L214 WeakPolarHBondContact O-CG 3.47Å; Q210-L214 PolarHBondContact O-N 3.35Å; Q210-L214 VanDerWaalsContact O-N 3.08Å
211	M	60.9	Low	57.5	Low	31 Å²	31	56.7 Å²	56.7	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-44.5	173	-89.9	-175.5	52.6	0	0	112.1	I194 L203 S207 L215 F246 F249	I194-M211 HydrophobicContact CD1-CE 4.24Å; L203-M211 HydrophobicContact CD1-CE 4.45Å; L203-M211 HydrophobicContact CD1-SD 3.43Å; L203-M211 WeakPolarHBondContact CD1-SD 3.26Å; S207-M211 WeakPolarHBondContact O-CB 3.5Å; S207-M211 PolarHBondContact O-N 3.45Å; M211-L215 WeakPolarHBondContact O-CB 3.4Å; M211-L215 PolarHBondContact O-N 3.03Å; M211-L215 VanDerWaalsContact O-N 3.08Å; M211-F246 HydrophobicContact CE-CE2 3.6Å; M211-F246 HydrophobicContact CE-CZ 3.66Å; M211-F246 HydrophobicContact SD-CE2 3.91Å; M211-F246 HydrophobicContact SD-CZ 4.47Å; M211-F249 HydrophobicContact CE-CD1 4.2Å; M211-F249 HydrophobicContact CE-CE1 3.71Å; M211-F249 HydrophobicContact CE-CZ 3.93Å
212	F	67	Low	57	Low	4 Å²	4	56.2 Å²	56.2	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-41.2	-177.9	-178.4	-88.1	0	0	0	113	I208 M209 Q210 L215 I216 G226 V229 K230 L233 I253	I208-F212 WeakPolarHBondContact O-CB 3.31Å; I208-F212 PolarHBondContact O-N 3.12Å; M209-F212 PolarHBondContact O-N 3.28Å; Q210-F212 VanDerWaalsContact C-N 3.33Å; Q210-F212 PolarHBondContact O-N 3.13Å; F212-L215 WeakPolarHBondContact O-CB 3.15Å; F212-L215 PolarHBondContact O-N 2.89Å; F212-L215 VanDerWaalsContact O-N 3.15Å; F212-I216 HydrophobicContact CD2-CD1 4.28Å; F212-I216 HydrophobicContact CD2-CG1 4.47Å; F212-I216 HydrophobicContact CE1-CD1 4.18Å; F212-I216 HydrophobicContact CE1-CG1 4.36Å; F212-I216 HydrophobicContact CE2-CD1 3.47Å; F212-I216 VanDerWaalsContact CE2-CD1 3.47Å; F212-I216 HydrophobicContact CE2-CG1 4.09Å; F212-I216 HydrophobicContact CZ-CD1 3.43Å; F212-I216 VanDerWaalsContact CZ-CD1 3.43Å; F212-I216 HydrophobicContact CZ-CG1 4.06Å; F212-I216 PolarHBondContact O-N 2.9Å; F212-I216 VanDerWaalsContact O-N 3.13Å; F212-G226 WeakPolarHBondContact CZ-O 3.4Å; F212-V229 HydrophobicContact CD2-CG1 4.37Å; F212-V229 HydrophobicContact CE2-CB 3.64Å; F212-V229 HydrophobicContact CE2-CG1 3.54Å; F212-V229 HydrophobicContact CZ-CB 3.81Å; F212-V229 HydrophobicContact CZ-CG1 4.24Å; F212-K230 HydrophobicContact CD1-CD 4.32Å; F212-K230 HydrophobicContact CD1-CG 3.69Å; F212-K230 HydrophobicContact CE1-CD 4.23Å; F212-K230 HydrophobicContact CE1-CG 3.54Å; F212-K230 HydrophobicContact CG-CG 4.49Å; F212-K230 HydrophobicContact CZ-CG 4.22Å; F212-L233 HydrophobicContact CB-CD1 4.4Å; F212-L233 HydrophobicContact CD2-CD1 3.51Å; F212-L233 HydrophobicContact CE2-CD1 4.07Å; F212-L233 HydrophobicContact CG-CD1 4.15Å; F212-I253 HydrophobicContact CD2-CD1 4.39Å; F212-I253 HydrophobicContact CE2-CD1 4.42Å
213	D	61.7	Low	56.3	Low	64 Å²	64	58.2 Å²	58.2	34%	0.342	32%	0.323	S	S	.	.	H	α-helix	trans	-70.5	-41.5	179	-73.7	-27.6	0	0	0	111.4	M209 L215 K230	M209-D213 PolarHBondContact O-N 3.01Å; D213-L215 PolarHBondContact O-N 3.34Å; D213-K230 WeakPolarHBondContact OD1-CE 3.42Å; D213-K230 IonicContact OD1-NZ 3.47Å; D213-K230 PolarHBondContact OD1-NZ 3.49Å; D213-K230 IonicContact OD2-NZ 2.74Å; D213-K230 PolarHBondContact OD2-NZ 3.26Å
214	L	55	Low	55.6	Low	112 Å²	112	62.2 Å²	62.2	59%	0.586	34%	0.341	S	S	*	.	H	α-helix	trans	-58.6	-26.5	168.5	-74.3	168.2	0	0	0	113.2	I93 Q210	I93-L214 HydrophobicContact CD1-CD1 4.02Å; I93-L214 HydrophobicContact CG1-CD1 4.16Å; Q210-L214 WeakPolarHBondContact O-CB 3.39Å; Q210-L214 WeakPolarHBondContact O-CD1 3.04Å; Q210-L214 VanDerWaalsContact O-CG 3.29Å; Q210-L214 WeakPolarHBondContact O-CG 3.47Å; Q210-L214 PolarHBondContact O-N 3.35Å; Q210-L214 VanDerWaalsContact O-N 3.08Å
215	L	49.4	Very low	54.9	Low	20 Å²	20	61.7 Å²	61.7	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-81.6	-46.8	-173.4	-119.2	166	0	0	0	113.8	F190 M211 F212 D213 N219 F249	F190-L215 HydrophobicContact CD1-CD2 3.31Å; F190-L215 HydrophobicContact CD1-CG 4.03Å; F190-L215 HydrophobicContact CD2-CD2 4.5Å; F190-L215 HydrophobicContact CE1-CD1 3.57Å; F190-L215 HydrophobicContact CE1-CD2 3.21Å; F190-L215 HydrophobicContact CE1-CG 3.41Å; F190-L215 VanDerWaalsContact CE1-CG 3.41Å; F190-L215 HydrophobicContact CE2-CD2 4.43Å; F190-L215 HydrophobicContact CE2-CG 4.25Å; F190-L215 HydrophobicContact CG-CD2 3.99Å; F190-L215 HydrophobicContact CZ-CD1 3.8Å; F190-L215 HydrophobicContact CZ-CD2 3.83Å; F190-L215 HydrophobicContact CZ-CG 3.54Å; M211-L215 WeakPolarHBondContact O-CB 3.4Å; M211-L215 PolarHBondContact O-N 3.03Å; M211-L215 VanDerWaalsContact O-N 3.08Å; F212-L215 WeakPolarHBondContact O-CB 3.15Å; F212-L215 PolarHBondContact O-N 2.89Å; F212-L215 VanDerWaalsContact O-N 3.15Å; D213-L215 PolarHBondContact O-N 3.34Å; L215-N219 WeakPolarHBondContact O-CB 3.3Å; L215-F249 HydrophobicContact CD1-CE1 4.05Å; L215-F249 HydrophobicContact CD1-CZ 3.65Å
216	I	55.7	Low	54.4	Low	40 Å²	40	60 Å²	60	21%	0.205	33%	0.331	C	S	.	.	H	α-helix	trans	-96.4	-30.8	-164	-60.6	-146.3	0	0	0	112.5	F212 K218 N219	F212-I216 HydrophobicContact CD2-CD1 4.28Å; F212-I216 HydrophobicContact CD2-CG1 4.47Å; F212-I216 HydrophobicContact CE1-CD1 4.18Å; F212-I216 HydrophobicContact CE1-CG1 4.36Å; F212-I216 HydrophobicContact CE2-CD1 3.47Å; F212-I216 VanDerWaalsContact CE2-CD1 3.47Å; F212-I216 HydrophobicContact CE2-CG1 4.09Å; F212-I216 HydrophobicContact CZ-CD1 3.43Å; F212-I216 VanDerWaalsContact CZ-CD1 3.43Å; F212-I216 HydrophobicContact CZ-CG1 4.06Å; F212-I216 PolarHBondContact O-N 2.9Å; F212-I216 VanDerWaalsContact O-N 3.13Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 2.93Å; I216-N219 PolarHBondContact O-N 3.02Å
217	E	45.6	Very low	54.2	Low	185 Å²	185	58.4 Å²	58.4	86%	0.864	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.6	-179	-78.5	-158.3	131.8	0	0	114.1
218	K	40.6	Very low	53.9	Low	134 Å²	134	59.1 Å²	59.1	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.7	-179.6	-86.4	-170.6	172.4	-177.1	0	115.3	P184 I216	P184-K218 HydrophobicContact CB-CD 4.26Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 2.93Å
219	N	39.2	Very low	53.9	Low	36 Å²	36	59.4 Å²	59.4	19%	0.193	33%	0.329	C	S	.	.	S	Bend	trans	-129.4	14	-151.8	-112.9	-29.1	0	0	0	116.3	I185 L187 L215 I216 V221	I185-N219 PolarHBondContact O-ND2 2.8Å; L187-N219 WeakPolarHBondContact CB-OD1 3.34Å; L187-N219 HydrophobicContact CD1-CB 3.95Å; L187-N219 WeakPolarHBondContact CD1-O 3.44Å; L187-N219 PolarHBondContact N-OD1 2.74Å; L187-N219 VanDerWaalsContact N-OD1 3.11Å; L215-N219 WeakPolarHBondContact O-CB 3.3Å; I216-N219 PolarHBondContact O-N 3.02Å; N219-V221 VanDerWaalsContact C-N 3.25Å; N219-V221 PolarHBondContact O-N 3.05Å
220	G	39	Very low	53.8	Low	77 Å²	77	59.8 Å²	59.8	79%	0.794	33%	0.33	S	S	*	.			trans	71.3	-0.3	159.3	0	0	0	0	0	117.9	A222	G220-A222 PolarHBondContact O-N 2.83Å
221	V	42.2	Very low	53.9	Low	61 Å²	61	62.2 Å²	62.2	37%	0.37	34%	0.341	S	S	.	.	S	Bend	trans	-76.8	66.1	174.1	-170.9	0	0	0	0	110.4	L187 N219	L187-V221 HydrophobicContact CD1-CG2 3.45Å; L187-V221 VanDerWaalsContact CD1-CG2 3.45Å; N219-V221 VanDerWaalsContact C-N 3.25Å; N219-V221 PolarHBondContact O-N 3.05Å
222	A	45.7	Very low	54.3	Low	28 Å²	28	63 Å²	63	23%	0.231	35%	0.349	C	S	.	.			trans	30.1	120.1	173.7	0	0	0	0	0	118.3	G220 E224 Y225	G220-A222 PolarHBondContact O-N 2.83Å; A222-E224 HydrophobicContact CB-CB 4.11Å; A222-E224 HydrophobicContact CB-CG 4.4Å; A222-E224 PolarHBondContact O-N 2.78Å; A222-Y225 HydrophobicContact CB-CD2 3.73Å; A222-Y225 HydrophobicContact CB-CE2 3.73Å; A222-Y225 PolarHBondContact O-N 3.17Å
223	S	45.8	Very low	54.4	Low	117 Å²	117	62.9 Å²	62.9	82%	0.818	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-21.9	162	46.5	0	0	0	0	114.2	Y225	S223-Y225 PolarHBondContact O-N 3.29Å
224	E	47.6	Very low	54.9	Low	97 Å²	97	62.2 Å²	62.2	45%	0.453	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.6	172.2	-60.1	174.5	155.5	0	0	114.1	A222 K261	A222-E224 HydrophobicContact CB-CB 4.11Å; A222-E224 HydrophobicContact CB-CG 4.4Å; A222-E224 PolarHBondContact O-N 2.78Å; E224-K261 IonicContact OE1-NZ 3.73Å; E224-K261 PolarHBondContact OE1-NZ 3.24Å; E224-K261 WeakPolarHBondContact OE2-CE 3.3Å; E224-K261 IonicContact OE2-NZ 2.78Å; E224-K261 PolarHBondContact OE2-NZ 3.45Å
225	Y	55.9	Low	55.7	Low	38 Å²	38	63.1 Å²	63.1	15%	0.149	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-14.7	-175.3	-49.3	-50.9	0	0	0	115.1	A222 S223 E227 L228 V229 K261 A264	A222-Y225 HydrophobicContact CB-CD2 3.73Å; A222-Y225 HydrophobicContact CB-CE2 3.73Å; A222-Y225 PolarHBondContact O-N 3.17Å; S223-Y225 PolarHBondContact O-N 3.29Å; Y225-E227 VanDerWaalsContact C-N 3.34Å; Y225-E227 PolarHBondContact O-N 2.97Å; Y225-L228 WeakPolarHBondContact O-CB 3.3Å; Y225-L228 PolarHBondContact O-N 2.77Å; Y225-V229 PolarHBondContact O-N 3.25Å; Y225-V229 VanDerWaalsContact O-N 3.09Å; Y225-K261 WeakPolarHBondContact OH-CG 3.46Å; Y225-A264 HydrophobicContact CD1-CB 4.28Å; Y225-A264 HydrophobicContact CE1-CB 3.62Å
226	G	59.5	Low	56.8	Low	11 Å²	11	65 Å²	65	11%	0.113	35%	0.35	C	S	.	.	H	α-helix	trans	-50.7	-49.5	-171.2	0	0	0	0	0	113.7	F212 L228 V229 K230	F212-G226 WeakPolarHBondContact CZ-O 3.4Å; G226-L228 PolarHBondContact O-N 2.66Å; G226-V229 PolarHBondContact O-N 2.89Å; G226-K230 PolarHBondContact O-N 2.93Å
227	E	61.5	Low	57.6	Low	94 Å²	94	63 Å²	63	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-32.7	178.3	-70.8	-55.2	125	0	0	113.7	Y225 H231	Y225-E227 VanDerWaalsContact C-N 3.34Å; Y225-E227 PolarHBondContact O-N 2.97Å; E227-H231 VanDerWaalsContact O-CB 3.3Å; E227-H231 WeakPolarHBondContact O-CB 3.15Å; E227-H231 PolarHBondContact O-N 2.86Å
228	L	59.5	Low	59	Low	17 Å²	17	61.5 Å²	61.5	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-40.4	177.2	-172.2	65.4	0	0	0	110.9	Y225 G226 C232 F256 L268 L279	Y225-L228 WeakPolarHBondContact O-CB 3.3Å; Y225-L228 PolarHBondContact O-N 2.77Å; G226-L228 PolarHBondContact O-N 2.66Å; L228-C232 PolarHBondContact O-N 3.04Å; L228-C232 VanDerWaalsContact O-N 3.07Å; L228-F256 HydrophobicContact CD2-CE1 3.82Å; L228-F256 HydrophobicContact CG-CE1 4Å; L228-F256 HydrophobicContact CG-CZ 4.28Å; L228-L268 HydrophobicContact CD1-CD2 4.08Å; L228-L268 HydrophobicContact CD2-CD2 4.01Å; L228-L268 HydrophobicContact CD2-CG 4.26Å; L228-L279 HydrophobicContact CD1-CD1 4.26Å
229	V	64.9	Low	60.5	Low	7 Å²	7	62.1 Å²	62.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-73.6	-40.6	176.7	-167.2	0	0	0	0	111.2	F212 Y225 G226 H231 C232 L233 I252 I253 F256	F212-V229 HydrophobicContact CD2-CG1 4.37Å; F212-V229 HydrophobicContact CE2-CB 3.64Å; F212-V229 HydrophobicContact CE2-CG1 3.54Å; F212-V229 HydrophobicContact CZ-CB 3.81Å; F212-V229 HydrophobicContact CZ-CG1 4.24Å; Y225-V229 PolarHBondContact O-N 3.25Å; Y225-V229 VanDerWaalsContact O-N 3.09Å; G226-V229 PolarHBondContact O-N 2.89Å; V229-H231 VanDerWaalsContact C-N 3.33Å; V229-H231 PolarHBondContact O-N 2.97Å; V229-C232 PolarHBondContact O-N 3.22Å; V229-L233 HydrophobicContact CG1-CD1 4.08Å; V229-L233 HydrophobicContact CG1-CG 4.34Å; V229-L233 WeakPolarHBondContact O-CB 3.22Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 3.45Å; V229-I252 HydrophobicContact CG1-CG2 4.16Å; V229-I253 HydrophobicContact CG1-CD1 4.18Å; V229-F256 HydrophobicContact CB-CD2 4.25Å; V229-F256 HydrophobicContact CB-CE2 4.36Å; V229-F256 HydrophobicContact CG1-CD2 3.83Å; V229-F256 HydrophobicContact CG1-CE2 4.13Å; V229-F256 HydrophobicContact CG1-CG 4.47Å; V229-F256 HydrophobicContact CG2-CB 4.01Å; V229-F256 HydrophobicContact CG2-CD1 3.78Å; V229-F256 HydrophobicContact CG2-CD2 3.67Å; V229-F256 HydrophobicContact CG2-CE1 4.15Å; V229-F256 HydrophobicContact CG2-CE2 4.04Å; V229-F256 HydrophobicContact CG2-CG 3.54Å; V229-F256 HydrophobicContact CG2-CZ 4.28Å
230	K	69.8	Low	62.1	Low	35 Å²	35	65.5 Å²	65.5	15%	0.152	34%	0.343	C	S	.	.	H	α-helix	trans	-53	-49.9	169.2	-85.6	-171.3	170.8	175.9	0	111.6	M209 F212 D213 G226 C232 L233 Q234	M209-K230 HydrophobicContact SD-CB 4.37Å; M209-K230 HydrophobicContact SD-CD 4.2Å; M209-K230 HydrophobicContact SD-CG 3.92Å; F212-K230 HydrophobicContact CD1-CD 4.32Å; F212-K230 HydrophobicContact CD1-CG 3.69Å; F212-K230 HydrophobicContact CE1-CD 4.23Å; F212-K230 HydrophobicContact CE1-CG 3.54Å; F212-K230 HydrophobicContact CG-CG 4.49Å; F212-K230 HydrophobicContact CZ-CG 4.22Å; D213-K230 WeakPolarHBondContact OD1-CE 3.42Å; D213-K230 IonicContact OD1-NZ 3.47Å; D213-K230 PolarHBondContact OD1-NZ 3.49Å; D213-K230 IonicContact OD2-NZ 2.74Å; D213-K230 PolarHBondContact OD2-NZ 3.26Å; G226-K230 PolarHBondContact O-N 2.93Å; K230-C232 VanDerWaalsContact C-N 3.34Å; K230-C232 PolarHBondContact O-N 2.62Å; K230-L233 PolarHBondContact O-N 3.46Å; K230-Q234 WeakPolarHBondContact O-CB 3.23Å; K230-Q234 VanDerWaalsContact O-CG 3.29Å; K230-Q234 WeakPolarHBondContact O-CG 3.43Å; K230-Q234 PolarHBondContact O-N 3.04Å
231	H	66.1	Low	63.9	Low	98 Å²	98	65.3 Å²	65.3	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-39.5	-179	-165.7	80.3	0	0	0	112.2	E227 V229 K235	E227-H231 VanDerWaalsContact O-CB 3.3Å; E227-H231 WeakPolarHBondContact O-CB 3.15Å; E227-H231 PolarHBondContact O-N 2.86Å; V229-H231 VanDerWaalsContact C-N 3.33Å; V229-H231 PolarHBondContact O-N 2.97Å; H231-K235 WeakPolarHBondContact O-CB 3.43Å; H231-K235 PolarHBondContact O-N 3.45Å
232	C	68.2	Low	65.2	Low	49 Å²	49	64 Å²	64	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-45.9	172.5	-92.6	0	0	0	0	112.8	L228 V229 K230 K235 E236 F256	L228-C232 PolarHBondContact O-N 3.04Å; L228-C232 VanDerWaalsContact O-N 3.07Å; V229-C232 PolarHBondContact O-N 3.22Å; K230-C232 VanDerWaalsContact C-N 3.34Å; K230-C232 PolarHBondContact O-N 2.62Å; C232-K235 PolarHBondContact O-N 3.03Å; C232-E236 WeakPolarHBondContact O-CB 3.44Å; C232-E236 PolarHBondContact O-N 3.17Å; C232-F256 HydrophobicContact CB-CE2 3.98Å; C232-F256 HydrophobicContact CB-CZ 4.22Å
233	L	69.5	Low	66.4	Low	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-50.7	178.6	-73.8	170.1	0	0	0	111.6	I208 M209 F212 V229 K230 K235 E236 T237 L244 F249 I252	I208-L233 HydrophobicContact CG2-CB 4.1Å; I208-L233 HydrophobicContact CG2-CD1 4.08Å; I208-L233 HydrophobicContact CG2-CD2 4.06Å; I208-L233 HydrophobicContact CG2-CG 4.31Å; M209-L233 HydrophobicContact CE-CB 3.83Å; M209-L233 HydrophobicContact CE-CD1 4.49Å; F212-L233 HydrophobicContact CB-CD1 4.4Å; F212-L233 HydrophobicContact CD2-CD1 3.51Å; F212-L233 HydrophobicContact CE2-CD1 4.07Å; F212-L233 HydrophobicContact CG-CD1 4.15Å; V229-L233 HydrophobicContact CG1-CD1 4.08Å; V229-L233 HydrophobicContact CG1-CG 4.34Å; V229-L233 WeakPolarHBondContact O-CB 3.22Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 3.45Å; K230-L233 PolarHBondContact O-N 3.46Å; L233-K235 PolarHBondContact O-N 3.05Å; L233-E236 PolarHBondContact O-N 3.26Å; L233-T237 VanDerWaalsContact O-CB 3.28Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 PolarHBondContact O-OG1 3.5Å; L233-L244 HydrophobicContact CD2-CD2 3.71Å; L233-F249 HydrophobicContact CD1-CD2 4.42Å; L233-F249 HydrophobicContact CD1-CE2 4.02Å; L233-F249 HydrophobicContact CD2-CD2 3.69Å; L233-F249 HydrophobicContact CD2-CE2 4.14Å; L233-I252 HydrophobicContact CD2-CB 4.27Å; L233-I252 HydrophobicContact CD2-CD1 3.93Å; L233-I252 HydrophobicContact CD2-CG2 3.91Å; L233-I252 HydrophobicContact CG-CG2 4.19Å
234	Q	72.6	Confident	67.7	Low	51 Å²	51	62 Å²	62	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-48.9	175.8	-69.6	172.7	-0.4	0	0	111.5	E205 M209 K230 E236 T237 R238	E205-Q234 HydrophobicContact CG-CG 4.37Å; E205-Q234 WeakPolarHBondContact OE1-CG 3.41Å; M209-Q234 HydrophobicContact CE-CG 3.8Å; M209-Q234 HydrophobicContact SD-CG 3.84Å; K230-Q234 WeakPolarHBondContact O-CB 3.23Å; K230-Q234 VanDerWaalsContact O-CG 3.29Å; K230-Q234 WeakPolarHBondContact O-CG 3.43Å; K230-Q234 PolarHBondContact O-N 3.04Å; Q234-E236 PolarHBondContact O-N 3.2Å; Q234-T237 PolarHBondContact O-N 3.1Å; Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.09Å; Q234-R238 PolarHBondContact O-N 3.01Å
235	K	71.8	Confident	68.8	Low	130 Å²	130	58.4 Å²	58.4	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-60.7	-46.2	-178.3	-178.4	176	-179.3	177.2	0	112.4	H231 C232 L233 K239	H231-K235 WeakPolarHBondContact O-CB 3.43Å; H231-K235 PolarHBondContact O-N 3.45Å; C232-K235 PolarHBondContact O-N 3.03Å; L233-K235 PolarHBondContact O-N 3.05Å; K235-K239 VanDerWaalsContact O-CB 3.27Å; K235-K239 WeakPolarHBondContact O-CB 3.38Å; K235-K239 PolarHBondContact O-N 3.01Å
236	E	72	Confident	69.2	Low	59 Å²	59	56.8 Å²	56.8	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-77	-29.2	-177.1	-151.2	68.6	-174.9	0	0	112	C232 L233 Q234 K239 K240 L244 I252	C232-E236 WeakPolarHBondContact O-CB 3.44Å; C232-E236 PolarHBondContact O-N 3.17Å; L233-E236 PolarHBondContact O-N 3.26Å; Q234-E236 PolarHBondContact O-N 3.2Å; E236-K239 VanDerWaalsContact CD-CD 3.42Å; E236-K239 PolarHBondContact O-N 3.11Å; E236-K239 WeakPolarHBondContact OE1-CD 3.25Å; E236-K239 IonicContact OE1-NZ 3.32Å; E236-K239 PolarHBondContact OE1-NZ 3.47Å; E236-K239 WeakPolarHBondContact OE2-CD 3.4Å; E236-K239 IonicContact OE2-NZ 2.85Å; E236-K239 PolarHBondContact OE2-NZ 2.97Å; E236-K240 WeakPolarHBondContact O-CB 3.37Å; E236-K240 PolarHBondContact O-N 3.2Å; E236-L244 HydrophobicContact CB-CD1 4.26Å; E236-L244 HydrophobicContact CG-CD1 4.4Å; E236-I252 HydrophobicContact CB-CD1 4.35Å
237	T	72.8	Confident	69.3	Low	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-49	170	-55.5	0	0	0	0	111.3	E205 I208 L233 Q234 K239 K240 G241 G242 L244	E205-T237 HydrophobicContact CB-CG2 3.87Å; E205-T237 HydrophobicContact CG-CG2 4.36Å; I208-T237 HydrophobicContact CD1-CG2 3.84Å; I208-T237 WeakPolarHBondContact CD1-OG1 3.35Å; L233-T237 VanDerWaalsContact O-CB 3.28Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 PolarHBondContact O-OG1 3.5Å; Q234-T237 PolarHBondContact O-N 3.1Å; T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 2.83Å; T237-K240 CarbonylContact O-C 3.45Å; T237-K240 PolarHBondContact O-N 2.9Å; T237-K240 VanDerWaalsContact O-N 3.16Å; T237-G241 PolarHBondContact O-N 2.85Å; T237-G242 WeakPolarHBondContact O-CA 3.29Å; T237-G242 PolarHBondContact O-N 3.24Å; T237-L244 HydrophobicContact CG2-CB 4.47Å
238	R	75.2	Confident	69.5	Low	152 Å²	152	53.4 Å²	53.4	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-61.4	-41.2	176.5	-68.5	172.4	-168.3	-176.1	8.5	111.9	E205 Q234 K240 G241	E205-R238 IonicContact OE1-CZ 3.22Å; E205-R238 IonicContact OE1-NE 3.97Å; E205-R238 PolarHBondContact OE1-NE 3.04Å; E205-R238 VanDerWaalsContact OE1-NE 3.16Å; E205-R238 IonicContact OE1-NH2 3.55Å; E205-R238 PolarHBondContact OE1-NH2 3.17Å; E205-R238 WeakPolarHBondContact OE2-CG 3.35Å; E205-R238 IonicContact OE2-CZ 2.92Å; E205-R238 IonicContact OE2-NE 2.7Å; E205-R238 PolarHBondContact OE2-NE 2.92Å; E205-R238 IonicContact OE2-NH2 2.77Å; Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.09Å; Q234-R238 PolarHBondContact O-N 3.01Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.15Å; R238-G241 PolarHBondContact O-N 3.35Å
239	K	71.9	Confident	69.9	Low	147 Å²	147	52.9 Å²	52.9	64%	0.639	28%	0.276	S	S	*	.	H	α-helix	trans	-66.7	-24.9	177	-171.5	-164.4	-175	-171.1	0	113.4	K235 E236 T237	K235-K239 VanDerWaalsContact O-CB 3.27Å; K235-K239 WeakPolarHBondContact O-CB 3.38Å; K235-K239 PolarHBondContact O-N 3.01Å; E236-K239 VanDerWaalsContact CD-CD 3.42Å; E236-K239 PolarHBondContact O-N 3.11Å; E236-K239 WeakPolarHBondContact OE1-CD 3.25Å; E236-K239 IonicContact OE1-NZ 3.32Å; E236-K239 PolarHBondContact OE1-NZ 3.47Å; E236-K239 WeakPolarHBondContact OE2-CD 3.4Å; E236-K239 IonicContact OE2-NZ 2.85Å; E236-K239 PolarHBondContact OE2-NZ 2.97Å; T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 2.83Å
240	K	72.5	Confident	69.9	Low	108 Å²	108	56.2 Å²	56.2	47%	0.47	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	18.8	170.2	-76.2	-165	176.3	-171.6	0	113.7	E236 T237 R238 K243 L244	E236-K240 WeakPolarHBondContact O-CB 3.37Å; E236-K240 PolarHBondContact O-N 3.2Å; T237-K240 CarbonylContact O-C 3.45Å; T237-K240 PolarHBondContact O-N 2.9Å; T237-K240 VanDerWaalsContact O-N 3.16Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.15Å; K240-K243 WeakPolarHBondContact CB-O 3.21Å; K240-L244 HydrophobicContact CD-CD1 4.38Å
241	G	76	Confident	69.7	Low	73 Å²	73	59.2 Å²	59.2	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	25.3	172.4	0	0	0	0	0	114.9	T237 R238	T237-G241 PolarHBondContact O-N 2.85Å; R238-G241 PolarHBondContact O-N 3.35Å
242	G	71.2	Confident	69.7	Low	32 Å²	32	55.8 Å²	55.8	33%	0.33	29%	0.294	S	S	.	.	S	Bend	trans	93.1	1.9	178	0	0	0	0	0	114.6	D204 T237	D204-G242 WeakPolarHBondContact CA-O 3.38Å; T237-G242 WeakPolarHBondContact O-CA 3.29Å; T237-G242 PolarHBondContact O-N 3.24Å
243	K	70.7	Confident	69.4	Low	102 Å²	102	55.6 Å²	55.6	44%	0.443	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.4	172.4	-69.1	-167.5	163.9	-138.5	0	112.5	N202 L203 K240	N202-K243 HydrophobicContact CB-CB 4.14Å; N202-K243 HydrophobicContact CB-CD 3.95Å; N202-K243 PolarHBondContact O-NZ 3.21Å; L203-K243 CarbonylContact O-C 3.58Å; L203-K243 WeakPolarHBondContact O-CA 3.22Å; K240-K243 WeakPolarHBondContact CB-O 3.21Å
244	L	72.7	Confident	69	Low	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.7	174.9	-165.8	73.5	0	0	0	109.6	N202 L203 I208 L233 E236 T237 K240 A248 F249 I252	N202-L244 WeakPolarHBondContact CA-O 3.33Å; L203-L244 PolarHBondContact N-O 3.1Å; L203-L244 PolarHBondContact O-N 3.24Å; I208-L244 HydrophobicContact CD1-CB 3.35Å; I208-L244 HydrophobicContact CD1-CD2 4.1Å; I208-L244 HydrophobicContact CD1-CG 4.37Å; I208-L244 HydrophobicContact CG1-CB 4.4Å; L233-L244 HydrophobicContact CD2-CD2 3.71Å; E236-L244 HydrophobicContact CB-CD1 4.26Å; E236-L244 HydrophobicContact CG-CD1 4.4Å; T237-L244 HydrophobicContact CG2-CB 4.47Å; K240-L244 HydrophobicContact CD-CD1 4.38Å; L244-A248 HydrophobicContact CD1-CB 3.95Å; L244-A248 HydrophobicContact CG-CB 4.11Å; L244-F249 HydrophobicContact CD2-CB 4.19Å; L244-I252 HydrophobicContact CD2-CD1 4.35Å
245	S	69.5	Low	68.4	Low	21 Å²	21	61.6 Å²	61.6	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	147.4	176	66.8	0	0	0	0	111.7	I201 N202 G247 A248 F249	I201-S245 CarbonylContact O-C 3.39Å; I201-S245 WeakPolarHBondContact O-CA 3.21Å; N202-S245 WeakPolarHBondContact OD1-CA 3.45Å; N202-S245 WeakPolarHBondContact OD1-CB 3.44Å; N202-S245 PolarHBondContact OD1-N 2.98Å; S245-G247 PolarHBondContact O-N 3.29Å; S245-A248 WeakPolarHBondContact O-CA 3.36Å; S245-A248 WeakPolarHBondContact O-CB 3.35Å; S245-A248 PolarHBondContact O-N 3.25Å; S245-A248 PolarHBondContact OG-N 2.96Å; S245-F249 PolarHBondContact O-N 3.18Å
246	F	65.3	Low	67.7	Low	4 Å²	4	56.9 Å²	56.9	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-35.7	-178.5	-144.2	-91.5	0	0	0	111.6	I194 I197 D198 A199 I201 L203 M211 A248 F249 R250	I194-F246 HydrophobicContact CD1-CE1 3.52Å; I194-F246 HydrophobicContact CD1-CZ 3.5Å; I194-F246 VanDerWaalsContact CD1-CZ 3.5Å; I194-F246 HydrophobicContact CG2-CE1 4.34Å; I197-F246 HydrophobicContact CB-CD1 3.87Å; I197-F246 HydrophobicContact CB-CE1 3.65Å; I197-F246 HydrophobicContact CB-CZ 4.13Å; I197-F246 HydrophobicContact CD1-CE1 3.67Å; I197-F246 HydrophobicContact CD1-CE2 4.19Å; I197-F246 HydrophobicContact CD1-CZ 3.39Å; I197-F246 HydrophobicContact CG1-CE1 4.24Å; I197-F246 HydrophobicContact CG1-CZ 4.34Å; I197-F246 HydrophobicContact CG2-CB 4.28Å; I197-F246 HydrophobicContact CG2-CD1 3.39Å; I197-F246 HydrophobicContact CG2-CD2 3.81Å; I197-F246 HydrophobicContact CG2-CE1 3.49Å; I197-F246 VanDerWaalsContact CG2-CE1 3.49Å; I197-F246 HydrophobicContact CG2-CE2 3.89Å; I197-F246 HydrophobicContact CG2-CG 3.55Å; I197-F246 HydrophobicContact CG2-CZ 3.74Å; D198-F246 WeakPolarHBondContact O-CB 3.31Å; A199-F246 PolarHBondContact O-N 3.16Å; I201-F246 PolarHBondContact O-N 2.77Å; L203-F246 HydrophobicContact CD1-CD2 3.88Å; L203-F246 HydrophobicContact CD1-CE2 3.92Å; M211-F246 HydrophobicContact CE-CE2 3.6Å; M211-F246 HydrophobicContact CE-CZ 3.66Å; M211-F246 HydrophobicContact SD-CE2 3.91Å; M211-F246 HydrophobicContact SD-CZ 4.47Å; F246-A248 VanDerWaalsContact C-N 3.33Å; F246-A248 PolarHBondContact O-N 3.4Å; F246-F249 WeakPolarHBondContact O-CB 3.19Å; F246-F249 PolarHBondContact O-N 2.78Å; F246-R250 HydrophobicContact CD1-CG 4.17Å; F246-R250 HydrophobicContact CE1-CG 4.49Å; F246-R250 WeakPolarHBondContact O-CG 3.37Å; F246-R250 PolarHBondContact O-N 3.33Å
247	G	60.8	Low	67	Low	18 Å²	18	59.8 Å²	59.8	19%	0.186	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-41.3	170.4	0	0	0	0	0	113	A199 S245 R250 T251	A199-G247 PolarHBondContact O-N 3.36Å; S245-G247 PolarHBondContact O-N 3.29Å; G247-R250 PolarHBondContact O-N 3.44Å; G247-T251 PolarHBondContact O-N 2.92Å; G247-T251 PolarHBondContact O-OG1 3.34Å
248	A	66.1	Low	66.2	Low	17 Å²	17	65.9 Å²	65.9	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-71.3	-35.5	177.1	0	0	0	0	0	112.4	L244 S245 F246 T251 I252	L244-A248 HydrophobicContact CD1-CB 3.95Å; L244-A248 HydrophobicContact CG-CB 4.11Å; S245-A248 WeakPolarHBondContact O-CA 3.36Å; S245-A248 WeakPolarHBondContact O-CB 3.35Å; S245-A248 PolarHBondContact O-N 3.25Å; S245-A248 PolarHBondContact OG-N 2.96Å; F246-A248 VanDerWaalsContact C-N 3.33Å; F246-A248 PolarHBondContact O-N 3.4Å; A248-T251 PolarHBondContact O-N 2.96Å; A248-I252 VanDerWaalsContact O-CG1 3.3Å; A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 2.9Å
249	F	68.9	Low	65.1	Low	5 Å²	5	60.1 Å²	60.1	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-49.2	169.5	-178.6	-96.2	0	0	0	110.8	I194 I208 M211 L215 L233 L244 S245 F246 T251 I252 I253	I194-F249 HydrophobicContact CD1-CE1 4.17Å; I208-F249 HydrophobicContact CG2-CD2 4.01Å; I208-F249 HydrophobicContact CG2-CE2 4.09Å; M211-F249 HydrophobicContact CE-CD1 4.2Å; M211-F249 HydrophobicContact CE-CE1 3.71Å; M211-F249 HydrophobicContact CE-CZ 3.93Å; L215-F249 HydrophobicContact CD1-CE1 4.05Å; L215-F249 HydrophobicContact CD1-CZ 3.65Å; L233-F249 HydrophobicContact CD1-CD2 4.42Å; L233-F249 HydrophobicContact CD1-CE2 4.02Å; L233-F249 HydrophobicContact CD2-CD2 3.69Å; L233-F249 HydrophobicContact CD2-CE2 4.14Å; L244-F249 HydrophobicContact CD2-CB 4.19Å; S245-F249 PolarHBondContact O-N 3.18Å; F246-F249 WeakPolarHBondContact O-CB 3.19Å; F246-F249 PolarHBondContact O-N 2.78Å; F249-T251 PolarHBondContact O-N 3.42Å; F249-I252 PolarHBondContact O-N 2.93Å; F249-I253 HydrophobicContact CD1-CG1 4.21Å; F249-I253 HydrophobicContact CE1-CG1 3.85Å; F249-I253 HydrophobicContact CE2-CD1 4.43Å; F249-I253 HydrophobicContact CE2-CG1 4.29Å; F249-I253 HydrophobicContact CZ-CD1 4.15Å; F249-I253 HydrophobicContact CZ-CG1 3.89Å; F249-I253 WeakPolarHBondContact O-CG1 3.46Å; F249-I253 PolarHBondContact O-N 3.1Å
250	R	65	Low	64	Low	77 Å²	77	55.8 Å²	55.8	29%	0.291	31%	0.309	S	S	.	.	H	α-helix	trans	-56.6	-46.8	175.2	-71	-173.3	68.5	179.8	-0.2	112.2	I194 D195 F246 G247 I252 I253 A254	I194-R250 HydrophobicContact CG2-CG 3.49Å; I194-R250 VanDerWaalsContact CG2-CG 3.49Å; I194-R250 WeakPolarHBondContact O-CD 3.38Å; I194-R250 PolarHBondContact O-NH1 2.8Å; D195-R250 IonicContact OD1-CZ 3.09Å; D195-R250 VanDerWaalsContact OD1-CZ 3.22Å; D195-R250 IonicContact OD1-NH1 3.74Å; D195-R250 PolarHBondContact OD1-NH1 3.06Å; D195-R250 IonicContact OD1-NH2 2.8Å; D195-R250 PolarHBondContact OD1-NH2 3.45Å; D195-R250 IonicContact OD2-NH2 2.74Å; D195-R250 PolarHBondContact OD2-NH2 3.49Å; F246-R250 HydrophobicContact CD1-CG 4.17Å; F246-R250 HydrophobicContact CE1-CG 4.49Å; F246-R250 WeakPolarHBondContact O-CG 3.37Å; F246-R250 PolarHBondContact O-N 3.33Å; G247-R250 PolarHBondContact O-N 3.44Å; R250-I252 PolarHBondContact O-N 3.26Å; R250-I253 PolarHBondContact O-N 2.91Å; R250-A254 VanDerWaalsContact O-CB 3.25Å; R250-A254 WeakPolarHBondContact O-CB 3.38Å; R250-A254 PolarHBondContact O-N 3.43Å
251	T	64.6	Low	62.9	Low	98 Å²	98	56.1 Å²	56.1	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-60.1	-43.3	177	-51.1	0	0	0	0	112.4	G247 A248 F249 Y255	G247-T251 PolarHBondContact O-N 2.92Å; G247-T251 PolarHBondContact O-OG1 3.34Å; A248-T251 PolarHBondContact O-N 2.96Å; F249-T251 PolarHBondContact O-N 3.42Å; T251-Y255 WeakPolarHBondContact O-CB 3.23Å; T251-Y255 PolarHBondContact O-N 3.17Å
252	I	66.1	Low	61.5	Low	27 Å²	27	58.9 Å²	58.9	14%	0.138	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-48.3	179.4	-70.1	167	0	0	0	110.6	V229 L233 E236 L244 A248 F249 R250 A254 Y255 F256	V229-I252 HydrophobicContact CG1-CG2 4.16Å; L233-I252 HydrophobicContact CD2-CB 4.27Å; L233-I252 HydrophobicContact CD2-CD1 3.93Å; L233-I252 HydrophobicContact CD2-CG2 3.91Å; L233-I252 HydrophobicContact CG-CG2 4.19Å; E236-I252 HydrophobicContact CB-CD1 4.35Å; L244-I252 HydrophobicContact CD2-CD1 4.35Å; A248-I252 VanDerWaalsContact O-CG1 3.3Å; A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 2.9Å; F249-I252 PolarHBondContact O-N 2.93Å; R250-I252 PolarHBondContact O-N 3.26Å; I252-A254 PolarHBondContact O-N 2.74Å; I252-Y255 PolarHBondContact O-N 3.24Å; I252-F256 HydrophobicContact CG2-CD2 4Å; I252-F256 HydrophobicContact CG2-CE2 4.01Å; I252-F256 VanDerWaalsContact O-CD2 3.29Å; I252-F256 WeakPolarHBondContact O-CD2 3.5Å; I252-F256 PolarHBondContact O-N 2.91Å; I252-F256 VanDerWaalsContact O-N 3.16Å
253	I	63.2	Low	60.4	Low	45 Å²	45	62 Å²	62	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-42.8	178.2	-64	-63.3	0	0	0	111.3	F212 V229 F249 R250 Y255 F256 R257	F212-I253 HydrophobicContact CD2-CD1 4.39Å; F212-I253 HydrophobicContact CE2-CD1 4.42Å; V229-I253 HydrophobicContact CG1-CD1 4.18Å; F249-I253 HydrophobicContact CD1-CG1 4.21Å; F249-I253 HydrophobicContact CE1-CG1 3.85Å; F249-I253 HydrophobicContact CE2-CD1 4.43Å; F249-I253 HydrophobicContact CE2-CG1 4.29Å; F249-I253 HydrophobicContact CZ-CD1 4.15Å; F249-I253 HydrophobicContact CZ-CG1 3.89Å; F249-I253 WeakPolarHBondContact O-CG1 3.46Å; F249-I253 PolarHBondContact O-N 3.1Å; R250-I253 PolarHBondContact O-N 2.91Å; I253-Y255 PolarHBondContact O-N 2.97Å; I253-F256 PolarHBondContact O-N 3.41Å; I253-R257 VanDerWaalsContact O-CB 3.27Å; I253-R257 WeakPolarHBondContact O-CB 3.41Å; I253-R257 PolarHBondContact O-N 3.15Å
254	A	60.8	Low	59.2	Low	46 Å²	46	57.1 Å²	57.1	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-38.7	177.4	0	0	0	0	0	112.8	R250 I252 R257 N258	R250-A254 VanDerWaalsContact O-CB 3.25Å; R250-A254 WeakPolarHBondContact O-CB 3.38Å; R250-A254 PolarHBondContact O-N 3.43Å; I252-A254 PolarHBondContact O-N 2.74Å; A254-R257 PolarHBondContact O-N 2.72Å; A254-N258 PolarHBondContact O-N 3.15Å; A254-N258 PolarHBondContact O-ND2 3.13Å
255	Y	60.1	Low	58.1	Low	131 Å²	131	62.3 Å²	62.3	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-51.9	174.4	177.1	-97.1	0	0	0	111.3	T251 I252 I253 N258 L259 I267	T251-Y255 WeakPolarHBondContact O-CB 3.23Å; T251-Y255 PolarHBondContact O-N 3.17Å; I252-Y255 PolarHBondContact O-N 3.24Å; I253-Y255 PolarHBondContact O-N 2.97Å; Y255-N258 PolarHBondContact O-N 2.97Å; Y255-L259 HydrophobicContact CD1-CD1 4.42Å; Y255-L259 HydrophobicContact CE1-CD1 4.04Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 4.46Å; Y255-L259 PolarHBondContact O-N 3.32Å; Y255-I267 HydrophobicContact CE1-CD1 4.26Å; Y255-I267 WeakPolarHBondContact OH-CD1 3.48Å
256	F	56.3	Low	57	Low	31 Å²	31	66.9 Å²	66.9	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-35.2	-179.9	-76.9	-75.8	0	0	0	113.2	L228 V229 C232 I252 I253 N258 L259	L228-F256 HydrophobicContact CD2-CE1 3.82Å; L228-F256 HydrophobicContact CG-CE1 4Å; L228-F256 HydrophobicContact CG-CZ 4.28Å; V229-F256 HydrophobicContact CB-CD2 4.25Å; V229-F256 HydrophobicContact CB-CE2 4.36Å; V229-F256 HydrophobicContact CG1-CD2 3.83Å; V229-F256 HydrophobicContact CG1-CE2 4.13Å; V229-F256 HydrophobicContact CG1-CG 4.47Å; V229-F256 HydrophobicContact CG2-CB 4.01Å; V229-F256 HydrophobicContact CG2-CD1 3.78Å; V229-F256 HydrophobicContact CG2-CD2 3.67Å; V229-F256 HydrophobicContact CG2-CE1 4.15Å; V229-F256 HydrophobicContact CG2-CE2 4.04Å; V229-F256 HydrophobicContact CG2-CG 3.54Å; V229-F256 HydrophobicContact CG2-CZ 4.28Å; C232-F256 HydrophobicContact CB-CE2 3.98Å; C232-F256 HydrophobicContact CB-CZ 4.22Å; I252-F256 HydrophobicContact CG2-CD2 4Å; I252-F256 HydrophobicContact CG2-CE2 4.01Å; I252-F256 VanDerWaalsContact O-CD2 3.29Å; I252-F256 WeakPolarHBondContact O-CD2 3.5Å; I252-F256 PolarHBondContact O-N 2.91Å; I252-F256 VanDerWaalsContact O-N 3.16Å; I253-F256 PolarHBondContact O-N 3.41Å; F256-N258 PolarHBondContact O-N 2.69Å; F256-L259 HydrophobicContact CD1-CD1 3.61Å; F256-L259 HydrophobicContact CE1-CD1 4.05Å; F256-L259 HydrophobicContact CG-CD1 4.43Å; F256-L259 PolarHBondContact O-N 2.93Å
257	R	58.1	Low	56.2	Low	120 Å²	120	69.1 Å²	69.1	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-24.3	175.7	-175.4	169.9	172.9	157	-3	113.2	L187 I253 A254	L187-R257 VanDerWaalsContact CD2-CZ 3.46Å; I253-R257 VanDerWaalsContact O-CB 3.27Å; I253-R257 WeakPolarHBondContact O-CB 3.41Å; I253-R257 PolarHBondContact O-N 3.15Å; A254-R257 PolarHBondContact O-N 2.72Å
258	N	55.2	Low	55.4	Low	128 Å²	128	70 Å²	70	68%	0.684	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.9	-179.9	-69.8	-16.2	0	0	0	114.3	A254 Y255 F256 S260	A254-N258 PolarHBondContact O-N 3.15Å; A254-N258 PolarHBondContact O-ND2 3.13Å; Y255-N258 PolarHBondContact O-N 2.97Å; F256-N258 PolarHBondContact O-N 2.69Å; N258-S260 PolarHBondContact O-N 3.16Å
259	L	51.4	Low	54.2	Low	31 Å²	31	71.7 Å²	71.7	16%	0.162	36%	0.359	C	S	.	.			trans	-78.6	120.9	174.2	-70.9	172.7	0	0	0	111	Y255 F256 Q263 A264 I267	Y255-L259 HydrophobicContact CD1-CD1 4.42Å; Y255-L259 HydrophobicContact CE1-CD1 4.04Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 4.46Å; Y255-L259 PolarHBondContact O-N 3.32Å; F256-L259 HydrophobicContact CD1-CD1 3.61Å; F256-L259 HydrophobicContact CE1-CD1 4.05Å; F256-L259 HydrophobicContact CG-CD1 4.43Å; F256-L259 PolarHBondContact O-N 2.93Å; L259-Q263 HydrophobicContact CD2-CB 3.7Å; L259-A264 HydrophobicContact CB-CB 4.4Å; L259-A264 HydrophobicContact CD1-CB 4.42Å; L259-I267 HydrophobicContact CD1-CD1 3.75Å; L259-I267 HydrophobicContact CD2-CD1 3.64Å; L259-I267 HydrophobicContact CG-CD1 4.39Å
260	S	50.4	Low	52.8	Low	55 Å²	55	76.7 Å²	76.7	39%	0.385	39%	0.393	S	S	.	.			trans	-62	153.2	161.9	67.5	0	0	0	0	110.7	N258 K262 Q263 A264	N258-S260 PolarHBondContact O-N 3.16Å; S260-K262 PolarHBondContact O-N 2.78Å; S260-Q263 VanDerWaalsContact CB-OE1 3.28Å; S260-Q263 PolarHBondContact O-N 3.01Å; S260-Q263 WeakPolarHBondContact OG-CG 3.45Å; S260-Q263 PolarHBondContact OG-N 2.86Å; S260-Q263 PolarHBondContact OG-OE1 2.77Å; S260-A264 PolarHBondContact O-N 2.8Å
261	K	49	Very low	51.6	Low	116 Å²	116	74.3 Å²	74.3	50%	0.504	39%	0.388	S	S	.	.	H	α-helix	trans	-47.9	-35.9	174	-110.8	-170	-179.4	-151.2	0	112.4	E224 Y225 H265	E224-K261 IonicContact OE1-NZ 3.73Å; E224-K261 PolarHBondContact OE1-NZ 3.24Å; E224-K261 WeakPolarHBondContact OE2-CE 3.3Å; E224-K261 IonicContact OE2-NZ 2.78Å; E224-K261 PolarHBondContact OE2-NZ 3.45Å; Y225-K261 WeakPolarHBondContact OH-CG 3.46Å; K261-H265 PolarHBondContact O-N 3.41Å; K261-H265 VanDerWaalsContact O-N 3.13Å; K261-H265 PolarHBondContact O-ND1 3.34Å
262	K	46	Very low	50.5	Low	130 Å²	130	73 Å²	73	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-69.4	-40.2	177.6	178.5	168.7	166.6	164.8	0	113.4	S260 L266 N533	S260-K262 PolarHBondContact O-N 2.78Å; K262-L266 PolarHBondContact O-N 3.1Å; K262-L266 VanDerWaalsContact O-N 3.12Å; K262-N533 WeakPolarHBondContact CE-OD1 3.46Å; K262-N533 PolarHBondContact NZ-OD1 2.89Å
263	Q	48.1	Very low	49.3	Very low	97 Å²	97	75.3 Å²	75.3	45%	0.453	40%	0.401	S	S	.	.	H	α-helix	trans	-71.7	-39.4	176.3	-70.3	156.1	-66.3	0	0	111.8	L259 S260 L266 I267	L259-Q263 HydrophobicContact CD2-CB 3.7Å; S260-Q263 VanDerWaalsContact CB-OE1 3.28Å; S260-Q263 PolarHBondContact O-N 3.01Å; S260-Q263 WeakPolarHBondContact OG-CG 3.45Å; S260-Q263 PolarHBondContact OG-N 2.86Å; S260-Q263 PolarHBondContact OG-OE1 2.77Å; Q263-L266 WeakPolarHBondContact O-CB 3.21Å; Q263-L266 PolarHBondContact O-N 3.12Å; Q263-L266 VanDerWaalsContact O-N 3.14Å; Q263-I267 WeakPolarHBondContact O-CG1 3.49Å; Q263-I267 PolarHBondContact O-N 3.36Å
264	A	46.7	Very low	48.2	Very low	1 Å²	1	82.7 Å²	82.7	1%	0.008	43%	0.426	C	S	.	.	H	α-helix	trans	-60.8	-45.1	175.3	0	0	0	0	0	111.9	Y225 L259 S260 L266 I267 L268	Y225-A264 HydrophobicContact CD1-CB 4.28Å; Y225-A264 HydrophobicContact CE1-CB 3.62Å; L259-A264 HydrophobicContact CB-CB 4.4Å; L259-A264 HydrophobicContact CD1-CB 4.42Å; S260-A264 PolarHBondContact O-N 2.8Å; A264-L266 VanDerWaalsContact C-N 3.31Å; A264-L266 PolarHBondContact O-N 3.37Å; A264-I267 PolarHBondContact O-N 2.85Å; A264-L268 WeakPolarHBondContact O-CG 3.43Å; A264-L268 PolarHBondContact O-N 2.95Å
265	H	48.3	Very low	47.1	Very low	110 Å²	110	83 Å²	83	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-36.3	172.7	-80.2	75.5	0	0	0	112.8	K261 L268 A269	K261-H265 PolarHBondContact O-N 3.41Å; K261-H265 VanDerWaalsContact O-N 3.13Å; K261-H265 PolarHBondContact O-ND1 3.34Å; H265-L268 PolarHBondContact O-N 2.66Å; H265-A269 WeakPolarHBondContact O-CB 3.26Å; H265-A269 PolarHBondContact O-N 3.08Å
266	L	46.9	Very low	46.2	Very low	118 Å²	118	80 Å²	80	62%	0.618	41%	0.411	S	S	*	.	H	α-helix	trans	-66.7	-37.7	176.9	-158.2	74.7	0	0	0	112	K262 Q263 A264 A269 C270	K262-L266 PolarHBondContact O-N 3.1Å; K262-L266 VanDerWaalsContact O-N 3.12Å; Q263-L266 WeakPolarHBondContact O-CB 3.21Å; Q263-L266 PolarHBondContact O-N 3.12Å; Q263-L266 VanDerWaalsContact O-N 3.14Å; A264-L266 VanDerWaalsContact C-N 3.31Å; A264-L266 PolarHBondContact O-N 3.37Å; L266-A269 PolarHBondContact O-N 2.84Å; L266-C270 PolarHBondContact O-N 2.81Å; L266-C270 VanDerWaalsContact O-N 3.11Å; L266-C270 PolarHBondContact O-SG 3.48Å; L266-C270 VanDerWaalsContact O-SG 3.33Å
267	I	47.4	Very low	45.3	Very low	51 Å²	51	83 Å²	83	26%	0.262	43%	0.428	S	S	.	.	H	α-helix	trans	-66	-45.1	174.9	-68.3	162.3	0	0	0	110.6	Y255 L259 Q263 A264 A269 C270 C271	Y255-I267 HydrophobicContact CE1-CD1 4.26Å; Y255-I267 WeakPolarHBondContact OH-CD1 3.48Å; L259-I267 HydrophobicContact CD1-CD1 3.75Å; L259-I267 HydrophobicContact CD2-CD1 3.64Å; L259-I267 HydrophobicContact CG-CD1 4.39Å; Q263-I267 WeakPolarHBondContact O-CG1 3.49Å; Q263-I267 PolarHBondContact O-N 3.36Å; A264-I267 PolarHBondContact O-N 2.85Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.16Å; I267-C270 PolarHBondContact O-N 3.37Å; I267-C271 PolarHBondContact O-N 2.93Å; I267-C271 PolarHBondContact O-SG 2.96Å
268	L	44.5	Very low	44.4	Very low	37 Å²	37	82.1 Å²	82.1	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-38.2	175	-71.3	167.4	0	0	0	112.6	L228 A264 H265 C270 C271 L279	L228-L268 HydrophobicContact CD1-CD2 4.08Å; L228-L268 HydrophobicContact CD2-CD2 4.01Å; L228-L268 HydrophobicContact CD2-CG 4.26Å; A264-L268 WeakPolarHBondContact O-CG 3.43Å; A264-L268 PolarHBondContact O-N 2.95Å; H265-L268 PolarHBondContact O-N 2.66Å; L268-C270 VanDerWaalsContact C-N 3.33Å; L268-C270 PolarHBondContact O-N 3.45Å; L268-C271 WeakPolarHBondContact O-CB 3.25Å; L268-C271 PolarHBondContact O-N 3.48Å; L268-L279 HydrophobicContact CD2-CD1 3.91Å
269	A	41.8	Very low	43.5	Very low	52 Å²	52	77.6 Å²	77.6	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-37.1	174.9	0	0	0	0	0	112.2	H265 L266 I267 C271 R276	H265-A269 WeakPolarHBondContact O-CB 3.26Å; H265-A269 PolarHBondContact O-N 3.08Å; L266-A269 PolarHBondContact O-N 2.84Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.16Å; A269-C271 VanDerWaalsContact C-N 3.27Å; A269-C271 PolarHBondContact O-N 3.3Å; A269-R276 PolarHBondContact O-NH2 2.99Å
270	C	38.5	Very low	42.8	Very low	109 Å²	109	81.3 Å²	81.3	74%	0.736	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.4	177.3	-71.9	0	0	0	0	114.7	L266 I267 L268	L266-C270 PolarHBondContact O-N 2.81Å; L266-C270 VanDerWaalsContact O-N 3.11Å; L266-C270 PolarHBondContact O-SG 3.48Å; L266-C270 VanDerWaalsContact O-SG 3.33Å; I267-C270 PolarHBondContact O-N 3.37Å; L268-C270 VanDerWaalsContact C-N 3.33Å; L268-C270 PolarHBondContact O-N 3.45Å
271	C	40.4	Very low	42.2	Very low	28 Å²	28	83 Å²	83	19%	0.189	43%	0.434	C	S	.	.	S	Bend	trans	-67.7	148.1	169.6	-65.5	0	0	0	0	111.3	I267 L268 A269 T275 R276	I267-C271 PolarHBondContact O-N 2.93Å; I267-C271 PolarHBondContact O-SG 2.96Å; L268-C271 WeakPolarHBondContact O-CB 3.25Å; L268-C271 PolarHBondContact O-N 3.48Å; A269-C271 VanDerWaalsContact C-N 3.27Å; A269-C271 PolarHBondContact O-N 3.3Å; C271-T275 HydrophobicContact CB-CG2 4.06Å; C271-R276 PolarHBondContact O-NH2 3.07Å
272	S	41.6	Very low	41.5	Very low	69 Å²	69	79.8 Å²	79.8	48%	0.483	43%	0.43	S	S	.	.			trans	-60.7	154.6	176	83.3	0	0	0	0	110.9	R274 T275 R276	S272-R274 PolarHBondContact O-N 3.15Å; S272-T275 CarbonylContact O-C 3.58Å; S272-T275 WeakPolarHBondContact O-CA 3.37Å; S272-T275 WeakPolarHBondContact O-CB 3.44Å; S272-T275 PolarHBondContact O-N 3.18Å; S272-T275 PolarHBondContact OG-N 3.26Å; S272-T275 PolarHBondContact OG-OG1 3.34Å; S272-R276 PolarHBondContact O-N 3.34Å
273	S	40.9	Very low	41.2	Very low	76 Å²	76	76.6 Å²	76.6	53%	0.531	43%	0.427	S	S	.	.	H	α-helix	trans	-48.6	-56.3	179.8	48	0	0	0	0	111.5	T275 R276 D277	S273-T275 PolarHBondContact O-N 3.43Å; S273-R276 CarbonylContact O-C 3.53Å; S273-R276 WeakPolarHBondContact O-CA 3.34Å; S273-R276 WeakPolarHBondContact O-CB 3.17Å; S273-R276 PolarHBondContact O-N 3.12Å; S273-D277 PolarHBondContact O-N 3.28Å
274	R	38.8	Very low	41.4	Very low	200 Å²	200	73.6 Å²	73.6	76%	0.755	41%	0.414	S	S	*	.	H	α-helix	trans	-57.8	-22.4	177.9	-149.1	178.2	-164.1	176.2	5.3	114.7	S272 N278	S272-R274 PolarHBondContact O-N 3.15Å; R274-N278 WeakPolarHBondContact O-CB 3.34Å; R274-N278 PolarHBondContact O-ND2 3.16Å; R274-N278 PolarHBondContact O-OD1 3.23Å
275	T	38.4	Very low	42	Very low	52 Å²	52	82.1 Å²	82.1	32%	0.319	45%	0.45	S	S	.	.	H	α-helix	trans	-86.1	-36.8	172.2	-46.3	0	0	0	0	111.6	C271 S272 S273 L279	C271-T275 HydrophobicContact CB-CG2 4.06Å; S272-T275 CarbonylContact O-C 3.58Å; S272-T275 WeakPolarHBondContact O-CA 3.37Å; S272-T275 WeakPolarHBondContact O-CB 3.44Å; S272-T275 PolarHBondContact O-N 3.18Å; S272-T275 PolarHBondContact OG-N 3.26Å; S272-T275 PolarHBondContact OG-OG1 3.34Å; S273-T275 PolarHBondContact O-N 3.43Å; T275-L279 HydrophobicContact CG2-CD1 4.06Å; T275-L279 VanDerWaalsContact O-CB 3.3Å; T275-L279 WeakPolarHBondContact O-CB 3.29Å; T275-L279 VanDerWaalsContact O-CG 3.24Å; T275-L279 WeakPolarHBondContact O-CG 3.49Å; T275-L279 PolarHBondContact O-N 3.12Å
276	R	41.4	Very low	43.4	Very low	70 Å²	70	82.2 Å²	82.2	26%	0.264	46%	0.461	S	S	.	.	H	α-helix	trans	-71.8	-41.9	177.9	-162.9	-170.5	-53.7	136.4	5.1	111.5	A269 C271 S272 S273 L279 M280	A269-R276 PolarHBondContact O-NH2 2.99Å; C271-R276 PolarHBondContact O-NH2 3.07Å; S272-R276 PolarHBondContact O-N 3.34Å; S273-R276 CarbonylContact O-C 3.53Å; S273-R276 WeakPolarHBondContact O-CA 3.34Å; S273-R276 WeakPolarHBondContact O-CB 3.17Å; S273-R276 PolarHBondContact O-N 3.12Å; R276-L279 PolarHBondContact O-N 2.83Å; R276-M280 WeakPolarHBondContact O-CB 3.44Å; R276-M280 VanDerWaalsContact O-CG 3.3Å; R276-M280 WeakPolarHBondContact O-CG 3.44Å; R276-M280 PolarHBondContact O-N 3.35Å
277	D	38.1	Very low	45.2	Very low	92 Å²	92	78.1 Å²	78.1	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-52.5	173.2	-54.4	-31.3	0	0	0	109	S273 L279 M280 T281	S273-D277 PolarHBondContact O-N 3.28Å; D277-L279 VanDerWaalsContact C-N 3.32Å; D277-L279 PolarHBondContact O-N 2.91Å; D277-M280 PolarHBondContact O-N 3.33Å; D277-T281 PolarHBondContact O-N 3.47Å; D277-T281 PolarHBondContact O-OG1 3Å
278	N	38.9	Very low	47.2	Very low	103 Å²	103	79.3 Å²	79.3	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-57.7	-39.1	174.3	-77	12.5	0	0	0	113	R274 T281 A282	R274-N278 WeakPolarHBondContact O-CB 3.34Å; R274-N278 PolarHBondContact O-ND2 3.16Å; R274-N278 PolarHBondContact O-OD1 3.23Å; N278-T281 WeakPolarHBondContact CA-OG1 3.5Å; N278-T281 PolarHBondContact O-OG1 3.46Å; N278-A282 WeakPolarHBondContact O-CB 3.32Å; N278-A282 PolarHBondContact O-N 2.72Å
279	L	36.1	Very low	49.4	Very low	32 Å²	32	83.6 Å²	83.6	17%	0.168	47%	0.465	C	S	.	.	H	α-helix	trans	-74.8	-35.6	178.8	-79.7	166.9	0	0	0	112.9	L228 L268 T275 R276 D277 A282 A283	L228-L279 HydrophobicContact CD1-CD1 4.26Å; L268-L279 HydrophobicContact CD2-CD1 3.91Å; T275-L279 HydrophobicContact CG2-CD1 4.06Å; T275-L279 VanDerWaalsContact O-CB 3.3Å; T275-L279 WeakPolarHBondContact O-CB 3.29Å; T275-L279 VanDerWaalsContact O-CG 3.24Å; T275-L279 WeakPolarHBondContact O-CG 3.49Å; T275-L279 PolarHBondContact O-N 3.12Å; R276-L279 PolarHBondContact O-N 2.83Å; D277-L279 VanDerWaalsContact C-N 3.32Å; D277-L279 PolarHBondContact O-N 2.91Å; L279-A282 PolarHBondContact O-N 3.4Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 2.67Å
280	M	37	Very low	51.9	Low	109 Å²	109	83.9 Å²	83.9	54%	0.537	46%	0.461	S	S	.	.	H	α-helix	trans	-68.9	-36	173.8	-70.9	-64.5	-175.1	0	0	111.2	R276 D277 Q284	R276-M280 WeakPolarHBondContact O-CB 3.44Å; R276-M280 VanDerWaalsContact O-CG 3.3Å; R276-M280 WeakPolarHBondContact O-CG 3.44Å; R276-M280 PolarHBondContact O-N 3.35Å; D277-M280 PolarHBondContact O-N 3.33Å; M280-Q284 WeakPolarHBondContact O-CG 3.32Å
281	T	38	Very low	54.5	Low	90 Å²	90	79.6 Å²	79.6	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-75.6	-31	171.7	54.4	0	0	0	0	113.4	D277 N278	D277-T281 PolarHBondContact O-N 3.47Å; D277-T281 PolarHBondContact O-OG1 3Å; N278-T281 WeakPolarHBondContact CA-OG1 3.5Å; N278-T281 PolarHBondContact O-OG1 3.46Å
282	A	34	Very low	57.1	Low	49 Å²	49	83.9 Å²	83.9	41%	0.405	45%	0.454	S	S	.	.	H	α-helix	trans	-82.2	-31.1	179.4	0	0	0	0	0	113.5	N278 L279 Q284	N278-A282 WeakPolarHBondContact O-CB 3.32Å; N278-A282 PolarHBondContact O-N 2.72Å; L279-A282 PolarHBondContact O-N 3.4Å; A282-Q284 PolarHBondContact O-N 3.01Å
283	A	39	Very low	59.6	Low	63 Å²	63	82 Å²	82	52%	0.521	44%	0.44	S	S	.	.	S	Bend	trans	-66.5	-20.2	171.8	0	0	0	0	0	112.4	L279	L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 2.67Å
284	Q	52.1	Low	62.2	Low	35 Å²	35	79.5 Å²	79.5	16%	0.164	42%	0.422	C	S	.	.	S	Bend	trans	-91.8	114.6	170.4	-66	-176.6	22.9	0	0	109.6	M280 A282 P286	M280-Q284 WeakPolarHBondContact O-CG 3.32Å; A282-Q284 PolarHBondContact O-N 3.01Å; Q284-P286 VanDerWaalsContact O-N 3.17Å
285	K	60.5	Low	64.8	Low	179 Å²	179	74 Å²	74	78%	0.778	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-49.7	124.6	177.6	-173	172.9	-176.4	172.4	0	109.9	L287 Q311	K285-L287 PolarHBondContact O-N 3.23Å; K285-Q311 PolarHBondContact O-NE2 3.34Å
286	P	76.3	Confident	67.6	Low	112 Å²	112	71.8 Å²	71.8	73%	0.727	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-62.7	133.6	-175	23.4	-33.4	0	0	0	110.2	Q284	Q284-P286 VanDerWaalsContact O-N 3.17Å
287	L	84.9	Confident	70.3	Confident	32 Å²	32	68.4 Å²	68.4	17%	0.168	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-100.7	128.2	-177.6	-66.3	-178.9	0	0	0	109.1	K285 L301 Q311 P487	K285-L287 PolarHBondContact O-N 3.23Å; L287-L301 HydrophobicContact CB-CD1 3.81Å; L287-L301 WeakPolarHBondContact O-CD1 3.48Å; L287-Q311 HydrophobicContact CD1-CB 4.22Å; L287-Q311 HydrophobicContact CD1-CG 4.14Å; L287-Q311 HydrophobicContact CG-CG 4.26Å; L287-P487 HydrophobicContact CD2-CB 4.26Å
288	P	89.9	Confident	73.1	Confident	77 Å²	77	65 Å²	65	50%	0.5	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-64.4	136.9	175.8	22.4	-31.3	0	0	0	111.3	V290 A291 R299	P288-V290 PolarHBondContact O-N 3.35Å; P288-A291 HydrophobicContact CG-CB 4.12Å; P288-R299 PolarHBondContact O-NH2 3.39Å
289	Y	91.6	Very high	75.8	Confident	126 Å²	126	60.5 Å²	60.5	49%	0.494	35%	0.35	S	S	.	.	S	Bend	trans	-56.7	-33.8	-175.7	-66.4	-60	0	0	0	113.8	L300 L301 R303	Y289-L300 CarbonylContact O-C 3.53Å; Y289-L300 WeakPolarHBondContact O-CA 3.31Å; Y289-L301 HydrophobicContact CD1-CB 4.3Å; Y289-L301 HydrophobicContact CD1-CD1 4.22Å; Y289-L301 PolarHBondContact O-N 2.84Å; Y289-R303 HydrophobicContact CD1-CG 3.91Å; Y289-R303 HydrophobicContact CE1-CG 3.9Å
290	V	92.8	Very high	78.7	Confident	58 Å²	58	59 Å²	59	35%	0.352	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.4	170	-178.3	0	0	0	0	108.3	P288 R299 L300 D340 L344	P288-V290 PolarHBondContact O-N 3.35Å; V290-R299 CarbonylContact C-O 3.58Å; V290-R299 WeakPolarHBondContact CA-O 3.44Å; V290-L300 HydrophobicContact CG2-CD2 4.27Å; V290-L300 HydrophobicContact CG2-CG 4.34Å; V290-D340 HydrophobicContact CG2-CB 4.47Å; V290-L344 HydrophobicContact CG1-CD1 4.15Å; V290-L344 HydrophobicContact CG1-CD2 3.92Å
291	A	93.5	Very high	81.5	Confident	19 Å²	19	54 Å²	54	16%	0.157	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.4	-179.1	0	0	0	0	0	112	P288 V293 L298 R299	P288-A291 HydrophobicContact CG-CB 4.12Å; A291-V293 HydrophobicContact CB-CG1 4.09Å; A291-L298 CarbonylContact O-C 3.55Å; A291-L298 WeakPolarHBondContact O-CA 3.2Å; A291-R299 PolarHBondContact N-O 3.3Å; A291-R299 PolarHBondContact O-N 3.03Å
292	L	94.9	Very high	84.1	Confident	119 Å²	119	49.7 Å²	49.7	62%	0.623	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	115.2	161.1	-169.8	70.5	0	0	0	107.5	S294 L298	L292-S294 WeakPolarHBondContact CD1-O 3.45Å; L292-S294 VanDerWaalsContact CG-O 3.25Å; L292-S294 WeakPolarHBondContact CG-O 3.24Å; L292-L298 HydrophobicContact CB-CD2 4.09Å; L292-L298 HydrophobicContact CD1-CD2 3.69Å; L292-L298 HydrophobicContact CD1-CG 3.92Å
293	V	94.9	Very high	86.7	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.182	28%	0.284	C	S	.	.			trans	-105.9	-14.9	-177	-63.2	0	0	0	0	113	A291 V297 R299 Y316 Y482 V488	A291-V293 HydrophobicContact CB-CG1 4.09Å; V293-V297 HydrophobicContact CG2-CB 3.85Å; V293-V297 HydrophobicContact CG2-CG1 3.52Å; V293-V297 WeakPolarHBondContact CG2-O 3.41Å; V293-V297 PolarHBondContact N-O 3.34Å; V293-R299 HydrophobicContact CG1-CB 4.11Å; V293-R299 HydrophobicContact CG2-CB 4.36Å; V293-Y316 HydrophobicContact CG2-CE1 4.37Å; V293-Y482 HydrophobicContact CB-CE1 4.22Å; V293-Y482 HydrophobicContact CG2-CD1 4.09Å; V293-Y482 HydrophobicContact CG2-CE1 3.65Å; V293-V488 HydrophobicContact CB-CG2 4.03Å; V293-V488 HydrophobicContact CG1-CG2 3.85Å
294	S	94.8	Very high	89.1	Confident	22 Å²	22	48.3 Å²	48.3	15%	0.154	26%	0.264	C	S	.	.	S	Bend	trans	-155.8	-179.6	162.5	78.2	0	0	0	0	110.5	L292 A296 V297 E443 Y482	L292-S294 WeakPolarHBondContact CD1-O 3.45Å; L292-S294 VanDerWaalsContact CG-O 3.25Å; L292-S294 WeakPolarHBondContact CG-O 3.24Å; S294-A296 PolarHBondContact O-N 3.24Å; S294-A296 PolarHBondContact OG-N 3.46Å; S294-V297 PolarHBondContact N-O 3.06Å; S294-V297 PolarHBondContact O-N 2.95Å; S294-V297 WeakPolarHBondContact OG-CB 3.46Å; S294-V297 WeakPolarHBondContact OG-CG2 3.47Å; S294-V297 PolarHBondContact OG-N 2.95Å; S294-V297 VanDerWaalsContact OG-N 3.12Å; S294-E443 VanDerWaalsContact CB-CD 3.49Å; S294-E443 WeakPolarHBondContact CB-OE1 3.35Å; S294-E443 WeakPolarHBondContact CB-OE2 3.43Å; S294-E443 PolarHBondContact OG-OE1 2.85Å; S294-E443 PolarHBondContact OG-OE2 2.87Å; S294-E443 VanDerWaalsContact OG-OE2 3.05Å; S294-Y482 VanDerWaalsContact CB-OH 3.31Å; S294-Y482 WeakPolarHBondContact CB-OH 3.23Å
295	A	93.9	Very high	90.9	Very high	86 Å²	86	50.8 Å²	50.8	71%	0.711	28%	0.283	S	S	*	.	S	Bend	trans	-62.1	-28.3	177.6	0	0	0	0	0	113.6
296	A	96.4	Very high	91.7	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	26%	0.26	C	S	.	.	S	Bend	trans	-106.8	-8.5	-179.2	0	0	0	0	0	114.2	S294 V318 G319 T320 F440	S294-A296 PolarHBondContact O-N 3.24Å; S294-A296 PolarHBondContact OG-N 3.46Å; A296-V318 WeakPolarHBondContact O-CA 3.1Å; A296-G319 PolarHBondContact O-N 3.1Å; A296-T320 HydrophobicContact CB-CG2 3.95Å; A296-F440 HydrophobicContact CB-CE1 4.05Å; A296-F440 HydrophobicContact CB-CZ 3.6Å
297	V	97.6	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114	-170.6	-173.4	0	0	0	0	111.7	V293 S294 Y316 V318 F440 F447 Y482	V293-V297 HydrophobicContact CG2-CB 3.85Å; V293-V297 HydrophobicContact CG2-CG1 3.52Å; V293-V297 WeakPolarHBondContact CG2-O 3.41Å; V293-V297 PolarHBondContact N-O 3.34Å; S294-V297 PolarHBondContact N-O 3.06Å; S294-V297 PolarHBondContact O-N 2.95Å; S294-V297 WeakPolarHBondContact OG-CB 3.46Å; S294-V297 WeakPolarHBondContact OG-CG2 3.47Å; S294-V297 PolarHBondContact OG-N 2.95Å; S294-V297 VanDerWaalsContact OG-N 3.12Å; V297-Y316 HydrophobicContact CG1-CD1 3.58Å; V297-Y316 HydrophobicContact CG1-CE1 4.29Å; V297-Y316 HydrophobicContact CG1-CG 4.37Å; V297-V318 HydrophobicContact CG2-CG1 4.38Å; V297-F440 HydrophobicContact CG2-CD1 4.08Å; V297-F440 HydrophobicContact CG2-CE1 3.64Å; V297-F447 HydrophobicContact CG1-CE1 3.91Å; V297-F447 HydrophobicContact CG1-CZ 3.9Å; V297-F447 HydrophobicContact CG2-CZ 3.79Å; V297-Y482 HydrophobicContact CG1-CE1 4.48Å; V297-Y482 HydrophobicContact CG2-CE2 4.09Å
298	L	97.1	Very high	91.4	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.4	163.3	-76.1	162.8	0	0	0	109.1	A291 L292 Y316 L317 L344 I350	A291-L298 CarbonylContact O-C 3.55Å; A291-L298 WeakPolarHBondContact O-CA 3.2Å; L292-L298 HydrophobicContact CB-CD2 4.09Å; L292-L298 HydrophobicContact CD1-CD2 3.69Å; L292-L298 HydrophobicContact CD1-CG 3.92Å; L298-Y316 CarbonylContact O-C 3.59Å; L298-Y316 VanDerWaalsContact O-CA 3.32Å; L298-Y316 WeakPolarHBondContact O-CA 3.49Å; L298-L317 HydrophobicContact CB-CB 4.09Å; L298-L317 PolarHBondContact N-O 2.92Å; L298-L317 PolarHBondContact O-N 2.81Å; L298-L344 HydrophobicContact CD1-CD1 4.28Å; L298-L344 HydrophobicContact CD1-CD2 4.35Å; L298-I350 HydrophobicContact CD1-CD1 4.19Å
299	R	97.2	Very high	91.2	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.3	173.1	-174.8	-156.3	70	-171.8	-4.8	110.2	P288 V290 A291 V293 N314 I315 Y316	P288-R299 PolarHBondContact O-NH2 3.39Å; V290-R299 CarbonylContact C-O 3.58Å; V290-R299 WeakPolarHBondContact CA-O 3.44Å; A291-R299 PolarHBondContact N-O 3.3Å; A291-R299 PolarHBondContact O-N 3.03Å; V293-R299 HydrophobicContact CG1-CB 4.11Å; V293-R299 HydrophobicContact CG2-CB 4.36Å; R299-N314 WeakPolarHBondContact CD-OD1 3.49Å; R299-N314 HydrophobicContact CG-CB 4.13Å; R299-I315 CarbonylContact C-O 3.43Å; R299-I315 WeakPolarHBondContact CA-O 3.34Å; R299-Y316 HydrophobicContact CB-CD1 3.74Å; R299-Y316 HydrophobicContact CB-CE1 3.67Å; R299-Y316 HydrophobicContact CG-CD1 3.87Å; R299-Y316 HydrophobicContact CG-CE1 3.54Å
300	L	96.5	Very high	91.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154	163.1	-54.8	94.9	0	0	0	110	Y289 V290 I315 L317 Y337 L341 L344	Y289-L300 CarbonylContact O-C 3.53Å; Y289-L300 WeakPolarHBondContact O-CA 3.31Å; V290-L300 HydrophobicContact CG2-CD2 4.27Å; V290-L300 HydrophobicContact CG2-CG 4.34Å; L300-I315 HydrophobicContact CB-CB 4.49Å; L300-I315 PolarHBondContact N-O 3.13Å; L300-I315 PolarHBondContact O-N 3.49Å; L300-L317 HydrophobicContact CD1-CD1 4.12Å; L300-L317 HydrophobicContact CD1-CG 4.28Å; L300-Y337 HydrophobicContact CB-CE2 4.42Å; L300-L341 HydrophobicContact CD1-CD1 4.18Å; L300-L341 HydrophobicContact CD2-CB 3.99Å; L300-L341 HydrophobicContact CD2-CD1 3.95Å; L300-L344 HydrophobicContact CD1-CD2 3.88Å; L300-L344 HydrophobicContact CD2-CD2 3.9Å; L300-L344 HydrophobicContact CG-CD2 3.94Å
301	L	94.9	Very high	91.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.9	165.5	-66.5	175	0	0	0	109.8	L287 Y289 R303 S313 N314	L287-L301 HydrophobicContact CB-CD1 3.81Å; L287-L301 WeakPolarHBondContact O-CD1 3.48Å; Y289-L301 HydrophobicContact CD1-CB 4.3Å; Y289-L301 HydrophobicContact CD1-CD1 4.22Å; Y289-L301 PolarHBondContact O-N 2.84Å; L301-R303 PolarHBondContact O-N 2.85Å; L301-S313 CarbonylContact C-O 3.51Å; L301-S313 WeakPolarHBondContact CA-O 3.14Å; L301-N314 VanDerWaalsContact CD2-OD1 3.22Å; L301-N314 WeakPolarHBondContact CD2-OD1 3.2Å
302	G	92.2	Very high	91	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.			trans	-70.9	13.2	176.1	0	0	0	0	0	115.6	N304 S313	G302-N304 PolarHBondContact O-N 3.47Å; G302-N304 PolarHBondContact O-OD1 2.95Å; G302-S313 PolarHBondContact N-O 3.28Å
303	R	89.9	Confident	91.1	Very high	62 Å²	62	33.7 Å²	33.7	23%	0.234	20%	0.2	C	C	.	.	S	Bend	trans	49.6	21.8	177.7	-67.1	-175.1	177.6	-139.2	5.8	116.6	Y289 L301 P305 D336 D340	Y289-R303 HydrophobicContact CD1-CG 3.91Å; Y289-R303 HydrophobicContact CE1-CG 3.9Å; L301-R303 PolarHBondContact O-N 2.85Å; R303-P305 WeakPolarHBondContact O-CD 3.36Å; R303-D336 IonicContact CZ-OD2 2.71Å; R303-D336 IonicContact NH1-OD2 3.04Å; R303-D336 PolarHBondContact NH1-OD2 2.7Å; R303-D340 IonicContact CZ-OD1 2.68Å; R303-D340 IonicContact CZ-OD2 2.71Å; R303-D340 IonicContact NE-OD2 3.67Å; R303-D340 PolarHBondContact NE-OD2 2.97Å; R303-D340 VanDerWaalsContact NH2-CG 3.27Å; R303-D340 IonicContact NH2-OD1 3.69Å; R303-D340 PolarHBondContact NH2-OD1 3.47Å; R303-D340 VanDerWaalsContact NH2-OD1 3.09Å; R303-D340 IonicContact NH2-OD2 3.84Å; R303-D340 PolarHBondContact NH2-OD2 3.17Å
304	N	90.1	Very high	91.2	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	19%	0.192	C	C	.	.			trans	-109.5	58.4	-175.4	61.7	-41.9	0	0	0	113.8	G302 T309 G312 S313 V331	G302-N304 PolarHBondContact O-N 3.47Å; G302-N304 PolarHBondContact O-OD1 2.95Å; N304-T309 WeakPolarHBondContact O-CB 3.47Å; N304-T309 PolarHBondContact O-OG1 3.15Å; N304-G312 VanDerWaalsContact OD1-CA 3.3Å; N304-G312 WeakPolarHBondContact OD1-CA 3.36Å; N304-S313 PolarHBondContact ND2-OG 3.28Å; N304-S313 PolarHBondContact OD1-N 2.8Å; N304-S313 PolarHBondContact OD1-OG 3.3Å; N304-V331 HydrophobicContact CB-CG1 4.12Å; N304-V331 HydrophobicContact CB-CG2 3.83Å
305	P	88.5	Confident	91.4	Very high	87 Å²	87	31.3 Å²	31.3	57%	0.565	19%	0.185	S	C	*	.			trans	-67.3	150	-177.8	31.5	-36.9	0	0	0	112.4	R303 L310	R303-P305 WeakPolarHBondContact O-CD 3.36Å; P305-L310 CarbonylContact C-O 3.56Å; P305-L310 VanDerWaalsContact CA-O 3.23Å; P305-L310 WeakPolarHBondContact CA-O 3.34Å; P305-L310 WeakPolarHBondContact CB-O 3.44Å
306	G	78.7	Confident	91.6	Very high	28 Å²	28	27.4 Å²	27.4	29%	0.289	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	177	176.8	-173	0	0	0	0	0	114.4	F308 T309 L310	G306-F308 VanDerWaalsContact C-N 3.26Å; G306-F308 PolarHBondContact O-N 3.01Å; G306-T309 WeakPolarHBondContact CA-OG1 3.32Å; G306-T309 PolarHBondContact N-OG1 3.36Å; G306-L310 PolarHBondContact N-O 2.84Å; G306-L310 WeakPolarHBondContact O-CA 3.47Å; G306-L310 PolarHBondContact O-N 3.47Å
307	P	71.5	Confident	91.7	Very high	114 Å²	114	27.2 Å²	27.2	74%	0.74	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.4	-174.9	27.3	-35	0	0	0	114
308	F	81.7	Confident	91.7	Very high	151 Å²	151	27.2 Å²	27.2	66%	0.662	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-43.7	173.3	-62.6	-76.2	0	0	0	111.4	G306 L310	G306-F308 VanDerWaalsContact C-N 3.26Å; G306-F308 PolarHBondContact O-N 3.01Å; F308-L310 VanDerWaalsContact C-N 3.33Å; F308-L310 PolarHBondContact O-N 3.23Å
309	T	87.2	Confident	91.7	Very high	14 Å²	14	26.2 Å²	26.2	9%	0.086	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.7	-174.9	55	0	0	0	0	115.2	N304 G306 Q311 G312 D363 H485	N304-T309 WeakPolarHBondContact O-CB 3.47Å; N304-T309 PolarHBondContact O-OG1 3.15Å; G306-T309 WeakPolarHBondContact CA-OG1 3.32Å; G306-T309 PolarHBondContact N-OG1 3.36Å; T309-Q311 PolarHBondContact O-N 2.74Å; T309-G312 CarbonylContact O-C 3.59Å; T309-G312 WeakPolarHBondContact O-CA 3.44Å; T309-G312 PolarHBondContact O-N 3.09Å; T309-G312 VanDerWaalsContact O-O 3.08Å; T309-D363 HydrophobicContact CG2-CB 4.06Å; T309-D363 WeakPolarHBondContact CG2-OD2 3.14Å; T309-H485 WeakPolarHBondContact CA-ND1 3.41Å; T309-H485 PolarHBondContact O-ND1 3.48Å
310	L	89.9	Confident	91.7	Very high	23 Å²	23	29 Å²	29	12%	0.12	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	56	-119.9	-175.8	-51.5	179.4	0	0	0	111.3	P305 G306 F308 G312 H455 H485	P305-L310 CarbonylContact C-O 3.56Å; P305-L310 VanDerWaalsContact CA-O 3.23Å; P305-L310 WeakPolarHBondContact CA-O 3.34Å; P305-L310 WeakPolarHBondContact CB-O 3.44Å; G306-L310 PolarHBondContact N-O 2.84Å; G306-L310 WeakPolarHBondContact O-CA 3.47Å; G306-L310 PolarHBondContact O-N 3.47Å; F308-L310 VanDerWaalsContact C-N 3.33Å; F308-L310 PolarHBondContact O-N 3.23Å; L310-G312 PolarHBondContact O-N 3.07Å; L310-H455 HydrophobicContact CD1-CB 4.15Å; L310-H485 HydrophobicContact CB-CB 4.27Å; L310-H485 HydrophobicContact CD1-CB 3.93Å; L310-H485 HydrophobicContact CG-CB 4.03Å
311	Q	91.1	Very high	91.5	Very high	33 Å²	33	29.9 Å²	29.9	15%	0.154	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.3	173.7	-55.6	96.5	-30.4	0	0	114.2	K285 L287 T309	K285-Q311 PolarHBondContact O-NE2 3.34Å; L287-Q311 HydrophobicContact CD1-CB 4.22Å; L287-Q311 HydrophobicContact CD1-CG 4.14Å; L287-Q311 HydrophobicContact CG-CG 4.26Å; T309-Q311 PolarHBondContact O-N 2.74Å
312	G	92.2	Very high	91.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.			trans	128.9	171.5	-175.7	0	0	0	0	0	112.6	N304 T309 L310 N314 H485	N304-G312 VanDerWaalsContact OD1-CA 3.3Å; N304-G312 WeakPolarHBondContact OD1-CA 3.36Å; T309-G312 CarbonylContact O-C 3.59Å; T309-G312 WeakPolarHBondContact O-CA 3.44Å; T309-G312 PolarHBondContact O-N 3.09Å; T309-G312 VanDerWaalsContact O-O 3.08Å; L310-G312 PolarHBondContact O-N 3.07Å; G312-N314 PolarHBondContact O-N 3.23Å; G312-H485 PolarHBondContact O-ND1 2.89Å
313	S	96.3	Very high	91.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-66.4	126.5	173.4	-51.8	0	0	0	0	110.6	L301 G302 N304 D363 H485	L301-S313 CarbonylContact C-O 3.51Å; L301-S313 WeakPolarHBondContact CA-O 3.14Å; G302-S313 PolarHBondContact N-O 3.28Å; N304-S313 PolarHBondContact ND2-OG 3.28Å; N304-S313 PolarHBondContact OD1-N 2.8Å; N304-S313 PolarHBondContact OD1-OG 3.3Å; S313-D363 WeakPolarHBondContact CB-O 3.28Å; S313-D363 PolarHBondContact OG-O 3.47Å; S313-H485 WeakPolarHBondContact CA-ND1 3.47Å
314	N	97.9	Very high	92.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.8	169.2	-66.2	-36.5	0	0	0	108.9	R299 L301 G312 Y316 P483 G484 G486	R299-N314 WeakPolarHBondContact CD-OD1 3.49Å; R299-N314 HydrophobicContact CG-CB 4.13Å; L301-N314 VanDerWaalsContact CD2-OD1 3.22Å; L301-N314 WeakPolarHBondContact CD2-OD1 3.2Å; G312-N314 PolarHBondContact O-N 3.23Å; N314-Y316 HydrophobicContact CB-CD2 4.41Å; N314-Y316 HydrophobicContact CB-CE2 3.53Å; N314-Y316 PolarHBondContact ND2-OH 3Å; N314-P483 VanDerWaalsContact CB-O 3.29Å; N314-P483 WeakPolarHBondContact CB-O 3.28Å; N314-P483 PolarHBondContact ND2-O 3.11Å; N314-G484 WeakPolarHBondContact CB-O 3.46Å; N314-G484 PolarHBondContact N-O 2.65Å; N314-G486 PolarHBondContact ND2-N 2.92Å; N314-G486 PolarHBondContact ND2-O 3.35Å
315	I	98.2	Very high	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.3	-176.4	-67.1	154.8	0	0	0	107.6	R299 L300 L326 V327 D328 Y337	R299-I315 CarbonylContact C-O 3.43Å; R299-I315 WeakPolarHBondContact CA-O 3.34Å; L300-I315 HydrophobicContact CB-CB 4.49Å; L300-I315 PolarHBondContact N-O 3.13Å; L300-I315 PolarHBondContact O-N 3.49Å; I315-L326 HydrophobicContact CG2-CD1 3.72Å; I315-L326 HydrophobicContact CG2-CG 4.3Å; I315-V327 WeakPolarHBondContact CA-O 3.29Å; I315-D328 WeakPolarHBondContact CG2-O 3.47Å; I315-Y337 HydrophobicContact CB-CE2 4.39Å; I315-Y337 HydrophobicContact CD1-CD2 4.01Å; I315-Y337 HydrophobicContact CD1-CE1 4.26Å; I315-Y337 HydrophobicContact CD1-CE2 3.43Å; I315-Y337 VanDerWaalsContact CD1-CE2 3.43Å; I315-Y337 HydrophobicContact CG1-CE2 4.49Å; I315-Y337 HydrophobicContact CG2-CE2 4.19Å
316	Y	98.4	Very high	93.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130	-165.8	-62.7	-86.3	0	0	0	112.9	V293 V297 L298 R299 N314 L326 V327 F447 Y482 P483	V293-Y316 HydrophobicContact CG2-CE1 4.37Å; V297-Y316 HydrophobicContact CG1-CD1 3.58Å; V297-Y316 HydrophobicContact CG1-CE1 4.29Å; V297-Y316 HydrophobicContact CG1-CG 4.37Å; L298-Y316 CarbonylContact O-C 3.59Å; L298-Y316 VanDerWaalsContact O-CA 3.32Å; L298-Y316 WeakPolarHBondContact O-CA 3.49Å; R299-Y316 HydrophobicContact CB-CD1 3.74Å; R299-Y316 HydrophobicContact CB-CE1 3.67Å; R299-Y316 HydrophobicContact CG-CD1 3.87Å; R299-Y316 HydrophobicContact CG-CE1 3.54Å; N314-Y316 HydrophobicContact CB-CD2 4.41Å; N314-Y316 HydrophobicContact CB-CE2 3.53Å; N314-Y316 PolarHBondContact ND2-OH 3Å; Y316-L326 CarbonylContact O-C 3.52Å; Y316-L326 WeakPolarHBondContact O-CA 3.38Å; Y316-V327 PolarHBondContact N-O 3.05Å; Y316-V327 PolarHBondContact O-N 3.16Å; Y316-F447 HydrophobicContact CD1-CD1 4.4Å; Y316-F447 AromaticContact CD1-CE1 3.8Å; Y316-F447 HydrophobicContact CD1-CE1 3.8Å; Y316-F447 AromaticContact CD2-CD1 3.73Å; Y316-F447 HydrophobicContact CD2-CD1 3.73Å; Y316-F447 AromaticContact CD2-CE1 3.91Å; Y316-F447 HydrophobicContact CD2-CE1 3.91Å; Y316-F447 HydrophobicContact CE1-CE1 4.36Å; Y316-F447 HydrophobicContact CE2-CD1 4.14Å; Y316-F447 HydrophobicContact CE2-CE1 4.47Å; Y316-F447 AromaticContact CG-CD1 3.87Å; Y316-F447 HydrophobicContact CG-CD1 3.87Å; Y316-F447 AromaticContact CG-CE1 3.53Å; Y316-F447 HydrophobicContact CG-CE1 3.53Å; Y316-Y482 HydrophobicContact CE1-CD1 4.07Å; Y316-Y482 HydrophobicContact CE1-CG 4.26Å; Y316-Y482 WeakPolarHBondContact OH-CA 3.29Å; Y316-P483 PolarHBondContact OH-O 2.91Å
317	L	97.9	Very high	94	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.5	168.2	-85.2	173.7	0	0	0	109.5	L298 L300 R324 I325 L326 L341 L344 I350 I352	L298-L317 HydrophobicContact CB-CB 4.09Å; L298-L317 PolarHBondContact N-O 2.92Å; L298-L317 PolarHBondContact O-N 2.81Å; L300-L317 HydrophobicContact CD1-CD1 4.12Å; L300-L317 HydrophobicContact CD1-CG 4.28Å; L317-R324 HydrophobicContact CD2-CB 4.33Å; L317-I325 WeakPolarHBondContact CA-O 3.34Å; L317-L326 HydrophobicContact CD2-CB 4.3Å; L317-L326 HydrophobicContact CD2-CD1 3.69Å; L317-L326 HydrophobicContact CG-CD1 3.81Å; L317-L341 HydrophobicContact CD1-CD1 4.28Å; L317-L344 HydrophobicContact CD1-CD2 3.9Å; L317-L344 HydrophobicContact CD1-CG 4.46Å; L317-I350 HydrophobicContact CD1-CD1 4.33Å; L317-I350 HydrophobicContact CD2-CG2 4.48Å; L317-I352 HydrophobicContact CD2-CD1 3.79Å; L317-I352 HydrophobicContact CD2-CG1 3.92Å
318	V	98.3	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.3	-167.9	-171.3	0	0	0	0	111.8	A296 V297 R324 I325 V327 A421 L423 F447	A296-V318 WeakPolarHBondContact O-CA 3.1Å; V297-V318 HydrophobicContact CG2-CG1 4.38Å; V318-R324 WeakPolarHBondContact O-CA 3.29Å; V318-R324 VanDerWaalsContact O-CB 3.29Å; V318-R324 WeakPolarHBondContact O-CB 3.36Å; V318-I325 HydrophobicContact CB-CB 4.49Å; V318-I325 PolarHBondContact N-O 3.36Å; V318-I325 PolarHBondContact O-N 3.22Å; V318-V327 HydrophobicContact CG2-CG2 4.11Å; V318-A421 HydrophobicContact CG1-CB 3.69Å; V318-L423 HydrophobicContact CB-CD1 4.37Å; V318-L423 HydrophobicContact CG1-CD1 4.21Å; V318-L423 HydrophobicContact CG1-CD2 4.21Å; V318-L423 HydrophobicContact CG1-CG 4.44Å; V318-L423 HydrophobicContact CG2-CD1 4.47Å; V318-F447 HydrophobicContact CG1-CE2 4.43Å; V318-F447 HydrophobicContact CG1-CZ 4.34Å; V318-F447 HydrophobicContact CG2-CE1 4.01Å; V318-F447 HydrophobicContact CG2-CE2 4.06Å; V318-F447 HydrophobicContact CG2-CZ 3.47Å; V318-F447 VanDerWaalsContact CG2-CZ 3.47Å
319	G	97.5	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.			trans	120.7	152.2	-177.5	0	0	0	0	0	111.7	A296 R324	A296-G319 PolarHBondContact O-N 3.1Å; G319-R324 WeakPolarHBondContact O-CD 3.48Å; G319-R324 PolarHBondContact O-NE 3.4Å; G319-R324 PolarHBondContact O-NH1 2.68Å; G319-R324 PolarHBondContact O-NH2 3.05Å
320	T	96.3	Very high	96.3	Very high	67 Å²	67	19.4 Å²	19.4	41%	0.411	9%	0.093	S	C	.	.	S	Bend	trans	-90.9	-32.1	178.2	60.8	0	0	0	0	112.5	A296 R324 T419	A296-T320 HydrophobicContact CB-CG2 3.95Å; T320-R324 PolarHBondContact O-NH2 3.48Å; T320-T419 PolarHBondContact N-O 3.05Å; T320-T419 PolarHBondContact OG1-O 3.35Å; T320-T419 VanDerWaalsContact OG1-O 3.13Å
321	G	93.9	Very high	96.3	Very high	18 Å²	18	20.4 Å²	20.4	19%	0.186	10%	0.1	C	C	.	.	S	Bend	trans	-76.7	-169.3	-177.5	0	0	0	0	0	115.3	R324 T419	G321-R324 PolarHBondContact O-NE 2.86Å; G321-T419 PolarHBondContact N-O 2.87Å
322	K	95.6	Very high	96.2	Very high	106 Å²	106	21.1 Å²	21.1	46%	0.461	11%	0.111	S	C	.	.	S	Bend	trans	-62.9	-53	177.8	-165.3	-150.2	177.8	-163.1	0	111.6	N349 I350 E351	K322-N349 WeakPolarHBondContact CE-OD1 3.28Å; K322-N349 WeakPolarHBondContact CG-O 3.36Å; K322-I350 CarbonylContact O-C 3.17Å; K322-I350 WeakPolarHBondContact O-CA 3.3Å; K322-E351 HydrophobicContact CD-CB 4.28Å; K322-E351 WeakPolarHBondContact CE-OE2 3.43Å; K322-E351 HydrophobicContact CG-CB 4.42Å; K322-E351 IonicContact NZ-OE2 3.19Å; K322-E351 PolarHBondContact NZ-OE2 3.36Å; K322-E351 PolarHBondContact O-N 2.81Å
323	R	97.1	Very high	95.8	Very high	114 Å²	114	27.3 Å²	27.3	43%	0.43	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.7	179	-77.8	172.1	68.2	105.8	-11.8	110	E351 F353 T418	R323-E351 CarbonylContact C-O 3.53Å; R323-E351 VanDerWaalsContact CA-O 3.28Å; R323-E351 WeakPolarHBondContact CA-O 3.41Å; R323-E351 VanDerWaalsContact CD-OE1 3.31Å; R323-E351 WeakPolarHBondContact CD-OE1 3.19Å; R323-E351 HydrophobicContact CG-CB 4.03Å; R323-E351 HydrophobicContact CG-CG 4.09Å; R323-E351 VanDerWaalsContact CG-OE1 3.24Å; R323-E351 WeakPolarHBondContact CG-OE1 3.37Å; R323-E351 IonicContact CZ-OE1 3.57Å; R323-E351 IonicContact NE-OE1 2.76Å; R323-E351 IonicContact NH1-OE1 2.74Å; R323-E351 PolarHBondContact NH1-OE1 3.09Å; R323-F353 HydrophobicContact CB-CD1 3.82Å; R323-F353 HydrophobicContact CB-CE1 4.35Å; R323-F353 HydrophobicContact CB-CG 4.48Å; R323-F353 VanDerWaalsContact CZ-CB 3.48Å; R323-T418 PolarHBondContact O-OG1 2.77Å
324	R	97.9	Very high	95.3	Very high	35 Å²	35	29 Å²	29	13%	0.132	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.5	-177.2	-63.7	-168.3	-173.1	-156	-0.6	112.3	L317 V318 G319 T320 G321 I350 E351 F353	L317-R324 HydrophobicContact CD2-CB 4.33Å; V318-R324 WeakPolarHBondContact O-CA 3.29Å; V318-R324 VanDerWaalsContact O-CB 3.29Å; V318-R324 WeakPolarHBondContact O-CB 3.36Å; G319-R324 WeakPolarHBondContact O-CD 3.48Å; G319-R324 PolarHBondContact O-NE 3.4Å; G319-R324 PolarHBondContact O-NH1 2.68Å; G319-R324 PolarHBondContact O-NH2 3.05Å; T320-R324 PolarHBondContact O-NH2 3.48Å; G321-R324 PolarHBondContact O-NE 2.86Å; R324-I350 HydrophobicContact CB-CG2 3.93Å; R324-I350 HydrophobicContact CG-CG2 4.01Å; R324-E351 PolarHBondContact N-O 3.36Å; R324-F353 VanDerWaalsContact O-CD1 3.25Å; R324-F353 WeakPolarHBondContact O-CD1 3.19Å; R324-F353 PolarHBondContact O-N 3.06Å
325	I	98.5	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.4	174.3	-55	167.8	0	0	0	107.5	L317 V318 F353 T354 I356 V416 T418 L423	L317-I325 WeakPolarHBondContact CA-O 3.34Å; V318-I325 HydrophobicContact CB-CB 4.49Å; V318-I325 PolarHBondContact N-O 3.36Å; V318-I325 PolarHBondContact O-N 3.22Å; I325-F353 HydrophobicContact CG1-CE1 3.77Å; I325-F353 HydrophobicContact CG1-CZ 3.86Å; I325-T354 WeakPolarHBondContact CA-O 3.39Å; I325-I356 HydrophobicContact CG2-CD1 3.72Å; I325-I356 HydrophobicContact CG2-CG1 3.92Å; I325-V416 HydrophobicContact CD1-CB 4.21Å; I325-V416 HydrophobicContact CD1-CG1 3.7Å; I325-V416 HydrophobicContact CG1-CG1 4.29Å; I325-T418 HydrophobicContact CD1-CG2 4.39Å; I325-T418 HydrophobicContact CG1-CG2 4.35Å; I325-L423 HydrophobicContact CB-CD1 4.46Å; I325-L423 HydrophobicContact CD1-CD1 3.84Å; I325-L423 HydrophobicContact CD1-CG 4.15Å; I325-L423 HydrophobicContact CG2-CD1 4.2Å
326	L	98.4	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.2	168	-171.5	73	0	0	0	109.1	I315 Y316 L317 T329 L341 I352 T354 I355 I356 V371	I315-L326 HydrophobicContact CG2-CD1 3.72Å; I315-L326 HydrophobicContact CG2-CG 4.3Å; Y316-L326 CarbonylContact O-C 3.52Å; Y316-L326 WeakPolarHBondContact O-CA 3.38Å; L317-L326 HydrophobicContact CD2-CB 4.3Å; L317-L326 HydrophobicContact CD2-CD1 3.69Å; L317-L326 HydrophobicContact CG-CD1 3.81Å; L326-T329 HydrophobicContact CD2-CG2 4.3Å; L326-L341 HydrophobicContact CD1-CD1 4.34Å; L326-I352 HydrophobicContact CB-CD1 4.26Å; L326-I352 HydrophobicContact CB-CG2 3.97Å; L326-I352 HydrophobicContact CD1-CD1 4.3Å; L326-I352 HydrophobicContact CD2-CD1 4.24Å; L326-T354 PolarHBondContact N-O 2.93Å; L326-I355 HydrophobicContact CB-CG1 4.24Å; L326-I355 HydrophobicContact CD2-CD1 4.41Å; L326-I355 HydrophobicContact CD2-CG1 4.24Å; L326-I355 HydrophobicContact CD2-CG2 4.36Å; L326-I355 CarbonylContact O-C 3.57Å; L326-I355 WeakPolarHBondContact O-CA 3.21Å; L326-I356 PolarHBondContact O-N 2.97Å; L326-V371 HydrophobicContact CD2-CG1 3.87Å
327	V	98.5	Very high	94.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.8	173	-172.2	0	0	0	0	108.8	I315 Y316 V318 I356 T358 L423 L438	I315-V327 WeakPolarHBondContact CA-O 3.29Å; Y316-V327 PolarHBondContact N-O 3.05Å; Y316-V327 PolarHBondContact O-N 3.16Å; V318-V327 HydrophobicContact CG2-CG2 4.11Å; V327-I356 WeakPolarHBondContact CA-O 3.25Å; V327-T358 HydrophobicContact CG1-CG2 4Å; V327-L423 HydrophobicContact CG2-CD1 4.28Å; V327-L438 HydrophobicContact CB-CD1 4.5Å; V327-L438 HydrophobicContact CG1-CD1 3.86Å; V327-L438 HydrophobicContact CG2-CD1 3.76Å
328	D	98	Very high	93.9	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	21%	0.21	C	C	.	.			trans	56.7	169.6	-171.3	-66.3	-32.9	0	0	0	115.2	I315 I356 C357 T358 H364	I315-D328 WeakPolarHBondContact CG2-O 3.47Å; D328-I356 PolarHBondContact N-O 2.89Å; D328-C357 VanDerWaalsContact OD1-CA 3.3Å; D328-C357 WeakPolarHBondContact OD1-CA 3.31Å; D328-T358 PolarHBondContact OD1-N 2.91Å; D328-T358 PolarHBondContact OD1-OG1 2.92Å; D328-T358 WeakPolarHBondContact OD2-CG2 3.46Å; D328-T358 PolarHBondContact OD2-OG1 3.04Å; D328-H364 HydrophobicContact CB-CB 4.26Å; D328-H364 VanDerWaalsContact CG-ND1 3.33Å; D328-H364 IonicContact OD1-ND1 2.87Å; D328-H364 IonicContact OD2-CE1 2.7Å; D328-H364 IonicContact OD2-CG 2.69Å; D328-H364 IonicContact OD2-ND1 3.15Å; D328-H364 PolarHBondContact OD2-ND1 2.76Å
329	T	96.4	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.			trans	-136.3	-1.5	-169.3	62.8	0	0	0	0	115.4	L326 Y337 I355 H364 G367 V368 V371	L326-T329 HydrophobicContact CD2-CG2 4.3Å; T329-Y337 VanDerWaalsContact O-CE1 3.25Å; T329-Y337 WeakPolarHBondContact O-CE1 3.35Å; T329-Y337 PolarHBondContact O-OH 3.38Å; T329-I355 HydrophobicContact CG2-CG2 3.63Å; T329-H364 PolarHBondContact N-O 3.13Å; T329-H364 PolarHBondContact OG1-O 2.85Å; T329-G367 WeakPolarHBondContact O-CA 3.25Å; T329-G367 PolarHBondContact OG1-N 3.06Å; T329-V368 HydrophobicContact CG2-CG2 3.76Å; T329-V368 PolarHBondContact OG1-N 3.04Å; T329-V368 VanDerWaalsContact OG1-N 3.16Å; T329-V371 HydrophobicContact CG2-CG2 4.41Å
330	G	93.7	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.			trans	74	-165.5	-177.3	0	0	0	0	0	113.4	D363 G366 G367	G330-D363 CarbonylContact C-O 3.57Å; G330-D363 WeakPolarHBondContact CA-O 3.19Å; G330-D363 CarbonylContact O-C 3.57Å; G330-G366 PolarHBondContact O-N 3.15Å; G330-G367 PolarHBondContact O-N 3.14Å
331	V	91.1	Very high	93.4	Very high	45 Å²	45	38.7 Å²	38.7	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-80.2	158.1	174.1	-64.7	0	0	0	0	112.1	N304 D334 L362 D363	N304-V331 HydrophobicContact CB-CG1 4.12Å; N304-V331 HydrophobicContact CB-CG2 3.83Å; V331-D334 HydrophobicContact CG2-CB 4.23Å; V331-L362 WeakPolarHBondContact CA-O 3.49Å; V331-D363 HydrophobicContact CG1-CB 3.98Å
332	A	88.2	Confident	93.5	Very high	47 Å²	47	42.3 Å²	42.3	39%	0.388	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	147.2	175.3	0	0	0	0	0	112.2	D334 G366 D370	A332-D334 VanDerWaalsContact C-N 3.33Å; A332-D334 PolarHBondContact O-N 2.87Å; A332-G366 WeakPolarHBondContact CB-O 3.21Å; A332-D370 WeakPolarHBondContact CA-OD2 3.37Å
333	N	83.6	Confident	93.4	Very high	130 Å²	130	41.9 Å²	41.9	70%	0.695	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	15	174.2	-53.7	-90.7	0	0	0	117.6	A335 D370	N333-A335 PolarHBondContact O-N 3.2Å; N333-D370 PolarHBondContact N-OD2 3.35Å
334	D	85.4	Confident	93.3	Very high	35 Å²	35	37.6 Å²	37.6	19%	0.187	21%	0.209	C	C	.	.			trans	-72.9	95.6	171.7	-166.2	-64	0	0	0	111.2	V331 A332 D336 Y337 L338	V331-D334 HydrophobicContact CG2-CB 4.23Å; A332-D334 VanDerWaalsContact C-N 3.33Å; A332-D334 PolarHBondContact O-N 2.87Å; D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 3.08Å; D334-D336 PolarHBondContact OD1-N 3.43Å; D334-D336 VanDerWaalsContact OD1-N 3.16Å; D334-Y337 WeakPolarHBondContact OD1-CB 3.24Å; D334-Y337 PolarHBondContact OD1-N 3.5Å; D334-L338 WeakPolarHBondContact O-CB 3.36Å; D334-L338 VanDerWaalsContact O-CD1 3.31Å; D334-L338 WeakPolarHBondContact O-CD1 3.49Å; D334-L338 WeakPolarHBondContact O-CG 3.25Å; D334-L338 PolarHBondContact O-N 3Å
335	A	87.6	Confident	93.2	Very high	73 Å²	73	36 Å²	36	60%	0.603	20%	0.203	S	C	*	.	H	α-helix	trans	-64.3	-28.5	-174.6	0	0	0	0	0	113.6	N333 N339	N333-A335 PolarHBondContact O-N 3.2Å; A335-N339 WeakPolarHBondContact O-CB 3.21Å; A335-N339 PolarHBondContact O-N 3Å; A335-N339 VanDerWaalsContact O-N 3.08Å
336	D	88.9	Confident	93	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-77.4	-47.1	-178.9	-87	7.5	0	0	0	110.8	R303 D334 L338 N339 D340	R303-D336 IonicContact CZ-OD2 2.71Å; R303-D336 IonicContact NH1-OD2 3.04Å; R303-D336 PolarHBondContact NH1-OD2 2.7Å; D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 3.08Å; D334-D336 PolarHBondContact OD1-N 3.43Å; D334-D336 VanDerWaalsContact OD1-N 3.16Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 3.06Å; D336-N339 WeakPolarHBondContact O-CB 3.31Å; D336-N339 PolarHBondContact O-N 3.46Å; D336-D340 PolarHBondContact O-N 3.21Å
337	Y	93.2	Very high	92.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-44.3	173.3	153.4	-106.3	0	0	0	111	L300 I315 T329 D334 N339 D340 L341 V371	L300-Y337 HydrophobicContact CB-CE2 4.42Å; I315-Y337 HydrophobicContact CB-CE2 4.39Å; I315-Y337 HydrophobicContact CD1-CD2 4.01Å; I315-Y337 HydrophobicContact CD1-CE1 4.26Å; I315-Y337 HydrophobicContact CD1-CE2 3.43Å; I315-Y337 VanDerWaalsContact CD1-CE2 3.43Å; I315-Y337 HydrophobicContact CG1-CE2 4.49Å; I315-Y337 HydrophobicContact CG2-CE2 4.19Å; T329-Y337 VanDerWaalsContact O-CE1 3.25Å; T329-Y337 WeakPolarHBondContact O-CE1 3.35Å; T329-Y337 PolarHBondContact O-OH 3.38Å; D334-Y337 WeakPolarHBondContact OD1-CB 3.24Å; D334-Y337 PolarHBondContact OD1-N 3.5Å; Y337-N339 VanDerWaalsContact C-N 3.26Å; Y337-N339 PolarHBondContact O-N 2.77Å; Y337-D340 PolarHBondContact O-N 2.68Å; Y337-L341 HydrophobicContact CE2-CB 4.29Å; Y337-L341 VanDerWaalsContact O-CB 3.31Å; Y337-L341 WeakPolarHBondContact O-CB 3.49Å; Y337-L341 PolarHBondContact O-N 2.83Å; Y337-V371 HydrophobicContact CE1-CG2 4.27Å
338	L	94.5	Very high	92.4	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.12	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-32.7	177.7	-69.2	166	0	0	0	112	D334 D336 K342 D370 V371 V374	D334-L338 WeakPolarHBondContact O-CB 3.36Å; D334-L338 VanDerWaalsContact O-CD1 3.31Å; D334-L338 WeakPolarHBondContact O-CD1 3.49Å; D334-L338 WeakPolarHBondContact O-CG 3.25Å; D334-L338 PolarHBondContact O-N 3Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 3.06Å; L338-K342 VanDerWaalsContact O-CB 3.28Å; L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 PolarHBondContact O-N 2.81Å; L338-D370 HydrophobicContact CD1-CB 3.65Å; L338-D370 HydrophobicContact CD2-CB 3.81Å; L338-D370 HydrophobicContact CG-CB 4.39Å; L338-V371 HydrophobicContact CD2-CG2 4.09Å; L338-V374 HydrophobicContact CB-CG2 4.15Å; L338-V374 HydrophobicContact CD2-CG2 3.99Å
339	N	93.7	Very high	92.3	Very high	67 Å²	67	53.9 Å²	53.9	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-70.1	-48.3	170.7	167.8	80.5	0	0	0	112.2	A335 D336 Y337 L341 K342 Q343	A335-N339 WeakPolarHBondContact O-CB 3.21Å; A335-N339 PolarHBondContact O-N 3Å; A335-N339 VanDerWaalsContact O-N 3.08Å; D336-N339 WeakPolarHBondContact O-CB 3.31Å; D336-N339 PolarHBondContact O-N 3.46Å; Y337-N339 VanDerWaalsContact C-N 3.26Å; Y337-N339 PolarHBondContact O-N 2.77Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 2.83Å; N339-K342 PolarHBondContact O-N 3.06Å; N339-K342 VanDerWaalsContact O-N 3.16Å; N339-Q343 PolarHBondContact ND2-NE2 2.87Å; N339-Q343 WeakPolarHBondContact O-CG 3.44Å; N339-Q343 PolarHBondContact O-N 2.79Å; N339-Q343 PolarHBondContact OD1-NE2 2.88Å
340	D	92.2	Very high	92.3	Very high	24 Å²	24	54 Å²	54	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-45	178.3	-72.3	-8.7	0	0	0	110.8	V290 R303 D336 Y337 Q343 L344	V290-D340 HydrophobicContact CG2-CB 4.47Å; R303-D340 IonicContact CZ-OD1 2.68Å; R303-D340 IonicContact CZ-OD2 2.71Å; R303-D340 IonicContact NE-OD2 3.67Å; R303-D340 PolarHBondContact NE-OD2 2.97Å; R303-D340 VanDerWaalsContact NH2-CG 3.27Å; R303-D340 IonicContact NH2-OD1 3.69Å; R303-D340 PolarHBondContact NH2-OD1 3.47Å; R303-D340 VanDerWaalsContact NH2-OD1 3.09Å; R303-D340 IonicContact NH2-OD2 3.84Å; R303-D340 PolarHBondContact NH2-OD2 3.17Å; D336-D340 PolarHBondContact O-N 3.21Å; Y337-D340 PolarHBondContact O-N 2.68Å; D340-Q343 PolarHBondContact O-N 3.37Å; D340-L344 WeakPolarHBondContact O-CB 3.32Å; D340-L344 PolarHBondContact O-N 3.37Å
341	L	95.3	Very high	92.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-50.1	174.2	-178.7	67.3	0	0	0	111.5	L300 L317 L326 Y337 N339 Q343 L344 I345 V371	L300-L341 HydrophobicContact CD1-CD1 4.18Å; L300-L341 HydrophobicContact CD2-CB 3.99Å; L300-L341 HydrophobicContact CD2-CD1 3.95Å; L317-L341 HydrophobicContact CD1-CD1 4.28Å; L326-L341 HydrophobicContact CD1-CD1 4.34Å; Y337-L341 HydrophobicContact CE2-CB 4.29Å; Y337-L341 VanDerWaalsContact O-CB 3.31Å; Y337-L341 WeakPolarHBondContact O-CB 3.49Å; Y337-L341 PolarHBondContact O-N 2.83Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 2.83Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.46Å; L341-L344 PolarHBondContact O-N 2.91Å; L341-I345 HydrophobicContact CD1-CD1 3.86Å; L341-I345 HydrophobicContact CD1-CG1 4.24Å; L341-I345 HydrophobicContact CD2-CD1 4.4Å; L341-I345 HydrophobicContact CG-CD1 3.71Å; L341-I345 HydrophobicContact CG-CG1 4.44Å; L341-I345 WeakPolarHBondContact O-CB 3.38Å; L341-I345 WeakPolarHBondContact O-CG1 3.41Å; L341-I345 PolarHBondContact O-N 2.8Å; L341-V371 HydrophobicContact CD2-CG1 4.08Å; L341-V371 HydrophobicContact CD2-CG2 3.87Å
342	K	95.8	Very high	92.8	Very high	94 Å²	94	53.2 Å²	53.2	41%	0.409	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-45.9	178.2	-176	-174.7	176.9	-174.8	0	111.7	L338 N339 I345 V346 V374 I378	L338-K342 VanDerWaalsContact O-CB 3.28Å; L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 PolarHBondContact O-N 2.81Å; N339-K342 PolarHBondContact O-N 3.06Å; N339-K342 VanDerWaalsContact O-N 3.16Å; K342-I345 PolarHBondContact O-N 2.85Å; K342-V346 WeakPolarHBondContact O-CB 3.41Å; K342-V346 WeakPolarHBondContact O-CG2 3.38Å; K342-V346 PolarHBondContact O-N 2.84Å; K342-V374 HydrophobicContact CB-CG1 3.85Å; K342-V374 HydrophobicContact CG-CG1 4.16Å; K342-I378 HydrophobicContact CD-CG2 4.32Å; K342-I378 HydrophobicContact CG-CG2 4.02Å
343	Q	94.4	Very high	93.2	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-45.5	179.3	-69.4	-172.7	25.8	0	0	111.2	N339 D340 L341 I345 V346 N347	N339-Q343 PolarHBondContact ND2-NE2 2.87Å; N339-Q343 WeakPolarHBondContact O-CG 3.44Å; N339-Q343 PolarHBondContact O-N 2.79Å; N339-Q343 PolarHBondContact OD1-NE2 2.88Å; D340-Q343 PolarHBondContact O-N 3.37Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.46Å; Q343-I345 PolarHBondContact O-N 2.87Å; Q343-V346 PolarHBondContact O-N 3.41Å; Q343-N347 WeakPolarHBondContact O-CB 3.42Å; Q343-N347 PolarHBondContact O-N 3.01Å; Q343-N347 PolarHBondContact O-ND2 3.41Å
344	L	93.6	Very high	93.8	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-43.9	177.4	-177.7	63.2	0	0	0	112.1	V290 L298 L300 L317 D340 L341 S348	V290-L344 HydrophobicContact CG1-CD1 4.15Å; V290-L344 HydrophobicContact CG1-CD2 3.92Å; L298-L344 HydrophobicContact CD1-CD1 4.28Å; L298-L344 HydrophobicContact CD1-CD2 4.35Å; L300-L344 HydrophobicContact CD1-CD2 3.88Å; L300-L344 HydrophobicContact CD2-CD2 3.9Å; L300-L344 HydrophobicContact CG-CD2 3.94Å; L317-L344 HydrophobicContact CD1-CD2 3.9Å; L317-L344 HydrophobicContact CD1-CG 4.46Å; D340-L344 WeakPolarHBondContact O-CB 3.32Å; D340-L344 PolarHBondContact O-N 3.37Å; L341-L344 PolarHBondContact O-N 2.91Å; L344-S348 WeakPolarHBondContact O-CB 3.23Å; L344-S348 PolarHBondContact O-N 3.33Å; L344-S348 VanDerWaalsContact O-N 3.15Å; L344-S348 PolarHBondContact O-OG 3.28Å
345	I	95.4	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-51	178.7	-69.6	167.6	0	0	0	111	L341 K342 Q343 N349 I350 I352 L375 I378	L341-I345 HydrophobicContact CD1-CD1 3.86Å; L341-I345 HydrophobicContact CD1-CG1 4.24Å; L341-I345 HydrophobicContact CD2-CD1 4.4Å; L341-I345 HydrophobicContact CG-CD1 3.71Å; L341-I345 HydrophobicContact CG-CG1 4.44Å; L341-I345 WeakPolarHBondContact O-CB 3.38Å; L341-I345 WeakPolarHBondContact O-CG1 3.41Å; L341-I345 PolarHBondContact O-N 2.8Å; K342-I345 PolarHBondContact O-N 2.85Å; Q343-I345 PolarHBondContact O-N 2.87Å; I345-N349 PolarHBondContact O-N 3.31Å; I345-N349 VanDerWaalsContact O-N 3.14Å; I345-I350 VanDerWaalsContact CG2-O 3.31Å; I345-I350 WeakPolarHBondContact CG2-O 3.47Å; I345-I350 PolarHBondContact O-N 2.98Å; I345-I352 HydrophobicContact CD1-CD1 3.56Å; I345-I352 HydrophobicContact CD1-CG1 4.19Å; I345-I352 HydrophobicContact CG1-CD1 4.21Å; I345-L375 HydrophobicContact CD1-CD2 4Å; I345-I378 HydrophobicContact CB-CD1 4.42Å; I345-I378 HydrophobicContact CG2-CD1 3.61Å
346	V	94.7	Very high	94.9	Very high	81 Å²	81	41.6 Å²	41.6	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-66.8	-50.1	-176.9	171.4	0	0	0	0	111.2	K342 Q343 S348 N349 I378	K342-V346 WeakPolarHBondContact O-CB 3.41Å; K342-V346 WeakPolarHBondContact O-CG2 3.38Å; K342-V346 PolarHBondContact O-N 2.84Å; Q343-V346 PolarHBondContact O-N 3.41Å; V346-S348 PolarHBondContact O-N 3.18Å; V346-N349 PolarHBondContact O-N 3.27Å; V346-I378 HydrophobicContact CG2-CD1 4.41Å; V346-I378 HydrophobicContact CG2-CG2 4.24Å
347	N	93.2	Very high	95.3	Very high	132 Å²	132	37.3 Å²	37.3	71%	0.706	20%	0.197	S	C	*	.	H	α-helix	trans	-66.2	-26.4	-176.2	-63.8	-11.2	0	0	0	112.6	Q343	Q343-N347 WeakPolarHBondContact O-CB 3.42Å; Q343-N347 PolarHBondContact O-N 3.01Å; Q343-N347 PolarHBondContact O-ND2 3.41Å
348	S	92.2	Very high	95.5	Very high	58 Å²	58	37.4 Å²	37.4	41%	0.406	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.2	-179.8	-44.1	0	0	0	0	113.9	L344 V346 I350	L344-S348 WeakPolarHBondContact O-CB 3.23Å; L344-S348 PolarHBondContact O-N 3.33Å; L344-S348 VanDerWaalsContact O-N 3.15Å; L344-S348 PolarHBondContact O-OG 3.28Å; V346-S348 PolarHBondContact O-N 3.18Å; S348-I350 PolarHBondContact O-N 3.46Å
349	N	94.3	Very high	95.5	Very high	112 Å²	112	36.3 Å²	36.3	60%	0.599	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.9	-172	-170.5	16.2	0	0	0	113	K322 I345 V346	K322-N349 WeakPolarHBondContact CE-OD1 3.28Å; K322-N349 WeakPolarHBondContact CG-O 3.36Å; I345-N349 PolarHBondContact O-N 3.31Å; I345-N349 VanDerWaalsContact O-N 3.14Å; V346-N349 PolarHBondContact O-N 3.27Å
350	I	96.5	Very high	95.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	18%	0.177	C	C	.	.			trans	-84.3	145.5	179	-69.5	165.4	0	0	0	109.8	L298 L317 K322 R324 I345 S348 I352 Q380	L298-I350 HydrophobicContact CD1-CD1 4.19Å; L317-I350 HydrophobicContact CD1-CD1 4.33Å; L317-I350 HydrophobicContact CD2-CG2 4.48Å; K322-I350 CarbonylContact O-C 3.17Å; K322-I350 WeakPolarHBondContact O-CA 3.3Å; R324-I350 HydrophobicContact CB-CG2 3.93Å; R324-I350 HydrophobicContact CG-CG2 4.01Å; I345-I350 VanDerWaalsContact CG2-O 3.31Å; I345-I350 WeakPolarHBondContact CG2-O 3.47Å; I345-I350 PolarHBondContact O-N 2.98Å; S348-I350 PolarHBondContact O-N 3.46Å; I350-I352 HydrophobicContact CG2-CG1 4.46Å; I350-Q380 PolarHBondContact O-NE2 2.98Å
351	E	97.5	Very high	95.2	Very high	27 Å²	27	35.2 Å²	35.2	13%	0.126	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.4	173.1	-176.6	-178.4	122.1	0	0	109	K322 R323 R324 F353	K322-E351 HydrophobicContact CD-CB 4.28Å; K322-E351 WeakPolarHBondContact CE-OE2 3.43Å; K322-E351 HydrophobicContact CG-CB 4.42Å; K322-E351 IonicContact NZ-OE2 3.19Å; K322-E351 PolarHBondContact NZ-OE2 3.36Å; K322-E351 PolarHBondContact O-N 2.81Å; R323-E351 CarbonylContact C-O 3.53Å; R323-E351 VanDerWaalsContact CA-O 3.28Å; R323-E351 WeakPolarHBondContact CA-O 3.41Å; R323-E351 VanDerWaalsContact CD-OE1 3.31Å; R323-E351 WeakPolarHBondContact CD-OE1 3.19Å; R323-E351 HydrophobicContact CG-CB 4.03Å; R323-E351 HydrophobicContact CG-CG 4.09Å; R323-E351 VanDerWaalsContact CG-OE1 3.24Å; R323-E351 WeakPolarHBondContact CG-OE1 3.37Å; R323-E351 IonicContact CZ-OE1 3.57Å; R323-E351 IonicContact NE-OE1 2.76Å; R323-E351 IonicContact NH1-OE1 2.74Å; R323-E351 PolarHBondContact NH1-OE1 3.09Å; R324-E351 PolarHBondContact N-O 3.36Å; E351-F353 PolarHBondContact O-N 3.26Å
352	I	97.8	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.4	176.4	-58.6	-174.1	0	0	0	107.8	L317 L326 I345 I350 I355 L375 P383	L317-I352 HydrophobicContact CD2-CD1 3.79Å; L317-I352 HydrophobicContact CD2-CG1 3.92Å; L326-I352 HydrophobicContact CB-CD1 4.26Å; L326-I352 HydrophobicContact CB-CG2 3.97Å; L326-I352 HydrophobicContact CD1-CD1 4.3Å; L326-I352 HydrophobicContact CD2-CD1 4.24Å; I345-I352 HydrophobicContact CD1-CD1 3.56Å; I345-I352 HydrophobicContact CD1-CG1 4.19Å; I345-I352 HydrophobicContact CG1-CD1 4.21Å; I350-I352 HydrophobicContact CG2-CG1 4.46Å; I352-I355 HydrophobicContact CG2-CG1 4Å; I352-L375 HydrophobicContact CB-CD1 4.03Å; I352-L375 HydrophobicContact CB-CD2 4.09Å; I352-L375 HydrophobicContact CD1-CD2 4.16Å; I352-L375 HydrophobicContact CG1-CD2 4.22Å; I352-L375 HydrophobicContact CG2-CD1 4.22Å; I352-P383 HydrophobicContact CG2-CB 4.41Å
353	F	96.9	Very high	94.8	Very high	36 Å²	36	36.7 Å²	36.7	16%	0.158	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-20.8	-178.6	81.5	-80.1	0	0	0	113.8	R323 R324 I325 E351 P383 S384 M417	R323-F353 HydrophobicContact CB-CD1 3.82Å; R323-F353 HydrophobicContact CB-CE1 4.35Å; R323-F353 HydrophobicContact CB-CG 4.48Å; R323-F353 VanDerWaalsContact CZ-CB 3.48Å; R324-F353 VanDerWaalsContact O-CD1 3.25Å; R324-F353 WeakPolarHBondContact O-CD1 3.19Å; R324-F353 PolarHBondContact O-N 3.06Å; I325-F353 HydrophobicContact CG1-CE1 3.77Å; I325-F353 HydrophobicContact CG1-CZ 3.86Å; E351-F353 PolarHBondContact O-N 3.26Å; F353-P383 VanDerWaalsContact C-CB 3.42Å; F353-P383 CarbonylContact O-C 3.55Å; F353-P383 VanDerWaalsContact O-CA 3.22Å; F353-P383 WeakPolarHBondContact O-CA 3.42Å; F353-P383 VanDerWaalsContact O-CB 3.3Å; F353-P383 WeakPolarHBondContact O-CB 3.4Å; F353-S384 PolarHBondContact O-N 3.03Å; F353-M417 WeakPolarHBondContact CZ-O 3.41Å
354	T	97.6	Very high	94.8	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.2	173.5	-58.7	0	0	0	0	109.8	I325 L326 I356 S384 M386 V416	I325-T354 WeakPolarHBondContact CA-O 3.39Å; L326-T354 PolarHBondContact N-O 2.93Å; T354-I356 HydrophobicContact CG2-CG1 3.93Å; T354-S384 CarbonylContact C-O 3.59Å; T354-S384 VanDerWaalsContact CA-O 3.32Å; T354-S384 WeakPolarHBondContact CA-O 3.48Å; T354-M386 HydrophobicContact CG2-CE 3.9Å; T354-M386 HydrophobicContact CG2-CG 3.95Å; T354-M386 HydrophobicContact CG2-SD 3.84Å; T354-V416 HydrophobicContact CG2-CG1 4.33Å
355	I	98	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.9	165.9	-56.3	177.9	0	0	0	107.3	L326 T329 I352 V371 L372 P383 S384 V385 M386	L326-I355 HydrophobicContact CB-CG1 4.24Å; L326-I355 HydrophobicContact CD2-CD1 4.41Å; L326-I355 HydrophobicContact CD2-CG1 4.24Å; L326-I355 HydrophobicContact CD2-CG2 4.36Å; L326-I355 CarbonylContact O-C 3.57Å; L326-I355 WeakPolarHBondContact O-CA 3.21Å; T329-I355 HydrophobicContact CG2-CG2 3.63Å; I352-I355 HydrophobicContact CG2-CG1 4Å; I355-V371 HydrophobicContact CD1-CG1 3.83Å; I355-L372 HydrophobicContact CD1-CD2 4.36Å; I355-P383 HydrophobicContact CD1-CG 3.87Å; I355-P383 HydrophobicContact CG1-CB 4.32Å; I355-P383 HydrophobicContact CG1-CG 3.99Å; I355-S384 PolarHBondContact N-O 2.84Å; I355-V385 HydrophobicContact CB-CG1 4.3Å; I355-V385 HydrophobicContact CB-CG2 4.34Å; I355-V385 HydrophobicContact CD1-CG2 4.27Å; I355-V385 HydrophobicContact CG2-CG1 4.49Å; I355-M386 PolarHBondContact O-N 2.84Å
356	I	98.1	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.7	176.5	-61.3	-178.7	0	0	0	108.6	I325 L326 V327 D328 T354 M386 L410 V416 L438	I325-I356 HydrophobicContact CG2-CD1 3.72Å; I325-I356 HydrophobicContact CG2-CG1 3.92Å; L326-I356 PolarHBondContact O-N 2.97Å; V327-I356 WeakPolarHBondContact CA-O 3.25Å; D328-I356 PolarHBondContact N-O 2.89Å; T354-I356 HydrophobicContact CG2-CG1 3.93Å; I356-M386 WeakPolarHBondContact CA-O 3.2Å; I356-L410 HydrophobicContact CG2-CD1 3.95Å; I356-V416 HydrophobicContact CD1-CB 4.25Å; I356-V416 HydrophobicContact CD1-CG1 4.36Å; I356-V416 HydrophobicContact CD1-CG2 4.07Å; I356-L438 HydrophobicContact CB-CD1 4.33Å; I356-L438 HydrophobicContact CD1-CD1 4.12Å; I356-L438 HydrophobicContact CG2-CD1 3.8Å; I356-L438 HydrophobicContact CG2-CD2 4.1Å
357	C	96.7	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.2	170.9	-67.4	0	0	0	0	110.6	D328 T365 M386 K387	D328-C357 VanDerWaalsContact OD1-CA 3.3Å; D328-C357 WeakPolarHBondContact OD1-CA 3.31Å; C357-T365 HydrophobicContact CB-CG2 4.03Å; C357-M386 PolarHBondContact N-O 3.41Å; C357-K387 HydrophobicContact CB-CB 4.37Å; C357-K387 HydrophobicContact CB-CD 4.42Å; C357-K387 HydrophobicContact CB-CG 4.12Å
358	T	97.4	Very high	94.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.119	C	C	.	.	S	Bend	trans	-69.3	-39.1	-177.6	54.7	0	0	0	0	112.7	V327 D328 H435 V436	V327-T358 HydrophobicContact CG1-CG2 4Å; D328-T358 PolarHBondContact OD1-N 2.91Å; D328-T358 PolarHBondContact OD1-OG1 2.92Å; D328-T358 WeakPolarHBondContact OD2-CG2 3.46Å; D328-T358 PolarHBondContact OD2-OG1 3.04Å; T358-H435 CarbonylContact O-C 3.52Å; T358-H435 WeakPolarHBondContact O-CA 3.3Å; T358-V436 WeakPolarHBondContact O-CG2 3.39Å; T358-V436 PolarHBondContact O-N 3.12Å
359	H	93.8	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-160.9	-176.2	178.4	65.7	-66.3	0	0	0	110.5	H361 H364 T365 H431 T432 H435	H359-H361 AromaticContact CD2-CE1 3.99Å; H359-H361 AromaticContact CD2-CG 3.62Å; H359-H361 AromaticContact CD2-ND1 3.16Å; H359-H361 PolarHBondContact CD2-ND1 3.29Å; H359-H361 AromaticContact NE2-CG 3.53Å; H359-H361 AromaticContact NE2-ND1 2.93Å; H359-H361 PolarHBondContact NE2-ND1 2.96Å; H359-H364 AromaticContact CE1-CD2 3.24Å; H359-H364 PolarHBondContact CE1-CD2 3.38Å; H359-H364 AromaticContact CE1-CE1 3.67Å; H359-H364 AromaticContact CE1-CG 3.44Å; H359-H364 VanDerWaalsContact CE1-CG 3.44Å; H359-H364 AromaticContact CE1-ND1 3.69Å; H359-H364 AromaticContact CE1-NE2 3.41Å; H359-H364 PolarHBondContact CE1-NE2 2.9Å; H359-H364 AromaticContact ND1-CG 3.83Å; H359-H364 AromaticContact NE2-CD2 3.78Å; H359-T365 WeakPolarHBondContact O-CG2 3.5Å; H359-H431 AromaticContact CD2-CD2 3.6Å; H359-H431 AromaticContact CD2-NE2 3.74Å; H359-H431 AromaticContact NE2-CD2 3.61Å; H359-H431 AromaticContact NE2-NE2 3.32Å; H359-H431 PolarHBondContact NE2-NE2 3.48Å; H359-T432 WeakPolarHBondContact CB-OG1 3.42Å; H359-H435 HydrophobicContact CB-CB 4.2Å; H359-H435 AromaticContact CG-CD2 3.82Å; H359-H435 AromaticContact ND1-CD2 3.84Å
360	W	89.9	Confident	94.6	Very high	17 Å²	17	20.4 Å²	20.4	6%	0.064	10%	0.102	C	C	.	.	S	Bend	trans	-83.7	-13.9	-169.9	67.1	-100.9	0	0	0	117.5	T365 D396 N398 W399 P400 L403 T432 D434	W360-T365 PolarHBondContact O-OG1 3.35Å; W360-D396 HydrophobicContact CZ2-CB 4.48Å; W360-D396 PolarHBondContact NE1-OD2 3.39Å; W360-D396 VanDerWaalsContact NE1-OD2 3.17Å; W360-N398 HydrophobicContact CH2-CB 3.83Å; W360-N398 WeakPolarHBondContact CH2-O 3.31Å; W360-N398 HydrophobicContact CZ2-CB 4.36Å; W360-W399 HydrophobicContact CB-CE3 3.84Å; W360-W399 HydrophobicContact CB-CH2 3.97Å; W360-W399 HydrophobicContact CB-CZ3 3.31Å; W360-W399 AromaticContact CD1-CE3 3.71Å; W360-W399 AromaticContact CD1-CZ3 3.75Å; W360-W399 HydrophobicContact CD2-CE3 4.09Å; W360-W399 HydrophobicContact CD2-CZ3 4.48Å; W360-W399 AromaticContact CG-CE3 3.62Å; W360-W399 HydrophobicContact CG-CE3 3.62Å; W360-W399 AromaticContact CG-CZ3 3.58Å; W360-W399 HydrophobicContact CG-CZ3 3.58Å; W360-P400 VanDerWaalsContact CE3-CD 3.49Å; W360-P400 HydrophobicContact CE3-CG 4.08Å; W360-P400 VanDerWaalsContact CZ3-CD 3.44Å; W360-P400 HydrophobicContact CZ3-CG 3.81Å; W360-L403 WeakPolarHBondContact O-CD1 3.41Å; W360-T432 HydrophobicContact CZ2-CG2 4.39Å; W360-D434 WeakPolarHBondContact CB-OD2 3.47Å; W360-D434 PolarHBondContact N-OD2 3.31Å
361	H	89.8	Confident	94.5	Very high	52 Å²	52	20.3 Å²	20.3	24%	0.241	10%	0.101	C	C	.	.			trans	-58.3	149	-173.7	-65.9	142.2	0	0	0	112.6	H359 D363 H364 T365 H431 T432	H359-H361 AromaticContact CD2-CE1 3.99Å; H359-H361 AromaticContact CD2-CG 3.62Å; H359-H361 AromaticContact CD2-ND1 3.16Å; H359-H361 PolarHBondContact CD2-ND1 3.29Å; H359-H361 AromaticContact NE2-CG 3.53Å; H359-H361 AromaticContact NE2-ND1 2.93Å; H359-H361 PolarHBondContact NE2-ND1 2.96Å; H361-D363 WeakPolarHBondContact CB-OD1 3.49Å; H361-D363 PolarHBondContact O-N 3.24Å; H361-H364 PolarHBondContact O-N 2.99Å; H361-T365 PolarHBondContact O-N 3.45Å; H361-T365 PolarHBondContact O-OG1 2.84Å; H361-T365 VanDerWaalsContact O-OG1 3.1Å; H361-H431 AromaticContact CE1-CD2 3.85Å; H361-H431 AromaticContact CE1-NE2 3.15Å; H361-H431 PolarHBondContact CE1-NE2 3.37Å; H361-H431 AromaticContact ND1-CD2 3.92Å; H361-H431 AromaticContact ND1-NE2 3.13Å; H361-H431 PolarHBondContact ND1-NE2 2.95Å; H361-H431 VanDerWaalsContact ND1-NE2 3.13Å; H361-T432 VanDerWaalsContact CE1-CG2 3.44Å; H361-T432 WeakPolarHBondContact CE1-CG2 3.2Å
362	L	90.3	Very high	94.5	Very high	90 Å²	90	20.4 Å²	20.4	47%	0.471	10%	0.102	S	C	.	.	H	α-helix	trans	-71.4	-16.4	-165.2	-70	172.1	0	0	0	114.1	V331 H364 G366 L403	V331-L362 WeakPolarHBondContact CA-O 3.49Å; L362-H364 VanDerWaalsContact C-N 3.33Å; L362-G366 WeakPolarHBondContact O-CA 3.37Å; L362-G366 PolarHBondContact O-N 3.06Å; L362-L403 HydrophobicContact CD2-CD1 3.89Å; L362-L403 HydrophobicContact CD2-CD2 3.76Å; L362-L403 HydrophobicContact CD2-CG 3.96Å
363	D	92	Very high	94.4	Very high	35 Å²	35	26.3 Å²	26.3	19%	0.187	13%	0.128	C	C	.	.	H	α-helix	trans	-82.8	-5.1	171	35.6	8.1	0	0	0	113.6	T309 S313 G330 V331 H361	T309-D363 HydrophobicContact CG2-CB 4.06Å; T309-D363 WeakPolarHBondContact CG2-OD2 3.14Å; S313-D363 WeakPolarHBondContact CB-O 3.28Å; S313-D363 PolarHBondContact OG-O 3.47Å; G330-D363 CarbonylContact C-O 3.57Å; G330-D363 WeakPolarHBondContact CA-O 3.19Å; G330-D363 CarbonylContact O-C 3.57Å; V331-D363 HydrophobicContact CG1-CB 3.98Å; H361-D363 WeakPolarHBondContact CB-OD1 3.49Å; H361-D363 PolarHBondContact O-N 3.24Å
364	H	94.7	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-115.4	-35.6	172.6	-63.7	-97.8	0	0	0	111.8	D328 T329 H359 H361 L362 D450 H485	D328-H364 HydrophobicContact CB-CB 4.26Å; D328-H364 VanDerWaalsContact CG-ND1 3.33Å; D328-H364 IonicContact OD1-ND1 2.87Å; D328-H364 IonicContact OD2-CE1 2.7Å; D328-H364 IonicContact OD2-CG 2.69Å; D328-H364 IonicContact OD2-ND1 3.15Å; D328-H364 PolarHBondContact OD2-ND1 2.76Å; T329-H364 PolarHBondContact N-O 3.13Å; T329-H364 PolarHBondContact OG1-O 2.85Å; H359-H364 AromaticContact CE1-CD2 3.24Å; H359-H364 PolarHBondContact CE1-CD2 3.38Å; H359-H364 AromaticContact CE1-CE1 3.67Å; H359-H364 AromaticContact CE1-CG 3.44Å; H359-H364 VanDerWaalsContact CE1-CG 3.44Å; H359-H364 AromaticContact CE1-ND1 3.69Å; H359-H364 AromaticContact CE1-NE2 3.41Å; H359-H364 PolarHBondContact CE1-NE2 2.9Å; H359-H364 AromaticContact ND1-CG 3.83Å; H359-H364 AromaticContact NE2-CD2 3.78Å; H361-H364 PolarHBondContact O-N 2.99Å; L362-H364 VanDerWaalsContact C-N 3.33Å; H364-D450 IonicContact CE1-OD1 3.37Å; H364-D450 IonicContact NE2-OD1 3.41Å; H364-H485 AromaticContact NE2-CE1 3.92Å; H364-H485 AromaticContact NE2-NE2 3.45Å; H364-H485 PolarHBondContact NE2-NE2 2.88Å
365	T	93.2	Very high	94.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-104.8	-16.1	-177.8	61.6	0	0	0	0	115.8	C357 H359 W360 H361 G367 V368	C357-T365 HydrophobicContact CB-CG2 4.03Å; H359-T365 WeakPolarHBondContact O-CG2 3.5Å; W360-T365 PolarHBondContact O-OG1 3.35Å; H361-T365 PolarHBondContact O-N 3.45Å; H361-T365 PolarHBondContact O-OG1 2.84Å; H361-T365 VanDerWaalsContact O-OG1 3.1Å; T365-G367 VanDerWaalsContact C-N 3.35Å; T365-G367 PolarHBondContact O-N 2.66Å; T365-V368 WeakPolarHBondContact O-CB 3.28Å; T365-V368 VanDerWaalsContact O-CG2 3.26Å; T365-V368 WeakPolarHBondContact O-CG2 3.38Å; T365-V368 PolarHBondContact O-N 3.19Å
366	G	90.7	Very high	94.2	Very high	15 Å²	15	32.5 Å²	32.5	16%	0.155	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-41.9	-170.2	0	0	0	0	0	112.9	G330 A332 L362 V368	G330-G366 PolarHBondContact O-N 3.15Å; A332-G366 WeakPolarHBondContact CB-O 3.21Å; L362-G366 WeakPolarHBondContact O-CA 3.37Å; L362-G366 PolarHBondContact O-N 3.06Å; G366-V368 VanDerWaalsContact C-N 3.27Å; G366-V368 PolarHBondContact O-N 3.47Å
367	G	93	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.3	-179.2	0	0	0	0	0	115.6	T329 G330 T365 K369 D370 V371	T329-G367 WeakPolarHBondContact O-CA 3.25Å; T329-G367 PolarHBondContact OG1-N 3.06Å; G330-G367 PolarHBondContact O-N 3.14Å; T365-G367 VanDerWaalsContact C-N 3.35Å; T365-G367 PolarHBondContact O-N 2.66Å; G367-K369 VanDerWaalsContact C-N 3.31Å; G367-K369 PolarHBondContact O-N 3.34Å; G367-K369 VanDerWaalsContact O-N 3.17Å; G367-D370 PolarHBondContact O-N 3.31Å; G367-V371 WeakPolarHBondContact O-CG2 3.19Å; G367-V371 PolarHBondContact O-N 2.87Å
368	V	94.5	Very high	94	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-49.6	-47.9	-175.1	167.7	0	0	0	0	112.6	T329 T365 G366 D370 L372 V385 F405 Y407	T329-V368 HydrophobicContact CG2-CG2 3.76Å; T329-V368 PolarHBondContact OG1-N 3.04Å; T329-V368 VanDerWaalsContact OG1-N 3.16Å; T365-V368 WeakPolarHBondContact O-CB 3.28Å; T365-V368 VanDerWaalsContact O-CG2 3.26Å; T365-V368 WeakPolarHBondContact O-CG2 3.38Å; T365-V368 PolarHBondContact O-N 3.19Å; G366-V368 VanDerWaalsContact C-N 3.27Å; G366-V368 PolarHBondContact O-N 3.47Å; V368-D370 VanDerWaalsContact C-N 3.33Å; V368-D370 PolarHBondContact O-N 3.48Å; V368-L372 HydrophobicContact CG1-CD1 4.02Å; V368-L372 WeakPolarHBondContact O-CB 3.37Å; V368-L372 WeakPolarHBondContact O-CD1 3.2Å; V368-L372 WeakPolarHBondContact O-CG 3.13Å; V368-L372 PolarHBondContact O-N 3.05Å; V368-L372 VanDerWaalsContact O-N 3.11Å; V368-V385 HydrophobicContact CG1-CG1 3.92Å; V368-F405 HydrophobicContact CG1-CD1 4.25Å; V368-F405 HydrophobicContact CG1-CD2 4Å; V368-F405 HydrophobicContact CG1-CE1 4.05Å; V368-F405 HydrophobicContact CG1-CE2 3.77Å; V368-F405 HydrophobicContact CG1-CG 4.24Å; V368-F405 HydrophobicContact CG1-CZ 3.81Å; V368-Y407 HydrophobicContact CG2-CE1 4.39Å
369	K	93.6	Very high	93.8	Very high	116 Å²	116	43.3 Å²	43.3	50%	0.504	23%	0.232	S	C	.	.	H	α-helix	trans	-69.2	-32.7	-178.1	-69.6	177.6	179.4	173.9	0	112.2	G367 K373 K404 F405	G367-K369 VanDerWaalsContact C-N 3.31Å; G367-K369 PolarHBondContact O-N 3.34Å; G367-K369 VanDerWaalsContact O-N 3.17Å; K369-K373 WeakPolarHBondContact O-CB 3.46Å; K369-K373 PolarHBondContact O-N 3.07Å; K369-K404 PolarHBondContact NZ-O 3.49Å; K369-F405 HydrophobicContact CG-CD2 4.18Å
370	D	93.8	Very high	93.9	Very high	26 Å²	26	45.1 Å²	45.1	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-80.7	-39.4	-178.7	-61.9	-43.1	0	0	0	112.2	A332 N333 L338 G367 V368 K373 V374	A332-D370 WeakPolarHBondContact CA-OD2 3.37Å; N333-D370 PolarHBondContact N-OD2 3.35Å; L338-D370 HydrophobicContact CD1-CB 3.65Å; L338-D370 HydrophobicContact CD2-CB 3.81Å; L338-D370 HydrophobicContact CG-CB 4.39Å; G367-D370 PolarHBondContact O-N 3.31Å; V368-D370 VanDerWaalsContact C-N 3.33Å; V368-D370 PolarHBondContact O-N 3.48Å; D370-K373 WeakPolarHBondContact O-CB 3.48Å; D370-K373 PolarHBondContact O-N 3.02Å; D370-V374 WeakPolarHBondContact O-CG2 3.22Å; D370-V374 PolarHBondContact O-N 2.79Å
371	V	96	Very high	94.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-46.5	171.5	172.3	0	0	0	0	110.4	L326 T329 Y337 L338 L341 I355 G367 K373 V374 L375	L326-V371 HydrophobicContact CD2-CG1 3.87Å; T329-V371 HydrophobicContact CG2-CG2 4.41Å; Y337-V371 HydrophobicContact CE1-CG2 4.27Å; L338-V371 HydrophobicContact CD2-CG2 4.09Å; L341-V371 HydrophobicContact CD2-CG1 4.08Å; L341-V371 HydrophobicContact CD2-CG2 3.87Å; I355-V371 HydrophobicContact CD1-CG1 3.83Å; G367-V371 WeakPolarHBondContact O-CG2 3.19Å; G367-V371 PolarHBondContact O-N 2.87Å; V371-K373 VanDerWaalsContact C-N 3.29Å; V371-K373 PolarHBondContact O-N 2.86Å; V371-V374 WeakPolarHBondContact O-CB 3.22Å; V371-V374 PolarHBondContact O-N 2.85Å; V371-V374 VanDerWaalsContact O-N 3.15Å; V371-L375 HydrophobicContact CG1-CD1 4.16Å; V371-L375 HydrophobicContact CG1-CG 4.45Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 2.92Å
372	L	96.3	Very high	94.3	Very high	29 Å²	29	53.8 Å²	53.8	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-40.1	175.2	-73.2	169.9	0	0	0	112.4	I355 V368 L375 Q376 K382 P383 V385 F405	I355-L372 HydrophobicContact CD1-CD2 4.36Å; V368-L372 HydrophobicContact CG1-CD1 4.02Å; V368-L372 WeakPolarHBondContact O-CB 3.37Å; V368-L372 WeakPolarHBondContact O-CD1 3.2Å; V368-L372 WeakPolarHBondContact O-CG 3.13Å; V368-L372 PolarHBondContact O-N 3.05Å; V368-L372 VanDerWaalsContact O-N 3.11Å; L372-L375 PolarHBondContact O-N 3.38Å; L372-Q376 WeakPolarHBondContact O-CB 3.37Å; L372-Q376 PolarHBondContact O-N 2.57Å; L372-K382 HydrophobicContact CD2-CG 4.29Å; L372-P383 HydrophobicContact CD2-CG 3.65Å; L372-V385 HydrophobicContact CD1-CG2 4.32Å; L372-V385 HydrophobicContact CD2-CG2 4.06Å; L372-F405 HydrophobicContact CD1-CE2 3.53Å; L372-F405 HydrophobicContact CD1-CZ 3.63Å
373	K	95.5	Very high	94.6	Very high	126 Å²	126	49.7 Å²	49.7	55%	0.548	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-38.4	175.4	-175.5	179.1	177.8	-176	0	112.1	K369 D370 V371 N377	K369-K373 WeakPolarHBondContact O-CB 3.46Å; K369-K373 PolarHBondContact O-N 3.07Å; D370-K373 WeakPolarHBondContact O-CB 3.48Å; D370-K373 PolarHBondContact O-N 3.02Å; V371-K373 VanDerWaalsContact C-N 3.29Å; V371-K373 PolarHBondContact O-N 2.86Å; K373-N377 VanDerWaalsContact O-CB 3.32Å; K373-N377 WeakPolarHBondContact O-CB 3.4Å; K373-N377 PolarHBondContact O-N 3.2Å; K373-N377 PolarHBondContact O-ND2 2.68Å
374	V	95.9	Very high	94.8	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.127	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-47.4	172	168.5	0	0	0	0	110.9	L338 K342 D370 V371 N377 I378	L338-V374 HydrophobicContact CB-CG2 4.15Å; L338-V374 HydrophobicContact CD2-CG2 3.99Å; K342-V374 HydrophobicContact CB-CG1 3.85Å; K342-V374 HydrophobicContact CG-CG1 4.16Å; D370-V374 WeakPolarHBondContact O-CG2 3.22Å; D370-V374 PolarHBondContact O-N 2.79Å; V371-V374 WeakPolarHBondContact O-CB 3.22Å; V371-V374 PolarHBondContact O-N 2.85Å; V371-V374 VanDerWaalsContact O-N 3.15Å; V374-N377 PolarHBondContact O-N 2.74Å; V374-I378 WeakPolarHBondContact O-CG1 3.37Å; V374-I378 PolarHBondContact O-N 3.03Å
375	L	96.7	Very high	94.9	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-44.3	178.6	-69.3	175.9	0	0	0	112.3	I345 I352 V371 L372 N377 I378 G379 Q380 P383	I345-L375 HydrophobicContact CD1-CD2 4Å; I352-L375 HydrophobicContact CB-CD1 4.03Å; I352-L375 HydrophobicContact CB-CD2 4.09Å; I352-L375 HydrophobicContact CD1-CD2 4.16Å; I352-L375 HydrophobicContact CG1-CD2 4.22Å; I352-L375 HydrophobicContact CG2-CD1 4.22Å; V371-L375 HydrophobicContact CG1-CD1 4.16Å; V371-L375 HydrophobicContact CG1-CG 4.45Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 2.92Å; L372-L375 PolarHBondContact O-N 3.38Å; L375-N377 PolarHBondContact O-N 2.8Å; L375-I378 HydrophobicContact CD2-CD1 4.31Å; L375-I378 VanDerWaalsContact O-CG1 3.27Å; L375-I378 WeakPolarHBondContact O-CG1 3.45Å; L375-I378 PolarHBondContact O-N 3.24Å; L375-G379 PolarHBondContact O-N 3.05Å; L375-Q380 HydrophobicContact CB-CB 4.42Å; L375-Q380 HydrophobicContact CD2-CB 4.4Å; L375-Q380 PolarHBondContact O-N 3.18Å; L375-P383 HydrophobicContact CD1-CG 3.78Å
376	Q	95.9	Very high	95	Very high	147 Å²	147	50.3 Å²	50.3	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-60.1	-44.2	173.7	-174	-179.8	12.3	0	0	111.7	L372 I378 G379	L372-Q376 WeakPolarHBondContact O-CB 3.37Å; L372-Q376 PolarHBondContact O-N 2.57Å; Q376-I378 PolarHBondContact O-N 2.89Å; Q376-G379 PolarHBondContact O-N 3Å
377	N	95.4	Very high	95.2	Very high	113 Å²	113	50 Å²	50	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-68.6	-13.4	-180	-73	-26.4	0	0	0	114.4	K373 V374 L375	K373-N377 VanDerWaalsContact O-CB 3.32Å; K373-N377 WeakPolarHBondContact O-CB 3.4Å; K373-N377 PolarHBondContact O-N 3.2Å; K373-N377 PolarHBondContact O-ND2 2.68Å; V374-N377 PolarHBondContact O-N 2.74Å; L375-N377 PolarHBondContact O-N 2.8Å
378	I	95.1	Very high	95.1	Very high	46 Å²	46	51.9 Å²	51.9	24%	0.236	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.5	171.2	64.7	173.1	0	0	0	112.8	K342 I345 V346 V374 L375 Q376 Q380	K342-I378 HydrophobicContact CD-CG2 4.32Å; K342-I378 HydrophobicContact CG-CG2 4.02Å; I345-I378 HydrophobicContact CB-CD1 4.42Å; I345-I378 HydrophobicContact CG2-CD1 3.61Å; V346-I378 HydrophobicContact CG2-CD1 4.41Å; V346-I378 HydrophobicContact CG2-CG2 4.24Å; V374-I378 WeakPolarHBondContact O-CG1 3.37Å; V374-I378 PolarHBondContact O-N 3.03Å; L375-I378 HydrophobicContact CD2-CD1 4.31Å; L375-I378 VanDerWaalsContact O-CG1 3.27Å; L375-I378 WeakPolarHBondContact O-CG1 3.45Å; L375-I378 PolarHBondContact O-N 3.24Å; Q376-I378 PolarHBondContact O-N 2.89Å; I378-Q380 HydrophobicContact CD1-CG 4.18Å; I378-Q380 HydrophobicContact CG1-CG 4.1Å; I378-Q380 PolarHBondContact O-N 2.82Å
379	G	94.8	Very high	94.5	Very high	69 Å²	69	53.9 Å²	53.9	71%	0.711	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	20.4	174.7	0	0	0	0	0	115.4	L375 Q376	L375-G379 PolarHBondContact O-N 3.05Å; Q376-G379 PolarHBondContact O-N 3Å
380	Q	95.1	Very high	93.4	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.182	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-80.2	148.9	174.7	-71.4	-169.2	18.5	0	0	112	I350 L375 I378	I350-Q380 PolarHBondContact O-NE2 2.98Å; L375-Q380 HydrophobicContact CB-CB 4.42Å; L375-Q380 HydrophobicContact CD2-CB 4.4Å; L375-Q380 PolarHBondContact O-N 3.18Å; I378-Q380 HydrophobicContact CD1-CG 4.18Å; I378-Q380 HydrophobicContact CG1-CG 4.1Å; I378-Q380 PolarHBondContact O-N 2.82Å
381	P	94.3	Very high	91.5	Very high	83 Å²	83	55 Å²	55	54%	0.539	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-55.3	148.9	168.7	-22.6	33.6	0	0	0	111.3	P383	P381-P383 WeakPolarHBondContact O-CD 3.45Å
382	K	94.7	Very high	89.5	Confident	167 Å²	167	59.1 Å²	59.1	73%	0.726	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-62	122.5	172.4	-174.8	-165.2	170.7	-168.1	0	108.8	L372	L372-K382 HydrophobicContact CD2-CG 4.29Å
383	P	96.5	Very high	87.5	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.032	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.9	158.7	173.8	29.7	-35.4	0	0	0	111.6	I352 F353 I355 L372 L375 P381 V385	I352-P383 HydrophobicContact CG2-CB 4.41Å; F353-P383 VanDerWaalsContact C-CB 3.42Å; F353-P383 CarbonylContact O-C 3.55Å; F353-P383 VanDerWaalsContact O-CA 3.22Å; F353-P383 WeakPolarHBondContact O-CA 3.42Å; F353-P383 VanDerWaalsContact O-CB 3.3Å; F353-P383 WeakPolarHBondContact O-CB 3.4Å; I355-P383 HydrophobicContact CD1-CG 3.87Å; I355-P383 HydrophobicContact CG1-CB 4.32Å; I355-P383 HydrophobicContact CG1-CG 3.99Å; L372-P383 HydrophobicContact CD2-CG 3.65Å; L375-P383 HydrophobicContact CD1-CG 3.78Å; P381-P383 WeakPolarHBondContact O-CD 3.45Å; P383-V385 HydrophobicContact CG-CG2 4.44Å
384	S	96.3	Very high	85.3	Confident	22 Å²	22	63.1 Å²	63.1	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141	157	165.4	0	0	0	0	109.1	F353 T354 I355 M386 E408	F353-S384 PolarHBondContact O-N 3.03Å; T354-S384 CarbonylContact C-O 3.59Å; T354-S384 VanDerWaalsContact CA-O 3.32Å; T354-S384 WeakPolarHBondContact CA-O 3.48Å; I355-S384 PolarHBondContact N-O 2.84Å; S384-M386 WeakPolarHBondContact OG-CE 3.43Å; S384-M386 VanDerWaalsContact OG-CG 3.25Å; S384-M386 WeakPolarHBondContact OG-CG 3.28Å; S384-E408 WeakPolarHBondContact CA-OE1 3.4Å; S384-E408 WeakPolarHBondContact CB-OE1 3.3Å; S384-E408 WeakPolarHBondContact CB-OE2 3.2Å; S384-E408 PolarHBondContact OG-OE1 3.04Å; S384-E408 VanDerWaalsContact OG-OE1 3.09Å; S384-E408 PolarHBondContact OG-OE2 3.42Å
385	V	96.1	Very high	83.1	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	101	-179.8	-174.9	0	0	0	0	108.5	I355 V368 L372 P383 F405 Y407 E408	I355-V385 HydrophobicContact CB-CG1 4.3Å; I355-V385 HydrophobicContact CB-CG2 4.34Å; I355-V385 HydrophobicContact CD1-CG2 4.27Å; I355-V385 HydrophobicContact CG2-CG1 4.49Å; V368-V385 HydrophobicContact CG1-CG1 3.92Å; L372-V385 HydrophobicContact CD1-CG2 4.32Å; L372-V385 HydrophobicContact CD2-CG2 4.06Å; P383-V385 HydrophobicContact CG-CG2 4.44Å; V385-F405 HydrophobicContact CB-CE1 3.79Å; V385-F405 HydrophobicContact CB-CZ 4.08Å; V385-F405 HydrophobicContact CG1-CD1 4.46Å; V385-F405 HydrophobicContact CG1-CE1 3.62Å; V385-F405 HydrophobicContact CG1-CZ 4.07Å; V385-F405 HydrophobicContact CG2-CE1 4.35Å; V385-F405 HydrophobicContact CG2-CZ 4.13Å; V385-Y407 HydrophobicContact CG1-CD1 3.92Å; V385-Y407 HydrophobicContact CG1-CE1 4Å; V385-Y407 WeakPolarHBondContact O-CA 3.45Å; V385-E408 PolarHBondContact O-N 2.7Å
386	M	95.8	Very high	81	Confident	25 Å²	25	66.6 Å²	66.6	12%	0.123	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.1	-166.9	-52.7	-174.4	177.4	0	0	112.2	T354 I355 I356 C357 S384 E408 L410 V416	T354-M386 HydrophobicContact CG2-CE 3.9Å; T354-M386 HydrophobicContact CG2-CG 3.95Å; T354-M386 HydrophobicContact CG2-SD 3.84Å; I355-M386 PolarHBondContact O-N 2.84Å; I356-M386 WeakPolarHBondContact CA-O 3.2Å; C357-M386 PolarHBondContact N-O 3.41Å; S384-M386 WeakPolarHBondContact OG-CE 3.43Å; S384-M386 VanDerWaalsContact OG-CG 3.25Å; S384-M386 WeakPolarHBondContact OG-CG 3.28Å; M386-E408 CarbonylContact C-O 3.58Å; M386-E408 VanDerWaalsContact CA-O 3.25Å; M386-E408 WeakPolarHBondContact CA-O 3.22Å; M386-E408 HydrophobicContact CG-CB 4.12Å; M386-L410 HydrophobicContact CB-CD1 4.41Å; M386-L410 HydrophobicContact CB-CD2 3.48Å; M386-L410 VanDerWaalsContact CB-CD2 3.48Å; M386-L410 HydrophobicContact CB-CG 3.81Å; M386-L410 HydrophobicContact CG-CD2 4.17Å; M386-L410 HydrophobicContact SD-CD2 3.67Å; M386-V416 HydrophobicContact SD-CG2 4.14Å
387	K	93.7	Very high	78.7	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.035	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.4	174.6	-170.3	-172.9	161.5	-67.6	0	110.1	C357 Y407 E408 H409 L410 D434	C357-K387 HydrophobicContact CB-CB 4.37Å; C357-K387 HydrophobicContact CB-CD 4.42Å; C357-K387 HydrophobicContact CB-CG 4.12Å; K387-Y407 HydrophobicContact CB-CD1 3.52Å; K387-Y407 HydrophobicContact CB-CD2 4.45Å; K387-Y407 HydrophobicContact CB-CE1 4.16Å; K387-Y407 HydrophobicContact CB-CG 3.7Å; K387-Y407 HydrophobicContact CD-CD1 4.18Å; K387-Y407 HydrophobicContact CD-CD2 4.13Å; K387-Y407 HydrophobicContact CD-CE1 4.14Å; K387-Y407 HydrophobicContact CD-CE2 4.09Å; K387-Y407 HydrophobicContact CD-CG 4.18Å; K387-Y407 HydrophobicContact CG-CD1 4.46Å; K387-E408 PolarHBondContact N-O 3.09Å; K387-H409 WeakPolarHBondContact O-CA 3.49Å; K387-L410 PolarHBondContact O-N 2.95Å; K387-D434 WeakPolarHBondContact CE-OD2 3.33Å; K387-D434 IonicContact NZ-OD2 2.77Å; K387-D434 PolarHBondContact NZ-OD2 3.25Å
388	Y	91.6	Very high	76.6	Confident	39 Å²	39	63.5 Å²	63.5	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.7	171.5	-153.4	-94.5	0	0	0	111	L410 D412 H427 D434 V436	Y388-L410 HydrophobicContact CD2-CB 4.15Å; Y388-L410 WeakPolarHBondContact CD2-O 3.35Å; Y388-D412 HydrophobicContact CE2-CB 4.43Å; Y388-H427 AromaticContact CD1-CD2 3.66Å; Y388-H427 AromaticContact CD1-NE2 3.76Å; Y388-H427 AromaticContact CE1-CD2 3.42Å; Y388-H427 VanDerWaalsContact CE1-CD2 3.42Å; Y388-H427 WeakPolarHBondContact CE1-CD2 3.45Å; Y388-H427 AromaticContact CE1-CE1 3.71Å; Y388-H427 AromaticContact CE1-CG 3.75Å; Y388-H427 AromaticContact CE1-ND1 3.93Å; Y388-H427 AromaticContact CE1-NE2 3.41Å; Y388-H427 WeakPolarHBondContact CE1-NE2 3.48Å; Y388-H427 HydrophobicContact CE2-CB 3.95Å; Y388-H427 AromaticContact CE2-CG 4Å; Y388-H427 AromaticContact CZ-CD2 3.66Å; Y388-H427 AromaticContact CZ-CG 3.53Å; Y388-H427 AromaticContact CZ-ND1 3.82Å; Y388-D434 VanDerWaalsContact CB-O 3.28Å; Y388-D434 WeakPolarHBondContact CB-O 3.34Å; Y388-V436 HydrophobicContact CD2-CG1 3.56Å; Y388-V436 HydrophobicContact CE2-CG1 4.4Å; Y388-V436 HydrophobicContact CG-CG1 3.8Å
389	S	81.2	Confident	74.6	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	36%	0.36	S	S	.	.			trans	-90.7	140.5	-177.9	-158.1	0	0	0	0	111.4	T391 H409	S389-T391 PolarHBondContact O-N 3.44Å; S389-H409 PolarHBondContact OG-CE1 2.84Å
390	I	70.2	Confident	72.5	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.138	33%	0.334	C	S	.	.			trans	-78.9	114.5	171.1	-70.1	-171	0	0	0	108.4	D392 K393 W399 S433 D434	I390-D392 WeakPolarHBondContact CG2-O 3.39Å; I390-K393 HydrophobicContact CG2-CB 4.42Å; I390-K393 HydrophobicContact CG2-CG 3.83Å; I390-W399 HydrophobicContact CD1-CD2 4.21Å; I390-W399 HydrophobicContact CD1-CE3 3.24Å; I390-W399 HydrophobicContact CD1-CH2 4.44Å; I390-W399 HydrophobicContact CD1-CZ3 3.35Å; I390-W399 HydrophobicContact CG1-CE3 4.37Å; I390-W399 HydrophobicContact CG1-CZ3 4.05Å; I390-S433 WeakPolarHBondContact CD1-OG 3.42Å; I390-S433 WeakPolarHBondContact CG1-OG 3.42Å; I390-D434 HydrophobicContact CD1-CB 4.46Å; I390-D434 HydrophobicContact CG1-CB 3.8Å
391	T	55.4	Low	70.2	Confident	139 Å²	139	68.7 Å²	68.7	85%	0.853	36%	0.362	S	S	*	.	S	Bend	trans	-79.8	-27.9	173.4	48	0	0	0	0	112.8	S389	S389-T391 PolarHBondContact O-N 3.44Å
392	D	53.3	Low	67.7	Low	87 Å²	87	70.3 Å²	70.3	47%	0.465	37%	0.371	S	S	.	.			trans	-136.7	112.3	175.8	-169.2	-19.6	0	0	0	110.8	I390 S394	I390-D392 WeakPolarHBondContact CG2-O 3.39Å; D392-S394 VanDerWaalsContact C-N 3.25Å; D392-S394 VanDerWaalsContact CG-OG 3.26Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 VanDerWaalsContact OD1-CB 3.25Å; D392-S394 WeakPolarHBondContact OD1-CB 3.19Å; D392-S394 PolarHBondContact OD1-N 3.09Å; D392-S394 PolarHBondContact OD1-OG 3.09Å; D392-S394 PolarHBondContact OD2-OG 3.35Å
393	K	54.7	Low	65.7	Low	148 Å²	148	63.8 Å²	63.8	64%	0.643	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.2	-179.8	-66.2	-176.2	178.7	-177.7	0	113.7	I390	I390-K393 HydrophobicContact CG2-CB 4.42Å; I390-K393 HydrophobicContact CG2-CG 3.83Å
394	S	49.8	Very low	64	Low	90 Å²	90	71.7 Å²	71.7	63%	0.629	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.5	-175.4	69.8	0	0	0	0	114.2	D392	D392-S394 VanDerWaalsContact C-N 3.25Å; D392-S394 VanDerWaalsContact CG-OG 3.26Å; D392-S394 PolarHBondContact O-N 2.99Å; D392-S394 VanDerWaalsContact OD1-CB 3.25Å; D392-S394 WeakPolarHBondContact OD1-CB 3.19Å; D392-S394 PolarHBondContact OD1-N 3.09Å; D392-S394 PolarHBondContact OD1-OG 3.09Å; D392-S394 PolarHBondContact OD2-OG 3.35Å
395	E	48.4	Very low	62.9	Low	87 Å²	87	72.9 Å²	72.9	41%	0.407	38%	0.38	S	S	.	.	S	Bend	trans	-77.7	-37.2	176	-66.1	-146.2	130.1	0	0	113.2	V397 N462	E395-V397 PolarHBondContact O-N 2.82Å; E395-N462 PolarHBondContact OE1-ND2 3.2Å
396	D	53.8	Low	62.2	Low	10 Å²	10	81.6 Å²	81.6	5%	0.053	42%	0.42	C	S	.	.			trans	-100.6	74.7	-176.2	-75.5	-25.3	0	0	0	111.9	W360 N398 W399 S433	W360-D396 HydrophobicContact CZ2-CB 4.48Å; W360-D396 PolarHBondContact NE1-OD2 3.39Å; W360-D396 VanDerWaalsContact NE1-OD2 3.17Å; D396-N398 PolarHBondContact O-N 3.16Å; D396-W399 PolarHBondContact O-N 3.31Å; D396-W399 VanDerWaalsContact O-N 3.1Å; D396-S433 PolarHBondContact OD1-N 3.47Å; D396-S433 VanDerWaalsContact OD2-CB 3.3Å; D396-S433 WeakPolarHBondContact OD2-CB 3.42Å; D396-S433 PolarHBondContact OD2-N 2.78Å; D396-S433 PolarHBondContact OD2-OG 2.8Å
397	V	47.5	Very low	61.8	Low	98 Å²	98	82 Å²	82	59%	0.594	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-28.4	-177.2	-171.6	0	0	0	0	114.7	E395	E395-V397 PolarHBondContact O-N 2.82Å
398	N	51.6	Low	61.8	Low	97 Å²	97	86.4 Å²	86.4	52%	0.519	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	14.7	-173.7	-73.1	46.7	0	0	0	114.6	W360 D396 P400	W360-N398 HydrophobicContact CH2-CB 3.83Å; W360-N398 WeakPolarHBondContact CH2-O 3.31Å; W360-N398 HydrophobicContact CZ2-CB 4.36Å; D396-N398 PolarHBondContact O-N 3.16Å; N398-P400 VanDerWaalsContact O-CD 3.24Å; N398-P400 WeakPolarHBondContact O-CD 3.2Å; N398-P400 VanDerWaalsContact O-N 3.16Å
399	W	51.2	Low	61.7	Low	72 Å²	72	90.2 Å²	90.2	27%	0.273	46%	0.46	S	S	.	.			trans	-55.6	119.1	-179.3	178.2	-82.9	0	0	0	112.1	W360 I390 D396 E401	W360-W399 HydrophobicContact CB-CE3 3.84Å; W360-W399 HydrophobicContact CB-CH2 3.97Å; W360-W399 HydrophobicContact CB-CZ3 3.31Å; W360-W399 AromaticContact CD1-CE3 3.71Å; W360-W399 AromaticContact CD1-CZ3 3.75Å; W360-W399 HydrophobicContact CD2-CE3 4.09Å; W360-W399 HydrophobicContact CD2-CZ3 4.48Å; W360-W399 AromaticContact CG-CE3 3.62Å; W360-W399 HydrophobicContact CG-CE3 3.62Å; W360-W399 AromaticContact CG-CZ3 3.58Å; W360-W399 HydrophobicContact CG-CZ3 3.58Å; I390-W399 HydrophobicContact CD1-CD2 4.21Å; I390-W399 HydrophobicContact CD1-CE3 3.24Å; I390-W399 HydrophobicContact CD1-CH2 4.44Å; I390-W399 HydrophobicContact CD1-CZ3 3.35Å; I390-W399 HydrophobicContact CG1-CE3 4.37Å; I390-W399 HydrophobicContact CG1-CZ3 4.05Å; D396-W399 PolarHBondContact O-N 3.31Å; D396-W399 VanDerWaalsContact O-N 3.1Å; W399-E401 PolarHBondContact O-N 2.91Å
400	P	51.8	Low	62.3	Low	24 Å²	24	88.4 Å²	88.4	16%	0.156	45%	0.447	C	S	.	.			trans	-76.3	113.7	-178.7	-13.6	29.2	0	0	0	111.1	W360 N398 T402 L403	W360-P400 VanDerWaalsContact CE3-CD 3.49Å; W360-P400 HydrophobicContact CE3-CG 4.08Å; W360-P400 VanDerWaalsContact CZ3-CD 3.44Å; W360-P400 HydrophobicContact CZ3-CG 3.81Å; N398-P400 VanDerWaalsContact O-CD 3.24Å; N398-P400 WeakPolarHBondContact O-CD 3.2Å; N398-P400 VanDerWaalsContact O-N 3.16Å; P400-T402 VanDerWaalsContact CB-OG1 3.31Å; P400-T402 WeakPolarHBondContact CB-OG1 3.42Å; P400-T402 PolarHBondContact O-N 3.03Å; P400-L403 HydrophobicContact CB-CD1 4.44Å; P400-L403 HydrophobicContact CB-CG 4.28Å; P400-L403 HydrophobicContact CG-CD1 4.1Å; P400-L403 HydrophobicContact CG-CG 4.45Å; P400-L403 PolarHBondContact O-N 2.89Å
401	E	45.7	Very low	63.4	Low	167 Å²	167	95.7 Å²	95.7	78%	0.78	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.1	168.8	-64.9	-156.1	132.6	0	0	113.2	W399 L403	W399-E401 PolarHBondContact O-N 2.91Å; E401-L403 VanDerWaalsContact C-N 3.3Å; E401-L403 PolarHBondContact O-N 3.17Å
402	T	42.8	Very low	65.3	Low	117 Å²	117	92.3 Å²	92.3	72%	0.718	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.5	174.7	52.1	0	0	0	0	113.6	P400 K404	P400-T402 VanDerWaalsContact CB-OG1 3.31Å; P400-T402 WeakPolarHBondContact CB-OG1 3.42Å; P400-T402 PolarHBondContact O-N 3.03Å; T402-K404 PolarHBondContact O-N 2.82Å
403	L	52.4	Low	67.4	Low	29 Å²	29	90.1 Å²	90.1	15%	0.152	45%	0.447	C	S	.	.			trans	-78.7	47.9	174.4	-75.4	177.8	0	0	0	112.8	W360 L362 P400 E401 F405	W360-L403 WeakPolarHBondContact O-CD1 3.41Å; L362-L403 HydrophobicContact CD2-CD1 3.89Å; L362-L403 HydrophobicContact CD2-CD2 3.76Å; L362-L403 HydrophobicContact CD2-CG 3.96Å; P400-L403 HydrophobicContact CB-CD1 4.44Å; P400-L403 HydrophobicContact CB-CG 4.28Å; P400-L403 HydrophobicContact CG-CD1 4.1Å; P400-L403 HydrophobicContact CG-CG 4.45Å; P400-L403 PolarHBondContact O-N 2.89Å; E401-L403 VanDerWaalsContact C-N 3.3Å; E401-L403 PolarHBondContact O-N 3.17Å; L403-F405 PolarHBondContact O-N 2.95Å
404	K	59.9	Low	69.4	Low	172 Å²	172	85.2 Å²	85.2	75%	0.748	43%	0.426	S	S	*	.			trans	-70.6	95.4	165.7	-69.8	-176.3	-175.5	-179.7	0	109.5	K369 T402	K369-K404 PolarHBondContact NZ-O 3.49Å; T402-K404 PolarHBondContact O-N 2.82Å
405	F	73.6	Confident	71.7	Confident	47 Å²	47	85 Å²	85	21%	0.206	42%	0.416	C	S	.	.			trans	-143.7	137.5	164.6	-174.8	-84.1	0	0	0	107.5	V368 K369 L372 V385 L403 Y407	V368-F405 HydrophobicContact CG1-CD1 4.25Å; V368-F405 HydrophobicContact CG1-CD2 4Å; V368-F405 HydrophobicContact CG1-CE1 4.05Å; V368-F405 HydrophobicContact CG1-CE2 3.77Å; V368-F405 HydrophobicContact CG1-CG 4.24Å; V368-F405 HydrophobicContact CG1-CZ 3.81Å; K369-F405 HydrophobicContact CG-CD2 4.18Å; L372-F405 HydrophobicContact CD1-CE2 3.53Å; L372-F405 HydrophobicContact CD1-CZ 3.63Å; V385-F405 HydrophobicContact CB-CE1 3.79Å; V385-F405 HydrophobicContact CB-CZ 4.08Å; V385-F405 HydrophobicContact CG1-CD1 4.46Å; V385-F405 HydrophobicContact CG1-CE1 3.62Å; V385-F405 HydrophobicContact CG1-CZ 4.07Å; V385-F405 HydrophobicContact CG2-CE1 4.35Å; V385-F405 HydrophobicContact CG2-CZ 4.13Å; L403-F405 PolarHBondContact O-N 2.95Å; F405-Y407 HydrophobicContact CB-CE2 3.9Å; F405-Y407 AromaticContact CD1-CD1 3.91Å; F405-Y407 HydrophobicContact CD1-CD1 3.91Å; F405-Y407 AromaticContact CD1-CD2 3.99Å; F405-Y407 HydrophobicContact CD1-CD2 3.99Å; F405-Y407 AromaticContact CD1-CE1 3.81Å; F405-Y407 HydrophobicContact CD1-CE1 3.81Å; F405-Y407 AromaticContact CD1-CE2 3.9Å; F405-Y407 HydrophobicContact CD1-CE2 3.9Å; F405-Y407 AromaticContact CD1-CG 4Å; F405-Y407 HydrophobicContact CD1-CG 4Å; F405-Y407 AromaticContact CD1-CZ 3.8Å; F405-Y407 HydrophobicContact CE1-CD1 4.24Å; F405-Y407 HydrophobicContact CE1-CE1 4.32Å; F405-Y407 HydrophobicContact CG-CE2 4.36Å; F405-Y407 VanDerWaalsContact O-CD2 3.28Å; F405-Y407 WeakPolarHBondContact O-CD2 3.38Å; F405-Y407 PolarHBondContact O-N 2.92Å
406	E	82.3	Confident	74	Confident	186 Å²	186	81.3 Å²	81.3	87%	0.869	40%	0.399	S	S	*	.			trans	-87.7	105.7	-179.4	-67.9	178.2	165.5	0	0	109.5
407	Y	87.6	Confident	76.1	Confident	34 Å²	34	86.8 Å²	86.8	13%	0.133	43%	0.426	C	S	.	.			trans	-93.1	140.4	178.7	-64.5	-87.5	0	0	0	111.3	V368 V385 K387 F405	V368-Y407 HydrophobicContact CG2-CE1 4.39Å; V385-Y407 HydrophobicContact CG1-CD1 3.92Å; V385-Y407 HydrophobicContact CG1-CE1 4Å; V385-Y407 WeakPolarHBondContact O-CA 3.45Å; K387-Y407 HydrophobicContact CB-CD1 3.52Å; K387-Y407 HydrophobicContact CB-CD2 4.45Å; K387-Y407 HydrophobicContact CB-CE1 4.16Å; K387-Y407 HydrophobicContact CB-CG 3.7Å; K387-Y407 HydrophobicContact CD-CD1 4.18Å; K387-Y407 HydrophobicContact CD-CD2 4.13Å; K387-Y407 HydrophobicContact CD-CE1 4.14Å; K387-Y407 HydrophobicContact CD-CE2 4.09Å; K387-Y407 HydrophobicContact CD-CG 4.18Å; K387-Y407 HydrophobicContact CG-CD1 4.46Å; F405-Y407 HydrophobicContact CB-CE2 3.9Å; F405-Y407 AromaticContact CD1-CD1 3.91Å; F405-Y407 HydrophobicContact CD1-CD1 3.91Å; F405-Y407 AromaticContact CD1-CD2 3.99Å; F405-Y407 HydrophobicContact CD1-CD2 3.99Å; F405-Y407 AromaticContact CD1-CE1 3.81Å; F405-Y407 HydrophobicContact CD1-CE1 3.81Å; F405-Y407 AromaticContact CD1-CE2 3.9Å; F405-Y407 HydrophobicContact CD1-CE2 3.9Å; F405-Y407 AromaticContact CD1-CG 4Å; F405-Y407 HydrophobicContact CD1-CG 4Å; F405-Y407 AromaticContact CD1-CZ 3.8Å; F405-Y407 HydrophobicContact CE1-CD1 4.24Å; F405-Y407 HydrophobicContact CE1-CE1 4.32Å; F405-Y407 HydrophobicContact CG-CE2 4.36Å; F405-Y407 VanDerWaalsContact O-CD2 3.28Å; F405-Y407 WeakPolarHBondContact O-CD2 3.38Å; F405-Y407 PolarHBondContact O-N 2.92Å
408	E	92.6	Very high	78.5	Confident	101 Å²	101	83.2 Å²	83.2	47%	0.472	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.7	163.4	-73.6	164.7	-122.6	0	0	109.5	S384 V385 M386 K387 L410	S384-E408 WeakPolarHBondContact CA-OE1 3.4Å; S384-E408 WeakPolarHBondContact CB-OE1 3.3Å; S384-E408 WeakPolarHBondContact CB-OE2 3.2Å; S384-E408 PolarHBondContact OG-OE1 3.04Å; S384-E408 VanDerWaalsContact OG-OE1 3.09Å; S384-E408 PolarHBondContact OG-OE2 3.42Å; V385-E408 PolarHBondContact O-N 2.7Å; M386-E408 CarbonylContact C-O 3.58Å; M386-E408 VanDerWaalsContact CA-O 3.25Å; M386-E408 WeakPolarHBondContact CA-O 3.22Å; M386-E408 HydrophobicContact CG-CB 4.12Å; K387-E408 PolarHBondContact N-O 3.09Å; E408-L410 PolarHBondContact O-N 2.67Å
409	H	90.1	Very high	80.6	Confident	119 Å²	119	82.7 Å²	82.7	55%	0.551	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.1	-172.1	-67.4	-28.1	0	0	0	112.6	K387 S389	K387-H409 WeakPolarHBondContact O-CA 3.49Å; S389-H409 PolarHBondContact OG-CE1 2.84Å
410	L	92.8	Very high	82.7	Confident	5 Å²	5	81 Å²	81	3%	0.026	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	145.7	167	-63.4	172.9	0	0	0	110.4	I356 M386 K387 Y388 E408 V425 V436	I356-L410 HydrophobicContact CG2-CD1 3.95Å; M386-L410 HydrophobicContact CB-CD1 4.41Å; M386-L410 HydrophobicContact CB-CD2 3.48Å; M386-L410 VanDerWaalsContact CB-CD2 3.48Å; M386-L410 HydrophobicContact CB-CG 3.81Å; M386-L410 HydrophobicContact CG-CD2 4.17Å; M386-L410 HydrophobicContact SD-CD2 3.67Å; K387-L410 PolarHBondContact O-N 2.95Å; Y388-L410 HydrophobicContact CD2-CB 4.15Å; Y388-L410 WeakPolarHBondContact CD2-O 3.35Å; E408-L410 PolarHBondContact O-N 2.67Å; L410-V425 HydrophobicContact CB-CG1 4.39Å; L410-V425 HydrophobicContact CB-CG2 4.5Å; L410-V425 HydrophobicContact CD1-CG2 4.43Å; L410-V425 HydrophobicContact CD2-CG2 4.01Å; L410-V436 HydrophobicContact CD1-CG2 4.07Å
411	R	93.8	Very high	84.9	Confident	181 Å²	181	79.8 Å²	79.8	68%	0.683	40%	0.402	S	S	*	.			trans	-116.3	151.2	169.7	-71	172.9	-72.5	-173.1	-2.3	110.6	G413 Q414 V425	R411-G413 PolarHBondContact O-N 3.37Å; R411-Q414 HydrophobicContact CB-CB 4.41Å; R411-Q414 WeakPolarHBondContact O-CB 3.35Å; R411-Q414 PolarHBondContact O-N 3.25Å; R411-Q414 VanDerWaalsContact O-N 3.13Å; R411-V425 WeakPolarHBondContact O-CB 3.43Å; R411-V425 WeakPolarHBondContact O-CG1 3.4Å
412	D	96	Very high	87.4	Confident	68 Å²	68	72.4 Å²	72.4	36%	0.364	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	135.6	175.6	-170.9	55.6	0	0	0	110.6	Y388 Q414 H427 R472	Y388-D412 HydrophobicContact CE2-CB 4.43Å; D412-Q414 PolarHBondContact O-N 3.38Å; D412-H427 HydrophobicContact CB-CB 4.15Å; D412-H427 WeakPolarHBondContact OD1-CB 3.49Å; D412-H427 PolarHBondContact OD1-N 3.3Å; D412-R472 VanDerWaalsContact CG-NH1 3.32Å; D412-R472 VanDerWaalsContact CG-NH2 3.32Å; D412-R472 IonicContact OD1-CZ 3.8Å; D412-R472 IonicContact OD1-NH1 2.68Å; D412-R472 PolarHBondContact OD1-NH1 3.36Å; D412-R472 IonicContact OD1-NH2 2.81Å; D412-R472 PolarHBondContact OD1-NH2 3.37Å; D412-R472 VanDerWaalsContact OD1-NH2 3.15Å; D412-R472 IonicContact OD2-CZ 3.58Å; D412-R472 IonicContact OD2-NH1 3.13Å; D412-R472 PolarHBondContact OD2-NH1 2.74Å; D412-R472 IonicContact OD2-NH2 2.7Å; D412-R472 PolarHBondContact OD2-NH2 2.96Å
413	G	96.6	Very high	90.1	Very high	40 Å²	40	66.9 Å²	66.9	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-1	-174.2	0	0	0	0	0	115.7	R411 V425	R411-G413 PolarHBondContact O-N 3.37Å; G413-V425 WeakPolarHBondContact CA-O 3.41Å; G413-V425 PolarHBondContact N-O 3.49Å
414	Q	97.2	Very high	92.3	Very high	45 Å²	45	69.6 Å²	69.6	21%	0.21	34%	0.342	C	S	.	.			trans	-63.2	137.9	174	177.9	176.2	-28.4	0	0	110.9	R411 D412 R424 V425	R411-Q414 HydrophobicContact CB-CB 4.41Å; R411-Q414 WeakPolarHBondContact O-CB 3.35Å; R411-Q414 PolarHBondContact O-N 3.25Å; R411-Q414 VanDerWaalsContact O-N 3.13Å; D412-Q414 PolarHBondContact O-N 3.38Å; Q414-R424 CarbonylContact O-C 3.58Å; Q414-R424 WeakPolarHBondContact O-CA 3.46Å; Q414-V425 HydrophobicContact CB-CB 4.42Å; Q414-V425 HydrophobicContact CB-CG2 4.2Å; Q414-V425 WeakPolarHBondContact O-CG2 3.22Å; Q414-V425 PolarHBondContact O-N 3.35Å
415	E	97.9	Very high	94.1	Very high	86 Å²	86	61.5 Å²	61.5	40%	0.402	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.9	175.9	-65.6	-178.2	172.5	0	0	111	T422 L423 R424	E415-T422 HydrophobicContact CB-CG2 4.32Å; E415-T422 HydrophobicContact CG-CG2 4.49Å; E415-L423 WeakPolarHBondContact CA-O 3.22Å; E415-R424 HydrophobicContact CG-CB 3.98Å; E415-R424 HydrophobicContact CG-CG 3.98Å; E415-R424 IonicContact OE1-CZ 3.02Å; E415-R424 IonicContact OE1-NE 2.75Å; E415-R424 PolarHBondContact OE1-NE 3.14Å; E415-R424 IonicContact OE1-NH2 3.94Å; E415-R424 PolarHBondContact OE1-NH2 2.89Å
416	V	97.1	Very high	95.2	Very high	10 Å²	10	59.5 Å²	59.5	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.8	173.8	-171.6	0	0	0	0	107.8	I325 T354 I356 M386 L423	I325-V416 HydrophobicContact CD1-CB 4.21Å; I325-V416 HydrophobicContact CD1-CG1 3.7Å; I325-V416 HydrophobicContact CG1-CG1 4.29Å; T354-V416 HydrophobicContact CG2-CG1 4.33Å; I356-V416 HydrophobicContact CD1-CB 4.25Å; I356-V416 HydrophobicContact CD1-CG1 4.36Å; I356-V416 HydrophobicContact CD1-CG2 4.07Å; M386-V416 HydrophobicContact SD-CG2 4.14Å; V416-L423 PolarHBondContact N-O 3.35Å; V416-L423 PolarHBondContact O-N 3.07Å
417	M	97.6	Very high	95.9	Very high	124 Å²	124	52.3 Å²	52.3	61%	0.611	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.4	-169.9	-59.5	-178.1	82.2	0	0	112.3	F353 T422	F353-M417 WeakPolarHBondContact CZ-O 3.41Å; M417-T422 HydrophobicContact CG-CG2 4.03Å
418	T	97.2	Very high	96.4	Very high	24 Å²	24	50.7 Å²	50.7	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	177.8	161.8	-164.2	0	0	0	0	110.6	R323 I325 G420 A421	R323-T418 PolarHBondContact O-OG1 2.77Å; I325-T418 HydrophobicContact CD1-CG2 4.39Å; I325-T418 HydrophobicContact CG1-CG2 4.35Å; T418-G420 PolarHBondContact O-N 2.83Å; T418-A421 HydrophobicContact CG2-CB 4.27Å; T418-A421 PolarHBondContact N-O 3.22Å; T418-A421 PolarHBondContact O-N 3.44Å; T418-A421 VanDerWaalsContact O-N 3.1Å; T418-A421 VanDerWaalsContact O-O 3.13Å
419	T	96.5	Very high	96.5	Very high	86 Å²	86	47.2 Å²	47.2	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	112.9	177.2	-49.6	0	0	0	0	110.6	T320 G321	T320-T419 PolarHBondContact N-O 3.05Å; T320-T419 PolarHBondContact OG1-O 3.35Å; T320-T419 VanDerWaalsContact OG1-O 3.13Å; G321-T419 PolarHBondContact N-O 2.87Å
420	G	95.5	Very high	96.5	Very high	35 Å²	35	41.5 Å²	41.5	36%	0.361	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	14.6	178.6	0	0	0	0	0	115.9	T418	T418-G420 PolarHBondContact O-N 2.83Å
421	A	97.9	Very high	96.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	134.6	170	0	0	0	0	0	114.6	V318 T418 F440 E442	V318-A421 HydrophobicContact CG1-CB 3.69Å; T418-A421 HydrophobicContact CG2-CB 4.27Å; T418-A421 PolarHBondContact N-O 3.22Å; T418-A421 PolarHBondContact O-N 3.44Å; T418-A421 VanDerWaalsContact O-N 3.1Å; T418-A421 VanDerWaalsContact O-O 3.13Å; A421-F440 HydrophobicContact CB-CD2 4.21Å; A421-F440 HydrophobicContact CB-CE2 3.62Å; A421-F440 HydrophobicContact CB-CZ 4.12Å; A421-E442 WeakPolarHBondContact CA-OE1 3.39Å
422	T	98.4	Very high	96.3	Very high	12 Å²	12	33.2 Å²	33.2	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.8	174.8	-55.6	0	0	0	0	108.7	E415 M417 F440 L441 E442	E415-T422 HydrophobicContact CB-CG2 4.32Å; E415-T422 HydrophobicContact CG-CG2 4.49Å; M417-T422 HydrophobicContact CG-CG2 4.03Å; T422-F440 WeakPolarHBondContact O-CA 3.09Å; T422-L441 HydrophobicContact CG2-CD1 3.66Å; T422-L441 HydrophobicContact CG2-CG 4.2Å; T422-L441 PolarHBondContact O-N 3.23Å; T422-L441 VanDerWaalsContact O-N 3.1Å; T422-E442 VanDerWaalsContact CB-OE1 3.29Å; T422-E442 WeakPolarHBondContact CB-OE1 3.36Å; T422-E442 PolarHBondContact N-OE1 2.95Å; T422-E442 PolarHBondContact N-OE2 2.96Å; T422-E442 PolarHBondContact OG1-OE1 3.17Å
423	L	98.4	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	107.4	-179.6	-61.5	-172.6	0	0	0	110.2	V318 I325 V327 E415 V416 L438 F440 F447	V318-L423 HydrophobicContact CB-CD1 4.37Å; V318-L423 HydrophobicContact CG1-CD1 4.21Å; V318-L423 HydrophobicContact CG1-CD2 4.21Å; V318-L423 HydrophobicContact CG1-CG 4.44Å; V318-L423 HydrophobicContact CG2-CD1 4.47Å; I325-L423 HydrophobicContact CB-CD1 4.46Å; I325-L423 HydrophobicContact CD1-CD1 3.84Å; I325-L423 HydrophobicContact CD1-CG 4.15Å; I325-L423 HydrophobicContact CG2-CD1 4.2Å; V327-L423 HydrophobicContact CG2-CD1 4.28Å; E415-L423 WeakPolarHBondContact CA-O 3.22Å; V416-L423 PolarHBondContact N-O 3.35Å; V416-L423 PolarHBondContact O-N 3.07Å; L423-L438 HydrophobicContact CB-CB 4.4Å; L423-L438 HydrophobicContact CD1-CD1 4.06Å; L423-F440 HydrophobicContact CD2-CB 3.6Å; L423-F440 HydrophobicContact CD2-CD2 4.07Å; L423-F440 HydrophobicContact CD2-CG 3.92Å; L423-F447 HydrophobicContact CD2-CD2 4.07Å; L423-F447 HydrophobicContact CD2-CE2 3.76Å
424	R	98.5	Very high	95.7	Very high	87 Å²	87	28.9 Å²	28.9	33%	0.328	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.2	172.7	-172.7	-177.2	-65.9	144.9	-2.3	110.3	Q414 E415 L438 H439 L441	Q414-R424 CarbonylContact O-C 3.58Å; Q414-R424 WeakPolarHBondContact O-CA 3.46Å; E415-R424 HydrophobicContact CG-CB 3.98Å; E415-R424 HydrophobicContact CG-CG 3.98Å; E415-R424 IonicContact OE1-CZ 3.02Å; E415-R424 IonicContact OE1-NE 2.75Å; E415-R424 PolarHBondContact OE1-NE 3.14Å; E415-R424 IonicContact OE1-NH2 3.94Å; E415-R424 PolarHBondContact OE1-NH2 2.89Å; R424-L438 WeakPolarHBondContact O-CA 3.49Å; R424-H439 HydrophobicContact CB-CB 4.38Å; R424-H439 PolarHBondContact N-O 3.19Å; R424-H439 PolarHBondContact O-N 3.02Å; R424-L441 HydrophobicContact CB-CD2 4.25Å
425	V	98.3	Very high	95.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.1	176.4	178.2	0	0	0	0	110.3	L410 R411 G413 Q414 V436 L438	L410-V425 HydrophobicContact CB-CG1 4.39Å; L410-V425 HydrophobicContact CB-CG2 4.5Å; L410-V425 HydrophobicContact CD1-CG2 4.43Å; L410-V425 HydrophobicContact CD2-CG2 4.01Å; R411-V425 WeakPolarHBondContact O-CB 3.43Å; R411-V425 WeakPolarHBondContact O-CG1 3.4Å; G413-V425 WeakPolarHBondContact CA-O 3.41Å; G413-V425 PolarHBondContact N-O 3.49Å; Q414-V425 HydrophobicContact CB-CB 4.42Å; Q414-V425 HydrophobicContact CB-CG2 4.2Å; Q414-V425 WeakPolarHBondContact O-CG2 3.22Å; Q414-V425 PolarHBondContact O-N 3.35Å; V425-V436 HydrophobicContact CG1-CB 4.1Å; V425-V436 HydrophobicContact CG1-CG1 3.72Å; V425-L438 HydrophobicContact CG2-CD2 4.1Å
426	V	97.9	Very high	95.6	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	102.7	175.9	-169.2	0	0	0	0	108.6	T428 V436 A437 H439 R472 L473 L476	V426-T428 HydrophobicContact CG1-CG2 4.1Å; V426-T428 PolarHBondContact O-N 3.34Å; V426-T428 PolarHBondContact O-OG1 3.21Å; V426-V436 WeakPolarHBondContact O-CA 3.33Å; V426-A437 PolarHBondContact N-O 2.63Å; V426-A437 PolarHBondContact O-N 3.38Å; V426-H439 HydrophobicContact CG2-CB 4.02Å; V426-R472 HydrophobicContact CG1-CG 4.35Å; V426-L473 HydrophobicContact CG1-CD2 4.27Å; V426-L476 HydrophobicContact CG1-CD1 4.35Å; V426-L476 HydrophobicContact CG2-CD1 4.02Å
427	H	96.7	Very high	95.7	Very high	36 Å²	36	22.1 Å²	22.1	17%	0.167	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.9	172.8	-172.5	-133.4	0	0	0	109.6	Y388 D412 P429 S433 H435 R472	Y388-H427 AromaticContact CD1-CD2 3.66Å; Y388-H427 AromaticContact CD1-NE2 3.76Å; Y388-H427 AromaticContact CE1-CD2 3.42Å; Y388-H427 VanDerWaalsContact CE1-CD2 3.42Å; Y388-H427 WeakPolarHBondContact CE1-CD2 3.45Å; Y388-H427 AromaticContact CE1-CE1 3.71Å; Y388-H427 AromaticContact CE1-CG 3.75Å; Y388-H427 AromaticContact CE1-ND1 3.93Å; Y388-H427 AromaticContact CE1-NE2 3.41Å; Y388-H427 WeakPolarHBondContact CE1-NE2 3.48Å; Y388-H427 HydrophobicContact CE2-CB 3.95Å; Y388-H427 AromaticContact CE2-CG 4Å; Y388-H427 AromaticContact CZ-CD2 3.66Å; Y388-H427 AromaticContact CZ-CG 3.53Å; Y388-H427 AromaticContact CZ-ND1 3.82Å; D412-H427 HydrophobicContact CB-CB 4.15Å; D412-H427 WeakPolarHBondContact OD1-CB 3.49Å; D412-H427 PolarHBondContact OD1-N 3.3Å; H427-P429 VanDerWaalsContact C-CD 3.5Å; H427-S433 PolarHBondContact NE2-O 3.25Å; H427-H435 PolarHBondContact CD2-O 3.19Å; H427-R472 PolarHBondContact O-NH1 2.76Å
428	T	96.9	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.			trans	-136.8	55.9	-169.7	37.9	0	0	0	0	110.5	V426 H435 A437 S469 L473	V426-T428 HydrophobicContact CG1-CG2 4.1Å; V426-T428 PolarHBondContact O-N 3.34Å; V426-T428 PolarHBondContact O-OG1 3.21Å; T428-H435 CarbonylContact C-O 3.55Å; T428-H435 WeakPolarHBondContact CA-O 3.43Å; T428-H435 PolarHBondContact N-O 3.27Å; T428-H435 PolarHBondContact OG1-ND1 2.98Å; T428-H435 PolarHBondContact OG1-O 3.11Å; T428-A437 HydrophobicContact CG2-CB 4.2Å; T428-A437 PolarHBondContact OG1-N 2.9Å; T428-A437 VanDerWaalsContact OG1-N 3.12Å; T428-S469 VanDerWaalsContact CA-OG 3.24Å; T428-S469 WeakPolarHBondContact CA-OG 3.44Å; T428-S469 PolarHBondContact O-OG 2.75Å; T428-L473 HydrophobicContact CG2-CD1 4.11Å; T428-L473 HydrophobicContact CG2-CD2 3.8Å; T428-L473 HydrophobicContact CG2-CG 3.89Å
429	P	94.4	Very high	95.8	Very high	27 Å²	27	15.8 Å²	15.8	18%	0.175	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	154	-175.1	28.3	-35.9	0	0	0	112.5	H427 T432 S465 Y466 S469	H427-P429 VanDerWaalsContact C-CD 3.5Å; P429-T432 CarbonylContact C-O 3.41Å; P429-T432 WeakPolarHBondContact CA-O 3.36Å; P429-S465 CarbonylContact O-C 3.52Å; P429-S465 WeakPolarHBondContact O-CB 3.3Å; P429-Y466 PolarHBondContact O-N 3.42Å; P429-S469 WeakPolarHBondContact CD-OG 3.41Å; P429-S469 PolarHBondContact O-OG 3.41Å
430	G	91.5	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	124	-17.7	170	0	0	0	0	0	115.2	T432 V460 S461 N462	G430-T432 PolarHBondContact N-O 3.49Å; G430-V460 CarbonylContact O-C 3.38Å; G430-V460 WeakPolarHBondContact O-CA 3.4Å; G430-V460 VanDerWaalsContact O-CG1 3.29Å; G430-V460 WeakPolarHBondContact O-CG1 3.35Å; G430-S461 PolarHBondContact O-N 3.26Å; G430-S461 PolarHBondContact O-OG 2.95Å; G430-N462 WeakPolarHBondContact CA-O 3.37Å; G430-N462 PolarHBondContact O-N 3.34Å; G430-N462 VanDerWaalsContact O-N 3.1Å
431	H	92.2	Very high	96	Very high	11 Å²	11	12.5 Å²	12.5	5%	0.051	6%	0.061	C	C	.	.	S	Bend	trans	-71.8	-54.6	154.9	176.4	80.4	0	0	0	108.7	H359 H361 D450 T458 A459 S461	H359-H431 AromaticContact CD2-CD2 3.6Å; H359-H431 AromaticContact CD2-NE2 3.74Å; H359-H431 AromaticContact NE2-CD2 3.61Å; H359-H431 AromaticContact NE2-NE2 3.32Å; H359-H431 PolarHBondContact NE2-NE2 3.48Å; H361-H431 AromaticContact CE1-CD2 3.85Å; H361-H431 AromaticContact CE1-NE2 3.15Å; H361-H431 PolarHBondContact CE1-NE2 3.37Å; H361-H431 AromaticContact ND1-CD2 3.92Å; H361-H431 AromaticContact ND1-NE2 3.13Å; H361-H431 PolarHBondContact ND1-NE2 2.95Å; H361-H431 VanDerWaalsContact ND1-NE2 3.13Å; H431-D450 IonicContact CE1-OD2 2.66Å; H431-T458 PolarHBondContact CE1-OG1 2.99Å; H431-T458 PolarHBondContact ND1-OG1 3.27Å; H431-T458 VanDerWaalsContact ND1-OG1 3.08Å; H431-A459 PolarHBondContact ND1-O 3.41Å; H431-S461 WeakPolarHBondContact O-CB 3.42Å; H431-S461 PolarHBondContact O-N 3.05Å; H431-S461 PolarHBondContact O-OG 3.26Å; H431-S461 VanDerWaalsContact O-OG 3.12Å
432	T	90.3	Very high	96	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	8%	0.083	C	C	.	.	S	Bend	trans	-130.6	171.3	160.9	53.3	0	0	0	0	108.8	H359 W360 H361 P429 G430 D434	H359-T432 WeakPolarHBondContact CB-OG1 3.42Å; W360-T432 HydrophobicContact CZ2-CG2 4.39Å; H361-T432 VanDerWaalsContact CE1-CG2 3.44Å; H361-T432 WeakPolarHBondContact CE1-CG2 3.2Å; P429-T432 CarbonylContact C-O 3.41Å; P429-T432 WeakPolarHBondContact CA-O 3.36Å; G430-T432 PolarHBondContact N-O 3.49Å; T432-D434 VanDerWaalsContact C-N 3.35Å; T432-D434 VanDerWaalsContact CB-OD1 3.23Å; T432-D434 WeakPolarHBondContact CB-OD1 3.42Å; T432-D434 PolarHBondContact OG1-OD1 3.48Å
433	S	89	Confident	95.8	Very high	16 Å²	16	19 Å²	19	11%	0.112	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28	178.9	64.2	0	0	0	0	114	I390 D396 H427	I390-S433 WeakPolarHBondContact CD1-OG 3.42Å; I390-S433 WeakPolarHBondContact CG1-OG 3.42Å; D396-S433 PolarHBondContact OD1-N 3.47Å; D396-S433 VanDerWaalsContact OD2-CB 3.3Å; D396-S433 WeakPolarHBondContact OD2-CB 3.42Å; D396-S433 PolarHBondContact OD2-N 2.78Å; D396-S433 PolarHBondContact OD2-OG 2.8Å; H427-S433 PolarHBondContact NE2-O 3.25Å
434	D	91.1	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.8	-176.9	65.9	-19.2	0	0	0	114.9	W360 K387 Y388 I390 T432 V436	W360-D434 WeakPolarHBondContact CB-OD2 3.47Å; W360-D434 PolarHBondContact N-OD2 3.31Å; K387-D434 WeakPolarHBondContact CE-OD2 3.33Å; K387-D434 IonicContact NZ-OD2 2.77Å; K387-D434 PolarHBondContact NZ-OD2 3.25Å; Y388-D434 VanDerWaalsContact CB-O 3.28Å; Y388-D434 WeakPolarHBondContact CB-O 3.34Å; I390-D434 HydrophobicContact CD1-CB 4.46Å; I390-D434 HydrophobicContact CG1-CB 3.8Å; T432-D434 VanDerWaalsContact C-N 3.35Å; T432-D434 VanDerWaalsContact CB-OD1 3.23Å; T432-D434 WeakPolarHBondContact CB-OD1 3.42Å; T432-D434 PolarHBondContact OG1-OD1 3.48Å; D434-V436 PolarHBondContact O-N 2.87Å
435	H	95.7	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.			trans	-59.5	128.5	-168.2	-172.1	-73.3	0	0	0	112.5	T358 H359 H427 T428 S448 D450 C451	T358-H435 CarbonylContact O-C 3.52Å; T358-H435 WeakPolarHBondContact O-CA 3.3Å; H359-H435 HydrophobicContact CB-CB 4.2Å; H359-H435 AromaticContact CG-CD2 3.82Å; H359-H435 AromaticContact ND1-CD2 3.84Å; H427-H435 PolarHBondContact CD2-O 3.19Å; T428-H435 CarbonylContact C-O 3.55Å; T428-H435 WeakPolarHBondContact CA-O 3.43Å; T428-H435 PolarHBondContact N-O 3.27Å; T428-H435 PolarHBondContact OG1-ND1 2.98Å; T428-H435 PolarHBondContact OG1-O 3.11Å; H435-S448 PolarHBondContact CE1-O 3.32Å; H435-S448 VanDerWaalsContact CE1-O 3.26Å; H435-D450 PolarHBondContact NE2-N 3Å; H435-C451 PolarHBondContact NE2-N 3.28Å
436	V	97.7	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.7	169.7	-65.9	0	0	0	0	111.2	T358 Y388 L410 V425 V426 D434 L438	T358-V436 WeakPolarHBondContact O-CG2 3.39Å; T358-V436 PolarHBondContact O-N 3.12Å; Y388-V436 HydrophobicContact CD2-CG1 3.56Å; Y388-V436 HydrophobicContact CE2-CG1 4.4Å; Y388-V436 HydrophobicContact CG-CG1 3.8Å; L410-V436 HydrophobicContact CD1-CG2 4.07Å; V425-V436 HydrophobicContact CG1-CB 4.1Å; V425-V436 HydrophobicContact CG1-CG1 3.72Å; V426-V436 WeakPolarHBondContact O-CA 3.33Å; D434-V436 PolarHBondContact O-N 2.87Å; V436-L438 HydrophobicContact CG2-CD2 4.45Å
437	A	98.4	Very high	95.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	155.2	161.6	0	0	0	0	0	108.4	V426 T428 L446 F447 L473	V426-A437 PolarHBondContact N-O 2.63Å; V426-A437 PolarHBondContact O-N 3.38Å; T428-A437 HydrophobicContact CG2-CB 4.2Å; T428-A437 PolarHBondContact OG1-N 2.9Å; T428-A437 VanDerWaalsContact OG1-N 3.12Å; A437-L446 HydrophobicContact CB-CD1 4.04Å; A437-L446 HydrophobicContact CB-CD2 4.29Å; A437-L446 HydrophobicContact CB-CG 4.2Å; A437-F447 CarbonylContact C-O 3.56Å; A437-F447 WeakPolarHBondContact CA-O 3.35Å; A437-F447 VanDerWaalsContact CB-O 3.31Å; A437-F447 WeakPolarHBondContact CB-O 3.43Å; A437-L473 HydrophobicContact CB-CD2 4.17Å
438	L	98.7	Very high	95.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.2	179.7	-47	173.2	0	0	0	109.4	V327 I356 L423 R424 V425 V436 F440 L446 F447	V327-L438 HydrophobicContact CB-CD1 4.5Å; V327-L438 HydrophobicContact CG1-CD1 3.86Å; V327-L438 HydrophobicContact CG2-CD1 3.76Å; I356-L438 HydrophobicContact CB-CD1 4.33Å; I356-L438 HydrophobicContact CD1-CD1 4.12Å; I356-L438 HydrophobicContact CG2-CD1 3.8Å; I356-L438 HydrophobicContact CG2-CD2 4.1Å; L423-L438 HydrophobicContact CB-CB 4.4Å; L423-L438 HydrophobicContact CD1-CD1 4.06Å; R424-L438 WeakPolarHBondContact O-CA 3.49Å; V425-L438 HydrophobicContact CG2-CD2 4.1Å; V436-L438 HydrophobicContact CG2-CD2 4.45Å; L438-F440 PolarHBondContact O-N 2.87Å; L438-L446 WeakPolarHBondContact O-CA 3.04Å; L438-F447 HydrophobicContact CB-CB 4.07Å; L438-F447 HydrophobicContact CB-CD2 4.17Å; L438-F447 HydrophobicContact CG-CB 4.48Å; L438-F447 PolarHBondContact N-O 3.34Å; L438-F447 PolarHBondContact O-N 2.98Å
439	H	98.5	Very high	95.9	Very high	14 Å²	14	15.7 Å²	15.7	7%	0.065	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	108.7	175	-175.6	-159.7	0	0	0	108.8	R424 V426 L441 N444 L446 L476	R424-H439 HydrophobicContact CB-CB 4.38Å; R424-H439 PolarHBondContact N-O 3.19Å; R424-H439 PolarHBondContact O-N 3.02Å; V426-H439 HydrophobicContact CG2-CB 4.02Å; H439-L441 HydrophobicContact CB-CD2 4.49Å; H439-N444 PolarHBondContact NE2-OD1 2.92Å; H439-L446 HydrophobicContact CB-CD1 4.19Å; H439-L476 HydrophobicContact CB-CD1 4.3Å
440	F	98.3	Very high	96	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	108	175.7	178.7	-163.3	0	0	0	108.6	A296 V297 A421 T422 L423 L438 E442 E443 N444 S445 F447 Y482	A296-F440 HydrophobicContact CB-CE1 4.05Å; A296-F440 HydrophobicContact CB-CZ 3.6Å; V297-F440 HydrophobicContact CG2-CD1 4.08Å; V297-F440 HydrophobicContact CG2-CE1 3.64Å; A421-F440 HydrophobicContact CB-CD2 4.21Å; A421-F440 HydrophobicContact CB-CE2 3.62Å; A421-F440 HydrophobicContact CB-CZ 4.12Å; T422-F440 WeakPolarHBondContact O-CA 3.09Å; L423-F440 HydrophobicContact CD2-CB 3.6Å; L423-F440 HydrophobicContact CD2-CD2 4.07Å; L423-F440 HydrophobicContact CD2-CG 3.92Å; L438-F440 PolarHBondContact O-N 2.87Å; F440-E442 VanDerWaalsContact CD2-OE2 3.31Å; F440-E442 WeakPolarHBondContact CD2-OE2 3.39Å; F440-E442 HydrophobicContact CE2-CB 3.83Å; F440-E442 HydrophobicContact CE2-CG 4.44Å; F440-E442 WeakPolarHBondContact CE2-OE2 3.33Å; F440-E442 HydrophobicContact CZ-CB 4.44Å; F440-E443 HydrophobicContact CD1-CB 3.98Å; F440-E443 HydrophobicContact CD1-CG 4.27Å; F440-E443 HydrophobicContact CE1-CB 3.81Å; F440-E443 HydrophobicContact CE1-CG 3.57Å; F440-E443 WeakPolarHBondContact CE1-OE1 3.44Å; F440-E443 WeakPolarHBondContact CE1-OE2 3.34Å; F440-E443 HydrophobicContact CZ-CB 4.21Å; F440-E443 HydrophobicContact CZ-CG 3.77Å; F440-N444 CarbonylContact O-C 3.52Å; F440-N444 WeakPolarHBondContact O-CA 3.44Å; F440-N444 PolarHBondContact O-N 3.38Å; F440-S445 WeakPolarHBondContact CB-O 3.43Å; F440-S445 PolarHBondContact N-O 2.74Å; F440-S445 PolarHBondContact O-N 3.3Å; F440-F447 HydrophobicContact CB-CD2 4.4Å; F440-F447 HydrophobicContact CB-CE2 3.96Å; F440-F447 HydrophobicContact CD1-CE2 4.1Å; F440-F447 HydrophobicContact CG-CE2 4.3Å; F440-Y482 HydrophobicContact CD1-CE2 4.34Å
441	L	97.9	Very high	96.2	Very high	51 Å²	51	15 Å²	15	27%	0.267	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-41.5	-165	-56.2	-174	0	0	0	112.8	T422 R424 H439 E443 N444	T422-L441 HydrophobicContact CG2-CD1 3.66Å; T422-L441 HydrophobicContact CG2-CG 4.2Å; T422-L441 PolarHBondContact O-N 3.23Å; T422-L441 VanDerWaalsContact O-N 3.1Å; R424-L441 HydrophobicContact CB-CD2 4.25Å; H439-L441 HydrophobicContact CB-CD2 4.49Å; L441-E443 PolarHBondContact O-N 2.79Å; L441-N444 PolarHBondContact O-N 3.29Å; L441-N444 VanDerWaalsContact O-N 3.12Å
442	E	97.2	Very high	96.5	Very high	98 Å²	98	14.4 Å²	14.4	46%	0.458	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.9	-173	-63.2	86.2	160	0	0	113.5	A421 T422 F440	A421-E442 WeakPolarHBondContact CA-OE1 3.39Å; T422-E442 VanDerWaalsContact CB-OE1 3.29Å; T422-E442 WeakPolarHBondContact CB-OE1 3.36Å; T422-E442 PolarHBondContact N-OE1 2.95Å; T422-E442 PolarHBondContact N-OE2 2.96Å; T422-E442 PolarHBondContact OG1-OE1 3.17Å; F440-E442 VanDerWaalsContact CD2-OE2 3.31Å; F440-E442 WeakPolarHBondContact CD2-OE2 3.39Å; F440-E442 HydrophobicContact CE2-CB 3.83Å; F440-E442 HydrophobicContact CE2-CG 4.44Å; F440-E442 WeakPolarHBondContact CE2-OE2 3.33Å; F440-E442 HydrophobicContact CZ-CB 4.44Å
443	E	95	Very high	96.7	Very high	52 Å²	52	14.8 Å²	14.8	24%	0.243	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.5	172.6	-71.1	-179	-164.1	0	0	113	S294 F440 L441 S445 Y482	S294-E443 VanDerWaalsContact CB-CD 3.49Å; S294-E443 WeakPolarHBondContact CB-OE1 3.35Å; S294-E443 WeakPolarHBondContact CB-OE2 3.43Å; S294-E443 PolarHBondContact OG-OE1 2.85Å; S294-E443 PolarHBondContact OG-OE2 2.87Å; S294-E443 VanDerWaalsContact OG-OE2 3.05Å; F440-E443 HydrophobicContact CD1-CB 3.98Å; F440-E443 HydrophobicContact CD1-CG 4.27Å; F440-E443 HydrophobicContact CE1-CB 3.81Å; F440-E443 HydrophobicContact CE1-CG 3.57Å; F440-E443 WeakPolarHBondContact CE1-OE1 3.44Å; F440-E443 WeakPolarHBondContact CE1-OE2 3.34Å; F440-E443 HydrophobicContact CZ-CB 4.21Å; F440-E443 HydrophobicContact CZ-CG 3.77Å; L441-E443 PolarHBondContact O-N 2.79Å; E443-S445 PolarHBondContact O-N 3.19Å; E443-S445 VanDerWaalsContact O-N 3.12Å; E443-S445 PolarHBondContact O-OG 3.32Å; E443-Y482 PolarHBondContact OE2-OH 3.49Å
444	N	96.8	Very high	96.8	Very high	51 Å²	51	14.1 Å²	14.1	27%	0.273	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	36	51.3	-165.6	-174.4	37.5	0	0	0	112.7	H439 F440 L441 N477 P478 V479	H439-N444 PolarHBondContact NE2-OD1 2.92Å; F440-N444 CarbonylContact O-C 3.52Å; F440-N444 WeakPolarHBondContact O-CA 3.44Å; F440-N444 PolarHBondContact O-N 3.38Å; L441-N444 PolarHBondContact O-N 3.29Å; L441-N444 VanDerWaalsContact O-N 3.12Å; N444-N477 PolarHBondContact ND2-O 2.98Å; N444-P478 CarbonylContact O-C 3.53Å; N444-P478 VanDerWaalsContact O-CA 3.22Å; N444-P478 WeakPolarHBondContact O-CA 3.34Å; N444-V479 HydrophobicContact CB-CG2 4.27Å; N444-V479 PolarHBondContact O-N 3.47Å
445	S	98	Very high	96.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161.2	-171	-69.6	0	0	0	0	110.7	F440 E443 K480	F440-S445 WeakPolarHBondContact CB-O 3.43Å; F440-S445 PolarHBondContact N-O 2.74Å; F440-S445 PolarHBondContact O-N 3.3Å; E443-S445 PolarHBondContact O-N 3.19Å; E443-S445 VanDerWaalsContact O-N 3.12Å; E443-S445 PolarHBondContact O-OG 3.32Å; S445-K480 CarbonylContact C-O 3.55Å; S445-K480 WeakPolarHBondContact CA-O 3.42Å
446	L	98	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.1	-172.6	-169.1	81.2	0	0	0	111.9	A437 L438 H439 S448 L473 L476 P478 K480 L481 Y482	A437-L446 HydrophobicContact CB-CD1 4.04Å; A437-L446 HydrophobicContact CB-CD2 4.29Å; A437-L446 HydrophobicContact CB-CG 4.2Å; L438-L446 WeakPolarHBondContact O-CA 3.04Å; H439-L446 HydrophobicContact CB-CD1 4.19Å; L446-S448 PolarHBondContact O-N 2.75Å; L446-L473 HydrophobicContact CD1-CD2 3.88Å; L446-L473 HydrophobicContact CD2-CB 4.42Å; L446-L473 HydrophobicContact CD2-CD1 3.73Å; L446-L473 HydrophobicContact CD2-CD2 3.54Å; L446-L473 HydrophobicContact CD2-CG 4.07Å; L446-L473 HydrophobicContact CG-CD2 4.36Å; L446-L476 HydrophobicContact CD1-CD1 4.18Å; L446-P478 HydrophobicContact CB-CB 3.86Å; L446-P478 HydrophobicContact CB-CG 4.06Å; L446-P478 HydrophobicContact CD2-CG 4.49Å; L446-K480 PolarHBondContact N-O 3.15Å; L446-L481 HydrophobicContact CB-CD2 3.89Å; L446-L481 HydrophobicContact CD2-CD2 4.16Å; L446-L481 CarbonylContact O-C 3.6Å; L446-L481 WeakPolarHBondContact O-CA 3.4Å; L446-Y482 PolarHBondContact O-N 2.85Å
447	F	98.7	Very high	95.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	101.3	159.9	-60.9	-86.7	0	0	0	107.6	V297 Y316 V318 L423 A437 L438 F440 Y482	V297-F447 HydrophobicContact CG1-CE1 3.91Å; V297-F447 HydrophobicContact CG1-CZ 3.9Å; V297-F447 HydrophobicContact CG2-CZ 3.79Å; Y316-F447 HydrophobicContact CD1-CD1 4.4Å; Y316-F447 AromaticContact CD1-CE1 3.8Å; Y316-F447 HydrophobicContact CD1-CE1 3.8Å; Y316-F447 AromaticContact CD2-CD1 3.73Å; Y316-F447 HydrophobicContact CD2-CD1 3.73Å; Y316-F447 AromaticContact CD2-CE1 3.91Å; Y316-F447 HydrophobicContact CD2-CE1 3.91Å; Y316-F447 HydrophobicContact CE1-CE1 4.36Å; Y316-F447 HydrophobicContact CE2-CD1 4.14Å; Y316-F447 HydrophobicContact CE2-CE1 4.47Å; Y316-F447 AromaticContact CG-CD1 3.87Å; Y316-F447 HydrophobicContact CG-CD1 3.87Å; Y316-F447 AromaticContact CG-CE1 3.53Å; Y316-F447 HydrophobicContact CG-CE1 3.53Å; V318-F447 HydrophobicContact CG1-CE2 4.43Å; V318-F447 HydrophobicContact CG1-CZ 4.34Å; V318-F447 HydrophobicContact CG2-CE1 4.01Å; V318-F447 HydrophobicContact CG2-CE2 4.06Å; V318-F447 HydrophobicContact CG2-CZ 3.47Å; V318-F447 VanDerWaalsContact CG2-CZ 3.47Å; L423-F447 HydrophobicContact CD2-CD2 4.07Å; L423-F447 HydrophobicContact CD2-CE2 3.76Å; A437-F447 CarbonylContact C-O 3.56Å; A437-F447 WeakPolarHBondContact CA-O 3.35Å; A437-F447 VanDerWaalsContact CB-O 3.31Å; A437-F447 WeakPolarHBondContact CB-O 3.43Å; L438-F447 HydrophobicContact CB-CB 4.07Å; L438-F447 HydrophobicContact CB-CD2 4.17Å; L438-F447 HydrophobicContact CG-CB 4.48Å; L438-F447 PolarHBondContact N-O 3.34Å; L438-F447 PolarHBondContact O-N 2.98Å; F440-F447 HydrophobicContact CB-CD2 4.4Å; F440-F447 HydrophobicContact CB-CE2 3.96Å; F440-F447 HydrophobicContact CD1-CE2 4.1Å; F440-F447 HydrophobicContact CG-CE2 4.3Å; F447-Y482 CarbonylContact C-O 3.37Å; F447-Y482 VanDerWaalsContact CA-O 3.29Å; F447-Y482 WeakPolarHBondContact CA-O 3.45Å; F447-Y482 VanDerWaalsContact CD1-CB 3.4Å; F447-Y482 HydrophobicContact CD1-CD2 4.03Å; F447-Y482 HydrophobicContact CD1-CG 4.05Å; F447-Y482 HydrophobicContact CD2-CD2 4.4Å; F447-Y482 AromaticContact CE1-CD2 3.62Å; F447-Y482 HydrophobicContact CE1-CD2 3.62Å; F447-Y482 HydrophobicContact CE1-CE2 4.49Å; F447-Y482 AromaticContact CE1-CG 3.77Å; F447-Y482 HydrophobicContact CE1-CG 3.77Å; F447-Y482 HydrophobicContact CE2-CD2 4.05Å; F447-Y482 HydrophobicContact CG-CD2 4.39Å; F447-Y482 AromaticContact CZ-CD2 3.63Å; F447-Y482 HydrophobicContact CZ-CD2 3.63Å; F447-Y482 HydrophobicContact CZ-CE2 4.17Å; F447-Y482 HydrophobicContact CZ-CG 4.26Å
448	S	98.2	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-5.3	-168.1	53.3	0	0	0	0	114.3	H435 L446 D450 C451 I452 Y482 P483	H435-S448 PolarHBondContact CE1-O 3.32Å; H435-S448 VanDerWaalsContact CE1-O 3.26Å; L446-S448 PolarHBondContact O-N 2.75Å; S448-D450 PolarHBondContact O-N 2.83Å; S448-C451 WeakPolarHBondContact O-CB 3.48Å; S448-C451 PolarHBondContact O-N 3.22Å; S448-I452 PolarHBondContact OG-O 2.99Å; S448-Y482 PolarHBondContact N-O 3.3Å; S448-P483 WeakPolarHBondContact OG-CA 3.41Å
449	G	97.6	Very high	94.2	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.8	-137.7	-171.5	0	0	0	0	0	110.3	G484	G449-G484 PolarHBondContact O-N 3.04Å
450	D	97.3	Very high	93.7	Very high	12 Å²	12	27.1 Å²	27.1	6%	0.064	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.6	176.9	-99	46.1	0	0	0	114.2	H364 H431 H435 S448 I452 L453 T458 H485	H364-D450 IonicContact CE1-OD1 3.37Å; H364-D450 IonicContact NE2-OD1 3.41Å; H431-D450 IonicContact CE1-OD2 2.66Å; H435-D450 PolarHBondContact NE2-N 3Å; S448-D450 PolarHBondContact O-N 2.83Å; D450-I452 VanDerWaalsContact C-N 3.27Å; D450-I452 PolarHBondContact O-N 3.29Å; D450-L453 HydrophobicContact CB-CD2 4.32Å; D450-L453 WeakPolarHBondContact OD1-CD2 3.42Å; D450-T458 WeakPolarHBondContact O-CB 3.49Å; D450-T458 VanDerWaalsContact O-CG2 3.28Å; D450-T458 WeakPolarHBondContact O-CG2 3.49Å; D450-T458 PolarHBondContact O-OG1 3.02Å; D450-H485 IonicContact OD1-CD2 3.22Å; D450-H485 PolarHBondContact OD1-CD2 3.41Å; D450-H485 IonicContact OD1-NE2 2.77Å; D450-H485 IonicContact OD2-CD2 3.58Å; D450-H485 PolarHBondContact OD2-CD2 3.32Å; D450-H485 IonicContact OD2-NE2 2.66Å
451	C	96.8	Very high	93.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.5	166.9	-173.9	0	0	0	0	112	H435 S448 Y466	H435-C451 PolarHBondContact NE2-N 3.28Å; S448-C451 WeakPolarHBondContact O-CB 3.48Å; S448-C451 PolarHBondContact O-N 3.22Å; C451-Y466 PolarHBondContact O-OH 2.89Å
452	I	97.1	Very high	92.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-144.5	125.1	175.1	-53.4	178.4	0	0	0	110.1	S448 D450 L470 L473 L481 P483 R495 I496 Y499	S448-I452 PolarHBondContact OG-O 2.99Å; D450-I452 VanDerWaalsContact C-N 3.27Å; D450-I452 PolarHBondContact O-N 3.29Å; I452-L470 HydrophobicContact CD1-CD2 3.83Å; I452-L470 HydrophobicContact CG1-CD2 3.77Å; I452-L473 HydrophobicContact CD1-CD1 4.11Å; I452-L481 HydrophobicContact CB-CD1 4.3Å; I452-L481 HydrophobicContact CD1-CD1 4.14Å; I452-L481 HydrophobicContact CG2-CD1 3.69Å; I452-P483 WeakPolarHBondContact O-CB 3.39Å; I452-R495 HydrophobicContact CG2-CG 3.69Å; I452-I496 HydrophobicContact CD1-CB 4.45Å; I452-I496 HydrophobicContact CD1-CG1 3.54Å; I452-Y499 HydrophobicContact CB-CD1 4.35Å; I452-Y499 HydrophobicContact CB-CE1 4.13Å; I452-Y499 HydrophobicContact CG1-CD1 4.02Å; I452-Y499 HydrophobicContact CG1-CE1 4.26Å; I452-Y499 HydrophobicContact CG2-CD1 4.09Å; I452-Y499 HydrophobicContact CG2-CE1 3.88Å; I452-Y499 HydrophobicContact CG2-CE2 4.32Å; I452-Y499 HydrophobicContact CG2-CG 4.44Å
453	L	95.7	Very high	92.4	Very high	8 Å²	8	23 Å²	23	4%	0.042	15%	0.146	C	C	.	.			trans	-98.9	153.6	179.4	-52.9	-175.5	0	0	0	112.9	D450 H455 H485 Y499	D450-L453 HydrophobicContact CB-CD2 4.32Å; D450-L453 WeakPolarHBondContact OD1-CD2 3.42Å; L453-H455 VanDerWaalsContact C-N 3.27Å; L453-H455 WeakPolarHBondContact CB-O 3.4Å; L453-H455 PolarHBondContact O-N 3.13Å; L453-H485 HydrophobicContact CD2-CB 4.16Å; L453-Y499 PolarHBondContact N-OH 3.41Å; L453-Y499 VanDerWaalsContact N-OH 3.12Å
454	G	91	Very high	92.2	Very high	2 Å²	2	26 Å²	26	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-65	-29.8	178.1	0	0	0	0	0	113.8	H485 P487 R495	G454-H485 PolarHBondContact N-O 3.08Å; G454-P487 WeakPolarHBondContact CA-O 3.46Å; G454-R495 VanDerWaalsContact O-CZ 3.29Å; G454-R495 PolarHBondContact O-NH1 2.93Å; G454-R495 PolarHBondContact O-NH2 3.49Å
455	H	85.2	Confident	92	Very high	99 Å²	99	24.9 Å²	24.9	46%	0.458	15%	0.154	S	C	.	.	S	Bend	trans	-138	155.1	176.4	-170.6	85.5	0	0	0	110.1	L310 L453	L310-H455 HydrophobicContact CD1-CB 4.15Å; L453-H455 VanDerWaalsContact C-N 3.27Å; L453-H455 WeakPolarHBondContact CB-O 3.4Å; L453-H455 PolarHBondContact O-N 3.13Å
456	G	82	Confident	91.9	Very high	46 Å²	46	24.7 Å²	24.7	47%	0.474	15%	0.153	S	C	.	.	S	Bend	trans	63.7	-147.1	179.7	0	0	0	0	0	114.3	Y499	G456-Y499 PolarHBondContact O-OH 2.88Å; G456-Y499 VanDerWaalsContact O-OH 3.09Å
457	S	84.1	Confident	91.8	Very high	53 Å²	53	25.4 Å²	25.4	37%	0.371	16%	0.156	S	C	.	.			trans	-140.1	143.5	-178.4	-163.8	0	0	0	0	110.5	Y499 R503	S457-Y499 WeakPolarHBondContact CA-OH 3.38Å; S457-R503 PolarHBondContact OG-NH1 2.87Å; S457-R503 PolarHBondContact OG-NH2 3.43Å
458	T	88.8	Confident	91.6	Very high	11 Å²	11	29.2 Å²	29.2	7%	0.067	18%	0.183	C	C	.	.			trans	-79.2	162.5	-179.6	-172.8	0	0	0	0	114	H431 D450 Y466 Y499 R503	H431-T458 PolarHBondContact CE1-OG1 2.99Å; H431-T458 PolarHBondContact ND1-OG1 3.27Å; H431-T458 VanDerWaalsContact ND1-OG1 3.08Å; D450-T458 WeakPolarHBondContact O-CB 3.49Å; D450-T458 VanDerWaalsContact O-CG2 3.28Å; D450-T458 WeakPolarHBondContact O-CG2 3.49Å; D450-T458 PolarHBondContact O-OG1 3.02Å; T458-Y466 HydrophobicContact CG2-CE2 3.64Å; T458-Y466 WeakPolarHBondContact CG2-OH 3.41Å; T458-Y499 HydrophobicContact CG2-CE1 4.2Å; T458-R503 PolarHBondContact O-NH2 2.96Å
459	A	86	Confident	91.6	Very high	57 Å²	57	29.4 Å²	29.4	47%	0.471	18%	0.184	S	C	.	.			trans	-71.6	158.8	163.3	0	0	0	0	0	111.9	H431	H431-A459 PolarHBondContact ND1-O 3.41Å
460	V	88.8	Confident	91.6	Very high	21 Å²	21	29.3 Å²	29.3	13%	0.127	18%	0.183	C	C	.	.			trans	-144.6	125.8	-175.2	178	0	0	0	0	109.2	G430 M463 Y466 R503	G430-V460 CarbonylContact O-C 3.38Å; G430-V460 WeakPolarHBondContact O-CA 3.4Å; G430-V460 VanDerWaalsContact O-CG1 3.29Å; G430-V460 WeakPolarHBondContact O-CG1 3.35Å; V460-M463 HydrophobicContact CB-CE 4.04Å; V460-M463 HydrophobicContact CG1-CB 4.32Å; V460-M463 HydrophobicContact CG1-CE 3.8Å; V460-M463 HydrophobicContact CG1-SD 4.19Å; V460-M463 HydrophobicContact CG2-CE 4.15Å; V460-Y466 HydrophobicContact CG1-CD1 4.32Å; V460-Y466 HydrophobicContact CG1-CD2 4.3Å; V460-Y466 HydrophobicContact CG1-CG 3.87Å; V460-Y466 HydrophobicContact CG2-CD1 3.94Å; V460-Y466 HydrophobicContact CG2-CD2 3.79Å; V460-Y466 HydrophobicContact CG2-CE1 3.97Å; V460-Y466 HydrophobicContact CG2-CE2 3.81Å; V460-Y466 HydrophobicContact CG2-CG 3.85Å; V460-R503 VanDerWaalsContact CG2-NH2 3.32Å
461	S	84.8	Confident	91.6	Very high	32 Å²	32	32.6 Å²	32.6	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-86.3	-41.9	172.8	69	0	0	0	0	112.4	G430 H431 T548	G430-S461 PolarHBondContact O-N 3.26Å; G430-S461 PolarHBondContact O-OG 2.95Å; H431-S461 WeakPolarHBondContact O-CB 3.42Å; H431-S461 PolarHBondContact O-N 3.05Å; H431-S461 PolarHBondContact O-OG 3.26Å; H431-S461 VanDerWaalsContact O-OG 3.12Å; S461-T548 WeakPolarHBondContact O-CG2 3.28Å
462	N	88	Confident	91.7	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.171	22%	0.219	C	C	.	.			trans	-131.5	104.3	179.9	-175.9	-24.9	0	0	0	110.6	E395 G430 K464 S465 Y466	E395-N462 PolarHBondContact OE1-ND2 3.2Å; G430-N462 WeakPolarHBondContact CA-O 3.37Å; G430-N462 PolarHBondContact O-N 3.34Å; G430-N462 VanDerWaalsContact O-N 3.1Å; N462-K464 VanDerWaalsContact C-N 3.29Å; N462-K464 PolarHBondContact O-N 3.46Å; N462-K464 WeakPolarHBondContact OD1-CB 3.35Å; N462-K464 PolarHBondContact OD1-N 3.45Å; N462-S465 PolarHBondContact ND2-OG 3.26Å; N462-S465 PolarHBondContact O-N 3.49Å; N462-S465 PolarHBondContact OD1-N 3.19Å; N462-Y466 WeakPolarHBondContact O-CB 3.43Å; N462-Y466 PolarHBondContact O-N 3.07Å
463	M	92	Very high	91.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-26.5	-177.1	-168.3	62.5	64.5	0	0	113.3	V460 Y466 M467 R503 N545 T548 H549 K552	V460-M463 HydrophobicContact CB-CE 4.04Å; V460-M463 HydrophobicContact CG1-CB 4.32Å; V460-M463 HydrophobicContact CG1-CE 3.8Å; V460-M463 HydrophobicContact CG1-SD 4.19Å; V460-M463 HydrophobicContact CG2-CE 4.15Å; M463-Y466 HydrophobicContact SD-CD1 4.06Å; M463-M467 HydrophobicContact CG-CG 4.3Å; M463-M467 WeakPolarHBondContact O-CB 3.34Å; M463-M467 WeakPolarHBondContact O-CG 3.33Å; M463-M467 PolarHBondContact O-N 3.31Å; M463-M467 HydrophobicContact SD-CG 4.14Å; M463-R503 HydrophobicContact SD-CB 4.39Å; M463-R503 HydrophobicContact SD-CG 4.13Å; M463-N545 WeakPolarHBondContact CE-ND2 3.41Å; M463-T548 VanDerWaalsContact CB-O 3.29Å; M463-T548 WeakPolarHBondContact CB-O 3.48Å; M463-H549 WeakPolarHBondContact CE-NE2 3.2Å; M463-K552 HydrophobicContact CB-CB 4.08Å; M463-K552 HydrophobicContact CB-CD 4.18Å; M463-K552 HydrophobicContact CG-CB 4.43Å; M463-K552 HydrophobicContact CG-CD 3.78Å
464	K	91.3	Very high	91.7	Very high	113 Å²	113	41.7 Å²	41.7	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-51	177.8	-174.7	-177	177.9	-175.7	0	109.9	N462 S468 K552 D555	N462-K464 VanDerWaalsContact C-N 3.29Å; N462-K464 PolarHBondContact O-N 3.46Å; N462-K464 WeakPolarHBondContact OD1-CB 3.35Å; N462-K464 PolarHBondContact OD1-N 3.45Å; K464-S468 PolarHBondContact O-N 3.32Å; K464-S468 VanDerWaalsContact O-N 3.13Å; K464-K552 HydrophobicContact CB-CB 4.32Å; K464-K552 HydrophobicContact CB-CG 4.19Å; K464-D555 WeakPolarHBondContact CE-OD2 3.49Å; K464-D555 IonicContact NZ-OD2 3.82Å; K464-D555 PolarHBondContact NZ-OD2 2.74Å
465	S	93.1	Very high	92	Very high	28 Å²	28	44.9 Å²	44.9	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-48.2	174.3	-55	0	0	0	0	111.2	P429 N462 M467 S468 S469	P429-S465 CarbonylContact O-C 3.52Å; P429-S465 WeakPolarHBondContact O-CB 3.3Å; N462-S465 PolarHBondContact ND2-OG 3.26Å; N462-S465 PolarHBondContact O-N 3.49Å; N462-S465 PolarHBondContact OD1-N 3.19Å; S465-M467 PolarHBondContact O-N 3.14Å; S465-S468 CarbonylContact O-C 3.6Å; S465-S468 WeakPolarHBondContact O-CA 3.29Å; S465-S468 VanDerWaalsContact O-CB 3.29Å; S465-S468 WeakPolarHBondContact O-CB 3.37Å; S465-S468 PolarHBondContact O-N 2.7Å; S465-S469 PolarHBondContact O-N 2.91Å; S465-S469 PolarHBondContact O-OG 3.08Å; S465-S469 VanDerWaalsContact O-OG 3.07Å
466	Y	95.2	Very high	92.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-42.3	-179.8	179.1	-93.9	0	0	0	113	P429 C451 T458 V460 N462 M463 S468 S469 L470 Y499 R503	P429-Y466 PolarHBondContact O-N 3.42Å; C451-Y466 PolarHBondContact O-OH 2.89Å; T458-Y466 HydrophobicContact CG2-CE2 3.64Å; T458-Y466 WeakPolarHBondContact CG2-OH 3.41Å; V460-Y466 HydrophobicContact CG1-CD1 4.32Å; V460-Y466 HydrophobicContact CG1-CD2 4.3Å; V460-Y466 HydrophobicContact CG1-CG 3.87Å; V460-Y466 HydrophobicContact CG2-CD1 3.94Å; V460-Y466 HydrophobicContact CG2-CD2 3.79Å; V460-Y466 HydrophobicContact CG2-CE1 3.97Å; V460-Y466 HydrophobicContact CG2-CE2 3.81Å; V460-Y466 HydrophobicContact CG2-CG 3.85Å; N462-Y466 WeakPolarHBondContact O-CB 3.43Å; N462-Y466 PolarHBondContact O-N 3.07Å; M463-Y466 HydrophobicContact SD-CD1 4.06Å; Y466-S468 VanDerWaalsContact C-N 3.34Å; Y466-S469 WeakPolarHBondContact O-CB 3.22Å; Y466-S469 PolarHBondContact O-N 3.15Å; Y466-L470 HydrophobicContact CD1-CD1 4.01Å; Y466-L470 HydrophobicContact CD1-CG 4.34Å; Y466-L470 HydrophobicContact CE1-CD1 3.37Å; Y466-L470 HydrophobicContact CE1-CG 3.96Å; Y466-L470 PolarHBondContact O-N 3.32Å; Y466-Y499 VanDerWaalsContact OH-CD1 3.24Å; Y466-Y499 WeakPolarHBondContact OH-CD1 3.39Å; Y466-R503 HydrophobicContact CE1-CG 3.97Å; Y466-R503 PolarHBondContact OH-NH2 3.43Å
467	M	95.4	Very high	93.2	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.069	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-29.8	175.7	-70.6	-62.7	-71.3	0	0	112.7	M463 S465 L470 N471 I500 R503 N504	M463-M467 HydrophobicContact CG-CG 4.3Å; M463-M467 WeakPolarHBondContact O-CB 3.34Å; M463-M467 WeakPolarHBondContact O-CG 3.33Å; M463-M467 PolarHBondContact O-N 3.31Å; M463-M467 HydrophobicContact SD-CG 4.14Å; S465-M467 PolarHBondContact O-N 3.14Å; M467-L470 HydrophobicContact SD-CD1 4.18Å; M467-N471 PolarHBondContact O-N 3.44Å; M467-N471 PolarHBondContact O-ND2 2.79Å; M467-I500 HydrophobicContact CE-CG2 4.11Å; M467-R503 HydrophobicContact CE-CB 4.13Å; M467-R503 HydrophobicContact SD-CB 3.49Å; M467-R503 WeakPolarHBondContact SD-CB 3.36Å; M467-R503 HydrophobicContact SD-CG 3.85Å; M467-N504 VanDerWaalsContact CE-OD1 3.23Å; M467-N504 WeakPolarHBondContact CE-OD1 3.33Å
468	S	96.2	Very high	93.8	Very high	82 Å²	82	42.3 Å²	42.3	57%	0.573	25%	0.245	S	C	*	.	H	α-helix	trans	-65.2	-47.5	169.3	-167.6	0	0	0	0	110.7	K464 S465 Y466 L470 N471 R472	K464-S468 PolarHBondContact O-N 3.32Å; K464-S468 VanDerWaalsContact O-N 3.13Å; S465-S468 CarbonylContact O-C 3.6Å; S465-S468 WeakPolarHBondContact O-CA 3.29Å; S465-S468 VanDerWaalsContact O-CB 3.29Å; S465-S468 WeakPolarHBondContact O-CB 3.37Å; S465-S468 PolarHBondContact O-N 2.7Å; Y466-S468 VanDerWaalsContact C-N 3.34Å; S468-L470 PolarHBondContact O-N 3.42Å; S468-N471 PolarHBondContact O-N 2.97Å; S468-N471 VanDerWaalsContact O-N 3.13Å; S468-R472 PolarHBondContact O-N 3.36Å
469	S	97.8	Very high	94.1	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-46.3	176.8	-61.1	0	0	0	0	112.8	T428 P429 S465 Y466 N471 R472 L473	T428-S469 VanDerWaalsContact CA-OG 3.24Å; T428-S469 WeakPolarHBondContact CA-OG 3.44Å; T428-S469 PolarHBondContact O-OG 2.75Å; P429-S469 WeakPolarHBondContact CD-OG 3.41Å; P429-S469 PolarHBondContact O-OG 3.41Å; S465-S469 PolarHBondContact O-N 2.91Å; S465-S469 PolarHBondContact O-OG 3.08Å; S465-S469 VanDerWaalsContact O-OG 3.07Å; Y466-S469 WeakPolarHBondContact O-CB 3.22Å; Y466-S469 PolarHBondContact O-N 3.15Å; S469-N471 VanDerWaalsContact C-N 3.34Å; S469-N471 PolarHBondContact O-N 3.25Å; S469-R472 WeakPolarHBondContact O-CB 3.34Å; S469-R472 PolarHBondContact O-N 3.29Å; S469-L473 WeakPolarHBondContact O-CG 3.36Å; S469-L473 PolarHBondContact O-N 2.78Å
470	L	97.7	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-38.2	174.9	-71.5	-176.8	0	0	0	112.9	I452 Y466 M467 S468 L473 K474 I496 Y499 I500	I452-L470 HydrophobicContact CD1-CD2 3.83Å; I452-L470 HydrophobicContact CG1-CD2 3.77Å; Y466-L470 HydrophobicContact CD1-CD1 4.01Å; Y466-L470 HydrophobicContact CD1-CG 4.34Å; Y466-L470 HydrophobicContact CE1-CD1 3.37Å; Y466-L470 HydrophobicContact CE1-CG 3.96Å; Y466-L470 PolarHBondContact O-N 3.32Å; M467-L470 HydrophobicContact SD-CD1 4.18Å; S468-L470 PolarHBondContact O-N 3.42Å; L470-L473 PolarHBondContact O-N 2.98Å; L470-K474 WeakPolarHBondContact O-CB 3.45Å; L470-K474 PolarHBondContact O-N 2.7Å; L470-I496 WeakPolarHBondContact O-CG2 3.11Å; L470-Y499 HydrophobicContact CD2-CD1 4.34Å; L470-I500 HydrophobicContact CB-CD1 4.19Å; L470-I500 HydrophobicContact CB-CG1 3.76Å; L470-I500 HydrophobicContact CD1-CG1 4.04Å
471	N	97.3	Very high	95.1	Very high	82 Å²	82	43.5 Å²	43.5	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-70.4	-33.7	174.8	-78.8	-73.7	0	0	0	112.3	M467 S468 S469 K474 G475	M467-N471 PolarHBondContact O-N 3.44Å; M467-N471 PolarHBondContact O-ND2 2.79Å; S468-N471 PolarHBondContact O-N 2.97Å; S468-N471 VanDerWaalsContact O-N 3.13Å; S469-N471 VanDerWaalsContact C-N 3.34Å; S469-N471 PolarHBondContact O-N 3.25Å; N471-K474 WeakPolarHBondContact O-CB 3.45Å; N471-K474 PolarHBondContact O-N 2.92Å; N471-G475 PolarHBondContact O-N 2.8Å; N471-G475 VanDerWaalsContact O-N 3.11Å
472	R	97.5	Very high	95.7	Very high	99 Å²	99	42 Å²	42	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-47.8	171.5	-171.1	-179.1	-171.3	-170.4	4.5	111.2	D412 V426 H427 S468 S469 G475 L476	D412-R472 VanDerWaalsContact CG-NH1 3.32Å; D412-R472 VanDerWaalsContact CG-NH2 3.32Å; D412-R472 IonicContact OD1-CZ 3.8Å; D412-R472 IonicContact OD1-NH1 2.68Å; D412-R472 PolarHBondContact OD1-NH1 3.36Å; D412-R472 IonicContact OD1-NH2 2.81Å; D412-R472 PolarHBondContact OD1-NH2 3.37Å; D412-R472 VanDerWaalsContact OD1-NH2 3.15Å; D412-R472 IonicContact OD2-CZ 3.58Å; D412-R472 IonicContact OD2-NH1 3.13Å; D412-R472 PolarHBondContact OD2-NH1 2.74Å; D412-R472 IonicContact OD2-NH2 2.7Å; D412-R472 PolarHBondContact OD2-NH2 2.96Å; V426-R472 HydrophobicContact CG1-CG 4.35Å; H427-R472 PolarHBondContact O-NH1 2.76Å; S468-R472 PolarHBondContact O-N 3.36Å; S469-R472 WeakPolarHBondContact O-CB 3.34Å; S469-R472 PolarHBondContact O-N 3.29Å; R472-G475 WeakPolarHBondContact O-CA 3.48Å; R472-G475 PolarHBondContact O-N 3.19Å; R472-G475 VanDerWaalsContact O-N 3.1Å; R472-L476 PolarHBondContact O-N 3Å
473	L	97.6	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-38.1	177.4	-67.2	-177.2	0	0	0	112.4	V426 T428 A437 L446 I452 S469 L470 G475 L476 P478 I496	V426-L473 HydrophobicContact CG1-CD2 4.27Å; T428-L473 HydrophobicContact CG2-CD1 4.11Å; T428-L473 HydrophobicContact CG2-CD2 3.8Å; T428-L473 HydrophobicContact CG2-CG 3.89Å; A437-L473 HydrophobicContact CB-CD2 4.17Å; L446-L473 HydrophobicContact CD1-CD2 3.88Å; L446-L473 HydrophobicContact CD2-CB 4.42Å; L446-L473 HydrophobicContact CD2-CD1 3.73Å; L446-L473 HydrophobicContact CD2-CD2 3.54Å; L446-L473 HydrophobicContact CD2-CG 4.07Å; L446-L473 HydrophobicContact CG-CD2 4.36Å; I452-L473 HydrophobicContact CD1-CD1 4.11Å; S469-L473 WeakPolarHBondContact O-CG 3.36Å; S469-L473 PolarHBondContact O-N 2.78Å; L470-L473 PolarHBondContact O-N 2.98Å; L473-G475 PolarHBondContact O-N 2.81Å; L473-L476 HydrophobicContact CD2-CD1 3.95Å; L473-L476 WeakPolarHBondContact O-CB 3.12Å; L473-L476 PolarHBondContact O-N 3.14Å; L473-L476 VanDerWaalsContact O-N 3.11Å; L473-P478 WeakPolarHBondContact O-CD 3.41Å; L473-I496 HydrophobicContact CB-CD1 4.38Å
474	K	96.9	Very high	96.5	Very high	100 Å²	100	40.6 Å²	40.6	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-55.8	-40.5	170.2	-178.6	-176.5	169.1	-178.9	0	111.6	L470 N471 L476 N477 I496 L497 I500	L470-K474 WeakPolarHBondContact O-CB 3.45Å; L470-K474 PolarHBondContact O-N 2.7Å; N471-K474 WeakPolarHBondContact O-CB 3.45Å; N471-K474 PolarHBondContact O-N 2.92Å; K474-L476 PolarHBondContact O-N 2.9Å; K474-N477 PolarHBondContact O-N 3Å; K474-N477 VanDerWaalsContact O-N 3.1Å; K474-I496 HydrophobicContact CB-CG2 3.76Å; K474-L497 HydrophobicContact CD-CD2 4Å; K474-I500 HydrophobicContact CB-CD1 4.36Å; K474-I500 HydrophobicContact CD-CD1 4.09Å
475	G	95.8	Very high	96.7	Very high	68 Å²	68	35.3 Å²	35.3	70%	0.701	20%	0.203	S	C	*	.	H	α-helix	trans	-65	-20.8	177.9	0	0	0	0	0	114.9	N471 R472 L473	N471-G475 PolarHBondContact O-N 2.8Å; N471-G475 VanDerWaalsContact O-N 3.11Å; R472-G475 WeakPolarHBondContact O-CA 3.48Å; R472-G475 PolarHBondContact O-N 3.19Å; R472-G475 VanDerWaalsContact O-N 3.1Å; L473-G475 PolarHBondContact O-N 2.81Å
476	L	96.1	Very high	96.7	Very high	47 Å²	47	34 Å²	34	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-81	-18.5	173.5	-57.3	176.1	0	0	0	112.7	V426 H439 L446 R472 L473 K474	V426-L476 HydrophobicContact CG1-CD1 4.35Å; V426-L476 HydrophobicContact CG2-CD1 4.02Å; H439-L476 HydrophobicContact CB-CD1 4.3Å; L446-L476 HydrophobicContact CD1-CD1 4.18Å; R472-L476 PolarHBondContact O-N 3Å; L473-L476 HydrophobicContact CD2-CD1 3.95Å; L473-L476 WeakPolarHBondContact O-CB 3.12Å; L473-L476 PolarHBondContact O-N 3.14Å; L473-L476 VanDerWaalsContact O-N 3.11Å; K474-L476 PolarHBondContact O-N 2.9Å
477	N	96.2	Very high	96.7	Very high	97 Å²	97	36 Å²	36	52%	0.519	21%	0.207	S	C	.	.			trans	42.3	55.2	-174.9	-166	61.3	0	0	0	113.6	N444 K474 P493	N444-N477 PolarHBondContact ND2-O 2.98Å; K474-N477 PolarHBondContact O-N 3Å; K474-N477 VanDerWaalsContact O-N 3.1Å; N477-P493 WeakPolarHBondContact OD1-CG 3.46Å
478	P	96.7	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.			trans	-71.1	133.8	-176.8	31	-34.6	0	0	0	110.2	N444 L446 L473 K480 L481 G492 P493 I496	N444-P478 CarbonylContact O-C 3.53Å; N444-P478 VanDerWaalsContact O-CA 3.22Å; N444-P478 WeakPolarHBondContact O-CA 3.34Å; L446-P478 HydrophobicContact CB-CB 3.86Å; L446-P478 HydrophobicContact CB-CG 4.06Å; L446-P478 HydrophobicContact CD2-CG 4.49Å; L473-P478 WeakPolarHBondContact O-CD 3.41Å; P478-K480 PolarHBondContact O-N 3.47Å; P478-L481 HydrophobicContact CB-CD2 4.34Å; P478-L481 HydrophobicContact CG-CD2 3.77Å; P478-G492 WeakPolarHBondContact O-CA 3.39Å; P478-P493 WeakPolarHBondContact O-CD 3.36Å; P478-I496 HydrophobicContact CG-CD1 3.76Å
479	V	96.7	Very high	96.7	Very high	82 Å²	82	33.2 Å²	33.2	50%	0.497	19%	0.187	S	C	.	.	S	Bend	trans	-61.8	-44.8	-177.9	-178.8	0	0	0	0	110.9	N444 G492	N444-V479 HydrophobicContact CB-CG2 4.27Å; N444-V479 PolarHBondContact O-N 3.47Å; V479-G492 PolarHBondContact O-N 3.45Å
480	K	96.2	Very high	96.5	Very high	33 Å²	33	39.1 Å²	39.1	14%	0.143	21%	0.214	C	C	.	.			trans	-135.2	147.5	-171.8	171.1	-176.4	-64.9	-128.6	0	110.9	S445 L446 P478 Y482 V488 V489 E490	S445-K480 CarbonylContact C-O 3.55Å; S445-K480 WeakPolarHBondContact CA-O 3.42Å; L446-K480 PolarHBondContact N-O 3.15Å; P478-K480 PolarHBondContact O-N 3.47Å; K480-Y482 HydrophobicContact CD-CE1 3.66Å; K480-Y482 HydrophobicContact CD-CE2 4.42Å; K480-Y482 WeakPolarHBondContact CD-OH 3.37Å; K480-Y482 HydrophobicContact CG-CE1 4.2Å; K480-V488 HydrophobicContact CD-CG1 3.7Å; K480-V488 HydrophobicContact CG-CG1 3.69Å; K480-V489 CarbonylContact C-O 2.85Å; K480-V489 VanDerWaalsContact CA-O 3.26Å; K480-V489 WeakPolarHBondContact CA-O 3.41Å; K480-V489 WeakPolarHBondContact CG-O 2.98Å; K480-E490 WeakPolarHBondContact CE-OE1 3.45Å; K480-E490 VanDerWaalsContact CE-OE2 3.25Å; K480-E490 WeakPolarHBondContact CE-OE2 3.39Å; K480-E490 IonicContact NZ-OE1 3.89Å; K480-E490 PolarHBondContact NZ-OE1 3.08Å; K480-E490 IonicContact NZ-OE2 2.98Å; K480-E490 PolarHBondContact NZ-OE2 2.76Å
481	L	98.2	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.8	173.8	-38	175.4	0	0	0	111.7	L446 I452 P478 P483 V489 R495 I496	L446-L481 HydrophobicContact CB-CD2 3.89Å; L446-L481 HydrophobicContact CD2-CD2 4.16Å; L446-L481 CarbonylContact O-C 3.6Å; L446-L481 WeakPolarHBondContact O-CA 3.4Å; I452-L481 HydrophobicContact CB-CD1 4.3Å; I452-L481 HydrophobicContact CD1-CD1 4.14Å; I452-L481 HydrophobicContact CG2-CD1 3.69Å; P478-L481 HydrophobicContact CB-CD2 4.34Å; P478-L481 HydrophobicContact CG-CD2 3.77Å; L481-P483 WeakPolarHBondContact O-CD 3.32Å; L481-V489 HydrophobicContact CB-CB 3.94Å; L481-V489 HydrophobicContact CB-CG2 4.31Å; L481-V489 HydrophobicContact CD1-CB 4.29Å; L481-V489 HydrophobicContact CD1-CG1 4.33Å; L481-V489 HydrophobicContact CD1-CG2 4.49Å; L481-V489 HydrophobicContact CG-CB 4.14Å; L481-V489 HydrophobicContact CG-CG1 4.42Å; L481-V489 PolarHBondContact N-O 2.8Å; L481-V489 PolarHBondContact O-N 3.41Å; L481-R495 HydrophobicContact CD1-CB 4.02Å; L481-R495 HydrophobicContact CD1-CG 3.87Å; L481-I496 HydrophobicContact CD2-CD1 4.41Å
482	Y	98.4	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	88.5	171.6	-62	-57.8	0	0	0	108	V293 S294 V297 Y316 F440 E443 L446 F447 S448 K480 V488	V293-Y482 HydrophobicContact CB-CE1 4.22Å; V293-Y482 HydrophobicContact CG2-CD1 4.09Å; V293-Y482 HydrophobicContact CG2-CE1 3.65Å; S294-Y482 VanDerWaalsContact CB-OH 3.31Å; S294-Y482 WeakPolarHBondContact CB-OH 3.23Å; V297-Y482 HydrophobicContact CG1-CE1 4.48Å; V297-Y482 HydrophobicContact CG2-CE2 4.09Å; Y316-Y482 HydrophobicContact CE1-CD1 4.07Å; Y316-Y482 HydrophobicContact CE1-CG 4.26Å; Y316-Y482 WeakPolarHBondContact OH-CA 3.29Å; F440-Y482 HydrophobicContact CD1-CE2 4.34Å; E443-Y482 PolarHBondContact OE2-OH 3.49Å; L446-Y482 PolarHBondContact O-N 2.85Å; F447-Y482 CarbonylContact C-O 3.37Å; F447-Y482 VanDerWaalsContact CA-O 3.29Å; F447-Y482 WeakPolarHBondContact CA-O 3.45Å; F447-Y482 VanDerWaalsContact CD1-CB 3.4Å; F447-Y482 HydrophobicContact CD1-CD2 4.03Å; F447-Y482 HydrophobicContact CD1-CG 4.05Å; F447-Y482 HydrophobicContact CD2-CD2 4.4Å; F447-Y482 AromaticContact CE1-CD2 3.62Å; F447-Y482 HydrophobicContact CE1-CD2 3.62Å; F447-Y482 HydrophobicContact CE1-CE2 4.49Å; F447-Y482 AromaticContact CE1-CG 3.77Å; F447-Y482 HydrophobicContact CE1-CG 3.77Å; F447-Y482 HydrophobicContact CE2-CD2 4.05Å; F447-Y482 HydrophobicContact CG-CD2 4.39Å; F447-Y482 AromaticContact CZ-CD2 3.63Å; F447-Y482 HydrophobicContact CZ-CD2 3.63Å; F447-Y482 HydrophobicContact CZ-CE2 4.17Å; F447-Y482 HydrophobicContact CZ-CG 4.26Å; S448-Y482 PolarHBondContact N-O 3.3Å; K480-Y482 HydrophobicContact CD-CE1 3.66Å; K480-Y482 HydrophobicContact CD-CE2 4.42Å; K480-Y482 WeakPolarHBondContact CD-OH 3.37Å; K480-Y482 HydrophobicContact CG-CE1 4.2Å; Y482-V488 HydrophobicContact CD1-CG1 3.99Å; Y482-V488 HydrophobicContact CD1-CG2 4.18Å; Y482-V488 HydrophobicContact CE1-CG1 3.92Å; Y482-V488 HydrophobicContact CE1-CG2 4.41Å
483	P	98.2	Very high	96.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	159.2	-170.3	32.9	-37.4	0	0	0	113.2	N314 Y316 S448 I452 L481 H485 P487	N314-P483 VanDerWaalsContact CB-O 3.29Å; N314-P483 WeakPolarHBondContact CB-O 3.28Å; N314-P483 PolarHBondContact ND2-O 3.11Å; Y316-P483 PolarHBondContact OH-O 2.91Å; S448-P483 WeakPolarHBondContact OG-CA 3.41Å; I452-P483 WeakPolarHBondContact O-CB 3.39Å; L481-P483 WeakPolarHBondContact O-CD 3.32Å; P483-H485 VanDerWaalsContact C-N 3.26Å; P483-H485 WeakPolarHBondContact CB-O 3.2Å; P483-H485 WeakPolarHBondContact CG-O 3.44Å; P483-H485 PolarHBondContact O-N 3.25Å; P483-P487 WeakPolarHBondContact CG-O 3.46Å
484	G	97.4	Very high	96.1	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	-57.9	-38.3	171.2	0	0	0	0	0	112.6	N314 G449	N314-G484 WeakPolarHBondContact CB-O 3.46Å; N314-G484 PolarHBondContact N-O 2.65Å; G449-G484 PolarHBondContact O-N 3.04Å
485	H	96.3	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-132.9	147.9	174.9	-57.7	-60.8	0	0	0	113.5	T309 L310 G312 S313 H364 D450 L453 G454 P483	T309-H485 WeakPolarHBondContact CA-ND1 3.41Å; T309-H485 PolarHBondContact O-ND1 3.48Å; L310-H485 HydrophobicContact CB-CB 4.27Å; L310-H485 HydrophobicContact CD1-CB 3.93Å; L310-H485 HydrophobicContact CG-CB 4.03Å; G312-H485 PolarHBondContact O-ND1 2.89Å; S313-H485 WeakPolarHBondContact CA-ND1 3.47Å; H364-H485 AromaticContact NE2-CE1 3.92Å; H364-H485 AromaticContact NE2-NE2 3.45Å; H364-H485 PolarHBondContact NE2-NE2 2.88Å; D450-H485 IonicContact OD1-CD2 3.22Å; D450-H485 PolarHBondContact OD1-CD2 3.41Å; D450-H485 IonicContact OD1-NE2 2.77Å; D450-H485 IonicContact OD2-CD2 3.58Å; D450-H485 PolarHBondContact OD2-CD2 3.32Å; D450-H485 IonicContact OD2-NE2 2.66Å; L453-H485 HydrophobicContact CD2-CB 4.16Å; G454-H485 PolarHBondContact N-O 3.08Å; P483-H485 VanDerWaalsContact C-N 3.26Å; P483-H485 WeakPolarHBondContact CB-O 3.2Å; P483-H485 WeakPolarHBondContact CG-O 3.44Å; P483-H485 PolarHBondContact O-N 3.25Å
486	G	93.8	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	91.5	-170.5	172.6	0	0	0	0	0	115.4	N314	N314-G486 PolarHBondContact ND2-N 2.92Å; N314-G486 PolarHBondContact ND2-O 3.35Å
487	P	94.1	Very high	96.1	Very high	44 Å²	44	34.4 Å²	34.4	29%	0.286	18%	0.183	S	C	.	.	S	Bend	trans	-68.6	156.4	-179.4	28.8	-36	0	0	0	112.6	L287 G454 P483	L287-P487 HydrophobicContact CD2-CB 4.26Å; G454-P487 WeakPolarHBondContact CA-O 3.46Å; P483-P487 WeakPolarHBondContact CG-O 3.46Å
488	V	95.9	Very high	95.9	Very high	29 Å²	29	37.1 Å²	37.1	18%	0.176	19%	0.186	C	C	.	.			trans	-57.3	141.5	167	-178.3	0	0	0	0	109.6	V293 K480 Y482 E490	V293-V488 HydrophobicContact CB-CG2 4.03Å; V293-V488 HydrophobicContact CG1-CG2 3.85Å; K480-V488 HydrophobicContact CD-CG1 3.7Å; K480-V488 HydrophobicContact CG-CG1 3.69Å; Y482-V488 HydrophobicContact CD1-CG1 3.99Å; Y482-V488 HydrophobicContact CD1-CG2 4.18Å; Y482-V488 HydrophobicContact CE1-CG1 3.92Å; Y482-V488 HydrophobicContact CE1-CG2 4.41Å; V488-E490 VanDerWaalsContact CG1-OE1 3.25Å; V488-E490 WeakPolarHBondContact CG1-OE1 3.29Å
489	V	95.7	Very high	95.8	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.042	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-104.2	104.5	179.6	-175.4	0	0	0	0	109	K480 L481 D491 R495	K480-V489 CarbonylContact C-O 2.85Å; K480-V489 VanDerWaalsContact CA-O 3.26Å; K480-V489 WeakPolarHBondContact CA-O 3.41Å; K480-V489 WeakPolarHBondContact CG-O 2.98Å; L481-V489 HydrophobicContact CB-CB 3.94Å; L481-V489 HydrophobicContact CB-CG2 4.31Å; L481-V489 HydrophobicContact CD1-CB 4.29Å; L481-V489 HydrophobicContact CD1-CG1 4.33Å; L481-V489 HydrophobicContact CD1-CG2 4.49Å; L481-V489 HydrophobicContact CG-CB 4.14Å; L481-V489 HydrophobicContact CG-CG1 4.42Å; L481-V489 PolarHBondContact N-O 2.8Å; L481-V489 PolarHBondContact O-N 3.41Å; V489-D491 VanDerWaalsContact C-N 3.28Å; V489-D491 WeakPolarHBondContact CG1-O 3.29Å; V489-D491 PolarHBondContact O-N 3.14Å; V489-R495 HydrophobicContact CG1-CB 3.66Å; V489-R495 HydrophobicContact CG1-CG 3.94Å; V489-R495 HydrophobicContact CG2-CG 4.47Å
490	E	94.9	Very high	95.8	Very high	128 Å²	128	34.5 Å²	34.5	60%	0.598	17%	0.168	S	C	*	.	S	Bend	trans	-71.9	-16.7	-178.1	-57.9	-61.6	123.3	0	0	114.3	K480 V488	K480-E490 WeakPolarHBondContact CE-OE1 3.45Å; K480-E490 VanDerWaalsContact CE-OE2 3.25Å; K480-E490 WeakPolarHBondContact CE-OE2 3.39Å; K480-E490 IonicContact NZ-OE1 3.89Å; K480-E490 PolarHBondContact NZ-OE1 3.08Å; K480-E490 IonicContact NZ-OE2 2.98Å; K480-E490 PolarHBondContact NZ-OE2 2.76Å; V488-E490 VanDerWaalsContact CG1-OE1 3.25Å; V488-E490 WeakPolarHBondContact CG1-OE1 3.29Å
491	D	94	Very high	95.7	Very high	86 Å²	86	35 Å²	35	46%	0.46	18%	0.178	S	C	.	.			trans	-122.4	88.2	173.7	-172.2	-19.3	0	0	0	109.3	V489 P493 D494 R495	V489-D491 VanDerWaalsContact C-N 3.28Å; V489-D491 WeakPolarHBondContact CG1-O 3.29Å; V489-D491 PolarHBondContact O-N 3.14Å; D491-P493 WeakPolarHBondContact OD1-CD 3.01Å; D491-D494 HydrophobicContact CB-CB 4.27Å; D491-D494 WeakPolarHBondContact OD1-CB 2.88Å; D491-D494 PolarHBondContact OD1-N 2.77Å; D491-D494 WeakPolarHBondContact OD2-CB 3.17Å; D491-R495 WeakPolarHBondContact O-CB 3.39Å; D491-R495 PolarHBondContact O-N 3.4Å
492	G	95.6	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-46.3	178.9	0	0	0	0	0	114.4	P478 V479 R495 I496	P478-G492 WeakPolarHBondContact O-CA 3.39Å; V479-G492 PolarHBondContact O-N 3.45Å; G492-R495 PolarHBondContact O-N 2.79Å; G492-I496 WeakPolarHBondContact O-CD1 3.35Å; G492-I496 VanDerWaalsContact O-CG1 3.3Å; G492-I496 WeakPolarHBondContact O-CG1 3.26Å; G492-I496 PolarHBondContact O-N 2.62Å
493	P	96.8	Very high	95	Very high	35 Å²	35	38.5 Å²	38.5	23%	0.227	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-43.2	-177.1	-23.9	37.1	0	0	0	112.7	N477 P478 D491 I496 L497	N477-P493 WeakPolarHBondContact OD1-CG 3.46Å; P478-P493 WeakPolarHBondContact O-CD 3.36Å; D491-P493 WeakPolarHBondContact OD1-CD 3.01Å; P493-I496 PolarHBondContact O-N 2.9Å; P493-L497 WeakPolarHBondContact O-CB 3.36Å; P493-L497 VanDerWaalsContact O-CG 3.29Å; P493-L497 WeakPolarHBondContact O-CG 3.03Å; P493-L497 PolarHBondContact O-N 3.36Å
494	D	95.1	Very high	94.7	Very high	41 Å²	41	41.8 Å²	41.8	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-47.8	172.4	166.4	87	0	0	0	111.4	D491 I496 L497 R498	D491-D494 HydrophobicContact CB-CB 4.27Å; D491-D494 WeakPolarHBondContact OD1-CB 2.88Å; D491-D494 PolarHBondContact OD1-N 2.77Å; D491-D494 WeakPolarHBondContact OD2-CB 3.17Å; D494-I496 VanDerWaalsContact C-N 3.32Å; D494-I496 PolarHBondContact O-N 3.43Å; D494-L497 CarbonylContact O-C 3.56Å; D494-L497 PolarHBondContact O-N 3.02Å; D494-L497 VanDerWaalsContact O-N 3.1Å; D494-R498 WeakPolarHBondContact O-CG 3.3Å; D494-R498 PolarHBondContact O-N 3.42Å; D494-R498 IonicContact OD1-CZ 2.62Å; D494-R498 IonicContact OD1-NE 2.74Å; D494-R498 PolarHBondContact OD1-NE 2.91Å; D494-R498 IonicContact OD1-NH2 2.68Å; D494-R498 PolarHBondContact OD1-NH2 2.87Å; D494-R498 VanDerWaalsContact OD2-CD 3.3Å; D494-R498 WeakPolarHBondContact OD2-CD 3.44Å; D494-R498 IonicContact OD2-CZ 2.67Å; D494-R498 IonicContact OD2-NE 2.64Å; D494-R498 PolarHBondContact OD2-NE 2.74Å; D494-R498 IonicContact OD2-NH1 3.38Å; D494-R498 IonicContact OD2-NH2 3.89Å; D494-R498 PolarHBondContact OD2-NH2 3.06Å
495	R	95.2	Very high	94.5	Very high	55 Å²	55	47.7 Å²	47.7	21%	0.208	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-42.3	-176.9	-176.9	65.1	65	130	14.7	112.1	I452 G454 L481 V489 D491 G492 R498 Y499	I452-R495 HydrophobicContact CG2-CG 3.69Å; G454-R495 VanDerWaalsContact O-CZ 3.29Å; G454-R495 PolarHBondContact O-NH1 2.93Å; G454-R495 PolarHBondContact O-NH2 3.49Å; L481-R495 HydrophobicContact CD1-CB 4.02Å; L481-R495 HydrophobicContact CD1-CG 3.87Å; V489-R495 HydrophobicContact CG1-CB 3.66Å; V489-R495 HydrophobicContact CG1-CG 3.94Å; V489-R495 HydrophobicContact CG2-CG 4.47Å; D491-R495 WeakPolarHBondContact O-CB 3.39Å; D491-R495 PolarHBondContact O-N 3.4Å; G492-R495 PolarHBondContact O-N 2.79Å; R495-R498 PolarHBondContact O-N 3.33Å; R495-Y499 WeakPolarHBondContact O-CB 3.39Å; R495-Y499 PolarHBondContact O-N 3.38Å
496	I	96.6	Very high	94.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-45.3	175.3	-64.6	159.7	0	0	0	110.1	I452 L470 L473 K474 P478 L481 G492 P493 D494 Y499 I500	I452-I496 HydrophobicContact CD1-CB 4.45Å; I452-I496 HydrophobicContact CD1-CG1 3.54Å; L470-I496 WeakPolarHBondContact O-CG2 3.11Å; L473-I496 HydrophobicContact CB-CD1 4.38Å; K474-I496 HydrophobicContact CB-CG2 3.76Å; P478-I496 HydrophobicContact CG-CD1 3.76Å; L481-I496 HydrophobicContact CD2-CD1 4.41Å; G492-I496 WeakPolarHBondContact O-CD1 3.35Å; G492-I496 VanDerWaalsContact O-CG1 3.3Å; G492-I496 WeakPolarHBondContact O-CG1 3.26Å; G492-I496 PolarHBondContact O-N 2.62Å; P493-I496 PolarHBondContact O-N 2.9Å; D494-I496 VanDerWaalsContact C-N 3.32Å; D494-I496 PolarHBondContact O-N 3.43Å; I496-Y499 PolarHBondContact O-N 2.82Å; I496-I500 HydrophobicContact CG2-CD1 3.96Å; I496-I500 WeakPolarHBondContact O-CG1 3.35Å; I496-I500 PolarHBondContact O-N 3.34Å
497	L	95.7	Very high	94.1	Very high	81 Å²	81	50.7 Å²	50.7	42%	0.424	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-42.9	177.7	-72.4	170.8	0	0	0	112.6	K474 P493 D494 Y499 I500 A501	K474-L497 HydrophobicContact CD-CD2 4Å; P493-L497 WeakPolarHBondContact O-CB 3.36Å; P493-L497 VanDerWaalsContact O-CG 3.29Å; P493-L497 WeakPolarHBondContact O-CG 3.03Å; P493-L497 PolarHBondContact O-N 3.36Å; D494-L497 CarbonylContact O-C 3.56Å; D494-L497 PolarHBondContact O-N 3.02Å; D494-L497 VanDerWaalsContact O-N 3.1Å; L497-Y499 VanDerWaalsContact C-N 3.33Å; L497-Y499 PolarHBondContact O-N 3.1Å; L497-I500 PolarHBondContact O-N 2.96Å; L497-A501 WeakPolarHBondContact O-CB 3.22Å; L497-A501 PolarHBondContact O-N 2.83Å
498	R	93	Very high	93.9	Very high	154 Å²	154	54.2 Å²	54.2	58%	0.581	26%	0.263	S	S	*	.	H	α-helix	trans	-61.7	-39.7	174.3	-70.6	-176.6	-169.7	170.2	18.9	111.8	D494 R495 H502	D494-R498 WeakPolarHBondContact O-CG 3.3Å; D494-R498 PolarHBondContact O-N 3.42Å; D494-R498 IonicContact OD1-CZ 2.62Å; D494-R498 IonicContact OD1-NE 2.74Å; D494-R498 PolarHBondContact OD1-NE 2.91Å; D494-R498 IonicContact OD1-NH2 2.68Å; D494-R498 PolarHBondContact OD1-NH2 2.87Å; D494-R498 VanDerWaalsContact OD2-CD 3.3Å; D494-R498 WeakPolarHBondContact OD2-CD 3.44Å; D494-R498 IonicContact OD2-CZ 2.67Å; D494-R498 IonicContact OD2-NE 2.64Å; D494-R498 PolarHBondContact OD2-NE 2.74Å; D494-R498 IonicContact OD2-NH1 3.38Å; D494-R498 IonicContact OD2-NH2 3.89Å; D494-R498 PolarHBondContact OD2-NH2 3.06Å; R495-R498 PolarHBondContact O-N 3.33Å; R498-H502 VanDerWaalsContact O-CB 3.23Å; R498-H502 WeakPolarHBondContact O-CB 3.36Å; R498-H502 PolarHBondContact O-N 3.46Å
499	Y	95	Very high	93.7	Very high	11 Å²	11	54.4 Å²	54.4	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-44.6	174.6	-96.4	-134.3	0	0	0	112	I452 L453 G456 S457 T458 Y466 L470 R495 I496 L497 R503	I452-Y499 HydrophobicContact CB-CD1 4.35Å; I452-Y499 HydrophobicContact CB-CE1 4.13Å; I452-Y499 HydrophobicContact CG1-CD1 4.02Å; I452-Y499 HydrophobicContact CG1-CE1 4.26Å; I452-Y499 HydrophobicContact CG2-CD1 4.09Å; I452-Y499 HydrophobicContact CG2-CE1 3.88Å; I452-Y499 HydrophobicContact CG2-CE2 4.32Å; I452-Y499 HydrophobicContact CG2-CG 4.44Å; L453-Y499 PolarHBondContact N-OH 3.41Å; L453-Y499 VanDerWaalsContact N-OH 3.12Å; G456-Y499 PolarHBondContact O-OH 2.88Å; G456-Y499 VanDerWaalsContact O-OH 3.09Å; S457-Y499 WeakPolarHBondContact CA-OH 3.38Å; T458-Y499 HydrophobicContact CG2-CE1 4.2Å; Y466-Y499 VanDerWaalsContact OH-CD1 3.24Å; Y466-Y499 WeakPolarHBondContact OH-CD1 3.39Å; L470-Y499 HydrophobicContact CD2-CD1 4.34Å; R495-Y499 WeakPolarHBondContact O-CB 3.39Å; R495-Y499 PolarHBondContact O-N 3.38Å; I496-Y499 PolarHBondContact O-N 2.82Å; L497-Y499 VanDerWaalsContact C-N 3.33Å; L497-Y499 PolarHBondContact O-N 3.1Å; Y499-R503 WeakPolarHBondContact O-CG 3.32Å; Y499-R503 PolarHBondContact O-N 3.26Å
500	I	95.3	Very high	93.4	Very high	16 Å²	16	54 Å²	54	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-47.7	175.7	-68.9	169	0	0	0	111	M467 L470 K474 I496 L497 R503 N504	M467-I500 HydrophobicContact CE-CG2 4.11Å; L470-I500 HydrophobicContact CB-CD1 4.19Å; L470-I500 HydrophobicContact CB-CG1 3.76Å; L470-I500 HydrophobicContact CD1-CG1 4.04Å; K474-I500 HydrophobicContact CB-CD1 4.36Å; K474-I500 HydrophobicContact CD-CD1 4.09Å; I496-I500 HydrophobicContact CG2-CD1 3.96Å; I496-I500 WeakPolarHBondContact O-CG1 3.35Å; I496-I500 PolarHBondContact O-N 3.34Å; L497-I500 PolarHBondContact O-N 2.96Å; I500-R503 PolarHBondContact O-N 3.49Å; I500-N504 VanDerWaalsContact O-CG 3.31Å; I500-N504 PolarHBondContact O-N 2.81Å; I500-N504 PolarHBondContact O-ND2 3.4Å
501	A	93.5	Very high	93.1	Very high	42 Å²	42	49 Å²	49	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-49.9	179	0	0	0	0	0	111.6	L497 R503 N504 E505	L497-A501 WeakPolarHBondContact O-CB 3.22Å; L497-A501 PolarHBondContact O-N 2.83Å; A501-R503 VanDerWaalsContact C-N 3.33Å; A501-R503 PolarHBondContact O-N 3.35Å; A501-N504 PolarHBondContact O-N 3.28Å; A501-E505 WeakPolarHBondContact O-CG 3.42Å; A501-E505 PolarHBondContact O-N 3.01Å
502	H	90.7	Very high	92.8	Very high	66 Å²	66	47.5 Å²	47.5	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-39.4	179.7	176.2	67.2	0	0	0	113.6	R498 R506	R498-H502 VanDerWaalsContact O-CB 3.23Å; R498-H502 WeakPolarHBondContact O-CB 3.36Å; R498-H502 PolarHBondContact O-N 3.46Å; H502-R506 WeakPolarHBondContact O-CB 3.47Å; H502-R506 PolarHBondContact O-N 3.41Å; H502-R506 VanDerWaalsContact O-N 3.13Å
503	R	92.3	Very high	92.5	Very high	9 Å²	9	47.8 Å²	47.8	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-71	-38.8	174.6	-64.5	-55.8	-167.7	-129.7	-4.3	111.8	S457 T458 V460 M463 Y466 M467 Y499 I500 A501 R506 E507 H549	S457-R503 PolarHBondContact OG-NH1 2.87Å; S457-R503 PolarHBondContact OG-NH2 3.43Å; T458-R503 PolarHBondContact O-NH2 2.96Å; V460-R503 VanDerWaalsContact CG2-NH2 3.32Å; M463-R503 HydrophobicContact SD-CB 4.39Å; M463-R503 HydrophobicContact SD-CG 4.13Å; Y466-R503 HydrophobicContact CE1-CG 3.97Å; Y466-R503 PolarHBondContact OH-NH2 3.43Å; M467-R503 HydrophobicContact CE-CB 4.13Å; M467-R503 HydrophobicContact SD-CB 3.49Å; M467-R503 WeakPolarHBondContact SD-CB 3.36Å; M467-R503 HydrophobicContact SD-CG 3.85Å; Y499-R503 WeakPolarHBondContact O-CG 3.32Å; Y499-R503 PolarHBondContact O-N 3.26Å; I500-R503 PolarHBondContact O-N 3.49Å; A501-R503 VanDerWaalsContact C-N 3.33Å; A501-R503 PolarHBondContact O-N 3.35Å; R503-R506 PolarHBondContact O-N 2.86Å; R503-E507 WeakPolarHBondContact O-CB 3.13Å; R503-E507 PolarHBondContact O-N 3.31Å; R503-H549 PolarHBondContact O-CE1 3.28Å
504	N	92.6	Very high	91.9	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-43.2	176	-71.5	-18.2	0	0	0	112	M467 I500 A501 R506 E507 Q508	M467-N504 VanDerWaalsContact CE-OD1 3.23Å; M467-N504 WeakPolarHBondContact CE-OD1 3.33Å; I500-N504 VanDerWaalsContact O-CG 3.31Å; I500-N504 PolarHBondContact O-N 2.81Å; I500-N504 PolarHBondContact O-ND2 3.4Å; A501-N504 PolarHBondContact O-N 3.28Å; N504-R506 VanDerWaalsContact C-N 3.33Å; N504-R506 PolarHBondContact O-N 2.99Å; N504-E507 PolarHBondContact O-N 3.4Å; N504-Q508 WeakPolarHBondContact O-CG 3.38Å; N504-Q508 PolarHBondContact O-N 2.97Å
505	E	91.3	Very high	91.3	Very high	125 Å²	125	51.2 Å²	51.2	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-56.9	-45.8	172.6	-72.8	166.8	-166.5	0	0	111.7	A501 E507 Q508 A509	A501-E505 WeakPolarHBondContact O-CG 3.42Å; A501-E505 PolarHBondContact O-N 3.01Å; E505-E507 VanDerWaalsContact C-N 3.34Å; E505-E507 PolarHBondContact O-N 2.85Å; E505-Q508 PolarHBondContact O-N 3.3Å; E505-A509 PolarHBondContact O-N 3.22Å
506	R	89.9	Confident	90.6	Very high	46 Å²	46	52 Å²	52	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-41.6	177.2	-172.5	56.5	51.2	172.3	-1.1	111.9	H502 R503 N504 A509 V510 Y531 H549	H502-R506 WeakPolarHBondContact O-CB 3.47Å; H502-R506 PolarHBondContact O-N 3.41Å; H502-R506 VanDerWaalsContact O-N 3.13Å; R503-R506 PolarHBondContact O-N 2.86Å; N504-R506 VanDerWaalsContact C-N 3.33Å; N504-R506 PolarHBondContact O-N 2.99Å; R506-A509 PolarHBondContact O-N 3.11Å; R506-V510 WeakPolarHBondContact O-CG2 3.32Å; R506-V510 PolarHBondContact O-N 2.86Å; R506-Y531 PolarHBondContact NH1-OH 3.3Å; R506-H549 WeakPolarHBondContact CG-NE2 3.07Å
507	E	92	Very high	89.5	Confident	19 Å²	19	53 Å²	53	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-42.9	177.5	-169.1	161.8	109.3	0	0	112.3	R503 N504 E505 A509 V510 L511 H549 K552 L553	R503-E507 WeakPolarHBondContact O-CB 3.13Å; R503-E507 PolarHBondContact O-N 3.31Å; N504-E507 PolarHBondContact O-N 3.4Å; E505-E507 VanDerWaalsContact C-N 3.34Å; E505-E507 PolarHBondContact O-N 2.85Å; E507-A509 VanDerWaalsContact C-N 3.31Å; E507-A509 PolarHBondContact O-N 3.3Å; E507-V510 PolarHBondContact O-N 2.9Å; E507-L511 HydrophobicContact CG-CD1 4.41Å; E507-L511 WeakPolarHBondContact O-CG 3.41Å; E507-L511 PolarHBondContact O-N 3.37Å; E507-H549 IonicContact OE2-ND1 2.78Å; E507-H549 PolarHBondContact OE2-ND1 3.3Å; E507-K552 IonicContact OE1-NZ 2.71Å; E507-K552 PolarHBondContact OE1-NZ 3.06Å; E507-K552 WeakPolarHBondContact OE2-CD 3.31Å; E507-K552 WeakPolarHBondContact OE2-CE 3.31Å; E507-K552 IonicContact OE2-NZ 3.6Å; E507-K552 PolarHBondContact OE2-NZ 3.31Å; E507-L553 HydrophobicContact CG-CD1 4.09Å; E507-L553 HydrophobicContact CG-CD2 3.81Å; E507-L553 HydrophobicContact CG-CG 4.14Å
508	Q	91.7	Very high	88.1	Confident	118 Å²	118	57.1 Å²	57.1	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-63.7	-36.2	173.8	-66.2	-55.1	-36	0	0	112	N504 E505 L511 A512	N504-Q508 WeakPolarHBondContact O-CG 3.38Å; N504-Q508 PolarHBondContact O-N 2.97Å; E505-Q508 PolarHBondContact O-N 3.3Å; Q508-L511 PolarHBondContact O-N 2.96Å; Q508-A512 VanDerWaalsContact O-CB 3.3Å; Q508-A512 WeakPolarHBondContact O-CB 3.43Å; Q508-A512 PolarHBondContact O-N 3.48Å
509	A	91.1	Very high	86.7	Confident	32 Å²	32	53 Å²	53	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-37.8	173.9	0	0	0	0	0	112.9	E505 R506 E507 A513 I530	E505-A509 PolarHBondContact O-N 3.22Å; R506-A509 PolarHBondContact O-N 3.11Å; E507-A509 VanDerWaalsContact C-N 3.31Å; E507-A509 PolarHBondContact O-N 3.3Å; A509-A513 WeakPolarHBondContact O-CB 3.5Å; A509-A513 PolarHBondContact O-N 3.16Å; A509-I530 HydrophobicContact CB-CD1 3.95Å; A509-I530 HydrophobicContact CB-CG1 4.17Å; A509-I530 HydrophobicContact CB-CG2 3.75Å
510	V	89	Confident	85.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-44	172.9	170.9	0	0	0	0	111	R506 E507 A513 L514 I526 I530 V546 H549 L550 L553	R506-V510 WeakPolarHBondContact O-CG2 3.32Å; R506-V510 PolarHBondContact O-N 2.86Å; E507-V510 PolarHBondContact O-N 2.9Å; V510-A513 PolarHBondContact O-N 3.11Å; V510-L514 HydrophobicContact CG1-CD1 4.13Å; V510-L514 WeakPolarHBondContact O-CG 3.41Å; V510-L514 PolarHBondContact O-N 2.8Å; V510-I526 HydrophobicContact CG1-CG2 4.41Å; V510-I526 HydrophobicContact CG2-CG2 4.07Å; V510-I530 HydrophobicContact CB-CD1 4.47Å; V510-I530 HydrophobicContact CG2-CD1 3.77Å; V510-V546 HydrophobicContact CG2-CG2 4.29Å; V510-H549 HydrophobicContact CG2-CB 4.42Å; V510-L550 HydrophobicContact CG1-CD2 3.69Å; V510-L550 HydrophobicContact CG1-CG 4.22Å; V510-L553 HydrophobicContact CG1-CD1 4.06Å
511	L	88.3	Confident	84.8	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175.2	-74.3	168.7	0	0	0	112	E507 Q508 L514 Q515 L553 V557 M559	E507-L511 HydrophobicContact CG-CD1 4.41Å; E507-L511 WeakPolarHBondContact O-CG 3.41Å; E507-L511 PolarHBondContact O-N 3.37Å; Q508-L511 PolarHBondContact O-N 2.96Å; L511-L514 PolarHBondContact O-N 3.13Å; L511-Q515 WeakPolarHBondContact O-CB 3.44Å; L511-Q515 WeakPolarHBondContact O-CG 3.43Å; L511-Q515 PolarHBondContact O-N 3.16Å; L511-L553 HydrophobicContact CD1-CD2 4.15Å; L511-L553 HydrophobicContact CD2-CD1 3.84Å; L511-L553 HydrophobicContact CD2-CD2 4.04Å; L511-L553 HydrophobicContact CG-CD1 3.91Å; L511-L553 HydrophobicContact CG-CD2 4.23Å; L511-V557 HydrophobicContact CD2-CG2 4.27Å; L511-M559 HydrophobicContact CD2-CE 3.78Å
512	A	88.8	Confident	84.2	Confident	56 Å²	56	50.8 Å²	50.8	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-40.9	177	0	0	0	0	0	112.2	Q508 Q515 S516	Q508-A512 VanDerWaalsContact O-CB 3.3Å; Q508-A512 WeakPolarHBondContact O-CB 3.43Å; Q508-A512 PolarHBondContact O-N 3.48Å; A512-Q515 PolarHBondContact O-N 3Å; A512-S516 WeakPolarHBondContact O-CB 3.21Å; A512-S516 PolarHBondContact O-N 3.02Å; A512-S516 PolarHBondContact O-OG 2.92Å
513	A	88.5	Confident	83.8	Confident	6 Å²	6	48 Å²	48	5%	0.05	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-49.8	174.2	0	0	0	0	0	111.3	A509 V510 Q515 S516 S517 L521 I526 M529 I530	A509-A513 WeakPolarHBondContact O-CB 3.5Å; A509-A513 PolarHBondContact O-N 3.16Å; V510-A513 PolarHBondContact O-N 3.11Å; A513-Q515 VanDerWaalsContact C-N 3.34Å; A513-Q515 PolarHBondContact O-N 2.7Å; A513-S516 PolarHBondContact O-N 2.92Å; A513-S516 PolarHBondContact O-OG 3.42Å; A513-S517 PolarHBondContact O-N 3.39Å; A513-L521 HydrophobicContact CB-CD1 4.49Å; A513-L521 WeakPolarHBondContact O-CD1 3.41Å; A513-I526 HydrophobicContact CB-CG1 4.49Å; A513-I526 HydrophobicContact CB-CG2 4.23Å; A513-M529 HydrophobicContact CB-CE 3.78Å; A513-M529 HydrophobicContact CB-SD 4.37Å; A513-I530 HydrophobicContact CB-CG1 4.46Å
514	L	83.8	Confident	83.3	Confident	7 Å²	7	53 Å²	53	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-35.3	177.1	-71.6	170.1	0	0	0	113.6	V510 L511 L521 I526 L550 M559 I572	V510-L514 HydrophobicContact CG1-CD1 4.13Å; V510-L514 WeakPolarHBondContact O-CG 3.41Å; V510-L514 PolarHBondContact O-N 2.8Å; L511-L514 PolarHBondContact O-N 3.13Å; L514-L521 HydrophobicContact CD2-CB 4.46Å; L514-I526 HydrophobicContact CD2-CD1 3.84Å; L514-I526 HydrophobicContact CG-CD1 4.21Å; L514-L550 HydrophobicContact CD1-CD2 3.74Å; L514-M559 HydrophobicContact CD1-CE 3.46Å; L514-M559 VanDerWaalsContact CD1-CE 3.46Å; L514-M559 HydrophobicContact CD1-SD 3.89Å; L514-I572 HydrophobicContact CD2-CB 4.1Å; L514-I572 HydrophobicContact CD2-CG2 4.03Å
515	Q	82.8	Confident	83	Confident	141 Å²	141	53 Å²	53	66%	0.659	28%	0.281	S	S	*	.	H	α-helix	trans	-72.7	-33.3	176.5	-73.3	170.7	17.1	0	0	112.5	L511 A512 A513	L511-Q515 WeakPolarHBondContact O-CB 3.44Å; L511-Q515 WeakPolarHBondContact O-CG 3.43Å; L511-Q515 PolarHBondContact O-N 3.16Å; A512-Q515 PolarHBondContact O-N 3Å; A513-Q515 VanDerWaalsContact C-N 3.34Å; A513-Q515 PolarHBondContact O-N 2.7Å
516	S	81.3	Confident	82.8	Confident	72 Å²	72	47.1 Å²	47.1	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-69.5	-31.6	-179.8	71.9	0	0	0	0	113.3	A512 A513 H518 M529	A512-S516 WeakPolarHBondContact O-CB 3.21Å; A512-S516 PolarHBondContact O-N 3.02Å; A512-S516 PolarHBondContact O-OG 2.92Å; A513-S516 PolarHBondContact O-N 2.92Å; A513-S516 PolarHBondContact O-OG 3.42Å; S516-H518 PolarHBondContact O-ND1 3.26Å; S516-M529 VanDerWaalsContact OG-CE 3.29Å; S516-M529 WeakPolarHBondContact OG-CE 3.2Å
517	S	73.3	Confident	82.6	Confident	20 Å²	20	45 Å²	45	14%	0.14	25%	0.246	C	C	.	.			trans	-92.5	120.8	-177.6	-175.7	0	0	0	0	112.8	A513 S519	A513-S517 PolarHBondContact O-N 3.39Å; S517-S519 WeakPolarHBondContact CB-O 3.23Å; S517-S519 PolarHBondContact O-N 3.02Å; S517-S519 PolarHBondContact OG-N 3.05Å; S517-S519 PolarHBondContact OG-O 3.3Å; S517-S519 PolarHBondContact OG-OG 3.32Å
518	H	66.2	Low	82.2	Confident	167 Å²	167	48 Å²	48	77%	0.773	26%	0.263	S	S	*	.	S	Bend	trans	-77.6	-6.9	172.1	-63.7	47.2	0	0	0	112.3	S516	S516-H518 PolarHBondContact O-ND1 3.26Å
519	S	63.6	Low	82	Confident	67 Å²	67	45.6 Å²	45.6	47%	0.469	25%	0.252	S	S	.	.	S	Bend	trans	-112.9	154.3	174.8	74.6	0	0	0	0	110.5	S517 L521	S517-S519 WeakPolarHBondContact CB-O 3.23Å; S517-S519 PolarHBondContact O-N 3.02Å; S517-S519 PolarHBondContact OG-N 3.05Å; S517-S519 PolarHBondContact OG-O 3.3Å; S517-S519 PolarHBondContact OG-OG 3.32Å; S519-L521 PolarHBondContact O-N 2.59Å
520	G	72	Confident	81.8	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.031	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-68.4	127.6	-177.2	0	0	0	0	0	112.2	R571 I572	G520-R571 WeakPolarHBondContact O-CD 3.42Å; G520-R571 WeakPolarHBondContact O-CG 3.46Å; G520-R571 PolarHBondContact O-NE 2.78Å; G520-R571 VanDerWaalsContact O-NE 3.17Å; G520-I572 WeakPolarHBondContact CA-O 3.32Å
521	L	78.2	Confident	81.5	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.047	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-92.8	150.9	179.5	-65.3	178.5	0	0	0	111.8	A513 L514 S519 Q525 I526 M529 R571 I572	A513-L521 HydrophobicContact CB-CD1 4.49Å; A513-L521 WeakPolarHBondContact O-CD1 3.41Å; L514-L521 HydrophobicContact CD2-CB 4.46Å; S519-L521 PolarHBondContact O-N 2.59Å; L521-Q525 HydrophobicContact CD2-CB 4.3Å; L521-I526 HydrophobicContact CB-CD1 4.15Å; L521-I526 HydrophobicContact CB-CG1 3.95Å; L521-I526 HydrophobicContact CD1-CG1 3.91Å; L521-M529 HydrophobicContact CD1-CE 4.11Å; L521-M529 HydrophobicContact CD1-SD 3.69Å; L521-M529 HydrophobicContact CD2-SD 4.12Å; L521-R571 WeakPolarHBondContact O-CA 3.23Å; L521-I572 PolarHBondContact N-O 3.02Å; L521-I572 PolarHBondContact O-N 2.86Å
522	T	80.2	Confident	80.7	Confident	12 Å²	12	55 Å²	55	7%	0.074	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-94.7	162	167.9	73	0	0	0	0	111.8	K524 Q525 I526 P569 L570 R571	T522-K524 PolarHBondContact O-N 2.97Å; T522-Q525 PolarHBondContact O-N 2.78Å; T522-Q525 VanDerWaalsContact O-N 3.14Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.45Å; T522-Q525 PolarHBondContact OG1-N 3.4Å; T522-I526 WeakPolarHBondContact O-CG1 3.25Å; T522-I526 PolarHBondContact O-N 2.84Å; T522-P569 HydrophobicContact CG2-CB 3.98Å; T522-P569 HydrophobicContact CG2-CG 4.07Å; T522-P569 WeakPolarHBondContact CG2-O 3.39Å; T522-L570 WeakPolarHBondContact CA-O 3.39Å; T522-R571 HydrophobicContact CG2-CG 4.01Å
523	A	82	Confident	79.6	Confident	8 Å²	8	57.4 Å²	57.4	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-46.1	179.2	0	0	0	0	0	111.7	Q525 I526 V527 E543 V546 L547 L550	A523-Q525 PolarHBondContact O-N 2.83Å; A523-I526 CarbonylContact O-C 3.09Å; A523-I526 WeakPolarHBondContact O-CA 3.47Å; A523-I526 WeakPolarHBondContact O-CB 3.36Å; A523-I526 PolarHBondContact O-N 3.43Å; A523-V527 WeakPolarHBondContact O-CG2 3.17Å; A523-V527 PolarHBondContact O-N 3.5Å; A523-E543 HydrophobicContact CB-CG 3.79Å; A523-E543 WeakPolarHBondContact CB-OE1 3.18Å; A523-V546 HydrophobicContact CB-CG1 4.04Å; A523-L547 HydrophobicContact CB-CD2 3.71Å; A523-L547 HydrophobicContact CB-CG 3.82Å; A523-L550 HydrophobicContact CB-CD1 4.31Å
524	K	82.8	Confident	78.7	Confident	112 Å²	112	59.8 Å²	59.8	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-48.9	-48.3	168.7	-169.9	172.4	-172	166.3	0	113.9	T522 I526 V527 D528 E543	T522-K524 PolarHBondContact O-N 2.97Å; K524-I526 VanDerWaalsContact C-N 3.32Å; K524-I526 PolarHBondContact O-N 3.38Å; K524-V527 WeakPolarHBondContact O-CB 3.28Å; K524-V527 PolarHBondContact O-N 2.8Å; K524-V527 VanDerWaalsContact O-N 3.15Å; K524-D528 VanDerWaalsContact O-CG 3.3Å; K524-D528 PolarHBondContact O-N 2.8Å; K524-E543 WeakPolarHBondContact CA-OE1 3.08Å; K524-E543 WeakPolarHBondContact CB-OE1 3.28Å; K524-E543 PolarHBondContact N-OE1 3.22Å
525	Q	85.6	Confident	77.8	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.341	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-37.5	177.7	-71.4	178.1	-54.5	0	0	112.2	L521 T522 A523 V527 D528 M529	L521-Q525 HydrophobicContact CD2-CB 4.3Å; T522-Q525 PolarHBondContact O-N 2.78Å; T522-Q525 VanDerWaalsContact O-N 3.14Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.45Å; T522-Q525 PolarHBondContact OG1-N 3.4Å; A523-Q525 PolarHBondContact O-N 2.83Å; Q525-V527 VanDerWaalsContact C-N 3.34Å; Q525-D528 PolarHBondContact O-N 2.99Å; Q525-M529 WeakPolarHBondContact O-CB 3.4Å; Q525-M529 WeakPolarHBondContact O-CG 3.42Å; Q525-M529 PolarHBondContact O-N 3.31Å
526	I	87.3	Confident	77	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-36.8	174.8	-64.9	163.2	0	0	0	110.6	V510 A513 L514 L521 T522 A523 K524 M529 I530 V546 L550	V510-I526 HydrophobicContact CG1-CG2 4.41Å; V510-I526 HydrophobicContact CG2-CG2 4.07Å; A513-I526 HydrophobicContact CB-CG1 4.49Å; A513-I526 HydrophobicContact CB-CG2 4.23Å; L514-I526 HydrophobicContact CD2-CD1 3.84Å; L514-I526 HydrophobicContact CG-CD1 4.21Å; L521-I526 HydrophobicContact CB-CD1 4.15Å; L521-I526 HydrophobicContact CB-CG1 3.95Å; L521-I526 HydrophobicContact CD1-CG1 3.91Å; T522-I526 WeakPolarHBondContact O-CG1 3.25Å; T522-I526 PolarHBondContact O-N 2.84Å; A523-I526 CarbonylContact O-C 3.09Å; A523-I526 WeakPolarHBondContact O-CA 3.47Å; A523-I526 WeakPolarHBondContact O-CB 3.36Å; A523-I526 PolarHBondContact O-N 3.43Å; K524-I526 VanDerWaalsContact C-N 3.32Å; K524-I526 PolarHBondContact O-N 3.38Å; I526-M529 PolarHBondContact O-N 3.47Å; I526-I530 HydrophobicContact CG2-CD1 3.59Å; I526-I530 HydrophobicContact CG2-CG1 4.41Å; I526-I530 VanDerWaalsContact O-CG1 3.29Å; I526-I530 WeakPolarHBondContact O-CG1 3.47Å; I526-I530 PolarHBondContact O-N 2.98Å; I526-I530 VanDerWaalsContact O-N 3.08Å; I526-V546 HydrophobicContact CB-CG1 3.95Å; I526-V546 HydrophobicContact CD1-CG1 4.41Å; I526-V546 HydrophobicContact CG2-CG1 3.69Å; I526-V546 HydrophobicContact CG2-CG2 4.11Å; I526-L550 HydrophobicContact CD1-CD1 4.2Å; I526-L550 HydrophobicContact CD1-CD2 4.29Å
527	V	85.5	Confident	75.7	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-49.9	171.2	176.5	0	0	0	0	110.8	A523 K524 Q525 M529 I530 Y531 L534 H539 A542 E543 V546	A523-V527 WeakPolarHBondContact O-CG2 3.17Å; A523-V527 PolarHBondContact O-N 3.5Å; K524-V527 WeakPolarHBondContact O-CB 3.28Å; K524-V527 PolarHBondContact O-N 2.8Å; K524-V527 VanDerWaalsContact O-N 3.15Å; Q525-V527 VanDerWaalsContact C-N 3.34Å; V527-M529 VanDerWaalsContact C-N 3.26Å; V527-M529 PolarHBondContact O-N 2.72Å; V527-I530 PolarHBondContact O-N 2.98Å; V527-Y531 HydrophobicContact CB-CD2 4.33Å; V527-Y531 HydrophobicContact CG1-CD2 3.89Å; V527-Y531 HydrophobicContact CG1-CE2 4.48Å; V527-Y531 HydrophobicContact CG1-CG 4.31Å; V527-Y531 HydrophobicContact CG2-CE2 4.5Å; V527-Y531 WeakPolarHBondContact O-CA 3.26Å; V527-Y531 WeakPolarHBondContact O-CB 3.41Å; V527-Y531 PolarHBondContact O-N 2.67Å; V527-L534 HydrophobicContact CG1-CD2 4.15Å; V527-H539 VanDerWaalsContact CG1-CE1 3.41Å; V527-H539 WeakPolarHBondContact CG1-CE1 3.3Å; V527-A542 HydrophobicContact CG1-CB 3.73Å; V527-A542 HydrophobicContact CG2-CB 4.08Å; V527-E543 HydrophobicContact CG2-CB 3.98Å; V527-V546 HydrophobicContact CG2-CB 4.26Å; V527-V546 HydrophobicContact CG2-CG2 3.8Å
528	D	84.5	Confident	75.3	Confident	83 Å²	83	63.6 Å²	63.6	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-35.6	179.8	-64	-29.2	0	0	0	112.2	K524 Q525 H539	K524-D528 VanDerWaalsContact O-CG 3.3Å; K524-D528 PolarHBondContact O-N 2.8Å; Q525-D528 PolarHBondContact O-N 2.99Å; D528-H539 IonicContact OD1-CD2 3.01Å; D528-H539 IonicContact OD1-CE1 3.67Å; D528-H539 IonicContact OD1-NE2 2.84Å; D528-H539 PolarHBondContact OD1-NE2 3.27Å
529	M	87.4	Confident	75.8	Confident	68 Å²	68	57.3 Å²	57.3	34%	0.335	30%	0.296	S	S	.	.	H	α-helix	trans	-70.6	-40.4	177.4	-73.8	169.5	70.5	0	0	113.5	A513 S516 L521 Q525 I526 V527 K532	A513-M529 HydrophobicContact CB-CE 3.78Å; A513-M529 HydrophobicContact CB-SD 4.37Å; S516-M529 VanDerWaalsContact OG-CE 3.29Å; S516-M529 WeakPolarHBondContact OG-CE 3.2Å; L521-M529 HydrophobicContact CD1-CE 4.11Å; L521-M529 HydrophobicContact CD1-SD 3.69Å; L521-M529 HydrophobicContact CD2-SD 4.12Å; Q525-M529 WeakPolarHBondContact O-CB 3.4Å; Q525-M529 WeakPolarHBondContact O-CG 3.42Å; Q525-M529 PolarHBondContact O-N 3.31Å; I526-M529 PolarHBondContact O-N 3.47Å; V527-M529 VanDerWaalsContact C-N 3.26Å; V527-M529 PolarHBondContact O-N 2.72Å; M529-K532 WeakPolarHBondContact O-CE 3.35Å; M529-K532 WeakPolarHBondContact O-CG 3.34Å
530	I	87.7	Confident	76	Confident	44 Å²	44	59.2 Å²	59.2	23%	0.226	30%	0.296	C	S	.	.	H	α-helix	trans	-93.3	-44.5	-174.6	-51.9	165.3	0	0	0	111.7	A509 V510 A513 I526 V527 K532	A509-I530 HydrophobicContact CB-CD1 3.95Å; A509-I530 HydrophobicContact CB-CG1 4.17Å; A509-I530 HydrophobicContact CB-CG2 3.75Å; V510-I530 HydrophobicContact CB-CD1 4.47Å; V510-I530 HydrophobicContact CG2-CD1 3.77Å; A513-I530 HydrophobicContact CB-CG1 4.46Å; I526-I530 HydrophobicContact CG2-CD1 3.59Å; I526-I530 HydrophobicContact CG2-CG1 4.41Å; I526-I530 VanDerWaalsContact O-CG1 3.29Å; I526-I530 WeakPolarHBondContact O-CG1 3.47Å; I526-I530 PolarHBondContact O-N 2.98Å; I526-I530 VanDerWaalsContact O-N 3.08Å; V527-I530 PolarHBondContact O-N 2.98Å; I530-K532 PolarHBondContact O-N 2.8Å
531	Y	81.1	Confident	75.9	Confident	46 Å²	46	61.4 Å²	61.4	18%	0.18	31%	0.314	C	S	.	.	S	Bend	trans	-98.3	50.7	-175	-54.7	-111.4	0	0	0	111.7	R506 V527 N533 L534 A542 N545 V546	R506-Y531 PolarHBondContact NH1-OH 3.3Å; V527-Y531 HydrophobicContact CB-CD2 4.33Å; V527-Y531 HydrophobicContact CG1-CD2 3.89Å; V527-Y531 HydrophobicContact CG1-CE2 4.48Å; V527-Y531 HydrophobicContact CG1-CG 4.31Å; V527-Y531 HydrophobicContact CG2-CE2 4.5Å; V527-Y531 WeakPolarHBondContact O-CA 3.26Å; V527-Y531 WeakPolarHBondContact O-CB 3.41Å; V527-Y531 PolarHBondContact O-N 2.67Å; Y531-N533 PolarHBondContact O-N 3.45Å; Y531-L534 HydrophobicContact CD1-CD1 4.44Å; Y531-L534 HydrophobicContact CD1-CD2 4.06Å; Y531-L534 HydrophobicContact CG-CD2 4.16Å; Y531-L534 WeakPolarHBondContact O-CB 3.39Å; Y531-L534 PolarHBondContact O-N 2.91Å; Y531-A542 HydrophobicContact CD1-CB 4.1Å; Y531-A542 HydrophobicContact CD2-CB 4.16Å; Y531-A542 HydrophobicContact CE1-CB 3.77Å; Y531-A542 HydrophobicContact CE2-CB 3.84Å; Y531-A542 HydrophobicContact CG-CB 4.27Å; Y531-N545 PolarHBondContact OH-OD1 2.93Å; Y531-V546 HydrophobicContact CE2-CG2 4.04Å
532	K	72.8	Confident	75.9	Confident	161 Å²	161	61.3 Å²	61.3	70%	0.7	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-4.4	-167.8	-60.9	-178.2	179.9	179	0	118.7	M529 I530	M529-K532 WeakPolarHBondContact O-CE 3.35Å; M529-K532 WeakPolarHBondContact O-CG 3.34Å; I530-K532 PolarHBondContact O-N 2.8Å
533	N	64.4	Low	76	Confident	106 Å²	106	63 Å²	63	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.8	24.2	179	-31.7	-90.7	0	0	0	112.5	K262 Y531	K262-N533 WeakPolarHBondContact CE-OD1 3.46Å; K262-N533 PolarHBondContact NZ-OD1 2.89Å; Y531-N533 PolarHBondContact O-N 3.45Å
534	L	70.7	Confident	75.9	Confident	56 Å²	56	69 Å²	69	29%	0.293	34%	0.342	S	S	.	.			trans	-67.5	135.7	-179.6	-164.1	61.1	0	0	0	110.8	V527 Y531 F538 A542	V527-L534 HydrophobicContact CG1-CD2 4.15Å; Y531-L534 HydrophobicContact CD1-CD1 4.44Å; Y531-L534 HydrophobicContact CD1-CD2 4.06Å; Y531-L534 HydrophobicContact CG-CD2 4.16Å; Y531-L534 WeakPolarHBondContact O-CB 3.39Å; Y531-L534 PolarHBondContact O-N 2.91Å; L534-F538 HydrophobicContact CD1-CB 3.7Å; L534-F538 HydrophobicContact CD1-CD2 4.49Å; L534-F538 HydrophobicContact CD2-CB 4.27Å; L534-F538 HydrophobicContact CG-CB 3.94Å; L534-A542 HydrophobicContact CD2-CB 3.41Å; L534-A542 VanDerWaalsContact CD2-CB 3.41Å
535	S	64.4	Low	76	Confident	46 Å²	46	64.7 Å²	64.7	32%	0.322	33%	0.325	S	S	.	.			trans	-70.4	149.6	170.6	48.2	0	0	0	0	110.7	E537 F538 H539	S535-E537 WeakPolarHBondContact CB-OE1 3.39Å; S535-E537 PolarHBondContact O-N 2.97Å; S535-E537 VanDerWaalsContact O-N 3.13Å; S535-E537 PolarHBondContact OG-OE1 3.1Å; S535-F538 PolarHBondContact O-N 2.71Å; S535-F538 VanDerWaalsContact OG-CD2 3.28Å; S535-F538 WeakPolarHBondContact OG-CD2 3.13Å; S535-H539 PolarHBondContact O-N 3.13Å
536	A	65	Low	76	Confident	58 Å²	58	61.2 Å²	61.2	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-57	-33	-172.9	0	0	0	0	0	113.1	F538 H539 P814	A536-F538 PolarHBondContact O-N 2.8Å; A536-H539 WeakPolarHBondContact O-CB 3.41Å; A536-H539 PolarHBondContact O-N 2.91Å; A536-H539 VanDerWaalsContact O-N 3.16Å; A536-P814 HydrophobicContact CB-CB 4.35Å
537	E	54.5	Low	76	Confident	119 Å²	119	64.1 Å²	64.1	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-29.5	177.8	71	-142.8	149.2	0	0	113.9	S535	S535-E537 WeakPolarHBondContact CB-OE1 3.39Å; S535-E537 PolarHBondContact O-N 2.97Å; S535-E537 VanDerWaalsContact O-N 3.13Å; S535-E537 PolarHBondContact OG-OE1 3.1Å
538	F	64.9	Low	76	Confident	97 Å²	97	64.5 Å²	64.5	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-100.8	-5.9	178.5	-60.4	-58.3	0	0	0	113.6	L534 S535 A536 F540 A541 A542	L534-F538 HydrophobicContact CD1-CB 3.7Å; L534-F538 HydrophobicContact CD1-CD2 4.49Å; L534-F538 HydrophobicContact CD2-CB 4.27Å; L534-F538 HydrophobicContact CG-CB 3.94Å; S535-F538 PolarHBondContact O-N 2.71Å; S535-F538 VanDerWaalsContact OG-CD2 3.28Å; S535-F538 WeakPolarHBondContact OG-CD2 3.13Å; A536-F538 PolarHBondContact O-N 2.8Å; F538-F540 PolarHBondContact O-N 2.94Å; F538-A541 PolarHBondContact O-N 3.18Å; F538-A541 VanDerWaalsContact O-N 3.13Å; F538-A542 PolarHBondContact O-N 3.46Å
539	H	76.3	Confident	76.2	Confident	35 Å²	35	60.6 Å²	60.6	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-43.3	-174.6	-158	-61.8	0	0	0	111.8	V527 D528 S535 A536 A541 A542 E543	V527-H539 VanDerWaalsContact CG1-CE1 3.41Å; V527-H539 WeakPolarHBondContact CG1-CE1 3.3Å; D528-H539 IonicContact OD1-CD2 3.01Å; D528-H539 IonicContact OD1-CE1 3.67Å; D528-H539 IonicContact OD1-NE2 2.84Å; D528-H539 PolarHBondContact OD1-NE2 3.27Å; S535-H539 PolarHBondContact O-N 3.13Å; A536-H539 WeakPolarHBondContact O-CB 3.41Å; A536-H539 PolarHBondContact O-N 2.91Å; A536-H539 VanDerWaalsContact O-N 3.16Å; H539-A541 PolarHBondContact O-N 3.19Å; H539-A542 PolarHBondContact O-N 2.99Å; H539-E543 PolarHBondContact O-N 2.99Å
540	F	69.3	Low	76.2	Confident	106 Å²	106	57.4 Å²	57.4	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-39.7	173.4	-179.7	-109.3	0	0	0	113.4	F538 E543 R544	F538-F540 PolarHBondContact O-N 2.94Å; F540-E543 PolarHBondContact O-N 2.92Å; F540-R544 HydrophobicContact CZ-CG 4.46Å; F540-R544 WeakPolarHBondContact O-CG 3.1Å; F540-R544 PolarHBondContact O-N 3.13Å
541	A	68.2	Low	76	Confident	50 Å²	50	62.8 Å²	62.8	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-38.7	177	0	0	0	0	0	111.8	F538 H539 N545	F538-A541 PolarHBondContact O-N 3.18Å; F538-A541 VanDerWaalsContact O-N 3.13Å; H539-A541 PolarHBondContact O-N 3.19Å; A541-N545 WeakPolarHBondContact O-CB 3.46Å; A541-N545 PolarHBondContact O-N 3.15Å
542	A	80.2	Confident	76.2	Confident	7 Å²	7	62.6 Å²	62.6	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-38.7	172.5	0	0	0	0	0	112.4	V527 Y531 L534 F538 H539 N545 V546	V527-A542 HydrophobicContact CG1-CB 3.73Å; V527-A542 HydrophobicContact CG2-CB 4.08Å; Y531-A542 HydrophobicContact CD1-CB 4.1Å; Y531-A542 HydrophobicContact CD2-CB 4.16Å; Y531-A542 HydrophobicContact CE1-CB 3.77Å; Y531-A542 HydrophobicContact CE2-CB 3.84Å; Y531-A542 HydrophobicContact CG-CB 4.27Å; L534-A542 HydrophobicContact CD2-CB 3.41Å; L534-A542 VanDerWaalsContact CD2-CB 3.41Å; F538-A542 PolarHBondContact O-N 3.46Å; H539-A542 PolarHBondContact O-N 2.99Å; A542-N545 PolarHBondContact O-N 3.08Å; A542-V546 WeakPolarHBondContact O-CB 3.27Å; A542-V546 WeakPolarHBondContact O-CG2 3.43Å; A542-V546 PolarHBondContact O-N 3.25Å
543	E	82	Confident	76.8	Confident	46 Å²	46	55 Å²	55	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-42.4	176.5	-174.7	156.3	-154.9	0	0	111.3	A523 K524 V527 H539 F540 N545 V546 L547	A523-E543 HydrophobicContact CB-CG 3.79Å; A523-E543 WeakPolarHBondContact CB-OE1 3.18Å; K524-E543 WeakPolarHBondContact CA-OE1 3.08Å; K524-E543 WeakPolarHBondContact CB-OE1 3.28Å; K524-E543 PolarHBondContact N-OE1 3.22Å; V527-E543 HydrophobicContact CG2-CB 3.98Å; H539-E543 PolarHBondContact O-N 2.99Å; F540-E543 PolarHBondContact O-N 2.92Å; E543-N545 VanDerWaalsContact C-N 3.35Å; E543-N545 PolarHBondContact O-N 3.08Å; E543-V546 PolarHBondContact O-N 2.87Å; E543-L547 HydrophobicContact CG-CD1 4.23Å; E543-L547 WeakPolarHBondContact O-CB 3.39Å; E543-L547 VanDerWaalsContact O-CG 3.28Å; E543-L547 WeakPolarHBondContact O-CG 3.41Å; E543-L547 PolarHBondContact O-N 3.11Å
544	R	80.2	Confident	77.3	Confident	134 Å²	134	54.8 Å²	54.8	51%	0.506	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-41.1	170.7	-71.2	-179.7	75.2	106.3	-5.9	112.2	F540 L547 T548	F540-R544 HydrophobicContact CZ-CG 4.46Å; F540-R544 WeakPolarHBondContact O-CG 3.1Å; F540-R544 PolarHBondContact O-N 3.13Å; R544-L547 PolarHBondContact O-N 3.41Å; R544-T548 WeakPolarHBondContact O-CG2 3.07Å; R544-T548 PolarHBondContact O-N 3.36Å; R544-T548 PolarHBondContact O-OG1 3.2Å
545	N	83.5	Confident	77	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-40.1	176.4	179	-117.8	0	0	0	112.7	M463 Y531 A541 A542 E543 T548 H549	M463-N545 WeakPolarHBondContact CE-ND2 3.41Å; Y531-N545 PolarHBondContact OH-OD1 2.93Å; A541-N545 WeakPolarHBondContact O-CB 3.46Å; A541-N545 PolarHBondContact O-N 3.15Å; A542-N545 PolarHBondContact O-N 3.08Å; E543-N545 VanDerWaalsContact C-N 3.35Å; E543-N545 PolarHBondContact O-N 3.08Å; N545-T548 PolarHBondContact O-N 3.16Å; N545-T548 PolarHBondContact O-OG1 3.26Å; N545-H549 PolarHBondContact O-CD2 3.07Å; N545-H549 VanDerWaalsContact O-CD2 3.28Å; N545-H549 PolarHBondContact O-N 2.89Å; N545-H549 VanDerWaalsContact O-N 3.12Å
546	V	87.1	Confident	76.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-45.6	172.1	165	0	0	0	0	110.4	V510 A523 I526 V527 Y531 A542 E543 T548 H549 L550	V510-V546 HydrophobicContact CG2-CG2 4.29Å; A523-V546 HydrophobicContact CB-CG1 4.04Å; I526-V546 HydrophobicContact CB-CG1 3.95Å; I526-V546 HydrophobicContact CD1-CG1 4.41Å; I526-V546 HydrophobicContact CG2-CG1 3.69Å; I526-V546 HydrophobicContact CG2-CG2 4.11Å; V527-V546 HydrophobicContact CG2-CB 4.26Å; V527-V546 HydrophobicContact CG2-CG2 3.8Å; Y531-V546 HydrophobicContact CE2-CG2 4.04Å; A542-V546 WeakPolarHBondContact O-CB 3.27Å; A542-V546 WeakPolarHBondContact O-CG2 3.43Å; A542-V546 PolarHBondContact O-N 3.25Å; E543-V546 PolarHBondContact O-N 2.87Å; V546-T548 VanDerWaalsContact C-N 3.33Å; V546-T548 PolarHBondContact O-N 2.85Å; V546-H549 PolarHBondContact O-N 3.47Å; V546-L550 HydrophobicContact CG1-CD1 3.62Å; V546-L550 HydrophobicContact CG1-CG 4.2Å; V546-L550 WeakPolarHBondContact O-CB 2.92Å; V546-L550 WeakPolarHBondContact O-CG 3.45Å; V546-L550 PolarHBondContact O-N 3.19Å
547	L	86.5	Confident	76.6	Confident	61 Å²	61	58.8 Å²	58.8	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-38	177.1	-74	167.4	0	0	0	113	A523 E543 R544 L550 R551	A523-L547 HydrophobicContact CB-CD2 3.71Å; A523-L547 HydrophobicContact CB-CG 3.82Å; E543-L547 HydrophobicContact CG-CD1 4.23Å; E543-L547 WeakPolarHBondContact O-CB 3.39Å; E543-L547 VanDerWaalsContact O-CG 3.28Å; E543-L547 WeakPolarHBondContact O-CG 3.41Å; E543-L547 PolarHBondContact O-N 3.11Å; R544-L547 PolarHBondContact O-N 3.41Å; L547-L550 HydrophobicContact CD2-CD1 4.49Å; L547-L550 PolarHBondContact O-N 2.95Å; L547-R551 WeakPolarHBondContact O-CG 3.3Å; L547-R551 PolarHBondContact O-N 3.43Å
548	T	86	Confident	76.4	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-75.2	-32.1	177.7	58.1	0	0	0	0	113.2	S461 M463 R544 N545 V546 K552	S461-T548 WeakPolarHBondContact O-CG2 3.28Å; M463-T548 VanDerWaalsContact CB-O 3.29Å; M463-T548 WeakPolarHBondContact CB-O 3.48Å; R544-T548 WeakPolarHBondContact O-CG2 3.07Å; R544-T548 PolarHBondContact O-N 3.36Å; R544-T548 PolarHBondContact O-OG1 3.2Å; N545-T548 PolarHBondContact O-N 3.16Å; N545-T548 PolarHBondContact O-OG1 3.26Å; V546-T548 VanDerWaalsContact C-N 3.33Å; V546-T548 PolarHBondContact O-N 2.85Å; T548-K552 PolarHBondContact O-N 2.56Å; T548-K552 VanDerWaalsContact O-N 3.15Å
549	H	88.1	Confident	75.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-44.8	165.3	-82	-70.6	0	0	0	112	M463 R503 R506 E507 V510 N545 V546 R551 K552 L553	M463-H549 WeakPolarHBondContact CE-NE2 3.2Å; R503-H549 PolarHBondContact O-CE1 3.28Å; R506-H549 WeakPolarHBondContact CG-NE2 3.07Å; E507-H549 IonicContact OE2-ND1 2.78Å; E507-H549 PolarHBondContact OE2-ND1 3.3Å; V510-H549 HydrophobicContact CG2-CB 4.42Å; N545-H549 PolarHBondContact O-CD2 3.07Å; N545-H549 VanDerWaalsContact O-CD2 3.28Å; N545-H549 PolarHBondContact O-N 2.89Å; N545-H549 VanDerWaalsContact O-N 3.12Å; V546-H549 PolarHBondContact O-N 3.47Å; H549-R551 PolarHBondContact O-N 2.88Å; H549-K552 PolarHBondContact O-N 3.41Å; H549-L553 WeakPolarHBondContact O-CB 3.3Å; H549-L553 VanDerWaalsContact O-CG 3.31Å; H549-L553 WeakPolarHBondContact O-CG 3.4Å; H549-L553 PolarHBondContact O-N 3.03Å
550	L	87.6	Confident	74.4	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-40.9	178.8	-69.6	166.3	0	0	0	112.3	V510 L514 A523 I526 V546 L547 L553 Q554 F561 I572	V510-L550 HydrophobicContact CG1-CD2 3.69Å; V510-L550 HydrophobicContact CG1-CG 4.22Å; L514-L550 HydrophobicContact CD1-CD2 3.74Å; A523-L550 HydrophobicContact CB-CD1 4.31Å; I526-L550 HydrophobicContact CD1-CD1 4.2Å; I526-L550 HydrophobicContact CD1-CD2 4.29Å; V546-L550 HydrophobicContact CG1-CD1 3.62Å; V546-L550 HydrophobicContact CG1-CG 4.2Å; V546-L550 WeakPolarHBondContact O-CB 2.92Å; V546-L550 WeakPolarHBondContact O-CG 3.45Å; V546-L550 PolarHBondContact O-N 3.19Å; L547-L550 HydrophobicContact CD2-CD1 4.49Å; L547-L550 PolarHBondContact O-N 2.95Å; L550-L553 PolarHBondContact O-N 2.98Å; L550-Q554 PolarHBondContact O-N 2.99Å; L550-F561 HydrophobicContact CB-CZ 4.35Å; L550-I572 HydrophobicContact CB-CD1 4.29Å; L550-I572 HydrophobicContact CD1-CD1 3.6Å; L550-I572 HydrophobicContact CD2-CD1 3.7Å; L550-I572 HydrophobicContact CG-CD1 4.06Å
551	R	83.8	Confident	73.4	Confident	158 Å²	158	53.8 Å²	53.8	60%	0.596	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-44.5	172.3	-73.6	174.3	-179.3	-179.5	-2.3	112.3	L547 H549 L553 Q554	L547-R551 WeakPolarHBondContact O-CG 3.3Å; L547-R551 PolarHBondContact O-N 3.43Å; H549-R551 PolarHBondContact O-N 2.88Å; R551-L553 VanDerWaalsContact C-N 3.3Å; R551-L553 PolarHBondContact O-N 3.38Å; R551-Q554 WeakPolarHBondContact O-CB 3.46Å; R551-Q554 PolarHBondContact O-N 3.1Å
552	K	85.6	Confident	71.9	Confident	41 Å²	41	55.7 Å²	55.7	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-36.1	175.2	173.3	178.9	171.5	-65.1	0	112.4	M463 K464 E507 T548 H549	M463-K552 HydrophobicContact CB-CB 4.08Å; M463-K552 HydrophobicContact CB-CD 4.18Å; M463-K552 HydrophobicContact CG-CB 4.43Å; M463-K552 HydrophobicContact CG-CD 3.78Å; K464-K552 HydrophobicContact CB-CB 4.32Å; K464-K552 HydrophobicContact CB-CG 4.19Å; E507-K552 IonicContact OE1-NZ 2.71Å; E507-K552 PolarHBondContact OE1-NZ 3.06Å; E507-K552 WeakPolarHBondContact OE2-CD 3.31Å; E507-K552 WeakPolarHBondContact OE2-CE 3.31Å; E507-K552 IonicContact OE2-NZ 3.6Å; E507-K552 PolarHBondContact OE2-NZ 3.31Å; T548-K552 PolarHBondContact O-N 2.56Å; T548-K552 VanDerWaalsContact O-N 3.15Å; H549-K552 PolarHBondContact O-N 3.41Å
553	L	84.4	Confident	69.7	Low	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-75.9	-24	179.1	-70.6	173.5	0	0	0	113.4	E507 V510 L511 H549 L550 R551 D555 S556 V557 M559	E507-L553 HydrophobicContact CG-CD1 4.09Å; E507-L553 HydrophobicContact CG-CD2 3.81Å; E507-L553 HydrophobicContact CG-CG 4.14Å; V510-L553 HydrophobicContact CG1-CD1 4.06Å; L511-L553 HydrophobicContact CD1-CD2 4.15Å; L511-L553 HydrophobicContact CD2-CD1 3.84Å; L511-L553 HydrophobicContact CD2-CD2 4.04Å; L511-L553 HydrophobicContact CG-CD1 3.91Å; L511-L553 HydrophobicContact CG-CD2 4.23Å; H549-L553 WeakPolarHBondContact O-CB 3.3Å; H549-L553 VanDerWaalsContact O-CG 3.31Å; H549-L553 WeakPolarHBondContact O-CG 3.4Å; H549-L553 PolarHBondContact O-N 3.03Å; L550-L553 PolarHBondContact O-N 2.98Å; R551-L553 VanDerWaalsContact C-N 3.3Å; R551-L553 PolarHBondContact O-N 3.38Å; L553-D555 PolarHBondContact O-N 3.49Å; L553-S556 PolarHBondContact O-N 3.1Å; L553-V557 HydrophobicContact CD2-CG2 3.98Å; L553-V557 WeakPolarHBondContact O-CB 3.29Å; L553-V557 PolarHBondContact O-N 2.64Å; L553-M559 HydrophobicContact CB-CE 3.87Å; L553-M559 HydrophobicContact CB-SD 4.23Å; L553-M559 HydrophobicContact CD1-CE 4.01Å; L553-M559 HydrophobicContact CG-CE 4.48Å
554	Q	76.3	Confident	67.3	Low	102 Å²	102	60.5 Å²	60.5	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-33.2	178	-175.3	174.1	-15.4	0	0	113	L550 R551 F561	L550-Q554 PolarHBondContact O-N 2.99Å; R551-Q554 WeakPolarHBondContact O-CB 3.46Å; R551-Q554 PolarHBondContact O-N 3.1Å; Q554-F561 HydrophobicContact CB-CE2 3.88Å; Q554-F561 HydrophobicContact CB-CZ 4.41Å; Q554-F561 HydrophobicContact CG-CD2 4.29Å; Q554-F561 HydrophobicContact CG-CE2 3.72Å
555	D	63.8	Low	64.9	Low	107 Å²	107	59.4 Å²	59.4	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.3	178.1	-70.3	-11.2	0	0	0	113.5	K464 L553	K464-D555 WeakPolarHBondContact CE-OD2 3.49Å; K464-D555 IonicContact NZ-OD2 3.82Å; K464-D555 PolarHBondContact NZ-OD2 2.74Å; L553-D555 PolarHBondContact O-N 3.49Å
556	S	62.1	Low	62.3	Low	82 Å²	82	63.2 Å²	63.2	57%	0.573	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-11.6	-167.8	65.4	0	0	0	0	114.6	L553	L553-S556 PolarHBondContact O-N 3.1Å
557	V	58.2	Low	59.9	Low	55 Å²	55	66.4 Å²	66.4	33%	0.333	36%	0.356	S	S	.	.	S	Bend	trans	-133.9	137.8	-178.3	-176.5	0	0	0	0	109.4	L511 L553 M559	L511-V557 HydrophobicContact CD2-CG2 4.27Å; L553-V557 HydrophobicContact CD2-CG2 3.98Å; L553-V557 WeakPolarHBondContact O-CB 3.29Å; L553-V557 PolarHBondContact O-N 2.64Å; V557-M559 VanDerWaalsContact C-N 3.29Å; V557-M559 HydrophobicContact CB-CE 3.97Å; V557-M559 HydrophobicContact CB-CG 4.15Å; V557-M559 HydrophobicContact CG1-CE 3.8Å; V557-M559 HydrophobicContact CG1-CG 3.96Å; V557-M559 PolarHBondContact O-N 2.82Å
558	D	49.7	Very low	57.3	Low	104 Å²	104	68 Å²	68	56%	0.556	36%	0.364	S	S	*	.			trans	-67.5	82.8	178.7	-120.7	-19.1	0	0	0	111.4	K575	D558-K575 HydrophobicContact CB-CB 4.02Å; D558-K575 HydrophobicContact CB-CD 3.79Å; D558-K575 WeakPolarHBondContact O-CB 3.33Å; D558-K575 PolarHBondContact O-N 2.85Å; D558-K575 WeakPolarHBondContact OD1-CD 2.83Å; D558-K575 WeakPolarHBondContact OD1-CE 3.44Å; D558-K575 IonicContact OD1-NZ 3.25Å; D558-K575 PolarHBondContact OD1-NZ 2.89Å; D558-K575 WeakPolarHBondContact OD2-CD 3.45Å; D558-K575 IonicContact OD2-NZ 3.79Å; D558-K575 PolarHBondContact OD2-NZ 2.97Å
559	M	53.3	Low	54.8	Low	26 Å²	26	71 Å²	71	13%	0.128	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.4	-178.5	-63.6	-162.5	-178.6	0	0	111.2	L511 L514 L553 V557 I572	L511-M559 HydrophobicContact CD2-CE 3.78Å; L514-M559 HydrophobicContact CD1-CE 3.46Å; L514-M559 VanDerWaalsContact CD1-CE 3.46Å; L514-M559 HydrophobicContact CD1-SD 3.89Å; L553-M559 HydrophobicContact CB-CE 3.87Å; L553-M559 HydrophobicContact CB-SD 4.23Å; L553-M559 HydrophobicContact CD1-CE 4.01Å; L553-M559 HydrophobicContact CG-CE 4.48Å; V557-M559 VanDerWaalsContact C-N 3.29Å; V557-M559 HydrophobicContact CB-CE 3.97Å; V557-M559 HydrophobicContact CB-CG 4.15Å; V557-M559 HydrophobicContact CG1-CE 3.8Å; V557-M559 HydrophobicContact CG1-CG 3.96Å; V557-M559 PolarHBondContact O-N 2.82Å; M559-I572 HydrophobicContact CB-CG2 4.32Å; M559-I572 HydrophobicContact SD-CG2 4.04Å
560	V	47.7	Very low	52.3	Low	61 Å²	61	75.2 Å²	75.2	37%	0.37	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.2	172.4	-177.1	0	0	0	0	109.2	M562 K573	V560-M562 HydrophobicContact CG1-SD 4.33Å; V560-K573 PolarHBondContact N-O 2.88Å; V560-K573 PolarHBondContact O-N 3.05Å
561	F	47.6	Very low	50.1	Low	61 Å²	61	80.3 Å²	80.3	27%	0.268	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125	169.3	-72	-106.8	0	0	0	109	L550 Q554 I572	L550-F561 HydrophobicContact CB-CZ 4.35Å; Q554-F561 HydrophobicContact CB-CE2 3.88Å; Q554-F561 HydrophobicContact CB-CZ 4.41Å; Q554-F561 HydrophobicContact CG-CD2 4.29Å; Q554-F561 HydrophobicContact CG-CE2 3.72Å; F561-I572 HydrophobicContact CD1-CD1 3.84Å; F561-I572 HydrophobicContact CD1-CG1 3.75Å; F561-I572 HydrophobicContact CE1-CD1 3.35Å; F561-I572 HydrophobicContact CE1-CG1 3.81Å; F561-I572 HydrophobicContact CG-CG1 4.28Å; F561-I572 HydrophobicContact CZ-CD1 3.78Å; F561-I572 HydrophobicContact CZ-CG1 4.36Å
562	M	37.5	Very low	48.1	Very low	90 Å²	90	73 Å²	73	44%	0.443	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.4	174.2	-62.7	-78.6	-65	0	0	108.4	V560 V564 R571	V560-M562 HydrophobicContact CG1-SD 4.33Å; M562-V564 HydrophobicContact CB-CG2 3.95Å; M562-R571 HydrophobicContact CB-CB 4.5Å; M562-R571 WeakPolarHBondContact CB-O 3.43Å; M562-R571 PolarHBondContact N-O 2.86Å; M562-R571 PolarHBondContact O-N 2.89Å
563	S	33.2	Very low	45.9	Very low	103 Å²	103	76.2 Å²	76.2	72%	0.72	41%	0.412	S	S	*	.			trans	-69.3	128.4	156.1	45.6	0	0	0	0	108.2
564	V	32.1	Very low	43.8	Very low	50 Å²	50	78.8 Å²	78.8	30%	0.303	43%	0.429	S	S	.	.			trans	-130.4	83.6	-177	-175.7	0	0	0	0	107.1	M562 L568 R571	M562-V564 HydrophobicContact CB-CG2 3.95Å; V564-L568 WeakPolarHBondContact O-CB 3.44Å; V564-R571 HydrophobicContact CG2-CB 4.43Å
565	L	28.3	Very low	42.1	Very low	112 Å²	112	78.7 Å²	78.7	59%	0.586	43%	0.426	S	S	*	.	S	Bend	trans	67	153.2	-170.4	-58.6	163.3	0	0	0	113.5	H567 L568	L565-H567 WeakPolarHBondContact CB-NE2 3.44Å; L565-H567 PolarHBondContact O-N 3.34Å; L565-L568 HydrophobicContact CD1-CD1 4.13Å
566	P	29.1	Very low	41.1	Very low	103 Å²	103	85.5 Å²	85.5	67%	0.669	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.9	-176.3	26.8	-35.1	0	0	0	114	L949	P566-L949 HydrophobicContact CB-CD1 4.02Å; P566-L949 HydrophobicContact CG-CD1 3.66Å
567	H	36.6	Very low	39.9	Very low	67 Å²	67	88.4 Å²	88.4	31%	0.31	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	18.5	-173.5	47.6	-122.2	0	0	0	113.8	L565 D951	L565-H567 WeakPolarHBondContact CB-NE2 3.44Å; L565-H567 PolarHBondContact O-N 3.34Å; H567-D951 VanDerWaalsContact CE1-CG 3.42Å; H567-D951 IonicContact CE1-OD1 2.71Å; H567-D951 PolarHBondContact CE1-OD1 3.28Å; H567-D951 VanDerWaalsContact CE1-OD1 3.32Å; H567-D951 IonicContact CE1-OD2 3.51Å; H567-D951 PolarHBondContact CE1-OD2 2.91Å; H567-D951 VanDerWaalsContact CE1-OD2 3.29Å; H567-D951 IonicContact CG-OD2 3.8Å; H567-D951 IonicContact ND1-OD1 3.58Å; H567-D951 PolarHBondContact ND1-OD1 3.35Å; H567-D951 IonicContact ND1-OD2 3.54Å; H567-D951 PolarHBondContact ND1-OD2 3.29Å
568	L	32.2	Very low	38.6	Very low	94 Å²	94	96.2 Å²	96.2	49%	0.492	48%	0.483	S	S	.	.	S	Bend	trans	-135.7	132.4	-176.6	-102.1	163.3	0	0	0	110.3	V564 L565	V564-L568 WeakPolarHBondContact O-CB 3.44Å; L565-L568 HydrophobicContact CD1-CD1 4.13Å
569	P	34.1	Very low	37.7	Very low	71 Å²	71	100.4 Å²	100.4	46%	0.461	50%	0.496	S	S	.	.			trans	-67.5	142.5	-170	11.3	-14.1	0	0	0	113.4	T522 R571	T522-P569 HydrophobicContact CG2-CB 3.98Å; T522-P569 HydrophobicContact CG2-CG 4.07Å; T522-P569 WeakPolarHBondContact CG2-O 3.39Å; P569-R571 PolarHBondContact O-N 2.93Å
570	L	35.3	Very low	36.5	Very low	90 Å²	90	104.7 Å²	104.7	47%	0.471	53%	0.528	S	S	.	.			trans	-45.2	129.8	-178	-75.3	162.6	0	0	0	112.7	T522	T522-L570 WeakPolarHBondContact CA-O 3.39Å
571	R	41.1	Very low	35.5	Very low	107 Å²	107	106.2 Å²	106.2	40%	0.404	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.4	176.2	-81.8	-173.8	159	168.9	-2.1	111.7	G520 L521 T522 M562 V564 P569	G520-R571 WeakPolarHBondContact O-CD 3.42Å; G520-R571 WeakPolarHBondContact O-CG 3.46Å; G520-R571 PolarHBondContact O-NE 2.78Å; G520-R571 VanDerWaalsContact O-NE 3.17Å; L521-R571 WeakPolarHBondContact O-CA 3.23Å; T522-R571 HydrophobicContact CG2-CG 4.01Å; M562-R571 HydrophobicContact CB-CB 4.5Å; M562-R571 WeakPolarHBondContact CB-O 3.43Å; M562-R571 PolarHBondContact N-O 2.86Å; M562-R571 PolarHBondContact O-N 2.89Å; V564-R571 HydrophobicContact CG2-CB 4.43Å; P569-R571 PolarHBondContact O-N 2.93Å
572	I	41.1	Very low	34.6	Very low	5 Å²	5	109.6 Å²	109.6	3%	0.026	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	133.7	-176.6	-56.2	174.6	0	0	0	110	L514 G520 L521 L550 M559 F561	L514-I572 HydrophobicContact CD2-CB 4.1Å; L514-I572 HydrophobicContact CD2-CG2 4.03Å; G520-I572 WeakPolarHBondContact CA-O 3.32Å; L521-I572 PolarHBondContact N-O 3.02Å; L521-I572 PolarHBondContact O-N 2.86Å; L550-I572 HydrophobicContact CB-CD1 4.29Å; L550-I572 HydrophobicContact CD1-CD1 3.6Å; L550-I572 HydrophobicContact CD2-CD1 3.7Å; L550-I572 HydrophobicContact CG-CD1 4.06Å; M559-I572 HydrophobicContact CB-CG2 4.32Å; M559-I572 HydrophobicContact SD-CG2 4.04Å; F561-I572 HydrophobicContact CD1-CD1 3.84Å; F561-I572 HydrophobicContact CD1-CG1 3.75Å; F561-I572 HydrophobicContact CE1-CD1 3.35Å; F561-I572 HydrophobicContact CE1-CG1 3.81Å; F561-I572 HydrophobicContact CG-CG1 4.28Å; F561-I572 HydrophobicContact CZ-CD1 3.78Å; F561-I572 HydrophobicContact CZ-CG1 4.36Å
573	K	41.1	Very low	33.9	Very low	108 Å²	108	109.9 Å²	109.9	47%	0.47	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.8	140.8	176.9	-74.8	-171.5	175.4	-173.9	0	112.9	V560	V560-K573 PolarHBondContact N-O 2.88Å; V560-K573 PolarHBondContact O-N 3.05Å
574	P	40.2	Very low	33.7	Very low	57 Å²	57	113.5 Å²	113.5	37%	0.37	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	140.9	166.5	32.2	-33.5	0	0	0	111.5	R576	P574-R576 PolarHBondContact O-N 2.92Å
575	K	40.5	Very low	33.3	Very low	99 Å²	99	118 Å²	118	43%	0.43	62%	0.621	S	S	.	*	S	Bend	trans	-80	-4.3	-169.7	-151.3	-178.3	-172.6	-174.5	0	115.8	D558 T577	D558-K575 HydrophobicContact CB-CB 4.02Å; D558-K575 HydrophobicContact CB-CD 3.79Å; D558-K575 WeakPolarHBondContact O-CB 3.33Å; D558-K575 PolarHBondContact O-N 2.85Å; D558-K575 WeakPolarHBondContact OD1-CD 2.83Å; D558-K575 WeakPolarHBondContact OD1-CE 3.44Å; D558-K575 IonicContact OD1-NZ 3.25Å; D558-K575 PolarHBondContact OD1-NZ 2.89Å; D558-K575 WeakPolarHBondContact OD2-CD 3.45Å; D558-K575 IonicContact OD2-NZ 3.79Å; D558-K575 PolarHBondContact OD2-NZ 2.97Å; K575-T577 VanDerWaalsContact C-N 3.27Å; K575-T577 PolarHBondContact O-N 2.89Å
576	R	41.5	Very low	33.3	Very low	250 Å²	250	118.9 Å²	118.9	94%	0.943	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	5.8	-161.6	-98.6	-173.9	177.4	-175.9	-0.6	117.8	P574	P574-R576 PolarHBondContact O-N 2.92Å
577	T	37.8	Very low	33.1	Very low	144 Å²	144	124.6 Å²	124.6	88%	0.883	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	1.8	179.6	47.3	0	0	0	0	114.9	K575	K575-T577 VanDerWaalsContact C-N 3.27Å; K575-T577 PolarHBondContact O-N 2.89Å
578	W	31.1	Very low	32.7	Very low	219 Å²	219	125.4 Å²	125.4	83%	0.83	65%	0.652	S	S	*	*			trans	-96.1	113.9	-179.3	-125.7	-37.1	0	0	0	112.5
579	K	30.9	Very low	32.5	Very low	191 Å²	191	127 Å²	127	83%	0.83	66%	0.657	S	S	*	*			trans	-92.3	110.3	165.7	-81.8	-170.9	174	-176.6	0	110.9	S581	K579-S581 PolarHBondContact O-N 3.19Å
580	S	28	Very low	32.4	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	67%	0.673	S	S	*	*	S	Bend	trans	32.3	81.5	149.9	61.6	0	0	0	0	118.6
581	S	26.5	Very low	32.1	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	69%	0.69	S	S	*	*			trans	-165.5	152.4	143.4	38.2	0	0	0	0	110.2	K579	K579-S581 PolarHBondContact O-N 3.19Å
582	C	27.9	Very low	31.8	Very low	131 Å²	131	134.5 Å²	134.5	89%	0.885	70%	0.702	S	S	*	*			trans	56.4	78.8	178.5	-61.2	0	0	0	0	116.2
583	A	24.5	Very low	31.3	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	72%	0.723	S	S	*	*			trans	-87.4	105.6	160.4	0	0	0	0	0	110.2
584	H	27.9	Very low	30.8	Very low	179 Å²	179	140.2 Å²	140.2	83%	0.829	73%	0.731	S	S	*	*			trans	-145.3	131.3	158.9	-91.2	-74	0	0	0	109.7
585	V	24.8	Very low	30.5	Very low	144 Å²	144	141.5 Å²	141.5	87%	0.873	75%	0.746	S	S	*	*			trans	-84.3	123.2	173.6	176.5	0	0	0	0	108.5
586	V	27.5	Very low	30.2	Very low	130 Å²	130	139.9 Å²	139.9	79%	0.788	74%	0.744	S	S	*	*			trans	-128.3	134.5	170.6	-176.3	0	0	0	0	108
587	R	25.8	Very low	30	Very low	224 Å²	224	133 Å²	133	85%	0.845	72%	0.722	S	S	*	*			trans	-78.3	148.9	176.8	-67.1	172.9	170.8	158.1	-5.6	110.1
588	S	27.6	Very low	30	Very low	84 Å²	84	128.7 Å²	128.7	59%	0.587	71%	0.707	S	S	*	*	S	Bend	trans	54.3	129.4	154.2	43.5	0	0	0	0	121.3	H590	S588-H590 PolarHBondContact O-N 2.88Å
589	E	28.4	Very low	30.6	Very low	128 Å²	128	122.3 Å²	122.3	60%	0.598	69%	0.689	S	S	*	*	S	Bend	trans	84.4	-15.9	135.5	-70.5	157.5	177	0	0	122.7	R947	E589-R947 IonicContact OE1-CZ 3.92Å; E589-R947 IonicContact OE1-NH1 2.74Å; E589-R947 PolarHBondContact OE1-NH1 3.42Å; E589-R947 IonicContact OE1-NH2 2.74Å; E589-R947 PolarHBondContact OE1-NH2 3.06Å
590	H	32.1	Very low	31.5	Very low	171 Å²	171	114.3 Å²	114.3	79%	0.792	66%	0.656	S	S	*	*			trans	-113.2	35	-175	-64.7	-69.8	0	0	0	118.3	S588	S588-H590 PolarHBondContact O-N 2.88Å
591	L	28.2	Very low	32.3	Very low	160 Å²	160	115.7 Å²	115.7	84%	0.838	65%	0.647	S	S	*	*			trans	-112.8	5.2	-170	-102.4	166.6	0	0	0	118
592	S	34.2	Very low	33.5	Very low	93 Å²	93	112.1 Å²	112.1	65%	0.65	63%	0.625	S	S	*	*	S	Bend	trans	-83.2	-42.1	-174	52.4	0	0	0	0	115.4
593	L	30.5	Very low	34.7	Very low	91 Å²	91	106.3 Å²	106.3	48%	0.476	59%	0.585	S	S	.	*	S	Bend	trans	-77.7	-36.5	-166.3	-83.5	159.5	0	0	0	115.4	A595 V596 Q597	L593-A595 PolarHBondContact O-N 2.95Å; L593-A595 VanDerWaalsContact O-N 3.07Å; L593-V596 WeakPolarHBondContact O-CB 3.16Å; L593-V596 PolarHBondContact O-N 3.04Å; L593-Q597 PolarHBondContact O-N 2.87Å
594	K	30.7	Very low	35.9	Very low	143 Å²	143	102.2 Å²	102.2	62%	0.622	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-21.7	-167.4	-67.8	-175.7	176.3	178.6	0	114.7
595	A	33.4	Very low	36.8	Very low	84 Å²	84	95.9 Å²	95.9	69%	0.694	53%	0.526	S	S	*	.	H	α-helix	trans	-84.8	-15.6	174.3	0	0	0	0	0	114	L593	L593-A595 PolarHBondContact O-N 2.95Å; L593-A595 VanDerWaalsContact O-N 3.07Å
596	V	36.1	Very low	37.6	Very low	64 Å²	64	90.4 Å²	90.4	39%	0.388	50%	0.499	S	S	.	.	H	α-helix	trans	-87.1	-45.3	-179.4	-179.4	0	0	0	0	110.4	L593 G598 N599 L600	L593-V596 WeakPolarHBondContact O-CB 3.16Å; L593-V596 PolarHBondContact O-N 3.04Å; V596-G598 VanDerWaalsContact C-N 3.33Å; V596-G598 PolarHBondContact O-N 3.34Å; V596-N599 PolarHBondContact O-N 2.68Å; V596-L600 HydrophobicContact CG1-CD1 3.71Å; V596-L600 HydrophobicContact CG1-CD2 4.09Å; V596-L600 HydrophobicContact CG1-CG 4.48Å; V596-L600 PolarHBondContact O-N 2.64Å
597	Q	36.8	Very low	37.7	Very low	105 Å²	105	91.1 Å²	91.1	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-54	-43.4	-176.1	-71	169.7	-42.3	0	0	113.3	L593 N599 L600 F601	L593-Q597 PolarHBondContact O-N 2.87Å; Q597-N599 VanDerWaalsContact C-N 3.34Å; Q597-N599 PolarHBondContact O-N 3.2Å; Q597-L600 PolarHBondContact O-N 2.82Å; Q597-F601 PolarHBondContact O-N 3.12Å
598	G	36.7	Very low	37.8	Very low	55 Å²	55	83.4 Å²	83.4	57%	0.567	48%	0.482	S	S	*	.	H	α-helix	trans	-61.7	-35.4	-178.6	0	0	0	0	0	114.6	V596	V596-G598 VanDerWaalsContact C-N 3.33Å; V596-G598 PolarHBondContact O-N 3.34Å
599	N	45	Very low	37.7	Very low	85 Å²	85	88.8 Å²	88.8	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-85.1	-31	176.2	-77.9	-6.6	0	0	0	112.3	V596 Q597 G602 L603	V596-N599 PolarHBondContact O-N 2.68Å; Q597-N599 VanDerWaalsContact C-N 3.34Å; Q597-N599 PolarHBondContact O-N 3.2Å; N599-G602 PolarHBondContact O-N 3.13Å; N599-L603 WeakPolarHBondContact O-CG 3.45Å; N599-L603 PolarHBondContact O-N 2.79Å; N599-L603 VanDerWaalsContact O-N 3.14Å
600	L	49.1	Very low	37.6	Very low	23 Å²	23	88.8 Å²	88.8	12%	0.12	50%	0.498	C	S	.	.	H	α-helix	trans	-61.6	-44.3	171.9	-100.6	58.8	0	0	0	111.4	V596 Q597 G602 L603 V604 F640 Y655	V596-L600 HydrophobicContact CG1-CD1 3.71Å; V596-L600 HydrophobicContact CG1-CD2 4.09Å; V596-L600 HydrophobicContact CG1-CG 4.48Å; V596-L600 PolarHBondContact O-N 2.64Å; Q597-L600 PolarHBondContact O-N 2.82Å; L600-G602 VanDerWaalsContact C-N 3.28Å; L600-G602 PolarHBondContact O-N 2.57Å; L600-L603 HydrophobicContact CD1-CD1 4.44Å; L600-L603 WeakPolarHBondContact O-CB 3.39Å; L600-L603 PolarHBondContact O-N 3.05Å; L600-V604 WeakPolarHBondContact O-CG2 3.43Å; L600-V604 PolarHBondContact O-N 3.09Å; L600-F640 HydrophobicContact CB-CZ 4.27Å; L600-F640 HydrophobicContact CD2-CE1 3.84Å; L600-F640 HydrophobicContact CD2-CZ 3.72Å; L600-F640 HydrophobicContact CG-CE1 4.44Å; L600-F640 HydrophobicContact CG-CZ 4.09Å; L600-Y655 HydrophobicContact CD1-CE2 4.13Å
601	F	45.8	Very low	37.2	Very low	144 Å²	144	85.3 Å²	85.3	63%	0.632	50%	0.499	S	S	*	.	H	α-helix	trans	-59.5	-36.6	176	-104.9	-89.7	0	0	0	113	Q597 V604 S605	Q597-F601 PolarHBondContact O-N 3.12Å; F601-V604 PolarHBondContact O-N 2.97Å; F601-S605 VanDerWaalsContact O-CB 3.32Å; F601-S605 WeakPolarHBondContact O-CB 3.48Å; F601-S605 PolarHBondContact O-N 2.65Å; F601-S605 PolarHBondContact O-OG 2.86Å
602	G	50.4	Low	37.2	Very low	19 Å²	19	84.1 Å²	84.1	20%	0.196	50%	0.498	C	S	.	.	H	α-helix	trans	-68.9	-30.7	173.9	0	0	0	0	0	114.2	N599 L600 G606	N599-G602 PolarHBondContact O-N 3.13Å; L600-G602 VanDerWaalsContact C-N 3.28Å; L600-G602 PolarHBondContact O-N 2.57Å; G602-G606 PolarHBondContact O-N 3.47Å
603	L	53.6	Low	36.7	Very low	10 Å²	10	85.2 Å²	85.2	5%	0.052	51%	0.506	C	S	.	.	H	α-helix	trans	-69.4	-41	172.8	-70.9	168.3	0	0	0	111.9	N599 L600 R648 F651 Y655 Y658 Y678	N599-L603 WeakPolarHBondContact O-CG 3.45Å; N599-L603 PolarHBondContact O-N 2.79Å; N599-L603 VanDerWaalsContact O-N 3.14Å; L600-L603 HydrophobicContact CD1-CD1 4.44Å; L600-L603 WeakPolarHBondContact O-CB 3.39Å; L600-L603 PolarHBondContact O-N 3.05Å; L603-R648 VanDerWaalsContact O-CD 3.28Å; L603-R648 WeakPolarHBondContact O-CD 3.3Å; L603-R648 PolarHBondContact O-NH1 2.81Å; L603-F651 HydrophobicContact CB-CE2 4.04Å; L603-Y655 HydrophobicContact CD1-CD2 4.15Å; L603-Y658 HydrophobicContact CD1-CD1 3.87Å; L603-Y658 HydrophobicContact CD1-CD2 4.14Å; L603-Y658 HydrophobicContact CD1-CE1 4.14Å; L603-Y658 HydrophobicContact CD1-CE2 4.41Å; L603-Y658 HydrophobicContact CD1-CG 3.87Å; L603-Y658 HydrophobicContact CD2-CD2 4.42Å; L603-Y658 HydrophobicContact CD2-CG 4.48Å; L603-Y678 HydrophobicContact CD2-CE1 3.61Å; L603-Y678 WeakPolarHBondContact CD2-OH 3.36Å
604	V	49.8	Very low	36.6	Very low	10 Å²	10	85.6 Å²	85.6	6%	0.061	52%	0.522	C	S	.	.	H	α-helix	trans	-76.5	-56.7	-177.1	175.5	0	0	0	0	111.7	L600 F601 G606 F640 S644 M647 F651	L600-V604 WeakPolarHBondContact O-CG2 3.43Å; L600-V604 PolarHBondContact O-N 3.09Å; F601-V604 PolarHBondContact O-N 2.97Å; V604-G606 PolarHBondContact O-N 2.89Å; V604-F640 HydrophobicContact CG2-CE2 4.47Å; V604-F640 HydrophobicContact CG2-CZ 4.11Å; V604-S644 WeakPolarHBondContact CG2-OG 3.38Å; V604-M647 HydrophobicContact CG1-CB 4.09Å; V604-M647 HydrophobicContact CG1-CE 3.38Å; V604-M647 HydrophobicContact CG1-CG 4.41Å; V604-M647 HydrophobicContact CG1-SD 3.59Å; V604-M647 VanDerWaalsContact CG1-SD 3.59Å; V604-F651 HydrophobicContact CG2-CD2 4.16Å; V604-F651 HydrophobicContact CG2-CE2 3.6Å; V604-F651 HydrophobicContact CG2-CZ 4.25Å
605	S	47	Very low	36.4	Very low	47 Å²	47	82.5 Å²	82.5	33%	0.329	53%	0.531	S	S	.	.	H	α-helix	trans	-74.4	-21.8	-171.8	64.9	0	0	0	0	115.1	F601 F607	F601-S605 VanDerWaalsContact O-CB 3.32Å; F601-S605 WeakPolarHBondContact O-CB 3.48Å; F601-S605 PolarHBondContact O-N 2.65Å; F601-S605 PolarHBondContact O-OG 2.86Å; S605-F607 PolarHBondContact O-N 2.87Å; S605-F607 PolarHBondContact OG-N 3.5Å; S605-F607 PolarHBondContact OG-O 2.82Å
606	G	40.4	Very low	36.2	Very low	29 Å²	29	84.6 Å²	84.6	30%	0.299	54%	0.54	S	S	.	.	S	Bend	trans	70.4	-18	-173.3	0	0	0	0	0	115.4	G602 V604 Q670	G602-G606 PolarHBondContact O-N 3.47Å; V604-G606 PolarHBondContact O-N 2.89Å; G606-Q670 PolarHBondContact O-NE2 3.44Å
607	F	30.4	Very low	35.9	Very low	144 Å²	144	90.4 Å²	90.4	63%	0.632	56%	0.563	S	S	*	*	S	Bend	trans	-104.3	115.2	176.4	-73.5	-87.9	0	0	0	110.6	S605 K609 L610	S605-F607 PolarHBondContact O-N 2.87Å; S605-F607 PolarHBondContact OG-N 3.5Å; S605-F607 PolarHBondContact OG-O 2.82Å; F607-K609 PolarHBondContact O-N 3.26Å; F607-L610 HydrophobicContact CB-CD1 4.13Å; F607-L610 HydrophobicContact CG-CD1 4.36Å
608	G	27.9	Very low	35.7	Very low	62 Å²	62	94 Å²	94	64%	0.639	58%	0.58	S	S	*	*	S	Bend	trans	-67.1	18.6	-179	0	0	0	0	0	116.6
609	K	25	Very low	35.3	Very low	197 Å²	197	97.6 Å²	97.6	86%	0.857	59%	0.593	S	S	*	*			trans	-175.2	108.3	168.6	-102.5	160.4	-174.9	180	0	108	F607	F607-K609 PolarHBondContact O-N 3.26Å
610	L	26.6	Very low	34.7	Very low	128 Å²	128	99.4 Å²	99.4	67%	0.67	61%	0.61	S	S	*	*			trans	-126.9	121	156.3	-133.5	88.1	0	0	0	107.3	F607	F607-L610 HydrophobicContact CB-CD1 4.13Å; F607-L610 HydrophobicContact CG-CD1 4.36Å
611	A	24.3	Very low	33.7	Very low	99 Å²	99	104.2 Å²	104.2	82%	0.818	65%	0.645	S	S	*	*			trans	-86.6	118.8	169.4	0	0	0	0	0	107.7
612	V	26.9	Very low	33	Very low	134 Å²	134	103.3 Å²	103.3	81%	0.812	66%	0.655	S	S	*	*			trans	-92.5	117.1	173.5	-177.7	0	0	0	0	107.4
613	S	24.8	Very low	31.9	Very low	116 Å²	116	107 Å²	107	81%	0.811	68%	0.679	S	S	*	*			trans	-118.5	142	171.2	57.7	0	0	0	0	108.6
614	A	27.6	Very low	30.9	Very low	100 Å²	100	113.8 Å²	113.8	83%	0.826	72%	0.715	S	S	*	*			trans	-145.9	119.8	178.5	0	0	0	0	0	110.3
615	G	27	Very low	29.8	Very low	78 Å²	78	117.4 Å²	117.4	80%	0.804	75%	0.754	S	S	*	*	S	Bend	trans	73.3	67.7	152.5	0	0	0	0	0	119.2
616	S	30.4	Very low	28.8	Very low	127 Å²	127	126.8 Å²	126.8	89%	0.888	78%	0.782	S	S	*	*			trans	-165.2	160.3	134.1	11.4	0	0	0	0	110.6
617	E	29.9	Very low	28.1	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	81%	0.811	S	S	*	*			trans	-82.7	158.4	-163.4	-63.5	166.2	138.7	0	0	114
618	E	31.2	Very low	27.9	Very low	180 Å²	180	131.4 Å²	131.4	84%	0.841	81%	0.813	S	S	*	*			trans	62.8	118.8	173.2	-55.7	-156.2	142.5	0	0	119.4	P620	E618-P620 WeakPolarHBondContact O-CD 3.31Å
619	P	28.8	Very low	27.7	Very low	130 Å²	130	135.5 Å²	135.5	84%	0.844	82%	0.82	S	S	*	*			trans	-97.3	114.1	178.9	34.8	-30.7	0	0	0	113.8	S621	P619-S621 PolarHBondContact O-N 2.91Å
620	P	33	Very low	27.7	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	82%	0.82	S	S	*	*			trans	-75.8	123.8	168.8	29.9	-32.9	0	0	0	111.2	E618 C622	E618-P620 WeakPolarHBondContact O-CD 3.31Å; P620-C622 PolarHBondContact O-N 3.16Å
621	S	28	Very low	27.7	Very low	123 Å²	123	136.3 Å²	136.3	86%	0.86	82%	0.824	S	S	*	*			trans	-72.4	111.7	179.2	58.9	0	0	0	0	112	P619	P619-S621 PolarHBondContact O-N 2.91Å
622	C	29.5	Very low	27.9	Very low	125 Å²	125	139.5 Å²	139.5	85%	0.845	82%	0.823	S	S	*	*			trans	-142.5	127.7	171.1	-143.4	0	0	0	0	112.3	P620	P620-C622 PolarHBondContact O-N 3.16Å
623	S	28.5	Very low	28	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	83%	0.827	S	S	*	*			trans	-74.5	168.3	170.1	47.9	0	0	0	0	111.4
624	N	32.6	Very low	28.6	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	83%	0.828	S	S	*	*	S	Bend	trans	76.2	53.6	174	-53.8	-28.3	0	0	0	118	R626	N624-R626 PolarHBondContact O-N 2.76Å
625	G	27.2	Very low	29.6	Very low	86 Å²	86	145 Å²	145	89%	0.887	81%	0.812	S	S	*	*				66.6	20.5	117	0	0	0	0	0	120.1
626	R	24.3	Very low	30.9	Very low	244 Å²	244	145.5 Å²	145.5	92%	0.921	80%	0.796	S	S	*	*			trans	-83.5	137.4	160.8	-78.4	-179	168.3	173	-3.2	109.7	N624	N624-R626 PolarHBondContact O-N 2.76Å
627	L	27	Very low	32	Very low	172 Å²	172	144.2 Å²	144.2	90%	0.901	78%	0.784	S	S	*	*			trans	-136.1	133.3	175.8	-156.1	144.8	0	0	0	109.7
628	S	25.3	Very low	33.6	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	77%	0.765	S	S	*	*			trans	-88	160.4	-163.5	-53.7	0	0	0	0	113.9
629	L	23.3	Very low	35.1	Very low	149 Å²	149	136.8 Å²	136.8	78%	0.78	75%	0.752	S	S	*	*			trans	-78	146.5	165.7	-79.8	157.1	0	0	0	110.6
630	F	26.5	Very low	36.8	Very low	195 Å²	195	133.2 Å²	133.2	86%	0.855	72%	0.724	S	S	*	*			trans	-121.4	151.7	162.9	-81	-94.9	0	0	0	109.2
631	L	25.2	Very low	38.4	Very low	146 Å²	146	129 Å²	129	76%	0.764	69%	0.694	S	S	*	*			trans	-94.4	128.6	-177.3	-69.2	164.9	0	0	0	108.7
632	E	28.1	Very low	40.4	Very low	167 Å²	167	128.4 Å²	128.4	78%	0.78	68%	0.678	S	S	*	*				75.4	84.5	93.5	-65.8	178	179	0	0	114.5
633	E	30.6	Very low	42.3	Very low	192 Å²	192	126.1 Å²	126.1	90%	0.897	66%	0.657	S	S	*	*			trans	-145.3	139.7	142.5	-106.8	171.5	-165.9	0	0	106.5
634	E	36.8	Very low	44.3	Very low	180 Å²	180	121.5 Å²	121.5	84%	0.841	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-90.5	116.2	175	-72.1	-164.2	130	0	0	109.7
635	I	49.1	Very low	46.2	Very low	94 Å²	94	117.2 Å²	117.2	48%	0.482	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-76.9	133.7	172	-56.5	175.1	0	0	0	108.4	E639 F640	I635-E639 HydrophobicContact CG2-CB 4.02Å; I635-E639 HydrophobicContact CG2-CG 3.95Å; I635-F640 HydrophobicContact CG2-CB 3.99Å
636	D	53.3	Low	48.3	Very low	88 Å²	88	117.2 Å²	117.2	47%	0.471	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-58.2	142.9	177.4	176.3	-85.8	0	0	0	111.8	D638 E639 F640	D636-D638 VanDerWaalsContact C-N 3.33Å; D636-D638 PolarHBondContact O-N 2.84Å; D636-D638 WeakPolarHBondContact OD1-CA 3.43Å; D636-D638 WeakPolarHBondContact OD1-CB 3.32Å; D636-D638 PolarHBondContact OD1-N 3.3Å; D636-E639 HydrophobicContact CB-CB 4.04Å; D636-E639 PolarHBondContact O-N 2.82Å; D636-E639 PolarHBondContact OD1-N 3.47Å; D636-F640 WeakPolarHBondContact O-CB 3.33Å; D636-F640 PolarHBondContact O-N 3Å
637	P	54.3	Low	50.6	Low	99 Å²	99	110.6 Å²	110.6	64%	0.643	57%	0.566	S	S	*	*	H	α-helix	trans	-58.4	-35.5	-178.1	-27.1	36.5	0	0	0	115.4	L641	P637-L641 VanDerWaalsContact O-CB 3.26Å; P637-L641 WeakPolarHBondContact O-CB 3.45Å; P637-L641 PolarHBondContact O-N 2.75Å; P637-L641 VanDerWaalsContact O-N 3.11Å
638	D	62.4	Low	52.7	Low	87 Å²	87	105 Å²	105	47%	0.465	53%	0.533	S	S	.	.	H	α-helix	trans	-77.8	-37.3	177	-81.3	-30	0	0	0	111	D636 L641 E642	D636-D638 VanDerWaalsContact C-N 3.33Å; D636-D638 PolarHBondContact O-N 2.84Å; D636-D638 WeakPolarHBondContact OD1-CA 3.43Å; D636-D638 WeakPolarHBondContact OD1-CB 3.32Å; D636-D638 PolarHBondContact OD1-N 3.3Å; D638-L641 PolarHBondContact O-N 3.41Å; D638-E642 PolarHBondContact O-N 3.05Å
639	E	64.1	Low	55	Low	124 Å²	124	106.4 Å²	106.4	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-61.5	-48.2	171.9	-177.4	175.2	-152.5	0	0	111.5	I635 D636 L641 E642 L643	I635-E639 HydrophobicContact CG2-CB 4.02Å; I635-E639 HydrophobicContact CG2-CG 3.95Å; D636-E639 HydrophobicContact CB-CB 4.04Å; D636-E639 PolarHBondContact O-N 2.82Å; D636-E639 PolarHBondContact OD1-N 3.47Å; E639-L641 PolarHBondContact O-N 3.05Å; E639-E642 PolarHBondContact O-N 2.77Å; E639-L643 VanDerWaalsContact O-CB 3.25Å; E639-L643 WeakPolarHBondContact O-CB 3.31Å; E639-L643 PolarHBondContact O-N 2.93Å
640	F	64.9	Low	57.4	Low	55 Å²	55	102.3 Å²	102.3	24%	0.241	52%	0.518	C	S	.	.	H	α-helix	trans	-58.3	-37.9	174.7	174.5	-97.1	0	0	0	111.5	L600 V604 I635 D636 S644 F651	L600-F640 HydrophobicContact CB-CZ 4.27Å; L600-F640 HydrophobicContact CD2-CE1 3.84Å; L600-F640 HydrophobicContact CD2-CZ 3.72Å; L600-F640 HydrophobicContact CG-CE1 4.44Å; L600-F640 HydrophobicContact CG-CZ 4.09Å; V604-F640 HydrophobicContact CG2-CE2 4.47Å; V604-F640 HydrophobicContact CG2-CZ 4.11Å; I635-F640 HydrophobicContact CG2-CB 3.99Å; D636-F640 WeakPolarHBondContact O-CB 3.33Å; D636-F640 PolarHBondContact O-N 3Å; F640-S644 WeakPolarHBondContact CZ-OG 3.43Å; F640-S644 WeakPolarHBondContact O-CB 3.19Å; F640-S644 PolarHBondContact O-N 3.35Å; F640-S644 PolarHBondContact O-OG 3.46Å; F640-F651 HydrophobicContact CE1-CZ 4.16Å; F640-F651 HydrophobicContact CZ-CZ 4.45Å
641	L	65.6	Low	59.8	Low	35 Å²	35	93.2 Å²	93.2	18%	0.183	48%	0.478	C	S	.	.	H	α-helix	trans	-69.6	-43	179.2	178.9	60.2	0	0	0	112.3	P637 D638 E639 S644 K645 F651	P637-L641 VanDerWaalsContact O-CB 3.26Å; P637-L641 WeakPolarHBondContact O-CB 3.45Å; P637-L641 PolarHBondContact O-N 2.75Å; P637-L641 VanDerWaalsContact O-N 3.11Å; D638-L641 PolarHBondContact O-N 3.41Å; E639-L641 PolarHBondContact O-N 3.05Å; L641-S644 PolarHBondContact O-N 3.34Å; L641-K645 HydrophobicContact CG-CD 4.27Å; L641-K645 WeakPolarHBondContact O-CB 3.38Å; L641-K645 WeakPolarHBondContact O-CD 3.21Å; L641-K645 VanDerWaalsContact O-CG 3.23Å; L641-K645 WeakPolarHBondContact O-CG 3.46Å; L641-K645 PolarHBondContact O-N 3.36Å; L641-F651 HydrophobicContact CD1-CD1 4.17Å; L641-F651 HydrophobicContact CD1-CE1 4.13Å
642	E	70.1	Confident	62.1	Low	112 Å²	112	88.3 Å²	88.3	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-69.2	-40.2	174.9	-70.3	-54.2	141.9	0	0	112.6	D638 E639 S644 K645 S646	D638-E642 PolarHBondContact O-N 3.05Å; E639-E642 PolarHBondContact O-N 2.77Å; E642-S644 VanDerWaalsContact C-N 3.28Å; E642-S644 PolarHBondContact O-N 2.91Å; E642-K645 PolarHBondContact O-N 3.2Å; E642-K645 WeakPolarHBondContact OE1-CD 3.39Å; E642-K645 IonicContact OE1-NZ 3.5Å; E642-K645 PolarHBondContact OE1-NZ 3.28Å; E642-K645 WeakPolarHBondContact OE2-CD 3.29Å; E642-S646 WeakPolarHBondContact O-CB 3.44Å; E642-S646 PolarHBondContact O-N 3.38Å
643	L	69.5	Low	64.4	Low	77 Å²	77	82 Å²	82	40%	0.403	43%	0.431	S	S	.	.	H	α-helix	trans	-59.6	-40.2	171.9	-176	65.4	0	0	0	111.5	E639 S646 M647	E639-L643 VanDerWaalsContact O-CB 3.25Å; E639-L643 WeakPolarHBondContact O-CB 3.31Å; E639-L643 PolarHBondContact O-N 2.93Å; L643-S646 PolarHBondContact O-N 2.81Å; L643-S646 PolarHBondContact O-OG 3.16Å; L643-M647 HydrophobicContact CD1-CE 3.95Å; L643-M647 HydrophobicContact CD2-CE 4.14Å; L643-M647 HydrophobicContact CG-CE 3.64Å; L643-M647 PolarHBondContact O-N 3.05Å; L643-M647 VanDerWaalsContact O-N 3.16Å
644	S	70.4	Confident	66.7	Low	0 Å²	0	73 Å²	73	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-71.3	-37.1	176.8	-61.9	0	0	0	0	112.9	V604 F640 L641 E642 R648 F651	V604-S644 WeakPolarHBondContact CG2-OG 3.38Å; F640-S644 WeakPolarHBondContact CZ-OG 3.43Å; F640-S644 WeakPolarHBondContact O-CB 3.19Å; F640-S644 PolarHBondContact O-N 3.35Å; F640-S644 PolarHBondContact O-OG 3.46Å; L641-S644 PolarHBondContact O-N 3.34Å; E642-S644 VanDerWaalsContact C-N 3.28Å; E642-S644 PolarHBondContact O-N 2.91Å; S644-R648 PolarHBondContact O-N 3.12Å; S644-F651 VanDerWaalsContact CB-CE1 3.42Å; S644-F651 WeakPolarHBondContact O-CB 3.48Å
645	K	72.4	Confident	68.6	Low	63 Å²	63	68 Å²	68	27%	0.274	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-39.6	172.7	-74.9	160.4	179.9	160.6	0	111.8	L641 E642 R648 P649	L641-K645 HydrophobicContact CG-CD 4.27Å; L641-K645 WeakPolarHBondContact O-CB 3.38Å; L641-K645 WeakPolarHBondContact O-CD 3.21Å; L641-K645 VanDerWaalsContact O-CG 3.23Å; L641-K645 WeakPolarHBondContact O-CG 3.46Å; L641-K645 PolarHBondContact O-N 3.36Å; E642-K645 PolarHBondContact O-N 3.2Å; E642-K645 WeakPolarHBondContact OE1-CD 3.39Å; E642-K645 IonicContact OE1-NZ 3.5Å; E642-K645 PolarHBondContact OE1-NZ 3.28Å; E642-K645 WeakPolarHBondContact OE2-CD 3.29Å; K645-R648 CarbonylContact O-C 3.37Å; K645-R648 PolarHBondContact O-N 2.85Å; K645-P649 WeakPolarHBondContact O-CA 3.39Å
646	S	71.9	Confident	69.8	Low	86 Å²	86	65.2 Å²	65.2	60%	0.601	35%	0.354	S	S	*	.	H	α-helix	trans	-70.3	-42.5	-178.5	73.7	0	0	0	0	112.3	E642 L643	E642-S646 WeakPolarHBondContact O-CB 3.44Å; E642-S646 PolarHBondContact O-N 3.38Å; L643-S646 PolarHBondContact O-N 2.81Å; L643-S646 PolarHBondContact O-OG 3.16Å
647	M	71.6	Confident	71	Confident	105 Å²	105	61.1 Å²	61.1	52%	0.517	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-33.7	172.6	-77.7	-167.9	-99.9	0	0	113	V604 L643	V604-M647 HydrophobicContact CG1-CB 4.09Å; V604-M647 HydrophobicContact CG1-CE 3.38Å; V604-M647 HydrophobicContact CG1-CG 4.41Å; V604-M647 HydrophobicContact CG1-SD 3.59Å; V604-M647 VanDerWaalsContact CG1-SD 3.59Å; L643-M647 HydrophobicContact CD1-CE 3.95Å; L643-M647 HydrophobicContact CD2-CE 4.14Å; L643-M647 HydrophobicContact CG-CE 3.64Å; L643-M647 PolarHBondContact O-N 3.05Å; L643-M647 VanDerWaalsContact O-N 3.16Å
648	R	71.5	Confident	72.3	Confident	55 Å²	55	57.4 Å²	57.4	21%	0.208	31%	0.305	C	S	.	.			trans	-142.7	97.6	-176.4	-166.2	164.4	-170.7	-177.1	-0.3	111	L603 S644 K645 N650 F651 L654	L603-R648 VanDerWaalsContact O-CD 3.28Å; L603-R648 WeakPolarHBondContact O-CD 3.3Å; L603-R648 PolarHBondContact O-NH1 2.81Å; S644-R648 PolarHBondContact O-N 3.12Å; K645-R648 CarbonylContact O-C 3.37Å; K645-R648 PolarHBondContact O-N 2.85Å; R648-N650 WeakPolarHBondContact CG-OD1 3.11Å; R648-N650 PolarHBondContact O-N 3.18Å; R648-F651 HydrophobicContact CB-CB 4.28Å; R648-F651 WeakPolarHBondContact O-CA 3.31Å; R648-F651 WeakPolarHBondContact O-CB 3.26Å; R648-F651 PolarHBondContact O-N 2.83Å; R648-L654 HydrophobicContact CG-CD1 4.22Å
649	P	73.8	Confident	72.8	Confident	126 Å²	126	57 Å²	57	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.7	-173.4	-30.2	36.9	0	0	0	116.7	K645	K645-P649 WeakPolarHBondContact O-CA 3.39Å
650	N	73.3	Confident	73.4	Confident	63 Å²	63	53.2 Å²	53.2	34%	0.337	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	16.7	171.4	68.6	-23.7	0	0	0	113.8	R648 S652 S653 L654	R648-N650 WeakPolarHBondContact CG-OD1 3.11Å; R648-N650 PolarHBondContact O-N 3.18Å; N650-S652 PolarHBondContact O-N 2.72Å; N650-S653 VanDerWaalsContact O-CB 3.31Å; N650-S653 WeakPolarHBondContact O-CB 3.41Å; N650-S653 PolarHBondContact O-N 3.3Å; N650-S653 VanDerWaalsContact O-N 3.1Å; N650-L654 PolarHBondContact O-N 3.49Å; N650-L654 VanDerWaalsContact OD1-CD1 3.32Å; N650-L654 WeakPolarHBondContact OD1-CD1 3.43Å
651	F	77.9	Confident	74.1	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-50.5	-176.8	178.4	-99.3	0	0	0	112.7	L603 V604 F640 L641 S644 R648 S653 L654 Y655	L603-F651 HydrophobicContact CB-CE2 4.04Å; V604-F651 HydrophobicContact CG2-CD2 4.16Å; V604-F651 HydrophobicContact CG2-CE2 3.6Å; V604-F651 HydrophobicContact CG2-CZ 4.25Å; F640-F651 HydrophobicContact CE1-CZ 4.16Å; F640-F651 HydrophobicContact CZ-CZ 4.45Å; L641-F651 HydrophobicContact CD1-CD1 4.17Å; L641-F651 HydrophobicContact CD1-CE1 4.13Å; S644-F651 VanDerWaalsContact CB-CE1 3.42Å; S644-F651 WeakPolarHBondContact O-CB 3.48Å; R648-F651 HydrophobicContact CB-CB 4.28Å; R648-F651 WeakPolarHBondContact O-CA 3.31Å; R648-F651 WeakPolarHBondContact O-CB 3.26Å; R648-F651 PolarHBondContact O-N 2.83Å; F651-S653 PolarHBondContact O-N 3.2Å; F651-L654 CarbonylContact O-C 3.57Å; F651-L654 WeakPolarHBondContact O-CB 3.35Å; F651-L654 PolarHBondContact O-N 2.89Å; F651-Y655 HydrophobicContact CE1-CG 4.25Å; F651-Y655 HydrophobicContact CZ-CD2 4.07Å; F651-Y655 HydrophobicContact CZ-CG 4.19Å; F651-Y655 VanDerWaalsContact O-CB 3.31Å; F651-Y655 WeakPolarHBondContact O-CB 3.39Å; F651-Y655 PolarHBondContact O-N 3.25Å
652	S	71.9	Confident	74.5	Confident	43 Å²	43	54.5 Å²	54.5	30%	0.301	28%	0.283	S	S	.	.	H	α-helix	trans	-58.8	-34.4	179.3	-50	0	0	0	0	112.7	N650 A656	N650-S652 PolarHBondContact O-N 2.72Å; S652-A656 VanDerWaalsContact O-CB 3.23Å; S652-A656 WeakPolarHBondContact O-CB 3.15Å; S652-A656 PolarHBondContact O-N 3.25Å
653	S	76.4	Confident	74	Confident	36 Å²	36	52.8 Å²	52.8	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-46.1	173.6	-72.3	0	0	0	0	112.2	N650 F651 V657 I732	N650-S653 VanDerWaalsContact O-CB 3.31Å; N650-S653 WeakPolarHBondContact O-CB 3.41Å; N650-S653 PolarHBondContact O-N 3.3Å; N650-S653 VanDerWaalsContact O-N 3.1Å; F651-S653 PolarHBondContact O-N 3.2Å; S653-V657 WeakPolarHBondContact O-CG2 3.47Å; S653-V657 PolarHBondContact O-N 3.25Å; S653-I732 VanDerWaalsContact CB-CD1 3.46Å; S653-I732 VanDerWaalsContact O-CD1 3.27Å; S653-I732 WeakPolarHBondContact O-CD1 3.48Å
654	L	78.9	Confident	74.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-48.3	177	-80.6	159.2	0	0	0	112	R648 N650 F651 V657 Y658 D677 Y678 L696	R648-L654 HydrophobicContact CG-CD1 4.22Å; N650-L654 PolarHBondContact O-N 3.49Å; N650-L654 VanDerWaalsContact OD1-CD1 3.32Å; N650-L654 WeakPolarHBondContact OD1-CD1 3.43Å; F651-L654 CarbonylContact O-C 3.57Å; F651-L654 WeakPolarHBondContact O-CB 3.35Å; F651-L654 PolarHBondContact O-N 2.89Å; L654-V657 PolarHBondContact O-N 2.88Å; L654-Y658 WeakPolarHBondContact O-CB 3.47Å; L654-Y658 PolarHBondContact O-N 2.88Å; L654-D677 HydrophobicContact CD2-CB 4.19Å; L654-Y678 WeakPolarHBondContact CB-OH 3.26Å; L654-Y678 HydrophobicContact CD2-CE2 4.18Å; L654-Y678 PolarHBondContact O-OH 3.26Å; L654-L696 HydrophobicContact CB-CD2 4.5Å; L654-L696 HydrophobicContact CD2-CD1 4.39Å; L654-L696 HydrophobicContact CD2-CD2 3.86Å; L654-L696 HydrophobicContact CG-CD2 4.05Å
655	Y	77.4	Confident	74.1	Confident	77 Å²	77	59.1 Å²	59.1	30%	0.302	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-42.6	-179.4	-173.3	-106.8	0	0	0	111.7	L600 L603 F651 V657 Y658 F659	L600-Y655 HydrophobicContact CD1-CE2 4.13Å; L603-Y655 HydrophobicContact CD1-CD2 4.15Å; F651-Y655 HydrophobicContact CE1-CG 4.25Å; F651-Y655 HydrophobicContact CZ-CD2 4.07Å; F651-Y655 HydrophobicContact CZ-CG 4.19Å; F651-Y655 VanDerWaalsContact O-CB 3.31Å; F651-Y655 WeakPolarHBondContact O-CB 3.39Å; F651-Y655 PolarHBondContact O-N 3.25Å; Y655-V657 VanDerWaalsContact C-N 3.3Å; Y655-V657 PolarHBondContact O-N 3.1Å; Y655-Y658 HydrophobicContact CD2-CD1 4.36Å; Y655-Y658 HydrophobicContact CE2-CD1 4.35Å; Y655-Y658 PolarHBondContact O-N 2.97Å; Y655-F659 VanDerWaalsContact O-CB 3.26Å; Y655-F659 WeakPolarHBondContact O-CB 3.15Å; Y655-F659 PolarHBondContact O-N 3.44Å
656	A	73.6	Confident	74.5	Confident	35 Å²	35	58.8 Å²	58.8	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-39.6	174.7	0	0	0	0	0	112.7	S652 H660 V977	S652-A656 VanDerWaalsContact O-CB 3.23Å; S652-A656 WeakPolarHBondContact O-CB 3.15Å; S652-A656 PolarHBondContact O-N 3.25Å; A656-H660 WeakPolarHBondContact O-CB 3.31Å; A656-H660 PolarHBondContact O-N 3.12Å; A656-V977 HydrophobicContact CB-CG1 4.41Å
657	V	79.4	Confident	74.9	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-76.9	-38.6	178.4	177.7	0	0	0	0	112.2	S653 L654 Y655 F659 H660 F661 Y678 V694 L696 Y730 I732	S653-V657 WeakPolarHBondContact O-CG2 3.47Å; S653-V657 PolarHBondContact O-N 3.25Å; L654-V657 PolarHBondContact O-N 2.88Å; Y655-V657 VanDerWaalsContact C-N 3.3Å; Y655-V657 PolarHBondContact O-N 3.1Å; V657-F659 VanDerWaalsContact C-N 3.35Å; V657-H660 PolarHBondContact O-N 2.96Å; V657-F661 HydrophobicContact CG1-CD2 3.72Å; V657-F661 HydrophobicContact CG1-CE2 3.49Å; V657-F661 VanDerWaalsContact CG1-CE2 3.49Å; V657-F661 WeakPolarHBondContact O-CD2 3.38Å; V657-F661 PolarHBondContact O-N 3.4Å; V657-F661 VanDerWaalsContact O-N 3.1Å; V657-Y678 HydrophobicContact CB-CE2 4.26Å; V657-Y678 HydrophobicContact CG1-CD2 4.23Å; V657-Y678 HydrophobicContact CG1-CE2 4.15Å; V657-V694 HydrophobicContact CG1-CG1 4.4Å; V657-L696 HydrophobicContact CB-CD1 4.18Å; V657-L696 HydrophobicContact CB-CD2 4.15Å; V657-L696 HydrophobicContact CB-CG 4.31Å; V657-L696 HydrophobicContact CG1-CD1 3.89Å; V657-L696 HydrophobicContact CG1-CG 4.38Å; V657-L696 HydrophobicContact CG2-CD1 4.45Å; V657-L696 HydrophobicContact CG2-CD2 3.94Å; V657-L696 HydrophobicContact CG2-CG 4.08Å; V657-Y730 HydrophobicContact CB-CD1 4.49Å; V657-Y730 HydrophobicContact CG1-CD1 4.2Å; V657-Y730 HydrophobicContact CG1-CD2 4.35Å; V657-Y730 HydrophobicContact CG1-CG 4.06Å; V657-Y730 HydrophobicContact CG2-CD1 3.44Å; V657-Y730 VanDerWaalsContact CG2-CD1 3.44Å; V657-Y730 HydrophobicContact CG2-CE1 3.63Å; V657-Y730 HydrophobicContact CG2-CG 4.14Å; V657-I732 HydrophobicContact CG2-CD1 3.6Å; V657-I732 HydrophobicContact CG2-CG1 3.82Å
658	Y	81.3	Confident	75.4	Confident	21 Å²	21	52.6 Å²	52.6	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-55.5	-51.2	169.2	170.9	-97.1	0	0	0	110.4	L603 L654 Y655 H660 F661 R662 V668	L603-Y658 HydrophobicContact CD1-CD1 3.87Å; L603-Y658 HydrophobicContact CD1-CD2 4.14Å; L603-Y658 HydrophobicContact CD1-CE1 4.14Å; L603-Y658 HydrophobicContact CD1-CE2 4.41Å; L603-Y658 HydrophobicContact CD1-CG 3.87Å; L603-Y658 HydrophobicContact CD2-CD2 4.42Å; L603-Y658 HydrophobicContact CD2-CG 4.48Å; L654-Y658 WeakPolarHBondContact O-CB 3.47Å; L654-Y658 PolarHBondContact O-N 2.88Å; Y655-Y658 HydrophobicContact CD2-CD1 4.36Å; Y655-Y658 HydrophobicContact CE2-CD1 4.35Å; Y655-Y658 PolarHBondContact O-N 2.97Å; Y658-H660 PolarHBondContact O-N 3.46Å; Y658-F661 PolarHBondContact O-N 2.89Å; Y658-R662 HydrophobicContact CD1-CG 4.12Å; Y658-R662 HydrophobicContact CD2-CG 4.27Å; Y658-R662 HydrophobicContact CE1-CG 3.82Å; Y658-R662 HydrophobicContact CE2-CG 3.95Å; Y658-R662 HydrophobicContact CG-CG 4.34Å; Y658-R662 WeakPolarHBondContact O-CB 3.23Å; Y658-R662 VanDerWaalsContact O-CG 3.27Å; Y658-R662 WeakPolarHBondContact O-CG 3.48Å; Y658-R662 PolarHBondContact O-N 3.47Å; Y658-V668 HydrophobicContact CD2-CB 3.7Å; Y658-V668 HydrophobicContact CD2-CG1 3.73Å; Y658-V668 HydrophobicContact CD2-CG2 4.24Å; Y658-V668 HydrophobicContact CE2-CB 3.93Å; Y658-V668 HydrophobicContact CE2-CG1 4.38Å
659	F	73.6	Confident	75.9	Confident	77 Å²	77	51.5 Å²	51.5	34%	0.338	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-41.5	178.7	-168.9	-94.3	0	0	0	112.4	Y655 V657 F661 R662 S663 L974	Y655-F659 VanDerWaalsContact O-CB 3.26Å; Y655-F659 WeakPolarHBondContact O-CB 3.15Å; Y655-F659 PolarHBondContact O-N 3.44Å; V657-F659 VanDerWaalsContact C-N 3.35Å; F659-F661 VanDerWaalsContact C-N 3.33Å; F659-F661 PolarHBondContact O-N 3.41Å; F659-R662 PolarHBondContact O-N 3.03Å; F659-S663 WeakPolarHBondContact O-CB 3.03Å; F659-S663 PolarHBondContact O-N 3.4Å; F659-S663 PolarHBondContact O-OG 3.14Å; F659-L974 HydrophobicContact CD1-CD2 4.19Å; F659-L974 HydrophobicContact CE1-CD1 4.32Å; F659-L974 HydrophobicContact CE1-CD2 4.13Å; F659-L974 HydrophobicContact CE1-CG 4.24Å
660	H	76.1	Confident	76.2	Confident	46 Å²	46	48.7 Å²	48.7	21%	0.213	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-40.6	175.2	-177.1	91	0	0	0	113.1	A656 V657 Y658 S663 K664 Y730	A656-H660 WeakPolarHBondContact O-CB 3.31Å; A656-H660 PolarHBondContact O-N 3.12Å; V657-H660 PolarHBondContact O-N 2.96Å; Y658-H660 PolarHBondContact O-N 3.46Å; H660-S663 PolarHBondContact O-OG 3.09Å; H660-S663 VanDerWaalsContact O-OG 3.12Å; H660-K664 PolarHBondContact CE1-NZ 3.23Å; H660-K664 WeakPolarHBondContact NE2-CE 3.41Å; H660-K664 PolarHBondContact NE2-NZ 3.14Å; H660-K664 WeakPolarHBondContact O-CG 3.5Å; H660-K664 PolarHBondContact O-N 2.89Å; H660-Y730 AromaticContact CD2-CE2 3.9Å; H660-Y730 PolarHBondContact CE1-OH 2.89Å; H660-Y730 PolarHBondContact ND1-OH 3.23Å
661	F	78.6	Confident	76.3	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-78.3	-36.5	177	-73	-58.8	0	0	0	112.2	V657 Y658 F659 K664 N665 W666 V668 L680 V694 Y730	V657-F661 HydrophobicContact CG1-CD2 3.72Å; V657-F661 HydrophobicContact CG1-CE2 3.49Å; V657-F661 VanDerWaalsContact CG1-CE2 3.49Å; V657-F661 WeakPolarHBondContact O-CD2 3.38Å; V657-F661 PolarHBondContact O-N 3.4Å; V657-F661 VanDerWaalsContact O-N 3.1Å; Y658-F661 PolarHBondContact O-N 2.89Å; F659-F661 VanDerWaalsContact C-N 3.33Å; F659-F661 PolarHBondContact O-N 3.41Å; F661-K664 CarbonylContact O-C 3.56Å; F661-K664 PolarHBondContact O-N 2.89Å; F661-N665 PolarHBondContact O-N 3.36Å; F661-W666 HydrophobicContact CB-CB 4.15Å; F661-W666 HydrophobicContact CD1-CG 4.48Å; F661-W666 WeakPolarHBondContact O-CB 3.44Å; F661-W666 PolarHBondContact O-N 3.03Å; F661-V668 HydrophobicContact CB-CG2 3.51Å; F661-L680 HydrophobicContact CB-CD2 3.93Å; F661-L680 HydrophobicContact CD1-CD1 3.42Å; F661-L680 VanDerWaalsContact CD1-CD1 3.42Å; F661-L680 HydrophobicContact CD1-CD2 4.3Å; F661-L680 HydrophobicContact CD2-CD1 4.05Å; F661-L680 HydrophobicContact CD2-CD2 3.92Å; F661-L680 HydrophobicContact CE1-CD1 3.43Å; F661-L680 VanDerWaalsContact CE1-CD1 3.43Å; F661-L680 HydrophobicContact CE2-CD1 4.06Å; F661-L680 HydrophobicContact CG-CD1 3.76Å; F661-L680 HydrophobicContact CG-CD2 3.79Å; F661-L680 HydrophobicContact CG-CG 4.46Å; F661-L680 HydrophobicContact CZ-CD1 3.76Å; F661-V694 HydrophobicContact CE2-CG1 3.96Å; F661-V694 HydrophobicContact CE2-CG2 3.98Å; F661-V694 HydrophobicContact CZ-CG2 4.25Å; F661-Y730 AromaticContact CE2-CD2 3.99Å; F661-Y730 HydrophobicContact CE2-CD2 3.99Å; F661-Y730 HydrophobicContact CE2-CE2 4.34Å; F661-Y730 AromaticContact CZ-CD2 3.78Å; F661-Y730 HydrophobicContact CZ-CD2 3.78Å; F661-Y730 HydrophobicContact CZ-CE2 4.05Å
662	R	75	Confident	76.2	Confident	98 Å²	98	49 Å²	49	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-40.7	174.3	-71.3	-61.3	-58.3	114.4	6.9	112.9	Y658 F659 K664 N665 W666 V668	Y658-R662 HydrophobicContact CD1-CG 4.12Å; Y658-R662 HydrophobicContact CD2-CG 4.27Å; Y658-R662 HydrophobicContact CE1-CG 3.82Å; Y658-R662 HydrophobicContact CE2-CG 3.95Å; Y658-R662 HydrophobicContact CG-CG 4.34Å; Y658-R662 WeakPolarHBondContact O-CB 3.23Å; Y658-R662 VanDerWaalsContact O-CG 3.27Å; Y658-R662 WeakPolarHBondContact O-CG 3.48Å; Y658-R662 PolarHBondContact O-N 3.47Å; F659-R662 PolarHBondContact O-N 3.03Å; R662-K664 VanDerWaalsContact C-N 3.28Å; R662-K664 PolarHBondContact O-N 3.27Å; R662-N665 WeakPolarHBondContact O-CA 3.41Å; R662-N665 PolarHBondContact O-N 2.93Å; R662-W666 WeakPolarHBondContact CD-O 3.47Å; R662-W666 PolarHBondContact NH1-O 2.9Å; R662-V668 HydrophobicContact CG-CG2 3.99Å
663	S	60.3	Low	76	Confident	75 Å²	75	54 Å²	54	52%	0.524	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-27.9	176	65.4	0	0	0	0	112.5	F659 H660 N665	F659-S663 WeakPolarHBondContact O-CB 3.03Å; F659-S663 PolarHBondContact O-N 3.4Å; F659-S663 PolarHBondContact O-OG 3.14Å; H660-S663 PolarHBondContact O-OG 3.09Å; H660-S663 VanDerWaalsContact O-OG 3.12Å; S663-N665 PolarHBondContact O-N 2.89Å
664	K	70.4	Confident	75.8	Confident	79 Å²	79	56.3 Å²	56.3	34%	0.343	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	19.2	166.6	-69.6	178.9	172.3	-178.6	0	113.8	H660 F661 R662 W666 H825	H660-K664 PolarHBondContact CE1-NZ 3.23Å; H660-K664 WeakPolarHBondContact NE2-CE 3.41Å; H660-K664 PolarHBondContact NE2-NZ 3.14Å; H660-K664 WeakPolarHBondContact O-CG 3.5Å; H660-K664 PolarHBondContact O-N 2.89Å; F661-K664 CarbonylContact O-C 3.56Å; F661-K664 PolarHBondContact O-N 2.89Å; R662-K664 VanDerWaalsContact C-N 3.28Å; R662-K664 PolarHBondContact O-N 3.27Å; K664-W666 PolarHBondContact O-N 2.9Å; K664-W666 VanDerWaalsContact O-N 3.1Å; K664-H825 WeakPolarHBondContact CE-CE1 3.35Å; K664-H825 WeakPolarHBondContact CE-NE2 3.15Å; K664-H825 PolarHBondContact NZ-CE1 3.01Å; K664-H825 PolarHBondContact NZ-NE2 3.43Å
665	N	70.5	Confident	75.6	Confident	131 Å²	131	58.3 Å²	58.3	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	6.3	179.6	-69.5	-60.1	0	0	0	117.4	F661 R662 S663	F661-N665 PolarHBondContact O-N 3.36Å; R662-N665 WeakPolarHBondContact O-CA 3.41Å; R662-N665 PolarHBondContact O-N 2.93Å; S663-N665 PolarHBondContact O-N 2.89Å
666	W	81.4	Confident	75.7	Confident	57 Å²	57	55 Å²	55	22%	0.216	29%	0.292	C	S	.	.			trans	-65.8	144.3	174.5	-68.6	86.5	0	0	0	111.4	F661 R662 K664 L680 P682 Y692	F661-W666 HydrophobicContact CB-CB 4.15Å; F661-W666 HydrophobicContact CD1-CG 4.48Å; F661-W666 WeakPolarHBondContact O-CB 3.44Å; F661-W666 PolarHBondContact O-N 3.03Å; R662-W666 WeakPolarHBondContact CD-O 3.47Å; R662-W666 PolarHBondContact NH1-O 2.9Å; K664-W666 PolarHBondContact O-N 2.9Å; K664-W666 VanDerWaalsContact O-N 3.1Å; W666-L680 HydrophobicContact CB-CD2 4.5Å; W666-L680 HydrophobicContact CD2-CB 4.18Å; W666-L680 HydrophobicContact CD2-CD1 4.44Å; W666-L680 HydrophobicContact CE3-CB 3.64Å; W666-L680 HydrophobicContact CZ3-CB 4.28Å; W666-P682 HydrophobicContact CE3-CB 4.42Å; W666-P682 HydrophobicContact CH2-CB 4.13Å; W666-P682 HydrophobicContact CZ3-CB 3.76Å; W666-P682 HydrophobicContact CZ3-CG 4.33Å; W666-Y692 AromaticContact CH2-CD2 3.81Å; W666-Y692 HydrophobicContact CH2-CD2 3.81Å; W666-Y692 AromaticContact CH2-CE2 3.45Å; W666-Y692 HydrophobicContact CH2-CE2 3.45Å; W666-Y692 VanDerWaalsContact CH2-CE2 3.45Å; W666-Y692 HydrophobicContact CZ2-CD2 4.22Å; W666-Y692 AromaticContact CZ2-CE2 3.73Å; W666-Y692 HydrophobicContact CZ2-CE2 3.73Å; W666-Y692 AromaticContact CZ3-CD2 3.98Å; W666-Y692 HydrophobicContact CZ3-CD2 3.98Å; W666-Y692 HydrophobicContact CZ3-CE2 4.09Å
667	I	79.7	Confident	76.2	Confident	52 Å²	52	55.2 Å²	55.2	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.3	163.7	-61.6	-174.5	0	0	0	107.3	Y681 L684 P685	I667-Y681 PolarHBondContact N-O 3.42Å; I667-Y681 PolarHBondContact O-N 3.18Å; I667-L684 HydrophobicContact CD1-CD2 3.96Å; I667-L684 HydrophobicContact CD1-CG 4.42Å; I667-P685 HydrophobicContact CG2-CG 4.34Å
668	V	83	Confident	76.5	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.9	-177.3	-169.4	0	0	0	0	108.3	Y658 F661 R662 Y678 L680	Y658-V668 HydrophobicContact CD2-CB 3.7Å; Y658-V668 HydrophobicContact CD2-CG1 3.73Å; Y658-V668 HydrophobicContact CD2-CG2 4.24Å; Y658-V668 HydrophobicContact CE2-CB 3.93Å; Y658-V668 HydrophobicContact CE2-CG1 4.38Å; F661-V668 HydrophobicContact CB-CG2 3.51Å; R662-V668 HydrophobicContact CG-CG2 3.99Å; V668-Y678 HydrophobicContact CG1-CD1 3.61Å; V668-Y678 HydrophobicContact CG1-CD2 4.14Å; V668-Y678 HydrophobicContact CG1-CE1 4.23Å; V668-Y678 HydrophobicContact CG1-CG 3.57Å; V668-L680 HydrophobicContact CB-CD2 4.27Å; V668-L680 HydrophobicContact CG1-CD2 3.99Å; V668-L680 HydrophobicContact CG2-CD2 3.9Å
669	A	81.2	Confident	76.8	Confident	32 Å²	32	54.6 Å²	54.6	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	158.3	174.3	0	0	0	0	0	110.9	G671 Y678 V679 Y681	A669-G671 PolarHBondContact O-N 3.17Å; A669-Y678 CarbonylContact O-C 3.58Å; A669-Y678 VanDerWaalsContact O-CA 3.28Å; A669-Y678 WeakPolarHBondContact O-CA 3.37Å; A669-V679 PolarHBondContact N-O 3.21Å; A669-V679 PolarHBondContact O-N 2.99Å; A669-Y681 HydrophobicContact CB-CD2 4.33Å; A669-Y681 HydrophobicContact CB-CE2 3.85Å
670	Q	80	Confident	77.4	Confident	66 Å²	66	51 Å²	51	31%	0.308	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.7	174.6	-171.2	-179.8	6.5	0	0	110.7	G606 T672	G606-Q670 PolarHBondContact O-NE2 3.44Å; Q670-T672 HydrophobicContact CG-CG2 4.04Å; Q670-T672 WeakPolarHBondContact CG-OG1 3.14Å; Q670-T672 PolarHBondContact NE2-OG1 3.06Å
671	G	76.2	Confident	77.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.			trans	-95.3	1.4	-174.1	0	0	0	0	0	116.3	A669 N673 Y674 G675 V676 D677	A669-G671 PolarHBondContact O-N 3.17Å; G671-N673 VanDerWaalsContact C-N 3.26Å; G671-N673 PolarHBondContact O-N 3.49Å; G671-Y674 CarbonylContact O-C 3.56Å; G671-Y674 WeakPolarHBondContact O-CA 3.44Å; G671-Y674 PolarHBondContact O-N 3.22Å; G671-G675 PolarHBondContact O-N 3.34Å; G671-V676 CarbonylContact C-O 3.43Å; G671-V676 VanDerWaalsContact CA-O 3.27Å; G671-V676 WeakPolarHBondContact CA-O 3.31Å; G671-V676 PolarHBondContact O-N 2.85Å; G671-V676 VanDerWaalsContact O-O 3.07Å; G671-D677 PolarHBondContact N-O 3.5Å
672	T	74.7	Confident	77.9	Confident	72 Å²	72	52.8 Å²	52.8	44%	0.442	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-56.5	-37.5	-171.5	44.1	0	0	0	0	113.1	Q670 Y674 G675 V676	Q670-T672 HydrophobicContact CG-CG2 4.04Å; Q670-T672 WeakPolarHBondContact CG-OG1 3.14Å; Q670-T672 PolarHBondContact NE2-OG1 3.06Å; T672-Y674 PolarHBondContact O-N 2.98Å; T672-G675 PolarHBondContact O-N 2.8Å; T672-V676 PolarHBondContact N-O 2.65Å; T672-V676 VanDerWaalsContact N-O 3.17Å
673	N	68.8	Low	78	Confident	150 Å²	150	51.2 Å²	51.2	80%	0.802	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.6	-13.2	175.2	-65.1	-3.1	0	0	0	114.1	G671	G671-N673 VanDerWaalsContact C-N 3.26Å; G671-N673 PolarHBondContact O-N 3.49Å
674	Y	71.9	Confident	78.5	Confident	83 Å²	83	51.8 Å²	51.8	33%	0.325	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-117.9	10.3	176.1	-55.8	-81.2	0	0	0	112.6	G671 T672 V676 V679 L693 I723	G671-Y674 CarbonylContact O-C 3.56Å; G671-Y674 WeakPolarHBondContact O-CA 3.44Å; G671-Y674 PolarHBondContact O-N 3.22Å; T672-Y674 PolarHBondContact O-N 2.98Å; Y674-V676 VanDerWaalsContact C-N 3.34Å; Y674-V676 PolarHBondContact O-N 2.9Å; Y674-V679 HydrophobicContact CD2-CG2 3.56Å; Y674-V679 HydrophobicContact CE2-CG2 4Å; Y674-V679 HydrophobicContact CG-CG2 4.43Å; Y674-L693 HydrophobicContact CG-CD2 4.29Å; Y674-I723 HydrophobicContact CD1-CD1 3.51Å; Y674-I723 HydrophobicContact CE1-CD1 3.88Å; Y674-I723 HydrophobicContact CG-CD1 4.39Å
675	G	73.6	Confident	78.5	Confident	44 Å²	44	51 Å²	51	45%	0.454	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	19	-179.8	0	0	0	0	0	115.3	G671 T672 Y716	G671-G675 PolarHBondContact O-N 3.34Å; T672-G675 PolarHBondContact O-N 2.8Å; G675-Y716 WeakPolarHBondContact O-CE1 3.48Å
676	V	80.7	Confident	78.5	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.042	29%	0.285	C	S	.	.	S	Bend	trans	-127.4	170.9	-178.1	-53.5	0	0	0	0	111.1	G671 T672 Y674 Y678 V679 L693 V694 V695 Y716	G671-V676 CarbonylContact C-O 3.43Å; G671-V676 VanDerWaalsContact CA-O 3.27Å; G671-V676 WeakPolarHBondContact CA-O 3.31Å; G671-V676 PolarHBondContact O-N 2.85Å; G671-V676 VanDerWaalsContact O-O 3.07Å; T672-V676 PolarHBondContact N-O 2.65Å; T672-V676 VanDerWaalsContact N-O 3.17Å; Y674-V676 VanDerWaalsContact C-N 3.34Å; Y674-V676 PolarHBondContact O-N 2.9Å; V676-Y678 VanDerWaalsContact CG2-O 3.31Å; V676-Y678 WeakPolarHBondContact CG2-O 3.47Å; V676-V679 HydrophobicContact CG2-CG2 4.28Å; V676-L693 HydrophobicContact CG1-CB 4.2Å; V676-L693 HydrophobicContact CG2-CB 4.15Å; V676-L693 HydrophobicContact CG2-CD2 4.18Å; V676-V694 WeakPolarHBondContact CB-O 3.22Å; V676-V695 HydrophobicContact CB-CG2 3.83Å; V676-V695 HydrophobicContact CG1-CG2 3.55Å; V676-Y716 HydrophobicContact CG1-CD1 4.2Å; V676-Y716 HydrophobicContact CG1-CE1 4.02Å
677	D	82.9	Confident	77.8	Confident	39 Å²	39	52.6 Å²	52.6	21%	0.209	30%	0.302	C	S	.	.	S	Bend	trans	-75.1	-48.4	-178.7	-62	-90.6	0	0	0	112	L654 G671 V694 V695 L696	L654-D677 HydrophobicContact CD2-CB 4.19Å; G671-D677 PolarHBondContact N-O 3.5Å; D677-V694 PolarHBondContact N-O 3.22Å; D677-V695 WeakPolarHBondContact OD2-CA 3.39Å; D677-L696 HydrophobicContact CB-CD1 3.61Å; D677-L696 PolarHBondContact OD2-N 3.16Å
678	Y	87.6	Confident	77.6	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.4	180	-55.7	-58.2	0	0	0	113.9	L603 L654 V657 V668 A669 V676 V694 L696	L603-Y678 HydrophobicContact CD2-CE1 3.61Å; L603-Y678 WeakPolarHBondContact CD2-OH 3.36Å; L654-Y678 WeakPolarHBondContact CB-OH 3.26Å; L654-Y678 HydrophobicContact CD2-CE2 4.18Å; L654-Y678 PolarHBondContact O-OH 3.26Å; V657-Y678 HydrophobicContact CB-CE2 4.26Å; V657-Y678 HydrophobicContact CG1-CD2 4.23Å; V657-Y678 HydrophobicContact CG1-CE2 4.15Å; V668-Y678 HydrophobicContact CG1-CD1 3.61Å; V668-Y678 HydrophobicContact CG1-CD2 4.14Å; V668-Y678 HydrophobicContact CG1-CE1 4.23Å; V668-Y678 HydrophobicContact CG1-CG 3.57Å; A669-Y678 CarbonylContact O-C 3.58Å; A669-Y678 VanDerWaalsContact O-CA 3.28Å; A669-Y678 WeakPolarHBondContact O-CA 3.37Å; V676-Y678 VanDerWaalsContact CG2-O 3.31Å; V676-Y678 WeakPolarHBondContact CG2-O 3.47Å; Y678-V694 PolarHBondContact N-O 3.26Å; Y678-V694 VanDerWaalsContact N-O 3.14Å; Y678-V694 PolarHBondContact O-N 3.48Å; Y678-L696 HydrophobicContact CD2-CD1 3.88Å; Y678-L696 HydrophobicContact CE2-CD1 3.83Å
679	V	86.1	Confident	77.5	Confident	1 Å²	1	60 Å²	60	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.7	170.9	173	0	0	0	0	107.7	A669 Y674 V676 Y681 S690 Y692 L693	A669-V679 PolarHBondContact N-O 3.21Å; A669-V679 PolarHBondContact O-N 2.99Å; Y674-V679 HydrophobicContact CD2-CG2 3.56Å; Y674-V679 HydrophobicContact CE2-CG2 4Å; Y674-V679 HydrophobicContact CG-CG2 4.43Å; V676-V679 HydrophobicContact CG2-CG2 4.28Å; V679-Y681 HydrophobicContact CB-CE2 4.28Å; V679-Y681 HydrophobicContact CG1-CD2 4.12Å; V679-Y681 HydrophobicContact CG1-CE2 3.49Å; V679-Y681 VanDerWaalsContact CG1-CE2 3.49Å; V679-S690 VanDerWaalsContact CG1-OG 3.31Å; V679-S690 WeakPolarHBondContact CG1-OG 3.44Å; V679-Y692 WeakPolarHBondContact CA-O 3.4Å; V679-L693 HydrophobicContact CG2-CD2 3.91Å
680	L	87.1	Confident	77.5	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.7	-175.6	-51.3	-178.9	0	0	0	111.5	F661 W666 V668 S690 S691 Y692 V694	F661-L680 HydrophobicContact CB-CD2 3.93Å; F661-L680 HydrophobicContact CD1-CD1 3.42Å; F661-L680 VanDerWaalsContact CD1-CD1 3.42Å; F661-L680 HydrophobicContact CD1-CD2 4.3Å; F661-L680 HydrophobicContact CD2-CD1 4.05Å; F661-L680 HydrophobicContact CD2-CD2 3.92Å; F661-L680 HydrophobicContact CE1-CD1 3.43Å; F661-L680 VanDerWaalsContact CE1-CD1 3.43Å; F661-L680 HydrophobicContact CE2-CD1 4.06Å; F661-L680 HydrophobicContact CG-CD1 3.76Å; F661-L680 HydrophobicContact CG-CD2 3.79Å; F661-L680 HydrophobicContact CG-CG 4.46Å; F661-L680 HydrophobicContact CZ-CD1 3.76Å; W666-L680 HydrophobicContact CB-CD2 4.5Å; W666-L680 HydrophobicContact CD2-CB 4.18Å; W666-L680 HydrophobicContact CD2-CD1 4.44Å; W666-L680 HydrophobicContact CE3-CB 3.64Å; W666-L680 HydrophobicContact CZ3-CB 4.28Å; V668-L680 HydrophobicContact CB-CD2 4.27Å; V668-L680 HydrophobicContact CG1-CD2 3.99Å; V668-L680 HydrophobicContact CG2-CD2 3.9Å; L680-S690 CarbonylContact O-C 3.48Å; L680-S690 WeakPolarHBondContact O-CA 3.41Å; L680-S690 VanDerWaalsContact O-CB 3.25Å; L680-S690 WeakPolarHBondContact O-CB 3.24Å; L680-S691 PolarHBondContact O-N 2.92Å; L680-Y692 HydrophobicContact CB-CD2 4.36Å; L680-Y692 HydrophobicContact CD1-CD2 4.17Å; L680-Y692 HydrophobicContact CD1-CG 4.46Å; L680-Y692 PolarHBondContact N-O 3.12Å; L680-Y692 PolarHBondContact O-N 2.85Å; L680-V694 HydrophobicContact CD1-CG2 3.68Å; L680-V694 HydrophobicContact CD2-CG2 4.14Å; L680-V694 HydrophobicContact CG-CG2 3.65Å
681	Y	84.1	Confident	77.6	Confident	32 Å²	32	57.8 Å²	57.8	13%	0.125	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.9	174.5	-60.5	-107.9	0	0	0	110.4	I667 A669 V679 N683 P685 V688 S690	I667-Y681 PolarHBondContact N-O 3.42Å; I667-Y681 PolarHBondContact O-N 3.18Å; A669-Y681 HydrophobicContact CB-CD2 4.33Å; A669-Y681 HydrophobicContact CB-CE2 3.85Å; V679-Y681 HydrophobicContact CB-CE2 4.28Å; V679-Y681 HydrophobicContact CG1-CD2 4.12Å; V679-Y681 HydrophobicContact CG1-CE2 3.49Å; V679-Y681 VanDerWaalsContact CG1-CE2 3.49Å; Y681-N683 WeakPolarHBondContact CB-O 3.32Å; Y681-N683 PolarHBondContact O-N 3.48Å; Y681-P685 HydrophobicContact CD1-CB 3.86Å; Y681-P685 HydrophobicContact CD1-CG 3.92Å; Y681-P685 HydrophobicContact CD2-CB 4.49Å; Y681-P685 HydrophobicContact CD2-CG 3.88Å; Y681-P685 HydrophobicContact CE1-CB 3.57Å; Y681-P685 HydrophobicContact CE1-CG 4.01Å; Y681-P685 HydrophobicContact CE2-CB 4.25Å; Y681-P685 HydrophobicContact CE2-CG 3.97Å; Y681-P685 HydrophobicContact CG-CB 4.32Å; Y681-P685 HydrophobicContact CG-CG 3.86Å; Y681-V688 VanDerWaalsContact CD1-O 3.3Å; Y681-V688 WeakPolarHBondContact CD1-O 3.3Å; Y681-S690 VanDerWaalsContact CD1-N 3.34Å
682	P	81.2	Confident	78.1	Confident	71 Å²	71	61.6 Å²	61.6	46%	0.461	34%	0.342	S	S	.	.	S	Bend	trans	-77.6	-12.1	178.4	31.6	-34	0	0	0	112.8	W666 V688	W666-P682 HydrophobicContact CE3-CB 4.42Å; W666-P682 HydrophobicContact CH2-CB 4.13Å; W666-P682 HydrophobicContact CZ3-CB 3.76Å; W666-P682 HydrophobicContact CZ3-CG 4.33Å; P682-V688 HydrophobicContact CG-CG2 4.05Å
683	N	76.5	Confident	78.7	Confident	66 Å²	66	58.2 Å²	58.2	35%	0.353	32%	0.322	S	S	.	.	S	Bend	trans	-153.1	-171.7	175.6	-160.7	-11	0	0	0	108.3	Y681 V688	Y681-N683 WeakPolarHBondContact CB-O 3.32Å; Y681-N683 PolarHBondContact O-N 3.48Å; N683-V688 HydrophobicContact CB-CG1 4.13Å; N683-V688 HydrophobicContact CB-CG2 3.77Å
684	L	70.7	Confident	79.6	Confident	87 Å²	87	51.1 Å²	51.1	46%	0.455	28%	0.284	S	S	.	.			trans	-54.7	132.5	-179.1	-70.2	169	0	0	0	112.7	I667 S686 I687 V688	I667-L684 HydrophobicContact CD1-CD2 3.96Å; I667-L684 HydrophobicContact CD1-CG 4.42Å; L684-S686 PolarHBondContact O-N 3.46Å; L684-I687 HydrophobicContact CB-CD1 4.08Å; L684-I687 HydrophobicContact CB-CG1 4.15Å; L684-I687 HydrophobicContact CD1-CD1 4.04Å; L684-I687 PolarHBondContact O-N 2.92Å; L684-V688 PolarHBondContact O-N 3.11Å; L684-V688 VanDerWaalsContact O-N 3.14Å
685	P	70	Confident	80.1	Confident	62 Å²	62	47.9 Å²	47.9	40%	0.403	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.9	177.8	-28.9	36.1	0	0	0	116.2	I667 Y681	I667-P685 HydrophobicContact CG2-CG 4.34Å; Y681-P685 HydrophobicContact CD1-CB 3.86Å; Y681-P685 HydrophobicContact CD1-CG 3.92Å; Y681-P685 HydrophobicContact CD2-CB 4.49Å; Y681-P685 HydrophobicContact CD2-CG 3.88Å; Y681-P685 HydrophobicContact CE1-CB 3.57Å; Y681-P685 HydrophobicContact CE1-CG 4.01Å; Y681-P685 HydrophobicContact CE2-CB 4.25Å; Y681-P685 HydrophobicContact CE2-CG 3.97Å; Y681-P685 HydrophobicContact CG-CB 4.32Å; Y681-P685 HydrophobicContact CG-CG 3.86Å
686	S	70.4	Confident	80.4	Confident	108 Å²	108	46.6 Å²	46.6	76%	0.755	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.9	174	51.3	0	0	0	0	114.2	L684	L684-S686 PolarHBondContact O-N 3.46Å
687	I	66.5	Low	80	Confident	113 Å²	113	48.5 Å²	48.5	58%	0.579	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-35.2	-175.3	-51.4	179.3	0	0	0	111.1	L684	L684-I687 HydrophobicContact CB-CD1 4.08Å; L684-I687 HydrophobicContact CB-CG1 4.15Å; L684-I687 HydrophobicContact CD1-CD1 4.04Å; L684-I687 PolarHBondContact O-N 2.92Å
688	V	76.3	Confident	79	Confident	43 Å²	43	50.6 Å²	50.6	26%	0.261	28%	0.279	S	S	.	.	S	Bend	trans	-129.5	148.9	-177.8	-60.4	0	0	0	0	111.7	Y681 P682 N683 L684	Y681-V688 VanDerWaalsContact CD1-O 3.3Å; Y681-V688 WeakPolarHBondContact CD1-O 3.3Å; P682-V688 HydrophobicContact CG-CG2 4.05Å; N683-V688 HydrophobicContact CB-CG1 4.13Å; N683-V688 HydrophobicContact CB-CG2 3.77Å; L684-V688 PolarHBondContact O-N 3.11Å; L684-V688 VanDerWaalsContact O-N 3.14Å
689	H	80.2	Confident	77.4	Confident	175 Å²	175	52.9 Å²	52.9	81%	0.81	30%	0.296	S	S	*	.			trans	-70.9	154.8	163.4	-62.8	-60.2	0	0	0	110.8
690	S	82	Confident	75.5	Confident	7 Å²	7	56.8 Å²	56.8	5%	0.049	32%	0.321	C	S	.	.			trans	-70.8	133.2	175.6	57.1	0	0	0	0	111.7	V679 L680 Y681 K725	V679-S690 VanDerWaalsContact CG1-OG 3.31Å; V679-S690 WeakPolarHBondContact CG1-OG 3.44Å; L680-S690 CarbonylContact O-C 3.48Å; L680-S690 WeakPolarHBondContact O-CA 3.41Å; L680-S690 VanDerWaalsContact O-CB 3.25Å; L680-S690 WeakPolarHBondContact O-CB 3.24Å; Y681-S690 VanDerWaalsContact CD1-N 3.34Å; S690-K725 WeakPolarHBondContact O-CG 3.48Å; S690-K725 VanDerWaalsContact OG-CD 3.3Å; S690-K725 WeakPolarHBondContact OG-CD 3.3Å; S690-K725 WeakPolarHBondContact OG-CE 3.48Å; S690-K725 PolarHBondContact OG-NZ 3.39Å
691	S	82.1	Confident	73.4	Confident	44 Å²	44	61.3 Å²	61.3	31%	0.308	35%	0.349	S	S	.	.	S	Bend	trans	-76.7	-35.1	178.3	-49.7	0	0	0	0	113.3	L680 V726	L680-S691 PolarHBondContact O-N 2.92Å; S691-V726 PolarHBondContact O-N 3.13Å; S691-V726 VanDerWaalsContact O-N 3.12Å
692	Y	87.5	Confident	71.3	Confident	79 Å²	79	71.9 Å²	71.9	31%	0.31	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144	-169.8	-58.1	-72.6	0	0	0	114.1	W666 V679 L680 V726 V728	W666-Y692 AromaticContact CH2-CD2 3.81Å; W666-Y692 HydrophobicContact CH2-CD2 3.81Å; W666-Y692 AromaticContact CH2-CE2 3.45Å; W666-Y692 HydrophobicContact CH2-CE2 3.45Å; W666-Y692 VanDerWaalsContact CH2-CE2 3.45Å; W666-Y692 HydrophobicContact CZ2-CD2 4.22Å; W666-Y692 AromaticContact CZ2-CE2 3.73Å; W666-Y692 HydrophobicContact CZ2-CE2 3.73Å; W666-Y692 AromaticContact CZ3-CD2 3.98Å; W666-Y692 HydrophobicContact CZ3-CD2 3.98Å; W666-Y692 HydrophobicContact CZ3-CE2 4.09Å; V679-Y692 WeakPolarHBondContact CA-O 3.4Å; L680-Y692 HydrophobicContact CB-CD2 4.36Å; L680-Y692 HydrophobicContact CD1-CD2 4.17Å; L680-Y692 HydrophobicContact CD1-CG 4.46Å; L680-Y692 PolarHBondContact N-O 3.12Å; L680-Y692 PolarHBondContact O-N 2.85Å; Y692-V726 VanDerWaalsContact CA-O 3.29Å; Y692-V726 WeakPolarHBondContact CA-O 3.37Å; Y692-V726 HydrophobicContact CD1-CB 3.65Å; Y692-V726 HydrophobicContact CD1-CG1 3.91Å; Y692-V726 HydrophobicContact CE1-CB 3.77Å; Y692-V726 HydrophobicContact CE1-CG1 3.86Å; Y692-V726 HydrophobicContact CE1-CG2 4.45Å; Y692-V728 HydrophobicContact CD1-CG2 3.48Å; Y692-V728 VanDerWaalsContact CD1-CG2 3.48Å; Y692-V728 HydrophobicContact CE1-CG2 4.22Å; Y692-V728 HydrophobicContact CG-CG2 3.95Å
693	L	86.7	Confident	69.3	Low	2 Å²	2	78.6 Å²	78.6	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.9	162.6	-61.2	-179.5	0	0	0	108.3	Y674 V676 V679 A720 I723 K725 V726 V728	Y674-L693 HydrophobicContact CG-CD2 4.29Å; V676-L693 HydrophobicContact CG1-CB 4.2Å; V676-L693 HydrophobicContact CG2-CB 4.15Å; V676-L693 HydrophobicContact CG2-CD2 4.18Å; V679-L693 HydrophobicContact CG2-CD2 3.91Å; L693-A720 HydrophobicContact CD1-CB 4.03Å; L693-I723 HydrophobicContact CD1-CD1 4.16Å; L693-I723 HydrophobicContact CD2-CD1 4.35Å; L693-K725 HydrophobicContact CD1-CB 4.46Å; L693-K725 HydrophobicContact CD2-CD 3.68Å; L693-K725 HydrophobicContact CG-CB 4.06Å; L693-K725 HydrophobicContact CG-CD 3.97Å; L693-V726 PolarHBondContact N-O 3.24Å; L693-V728 PolarHBondContact O-N 3.03Å
694	V	86.4	Confident	67.5	Low	0 Å²	0	78.7 Å²	78.7	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.1	-176.8	-174.1	0	0	0	0	110.6	V657 F661 V676 D677 Y678 L680 L696 V728	V657-V694 HydrophobicContact CG1-CG1 4.4Å; F661-V694 HydrophobicContact CE2-CG1 3.96Å; F661-V694 HydrophobicContact CE2-CG2 3.98Å; F661-V694 HydrophobicContact CZ-CG2 4.25Å; V676-V694 WeakPolarHBondContact CB-O 3.22Å; D677-V694 PolarHBondContact N-O 3.22Å; Y678-V694 PolarHBondContact N-O 3.26Å; Y678-V694 VanDerWaalsContact N-O 3.14Å; Y678-V694 PolarHBondContact O-N 3.48Å; L680-V694 HydrophobicContact CD1-CG2 3.68Å; L680-V694 HydrophobicContact CD2-CG2 4.14Å; L680-V694 HydrophobicContact CG-CG2 3.65Å; V694-L696 HydrophobicContact CG1-CD1 4.15Å; V694-V728 WeakPolarHBondContact CA-O 3.47Å; V694-V728 HydrophobicContact CG2-CB 4.46Å
695	V	83.5	Confident	65.6	Low	16 Å²	16	85.6 Å²	85.6	10%	0.097	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.6	169.3	178.8	0	0	0	0	108.5	V676 D677 Y716 V728 I729 Y730	V676-V695 HydrophobicContact CB-CG2 3.83Å; V676-V695 HydrophobicContact CG1-CG2 3.55Å; D677-V695 WeakPolarHBondContact OD2-CA 3.39Å; V695-Y716 HydrophobicContact CG2-CD1 4.16Å; V695-Y716 HydrophobicContact CG2-CE1 3.85Å; V695-V728 PolarHBondContact N-O 3.39Å; V695-I729 CarbonylContact O-C 3.45Å; V695-I729 WeakPolarHBondContact O-CA 3.44Å; V695-Y730 PolarHBondContact O-N 3.32Å
696	L	80.6	Confident	64.2	Low	16 Å²	16	87.1 Å²	87.1	8%	0.084	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135	174.4	-89.8	75.8	0	0	0	110.4	L654 V657 D677 Y678 V694 I732	L654-L696 HydrophobicContact CB-CD2 4.5Å; L654-L696 HydrophobicContact CD2-CD1 4.39Å; L654-L696 HydrophobicContact CD2-CD2 3.86Å; L654-L696 HydrophobicContact CG-CD2 4.05Å; V657-L696 HydrophobicContact CB-CD1 4.18Å; V657-L696 HydrophobicContact CB-CD2 4.15Å; V657-L696 HydrophobicContact CB-CG 4.31Å; V657-L696 HydrophobicContact CG1-CD1 3.89Å; V657-L696 HydrophobicContact CG1-CG 4.38Å; V657-L696 HydrophobicContact CG2-CD1 4.45Å; V657-L696 HydrophobicContact CG2-CD2 3.94Å; V657-L696 HydrophobicContact CG2-CG 4.08Å; D677-L696 HydrophobicContact CB-CD1 3.61Å; D677-L696 PolarHBondContact OD2-N 3.16Å; Y678-L696 HydrophobicContact CD2-CD1 3.88Å; Y678-L696 HydrophobicContact CE2-CD1 3.83Å; V694-L696 HydrophobicContact CG1-CD1 4.15Å; L696-I732 HydrophobicContact CD2-CD1 3.75Å; L696-I732 HydrophobicContact CG-CD1 4.32Å
697	K	72.5	Confident	63.1	Low	47 Å²	47	86.6 Å²	86.6	20%	0.204	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.8	162.2	-82.7	-153.9	159.6	-157.1	0	110.6	S699 I729 Y730 H731 I732	K697-S699 PolarHBondContact O-N 2.92Å; K697-I729 HydrophobicContact CB-CG2 4.42Å; K697-I729 HydrophobicContact CD-CG2 4.19Å; K697-I729 HydrophobicContact CG-CG2 4.02Å; K697-Y730 PolarHBondContact N-O 3.11Å; K697-H731 WeakPolarHBondContact O-CA 3.37Å; K697-I732 PolarHBondContact O-N 3.24Å
698	P	60.5	Low	62.5	Low	83 Å²	83	83 Å²	83	54%	0.539	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	137.8	158	-21.9	33.3	0	0	0	109.3
699	S	53.8	Low	61.5	Low	58 Å²	58	85 Å²	85	41%	0.406	44%	0.436	S	S	.	.			trans	-57.2	134.6	174	177	0	0	0	0	110.4	K697 T701 I732	K697-S699 PolarHBondContact O-N 2.92Å; S699-T701 PolarHBondContact O-N 3.42Å; S699-I732 WeakPolarHBondContact CB-O 3.45Å; S699-I732 PolarHBondContact N-O 3.36Å
700	P	47.6	Very low	60.4	Low	82 Å²	82	84.6 Å²	84.6	53%	0.532	43%	0.432	S	S	.	.			trans	-62.5	110.3	-177.2	25.5	-34.2	0	0	0	110.1
701	T	42.1	Very low	59.5	Low	96 Å²	96	94.4 Å²	94.4	59%	0.589	47%	0.468	S	S	*	.			trans	-56.3	150.3	162.9	64.4	0	0	0	0	108.4	S699 K703 S704	S699-T701 PolarHBondContact O-N 3.42Å; T701-K703 PolarHBondContact O-N 2.96Å; T701-S704 PolarHBondContact O-N 3.38Å; T701-S704 WeakPolarHBondContact OG1-CB 3.43Å
702	R	40.7	Very low	58.8	Low	254 Å²	254	95.6 Å²	95.6	96%	0.958	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.2	-174.7	-90.5	-175.6	170.9	-175.9	-3.6	114.8
703	K	39.1	Very low	57.7	Low	213 Å²	213	95.8 Å²	95.8	93%	0.926	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-13.4	176	-63.5	-173.5	175.6	-174.9	0	114.5	T701	T701-K703 PolarHBondContact O-N 2.96Å
704	S	37.3	Very low	56.7	Low	68 Å²	68	97.7 Å²	97.7	48%	0.476	49%	0.489	S	S	.	.			trans	-107.2	62.9	-175.5	-175.2	0	0	0	0	112.5	T701 C706	T701-S704 PolarHBondContact O-N 3.38Å; T701-S704 WeakPolarHBondContact OG1-CB 3.43Å; S704-C706 PolarHBondContact O-N 2.85Å
705	R	31.8	Very low	55.9	Low	231 Å²	231	101.1 Å²	101.1	87%	0.872	51%	0.512	S	S	*	.			trans	-86.9	71.1	170.8	-79	-172.4	169.8	-173	-2.3	111.5
706	C	39.7	Very low	55.2	Low	95 Å²	95	103.5 Å²	103.5	64%	0.642	52%	0.519	S	S	*	.			trans	-110.4	98.6	159.6	-158.4	0	0	0	0	109.2	S704	S704-C706 PolarHBondContact O-N 2.85Å
707	P	47.7	Very low	54.5	Low	96 Å²	96	105.9 Å²	105.9	62%	0.623	54%	0.537	S	S	*	.			trans	-57.2	167.4	168.7	-22.9	34.7	0	0	0	111.3	V709	P707-V709 PolarHBondContact O-N 2.92Å
708	L	53.5	Low	54.5	Low	37 Å²	37	112.1 Å²	112.1	19%	0.194	56%	0.56	C	S	.	*			trans	-67.3	108.7	155.5	-85.3	157.4	0	0	0	105.7	N712 L713 Y716 I729	L708-N712 HydrophobicContact CD2-CB 3.49Å; L708-N712 VanDerWaalsContact CD2-CB 3.49Å; L708-L713 HydrophobicContact CB-CD1 4.26Å; L708-L713 HydrophobicContact CD1-CD1 4.06Å; L708-Y716 HydrophobicContact CD2-CD2 4.15Å; L708-Y716 HydrophobicContact CD2-CE2 3.83Å; L708-I729 HydrophobicContact CD1-CD1 3.69Å; L708-I729 HydrophobicContact CD1-CG1 4.48Å
709	V	56.9	Low	54.9	Low	87 Å²	87	111.4 Å²	111.4	53%	0.527	55%	0.551	S	S	.	*			trans	-54.5	146.7	170.2	-134.4	0	0	0	0	107.9	P707 R711 N712 L713	P707-V709 PolarHBondContact O-N 2.92Å; V709-R711 PolarHBondContact O-N 2.99Å; V709-R711 VanDerWaalsContact O-N 3.07Å; V709-N712 WeakPolarHBondContact O-CA 3.43Å; V709-N712 WeakPolarHBondContact O-CB 3.41Å; V709-N712 PolarHBondContact O-N 3.5Å; V709-L713 PolarHBondContact O-N 3Å
710	F	57	Low	55.6	Low	166 Å²	166	108.9 Å²	108.9	73%	0.728	53%	0.534	S	S	*	.	H	α-helix	trans	-49.9	-43.1	-174.9	-165.1	-91.4	0	0	0	111.8	N712 L713 T714	F710-N712 VanDerWaalsContact C-N 3.3Å; F710-N712 PolarHBondContact O-N 3.31Å; F710-L713 WeakPolarHBondContact O-CA 3.42Å; F710-L713 WeakPolarHBondContact O-CB 3.3Å; F710-L713 PolarHBondContact O-N 3.47Å; F710-T714 WeakPolarHBondContact CD1-OG1 3.21Å; F710-T714 PolarHBondContact O-N 3.34Å; F710-T714 PolarHBondContact O-OG1 3.01Å
711	R	63.2	Low	56.7	Low	213 Å²	213	109.8 Å²	109.8	80%	0.804	54%	0.538	S	S	*	.	H	α-helix	trans	-47.6	-43.3	172	-175.4	177.1	-178.3	175.3	0.3	114.3	V709 C715	V709-R711 PolarHBondContact O-N 2.99Å; V709-R711 VanDerWaalsContact O-N 3.07Å; R711-C715 WeakPolarHBondContact O-CB 3.49Å; R711-C715 PolarHBondContact O-N 3.17Å
712	N	66.6	Low	58	Low	68 Å²	68	110.8 Å²	110.8	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-72.7	-40.6	179.8	-60.9	16.9	0	0	0	110.4	L708 V709 F710 C715 Y716	L708-N712 HydrophobicContact CD2-CB 3.49Å; L708-N712 VanDerWaalsContact CD2-CB 3.49Å; V709-N712 WeakPolarHBondContact O-CA 3.43Å; V709-N712 WeakPolarHBondContact O-CB 3.41Å; V709-N712 PolarHBondContact O-N 3.5Å; F710-N712 VanDerWaalsContact C-N 3.3Å; F710-N712 PolarHBondContact O-N 3.31Å; N712-C715 WeakPolarHBondContact O-CB 3.27Å; N712-C715 PolarHBondContact O-N 3.43Å; N712-Y716 WeakPolarHBondContact O-CD2 3.31Å; N712-Y716 PolarHBondContact O-N 3.1Å
713	L	64	Low	59.4	Low	83 Å²	83	101.4 Å²	101.4	44%	0.435	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-43.5	175.9	-152	82	0	0	0	111.2	L708 V709 F710 C715 Y716 S717 I729	L708-L713 HydrophobicContact CB-CD1 4.26Å; L708-L713 HydrophobicContact CD1-CD1 4.06Å; V709-L713 PolarHBondContact O-N 3Å; F710-L713 WeakPolarHBondContact O-CA 3.42Å; F710-L713 WeakPolarHBondContact O-CB 3.3Å; F710-L713 PolarHBondContact O-N 3.47Å; L713-C715 VanDerWaalsContact C-N 3.31Å; L713-C715 PolarHBondContact O-N 3.01Å; L713-Y716 PolarHBondContact O-N 3.33Å; L713-S717 VanDerWaalsContact O-CB 3.26Å; L713-S717 WeakPolarHBondContact O-CB 3.36Å; L713-S717 PolarHBondContact O-N 3.24Å; L713-I729 HydrophobicContact CD1-CD1 3.92Å
714	T	65.7	Low	61	Low	43 Å²	43	96.8 Å²	96.8	26%	0.264	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-38	173.1	-44.3	0	0	0	0	111.7	F710 R718	F710-T714 WeakPolarHBondContact CD1-OG1 3.21Å; F710-T714 PolarHBondContact O-N 3.34Å; F710-T714 PolarHBondContact O-OG1 3.01Å; T714-R718 WeakPolarHBondContact O-CB 3.45Å; T714-R718 VanDerWaalsContact O-CG 3.28Å; T714-R718 WeakPolarHBondContact O-CG 3.29Å; T714-R718 PolarHBondContact O-N 3.13Å
715	C	69.9	Low	62.8	Low	72 Å²	72	94.8 Å²	94.8	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-48.8	177.9	-167.5	0	0	0	0	111.9	R711 N712 L713 S717 R718 L719	R711-C715 WeakPolarHBondContact O-CB 3.49Å; R711-C715 PolarHBondContact O-N 3.17Å; N712-C715 WeakPolarHBondContact O-CB 3.27Å; N712-C715 PolarHBondContact O-N 3.43Å; L713-C715 VanDerWaalsContact C-N 3.31Å; L713-C715 PolarHBondContact O-N 3.01Å; C715-S717 VanDerWaalsContact C-N 3.35Å; C715-S717 PolarHBondContact O-N 2.92Å; C715-R718 PolarHBondContact O-N 2.73Å; C715-L719 WeakPolarHBondContact O-CB 3.19Å; C715-L719 PolarHBondContact O-N 3.08Å
716	Y	68.5	Low	65.1	Low	65 Å²	65	87.8 Å²	87.8	26%	0.255	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-36.9	174.8	-73.8	-59.8	0	0	0	113.1	G675 V676 V695 L708 N712 L713 A720	G675-Y716 WeakPolarHBondContact O-CE1 3.48Å; V676-Y716 HydrophobicContact CG1-CD1 4.2Å; V676-Y716 HydrophobicContact CG1-CE1 4.02Å; V695-Y716 HydrophobicContact CG2-CD1 4.16Å; V695-Y716 HydrophobicContact CG2-CE1 3.85Å; L708-Y716 HydrophobicContact CD2-CD2 4.15Å; L708-Y716 HydrophobicContact CD2-CE2 3.83Å; N712-Y716 WeakPolarHBondContact O-CD2 3.31Å; N712-Y716 PolarHBondContact O-N 3.1Å; L713-Y716 PolarHBondContact O-N 3.33Å; Y716-A720 VanDerWaalsContact O-CB 3.26Å; Y716-A720 WeakPolarHBondContact O-CB 3.25Å; Y716-A720 PolarHBondContact O-N 2.88Å
717	S	67.3	Low	66.8	Low	66 Å²	66	85.4 Å²	85.4	46%	0.462	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-47.6	174.5	176.4	0	0	0	0	111.2	L713 C715 A720 T721	L713-S717 VanDerWaalsContact O-CB 3.26Å; L713-S717 WeakPolarHBondContact O-CB 3.36Å; L713-S717 PolarHBondContact O-N 3.24Å; C715-S717 VanDerWaalsContact C-N 3.35Å; C715-S717 PolarHBondContact O-N 2.92Å; S717-A720 PolarHBondContact O-N 2.77Å; S717-T721 PolarHBondContact O-N 2.86Å; S717-T721 PolarHBondContact O-OG1 3.04Å
718	R	72.7	Confident	68.3	Low	178 Å²	178	82.9 Å²	82.9	67%	0.672	44%	0.439	S	S	*	.	H	α-helix	trans	-59.3	-49.5	175.8	-76.4	176.3	179.3	-172.2	-1	111.7	T714 C715 A720 T721 T722	T714-R718 WeakPolarHBondContact O-CB 3.45Å; T714-R718 VanDerWaalsContact O-CG 3.28Å; T714-R718 WeakPolarHBondContact O-CG 3.29Å; T714-R718 PolarHBondContact O-N 3.13Å; C715-R718 PolarHBondContact O-N 2.73Å; R718-A720 VanDerWaalsContact C-N 3.3Å; R718-A720 PolarHBondContact O-N 2.72Å; R718-T721 PolarHBondContact O-N 3.48Å; R718-T722 WeakPolarHBondContact O-CB 3.46Å; R718-T722 PolarHBondContact O-N 3.17Å; R718-T722 PolarHBondContact O-OG1 3.35Å
719	L	68.7	Low	69.5	Low	69 Å²	69	84.1 Å²	84.1	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-52.2	-48.2	175.3	-94	164.2	0	0	0	112.1	C715 T722 I723	C715-L719 WeakPolarHBondContact O-CB 3.19Å; C715-L719 PolarHBondContact O-N 3.08Å; L719-T722 PolarHBondContact O-N 3.05Å; L719-I723 WeakPolarHBondContact O-CG1 3.18Å; L719-I723 PolarHBondContact O-N 2.69Å
720	A	68.7	Low	70.4	Confident	5 Å²	5	82.9 Å²	82.9	4%	0.041	43%	0.432	C	S	.	.	H	α-helix	trans	-66.6	-43.7	-178.7	0	0	0	0	0	112.7	L693 Y716 S717 R718 I723 S724 K725 S727	L693-A720 HydrophobicContact CD1-CB 4.03Å; Y716-A720 VanDerWaalsContact O-CB 3.26Å; Y716-A720 WeakPolarHBondContact O-CB 3.25Å; Y716-A720 PolarHBondContact O-N 2.88Å; S717-A720 PolarHBondContact O-N 2.77Å; R718-A720 VanDerWaalsContact C-N 3.3Å; R718-A720 PolarHBondContact O-N 2.72Å; A720-I723 CarbonylContact O-C 3.47Å; A720-I723 PolarHBondContact O-N 3.13Å; A720-S724 PolarHBondContact O-N 3.4Å; A720-K725 WeakPolarHBondContact CB-O 3.22Å; A720-K725 PolarHBondContact O-N 3.13Å; A720-S727 WeakPolarHBondContact CB-OG 3.48Å
721	T	70.1	Confident	71	Confident	101 Å²	101	80.5 Å²	80.5	62%	0.62	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-43	175.1	-56.4	0	0	0	0	111.8	S717 R718 I723 S724	S717-T721 PolarHBondContact O-N 2.86Å; S717-T721 PolarHBondContact O-OG1 3.04Å; R718-T721 PolarHBondContact O-N 3.48Å; T721-I723 PolarHBondContact O-N 3.05Å; T721-I723 VanDerWaalsContact O-N 3.17Å; T721-S724 PolarHBondContact O-N 2.71Å
722	T	68.1	Low	71	Confident	117 Å²	117	72.2 Å²	72.2	72%	0.718	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-23.2	179.2	-63.7	0	0	0	0	113.3	R718 L719	R718-T722 WeakPolarHBondContact O-CB 3.46Å; R718-T722 PolarHBondContact O-N 3.17Å; R718-T722 PolarHBondContact O-OG1 3.35Å; L719-T722 PolarHBondContact O-N 3.05Å
723	I	70.5	Confident	70.4	Confident	56 Å²	56	71.1 Å²	71.1	29%	0.287	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	15.8	178.3	71.3	-173.7	0	0	0	113.7	Y674 L693 L719 A720 T721 K725	Y674-I723 HydrophobicContact CD1-CD1 3.51Å; Y674-I723 HydrophobicContact CE1-CD1 3.88Å; Y674-I723 HydrophobicContact CG-CD1 4.39Å; L693-I723 HydrophobicContact CD1-CD1 4.16Å; L693-I723 HydrophobicContact CD2-CD1 4.35Å; L719-I723 WeakPolarHBondContact O-CG1 3.18Å; L719-I723 PolarHBondContact O-N 2.69Å; A720-I723 CarbonylContact O-C 3.47Å; A720-I723 PolarHBondContact O-N 3.13Å; T721-I723 PolarHBondContact O-N 3.05Å; T721-I723 VanDerWaalsContact O-N 3.17Å; I723-K725 HydrophobicContact CD1-CD 3.72Å; I723-K725 HydrophobicContact CD1-CG 4.46Å; I723-K725 HydrophobicContact CG1-CB 4.31Å; I723-K725 HydrophobicContact CG1-CD 3.75Å; I723-K725 HydrophobicContact CG1-CG 3.94Å; I723-K725 WeakPolarHBondContact O-CG 3.06Å; I723-K725 PolarHBondContact O-N 2.68Å
724	S	73	Confident	69.7	Low	116 Å²	116	76.9 Å²	76.9	81%	0.811	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	44.9	177.6	-58.2	0	0	0	0	115.1	A720 T721	A720-S724 PolarHBondContact O-N 3.4Å; T721-S724 PolarHBondContact O-N 2.71Å
725	K	75.3	Confident	68.4	Low	26 Å²	26	83 Å²	83	11%	0.113	45%	0.448	C	S	.	.			trans	-120.8	161	178.6	-62.5	177.7	-160.9	-172.6	0	111.6	S690 L693 A720 I723	S690-K725 WeakPolarHBondContact O-CG 3.48Å; S690-K725 VanDerWaalsContact OG-CD 3.3Å; S690-K725 WeakPolarHBondContact OG-CD 3.3Å; S690-K725 WeakPolarHBondContact OG-CE 3.48Å; S690-K725 PolarHBondContact OG-NZ 3.39Å; L693-K725 HydrophobicContact CD1-CB 4.46Å; L693-K725 HydrophobicContact CD2-CD 3.68Å; L693-K725 HydrophobicContact CG-CB 4.06Å; L693-K725 HydrophobicContact CG-CD 3.97Å; A720-K725 WeakPolarHBondContact CB-O 3.22Å; A720-K725 PolarHBondContact O-N 3.13Å; I723-K725 HydrophobicContact CD1-CD 3.72Å; I723-K725 HydrophobicContact CD1-CG 4.46Å; I723-K725 HydrophobicContact CG1-CB 4.31Å; I723-K725 HydrophobicContact CG1-CD 3.75Å; I723-K725 HydrophobicContact CG1-CG 3.94Å; I723-K725 WeakPolarHBondContact O-CG 3.06Å; I723-K725 PolarHBondContact O-N 2.68Å
726	V	79.4	Confident	66.9	Low	84 Å²	84	90.3 Å²	90.3	51%	0.509	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.8	173.6	176.4	0	0	0	0	110.4	S691 Y692 L693	S691-V726 PolarHBondContact O-N 3.13Å; S691-V726 VanDerWaalsContact O-N 3.12Å; Y692-V726 VanDerWaalsContact CA-O 3.29Å; Y692-V726 WeakPolarHBondContact CA-O 3.37Å; Y692-V726 HydrophobicContact CD1-CB 3.65Å; Y692-V726 HydrophobicContact CD1-CG1 3.91Å; Y692-V726 HydrophobicContact CE1-CB 3.77Å; Y692-V726 HydrophobicContact CE1-CG1 3.86Å; Y692-V726 HydrophobicContact CE1-CG2 4.45Å; L693-V726 PolarHBondContact N-O 3.24Å
727	S	75.4	Confident	65.3	Low	46 Å²	46	99 Å²	99	32%	0.322	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.8	173.5	-80.3	0	0	0	0	111.8	A720	A720-S727 WeakPolarHBondContact CB-OG 3.48Å
728	V	80.5	Confident	64.2	Low	42 Å²	42	99.5 Å²	99.5	26%	0.255	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.8	178.3	179.6	0	0	0	0	108.7	Y692 L693 V694 V695	Y692-V728 HydrophobicContact CD1-CG2 3.48Å; Y692-V728 VanDerWaalsContact CD1-CG2 3.48Å; Y692-V728 HydrophobicContact CE1-CG2 4.22Å; Y692-V728 HydrophobicContact CG-CG2 3.95Å; L693-V728 PolarHBondContact O-N 3.03Å; V694-V728 WeakPolarHBondContact CA-O 3.47Å; V694-V728 HydrophobicContact CG2-CB 4.46Å; V695-V728 PolarHBondContact N-O 3.39Å
729	I	77.7	Confident	62.8	Low	64 Å²	64	97.9 Å²	97.9	33%	0.328	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.4	173.4	-58.5	169.5	0	0	0	107.7	V695 K697 L708 L713 H731	V695-I729 CarbonylContact O-C 3.45Å; V695-I729 WeakPolarHBondContact O-CA 3.44Å; K697-I729 HydrophobicContact CB-CG2 4.42Å; K697-I729 HydrophobicContact CD-CG2 4.19Å; K697-I729 HydrophobicContact CG-CG2 4.02Å; L708-I729 HydrophobicContact CD1-CD1 3.69Å; L708-I729 HydrophobicContact CD1-CG1 4.48Å; L713-I729 HydrophobicContact CD1-CD1 3.92Å; I729-H731 PolarHBondContact O-N 2.98Å
730	Y	75.4	Confident	62	Low	61 Å²	61	97.8 Å²	97.8	24%	0.239	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107	-175.6	-159.1	-78.2	0	0	0	110.9	V657 H660 F661 V695 K697 I732	V657-Y730 HydrophobicContact CB-CD1 4.49Å; V657-Y730 HydrophobicContact CG1-CD1 4.2Å; V657-Y730 HydrophobicContact CG1-CD2 4.35Å; V657-Y730 HydrophobicContact CG1-CG 4.06Å; V657-Y730 HydrophobicContact CG2-CD1 3.44Å; V657-Y730 VanDerWaalsContact CG2-CD1 3.44Å; V657-Y730 HydrophobicContact CG2-CE1 3.63Å; V657-Y730 HydrophobicContact CG2-CG 4.14Å; H660-Y730 AromaticContact CD2-CE2 3.9Å; H660-Y730 PolarHBondContact CE1-OH 2.89Å; H660-Y730 PolarHBondContact ND1-OH 3.23Å; F661-Y730 AromaticContact CE2-CD2 3.99Å; F661-Y730 HydrophobicContact CE2-CD2 3.99Å; F661-Y730 HydrophobicContact CE2-CE2 4.34Å; F661-Y730 AromaticContact CZ-CD2 3.78Å; F661-Y730 HydrophobicContact CZ-CD2 3.78Å; F661-Y730 HydrophobicContact CZ-CE2 4.05Å; V695-Y730 PolarHBondContact O-N 3.32Å; K697-Y730 PolarHBondContact N-O 3.11Å; Y730-I732 HydrophobicContact CD1-CG1 4.03Å; Y730-I732 HydrophobicContact CE1-CG1 4.31Å
731	H	70.3	Confident	61.8	Low	116 Å²	116	101.1 Å²	101.1	54%	0.537	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.1	-179.8	-80.5	-87.7	0	0	0	112.1	K697 I729 G733	K697-H731 WeakPolarHBondContact O-CA 3.37Å; I729-H731 PolarHBondContact O-N 2.98Å; H731-G733 PolarHBondContact O-N 3Å; H731-G733 VanDerWaalsContact O-N 3.12Å
732	I	64.2	Low	62.4	Low	38 Å²	38	99.8 Å²	99.8	20%	0.195	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	88.3	174.4	-55.9	171.2	0	0	0	108.6	S653 V657 L696 K697 S699 Y730	S653-I732 VanDerWaalsContact CB-CD1 3.46Å; S653-I732 VanDerWaalsContact O-CD1 3.27Å; S653-I732 WeakPolarHBondContact O-CD1 3.48Å; V657-I732 HydrophobicContact CG2-CD1 3.6Å; V657-I732 HydrophobicContact CG2-CG1 3.82Å; L696-I732 HydrophobicContact CD2-CD1 3.75Å; L696-I732 HydrophobicContact CG-CD1 4.32Å; K697-I732 PolarHBondContact O-N 3.24Å; S699-I732 WeakPolarHBondContact CB-O 3.45Å; S699-I732 PolarHBondContact N-O 3.36Å; Y730-I732 HydrophobicContact CD1-CG1 4.03Å; Y730-I732 HydrophobicContact CE1-CG1 4.31Å
733	G	54.3	Low	63.5	Low	46 Å²	46	94.6 Å²	94.6	47%	0.474	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-62.1	136.9	162.9	0	0	0	0	0	110.5	H731 M735	H731-G733 PolarHBondContact O-N 3Å; H731-G733 VanDerWaalsContact O-N 3.12Å; G733-M735 PolarHBondContact O-N 3.4Å; G733-M735 VanDerWaalsContact O-N 3.15Å
734	K	47.8	Very low	64.6	Low	203 Å²	203	95.2 Å²	95.2	88%	0.883	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-60.2	117.8	149.9	-75.2	-166	174.3	-167.4	0	105.9	R736	K734-R736 PolarHBondContact O-N 2.88Å
735	M	40	Very low	65.7	Low	172 Å²	172	93 Å²	93	85%	0.847	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-54.2	145.1	161.8	-68.3	-144.6	-71.9	0	0	107.6	G733 R737	G733-M735 PolarHBondContact O-N 3.4Å; G733-M735 VanDerWaalsContact O-N 3.15Å; M735-R737 PolarHBondContact O-N 2.96Å
736	R	37.5	Very low	66.6	Low	226 Å²	226	95.5 Å²	95.5	85%	0.853	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-53.9	139.2	161.4	-75.5	179.9	170.3	175.8	-3.2	106.1	K734 V738	K734-R736 PolarHBondContact O-N 2.88Å; R736-V738 PolarHBondContact O-N 2.88Å
737	R	35.7	Very low	67.4	Low	246 Å²	246	94.8 Å²	94.8	93%	0.928	46%	0.457	S	S	*	.			trans	-65.8	75.4	163	-81.3	-175.5	170.5	178.2	-4.9	108.2	M735 K739	M735-R737 PolarHBondContact O-N 2.96Å; R737-K739 VanDerWaalsContact C-N 3.35Å; R737-K739 PolarHBondContact O-N 3Å; R737-K739 VanDerWaalsContact O-N 3.17Å
738	V	42.2	Very low	68.4	Low	77 Å²	77	96.3 Å²	96.3	47%	0.467	46%	0.459	S	S	.	.			trans	-56.2	111.8	144.7	-176.2	0	0	0	0	102.9	R736 C740	R736-V738 PolarHBondContact O-N 2.88Å; V738-C740 PolarHBondContact O-N 2.9Å
739	K	44.8	Very low	69	Low	144 Å²	144	94.5 Å²	94.5	63%	0.626	45%	0.448	S	S	*	.			trans	-59.4	126.5	173.4	-68.4	-179.1	-179.6	-174.7	0	106.3	R737 E741	R737-K739 VanDerWaalsContact C-N 3.35Å; R737-K739 PolarHBondContact O-N 3Å; R737-K739 VanDerWaalsContact O-N 3.17Å; K739-E741 HydrophobicContact CB-CG 3.64Å; K739-E741 HydrophobicContact CD-CG 3.78Å; K739-E741 WeakPolarHBondContact CD-OE1 3.27Å; K739-E741 WeakPolarHBondContact CE-OE1 3.39Å; K739-E741 HydrophobicContact CG-CG 4.47Å; K739-E741 IonicContact NZ-OE1 2.65Å; K739-E741 PolarHBondContact NZ-OE1 3.47Å; K739-E741 PolarHBondContact O-N 2.78Å
740	C	51.8	Low	69.4	Low	67 Å²	67	94.5 Å²	94.5	45%	0.453	45%	0.454	S	S	.	.			trans	-73.8	70.1	164.4	-177	0	0	0	0	108.5	V738 C742 A845	V738-C740 PolarHBondContact O-N 2.9Å; C740-C742 PolarHBondContact O-N 3.01Å; C740-A845 HydrophobicContact CB-CB 4.47Å; C740-A845 VanDerWaalsContact SG-CB 3.51Å; C740-A845 PolarHBondContact SG-N 3.47Å; C740-A845 VanDerWaalsContact SG-N 3.36Å
741	E	65	Low	70.1	Confident	76 Å²	76	95.7 Å²	95.7	36%	0.355	47%	0.471	S	S	.	.			trans	-70.9	117.7	169.5	-60.7	-172.6	155.3	0	0	107.2	K739 L743 F799	K739-E741 HydrophobicContact CB-CG 3.64Å; K739-E741 HydrophobicContact CD-CG 3.78Å; K739-E741 WeakPolarHBondContact CD-OE1 3.27Å; K739-E741 WeakPolarHBondContact CE-OE1 3.39Å; K739-E741 HydrophobicContact CG-CG 4.47Å; K739-E741 IonicContact NZ-OE1 2.65Å; K739-E741 PolarHBondContact NZ-OE1 3.47Å; K739-E741 PolarHBondContact O-N 2.78Å; E741-L743 HydrophobicContact CB-CD2 4.32Å; E741-L743 PolarHBondContact O-N 3.38Å; E741-F799 HydrophobicContact CB-CE1 4.29Å; E741-F799 VanDerWaalsContact OE2-CZ 3.3Å; E741-F799 WeakPolarHBondContact OE2-CZ 3.39Å
742	C	82.7	Confident	71.2	Confident	73 Å²	73	92.7 Å²	92.7	49%	0.493	46%	0.455	S	S	.	.			trans	-66.4	101.7	175.4	-66.2	0	0	0	0	107.8	C740 R744 Y846	C740-C742 PolarHBondContact O-N 3.01Å; C742-R744 PolarHBondContact O-N 2.78Å; C742-Y846 WeakPolarHBondContact CA-OH 3.37Å; C742-Y846 WeakPolarHBondContact CB-OH 3.46Å; C742-Y846 PolarHBondContact SG-OH 3.47Å; C742-Y846 VanDerWaalsContact SG-OH 3.39Å
743	L	91.3	Very high	72.4	Confident	8 Å²	8	97.8 Å²	97.8	4%	0.042	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.2	-175.1	-59	-173.7	0	0	0	109.6	E741 W745 A796 F799 Y828 L841 A842 A843	E741-L743 HydrophobicContact CB-CD2 4.32Å; E741-L743 PolarHBondContact O-N 3.38Å; L743-W745 HydrophobicContact CD1-CH2 3.87Å; L743-W745 HydrophobicContact CD1-CZ2 3.7Å; L743-W745 HydrophobicContact CD1-CZ3 4.44Å; L743-W745 HydrophobicContact CD2-CZ2 3.95Å; L743-W745 HydrophobicContact CG-CZ2 4.36Å; L743-A796 HydrophobicContact CD1-CB 3.73Å; L743-F799 HydrophobicContact CD1-CD1 4.22Å; L743-F799 HydrophobicContact CD2-CD1 4.14Å; L743-F799 HydrophobicContact CD2-CE1 4.09Å; L743-Y828 VanDerWaalsContact CD1-OH 3.28Å; L743-Y828 WeakPolarHBondContact CD1-OH 3.43Å; L743-L841 HydrophobicContact CB-CD2 4.3Å; L743-A842 WeakPolarHBondContact O-CA 3.34Å; L743-A843 HydrophobicContact CB-CB 4.21Å; L743-A843 HydrophobicContact CD1-CB 4.38Å; L743-A843 PolarHBondContact N-O 2.88Å; L743-A843 PolarHBondContact O-N 3.32Å; L743-A843 VanDerWaalsContact O-N 3.09Å
744	R	92.7	Very high	74.2	Confident	68 Å²	68	96.8 Å²	96.8	26%	0.257	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	99.4	170.2	-58.8	-65.3	178.6	-95.3	-3	106.4	C742 Y846 E955	C742-R744 PolarHBondContact O-N 2.78Å; R744-Y846 PolarHBondContact NH1-OH 2.94Å; R744-Y846 PolarHBondContact NH2-OH 2.95Å; R744-E955 IonicContact CZ-OE1 2.72Å; R744-E955 IonicContact CZ-OE2 3.33Å; R744-E955 IonicContact NE-OE1 3.81Å; R744-E955 IonicContact NE-OE2 3.16Å; R744-E955 PolarHBondContact NE-OE2 3.48Å; R744-E955 IonicContact NH2-OE1 3.91Å; R744-E955 PolarHBondContact NH2-OE1 2.72Å; R744-E955 IonicContact NH2-OE2 2.91Å; R744-E955 PolarHBondContact NH2-OE2 2.86Å
745	W	95.5	Very high	76.4	Confident	69 Å²	69	90.9 Å²	90.9	26%	0.261	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130	-175.1	-68.7	-13	0	0	0	111	L743 M792 K795 A796 V840 L841	L743-W745 HydrophobicContact CD1-CH2 3.87Å; L743-W745 HydrophobicContact CD1-CZ2 3.7Å; L743-W745 HydrophobicContact CD1-CZ3 4.44Å; L743-W745 HydrophobicContact CD2-CZ2 3.95Å; L743-W745 HydrophobicContact CG-CZ2 4.36Å; W745-M792 HydrophobicContact CB-CE 3.93Å; W745-M792 WeakPolarHBondContact O-CE 3.46Å; W745-K795 HydrophobicContact CH2-CB 4.33Å; W745-K795 HydrophobicContact CH2-CD 3.82Å; W745-K795 HydrophobicContact CH2-CG 3.76Å; W745-K795 HydrophobicContact CZ3-CB 3.97Å; W745-K795 HydrophobicContact CZ3-CD 3.75Å; W745-K795 HydrophobicContact CZ3-CG 3.83Å; W745-A796 HydrophobicContact CE3-CB 4.31Å; W745-A796 HydrophobicContact CH2-CB 4.15Å; W745-A796 HydrophobicContact CZ3-CB 3.72Å; W745-V840 CarbonylContact O-C 3.59Å; W745-V840 WeakPolarHBondContact O-CA 3.48Å; W745-L841 HydrophobicContact CB-CB 4.46Å; W745-L841 HydrophobicContact CE3-CD2 4.2Å; W745-L841 PolarHBondContact N-O 2.97Å; W745-L841 PolarHBondContact O-N 3.1Å
746	T	95.2	Very high	78.8	Confident	80 Å²	80	86.8 Å²	86.8	49%	0.491	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.9	170.6	54	0	0	0	0	109.6	V839 V840 I959	T746-V839 CarbonylContact C-O 3.48Å; T746-V839 WeakPolarHBondContact CA-O 3.46Å; T746-V840 HydrophobicContact CG2-CG1 4.16Å; T746-I959 HydrophobicContact CG2-CD1 3.9Å; T746-I959 HydrophobicContact CG2-CG1 4.4Å; T746-I959 HydrophobicContact CG2-CG2 3.84Å
747	F	96.3	Very high	81.4	Confident	68 Å²	68	80.2 Å²	80.2	30%	0.298	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	118	172.5	-176.9	-88.8	0	0	0	110	I749 W752 A788 M792 F838 V839	F747-I749 HydrophobicContact CD1-CG1 4.41Å; F747-I749 PolarHBondContact O-N 3.3Å; F747-W752 HydrophobicContact CE1-CB 3.87Å; F747-W752 AromaticContact CE1-CD2 3.94Å; F747-W752 HydrophobicContact CE1-CD2 3.94Å; F747-W752 AromaticContact CE1-CE3 3.94Å; F747-W752 HydrophobicContact CE1-CE3 3.94Å; F747-W752 AromaticContact CE1-CG 3.94Å; F747-W752 HydrophobicContact CE1-CG 3.94Å; F747-W752 HydrophobicContact CZ-CB 3.89Å; F747-W752 AromaticContact CZ-CD1 3.98Å; F747-W752 AromaticContact CZ-CD2 3.76Å; F747-W752 HydrophobicContact CZ-CD2 3.76Å; F747-W752 HydrophobicContact CZ-CE3 4.18Å; F747-W752 AromaticContact CZ-CG 3.61Å; F747-W752 HydrophobicContact CZ-CG 3.61Å; F747-A788 HydrophobicContact CD1-CB 3.62Å; F747-A788 HydrophobicContact CE1-CB 3.59Å; F747-A788 HydrophobicContact CG-CB 4.35Å; F747-A788 HydrophobicContact CZ-CB 4.3Å; F747-M792 HydrophobicContact CB-CE 3.93Å; F747-M792 HydrophobicContact CB-SD 3.53Å; F747-M792 VanDerWaalsContact CB-SD 3.53Å; F747-M792 HydrophobicContact CG-SD 4.29Å; F747-F838 WeakPolarHBondContact O-CA 3.49Å; F747-V839 HydrophobicContact CB-CB 4.36Å; F747-V839 PolarHBondContact N-O 2.9Å; F747-V839 PolarHBondContact O-N 3.27Å
748	H	95.1	Very high	84.2	Confident	78 Å²	78	73 Å²	73	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	90.7	-175.1	-177.4	-127.7	0	0	0	111.3	S750 S751 D837 F838	H748-S750 VanDerWaalsContact C-N 3.27Å; H748-S750 PolarHBondContact O-N 3.48Å; H748-S751 VanDerWaalsContact ND1-CB 3.27Å; H748-S751 WeakPolarHBondContact ND1-CB 3.23Å; H748-S751 PolarHBondContact ND1-OG 3.34Å; H748-S751 PolarHBondContact O-N 2.83Å; H748-S751 PolarHBondContact O-OG 3.38Å; H748-D837 CarbonylContact C-O 3.59Å; H748-D837 WeakPolarHBondContact CA-O 3.49Å; H748-D837 PolarHBondContact CD2-O 2.85Å; H748-F838 HydrophobicContact CB-CD1 4.03Å; H748-F838 HydrophobicContact CB-CE1 3.73Å; H748-F838 HydrophobicContact CB-CZ 4.44Å; H748-F838 AromaticContact CD2-CE1 3.74Å; H748-F838 AromaticContact CD2-CE2 3.96Å; H748-F838 AromaticContact CD2-CZ 3.62Å; H748-F838 AromaticContact CG-CE1 3.98Å
749	I	92.8	Very high	86.6	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-53.9	-43.3	-174.9	-52.2	157.1	0	0	0	111.1	F747 S751 W752 L784 A785 D837 V839	F747-I749 HydrophobicContact CD1-CG1 4.41Å; F747-I749 PolarHBondContact O-N 3.3Å; I749-S751 PolarHBondContact O-N 3.21Å; I749-W752 WeakPolarHBondContact O-CB 3.32Å; I749-W752 PolarHBondContact O-N 3.11Å; I749-L784 HydrophobicContact CG2-CB 3.62Å; I749-L784 HydrophobicContact CG2-CD1 4.36Å; I749-A785 HydrophobicContact CD1-CB 3.66Å; I749-A785 HydrophobicContact CG1-CB 4.44Å; I749-D837 PolarHBondContact N-O 3.46Å; I749-V839 HydrophobicContact CD1-CG2 3.72Å; I749-V839 HydrophobicContact CG1-CG2 3.68Å
750	S	87.1	Confident	88.9	Confident	65 Å²	65	72 Å²	72	46%	0.455	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-72.3	-11.3	-172.3	-60.8	0	0	0	0	113.7	H748 D837	H748-S750 VanDerWaalsContact C-N 3.27Å; H748-S750 PolarHBondContact O-N 3.48Å; S750-D837 WeakPolarHBondContact CB-OD1 3.41Å; S750-D837 PolarHBondContact OG-OD1 3.02Å
751	S	89.8	Confident	91	Very high	85 Å²	85	74.1 Å²	74.1	59%	0.594	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-93.3	-6.9	166.1	63.7	0	0	0	0	114.5	H748 I749 N753	H748-S751 VanDerWaalsContact ND1-CB 3.27Å; H748-S751 WeakPolarHBondContact ND1-CB 3.23Å; H748-S751 PolarHBondContact ND1-OG 3.34Å; H748-S751 PolarHBondContact O-N 2.83Å; H748-S751 PolarHBondContact O-OG 3.38Å; I749-S751 PolarHBondContact O-N 3.21Å; S751-N753 PolarHBondContact O-N 2.68Å
752	W	93	Very high	92.4	Very high	54 Å²	54	71.3 Å²	71.3	21%	0.205	39%	0.39	C	S	.	.			trans	-88.6	101.6	-174.4	-173.6	43.8	0	0	0	112.2	F747 I749 P754 W759 L784 V787 A788	F747-W752 HydrophobicContact CE1-CB 3.87Å; F747-W752 AromaticContact CE1-CD2 3.94Å; F747-W752 HydrophobicContact CE1-CD2 3.94Å; F747-W752 AromaticContact CE1-CE3 3.94Å; F747-W752 HydrophobicContact CE1-CE3 3.94Å; F747-W752 AromaticContact CE1-CG 3.94Å; F747-W752 HydrophobicContact CE1-CG 3.94Å; F747-W752 HydrophobicContact CZ-CB 3.89Å; F747-W752 AromaticContact CZ-CD1 3.98Å; F747-W752 AromaticContact CZ-CD2 3.76Å; F747-W752 HydrophobicContact CZ-CD2 3.76Å; F747-W752 HydrophobicContact CZ-CE3 4.18Å; F747-W752 AromaticContact CZ-CG 3.61Å; F747-W752 HydrophobicContact CZ-CG 3.61Å; I749-W752 WeakPolarHBondContact O-CB 3.32Å; I749-W752 PolarHBondContact O-N 3.11Å; W752-P754 VanDerWaalsContact C-CD 3.5Å; W752-P754 HydrophobicContact CD2-CG 4.21Å; W752-P754 HydrophobicContact CH2-CG 4.46Å; W752-P754 HydrophobicContact CZ2-CB 4.03Å; W752-P754 HydrophobicContact CZ2-CG 3.95Å; W752-P754 VanDerWaalsContact O-CD 3.22Å; W752-P754 WeakPolarHBondContact O-CD 3.44Å; W752-W759 AromaticContact CH2-CE3 3.98Å; W752-W759 HydrophobicContact CH2-CE3 3.98Å; W752-W759 AromaticContact CH2-CZ3 3.64Å; W752-W759 HydrophobicContact CH2-CZ3 3.64Å; W752-W759 HydrophobicContact CZ2-CE3 4.47Å; W752-W759 AromaticContact CZ3-CZ3 3.9Å; W752-W759 HydrophobicContact CZ3-CZ3 3.9Å; W752-L784 HydrophobicContact CE3-CB 4.12Å; W752-L784 HydrophobicContact CE3-CD2 3.68Å; W752-L784 HydrophobicContact CE3-CG 4.45Å; W752-L784 HydrophobicContact CZ3-CB 4.18Å; W752-L784 HydrophobicContact CZ3-CD2 3.69Å; W752-L784 WeakPolarHBondContact CZ3-O 3.31Å; W752-V787 HydrophobicContact CH2-CB 4.31Å; W752-V787 HydrophobicContact CH2-CG1 3.91Å; W752-V787 HydrophobicContact CZ3-CB 4.48Å; W752-A788 HydrophobicContact CE3-CB 4.38Å; W752-A788 HydrophobicContact CZ3-CB 4.1Å
753	N	90.4	Very high	93	Very high	144 Å²	144	69.9 Å²	69.9	77%	0.77	38%	0.377	S	S	*	.			trans	-112.1	79.4	174	-169	27.1	0	0	0	110.9	S751	S751-N753 PolarHBondContact O-N 2.68Å
754	P	91.5	Very high	93.1	Very high	25 Å²	25	74.9 Å²	74.9	16%	0.162	40%	0.4	C	S	.	.			trans	-69	138.2	-177.9	27.4	-33.6	0	0	0	112	W752 N758 W759 L784	W752-P754 VanDerWaalsContact C-CD 3.5Å; W752-P754 HydrophobicContact CD2-CG 4.21Å; W752-P754 HydrophobicContact CH2-CG 4.46Å; W752-P754 HydrophobicContact CZ2-CB 4.03Å; W752-P754 HydrophobicContact CZ2-CG 3.95Å; W752-P754 VanDerWaalsContact O-CD 3.22Å; W752-P754 WeakPolarHBondContact O-CD 3.44Å; P754-N758 HydrophobicContact CB-CB 4.23Å; P754-W759 HydrophobicContact CB-CB 4.37Å; P754-W759 HydrophobicContact CG-CB 4.47Å; P754-W759 HydrophobicContact CG-CE3 3.88Å; P754-L784 HydrophobicContact CG-CD2 4.38Å
755	T	93.6	Very high	93.2	Very high	79 Å²	79	73.1 Å²	73.1	49%	0.485	40%	0.398	S	S	.	.			trans	-62.4	158.2	167	70	0	0	0	0	110.4	S757 N758 W759	T755-S757 PolarHBondContact O-N 3.42Å; T755-S757 VanDerWaalsContact O-N 3.15Å; T755-N758 PolarHBondContact O-N 3.39Å; T755-N758 WeakPolarHBondContact OG1-CB 3.42Å; T755-N758 PolarHBondContact OG1-N 2.91Å; T755-N758 PolarHBondContact OG1-OD1 2.92Å; T755-W759 WeakPolarHBondContact O-CB 3.44Å; T755-W759 PolarHBondContact O-N 3.49Å
756	A	90.4	Very high	93.1	Very high	87 Å²	87	70.3 Å²	70.3	72%	0.719	39%	0.388	S	S	*	.	H	α-helix	trans	-55.9	-33.9	178.2	0	0	0	0	0	113.2	K760	A756-K760 WeakPolarHBondContact O-CB 3.47Å; A756-K760 PolarHBondContact O-N 3.34Å
757	S	93	Very high	93	Very high	88 Å²	88	68.3 Å²	68.3	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-67.2	-50.1	173.6	-168.9	0	0	0	0	111.8	T755 W759 K760 H761	T755-S757 PolarHBondContact O-N 3.42Å; T755-S757 VanDerWaalsContact O-N 3.15Å; S757-W759 VanDerWaalsContact C-N 3.27Å; S757-W759 PolarHBondContact O-N 3.33Å; S757-K760 PolarHBondContact O-N 3.25Å; S757-H761 WeakPolarHBondContact O-CB 3.33Å; S757-H761 PolarHBondContact O-N 3.07Å
758	N	93.5	Very high	92.7	Very high	93 Å²	93	69.7 Å²	69.7	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-35.7	178.9	-65.1	10.1	0	0	0	111.6	P754 T755 S762	P754-N758 HydrophobicContact CB-CB 4.23Å; T755-N758 PolarHBondContact O-N 3.39Å; T755-N758 WeakPolarHBondContact OG1-CB 3.42Å; T755-N758 PolarHBondContact OG1-N 2.91Å; T755-N758 PolarHBondContact OG1-OD1 2.92Å; N758-S762 WeakPolarHBondContact O-CB 3.3Å; N758-S762 PolarHBondContact O-N 3.35Å; N758-S762 PolarHBondContact O-OG 2.79Å
759	W	93.8	Very high	92.4	Very high	70 Å²	70	69.8 Å²	69.8	27%	0.265	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-49.6	175	-177.5	-111.6	0	0	0	111.9	W752 P754 T755 S757 H761 S762 L763 V783 L784 V787	W752-W759 AromaticContact CH2-CE3 3.98Å; W752-W759 HydrophobicContact CH2-CE3 3.98Å; W752-W759 AromaticContact CH2-CZ3 3.64Å; W752-W759 HydrophobicContact CH2-CZ3 3.64Å; W752-W759 HydrophobicContact CZ2-CE3 4.47Å; W752-W759 AromaticContact CZ3-CZ3 3.9Å; W752-W759 HydrophobicContact CZ3-CZ3 3.9Å; P754-W759 HydrophobicContact CB-CB 4.37Å; P754-W759 HydrophobicContact CG-CB 4.47Å; P754-W759 HydrophobicContact CG-CE3 3.88Å; T755-W759 WeakPolarHBondContact O-CB 3.44Å; T755-W759 PolarHBondContact O-N 3.49Å; S757-W759 VanDerWaalsContact C-N 3.27Å; S757-W759 PolarHBondContact O-N 3.33Å; W759-H761 VanDerWaalsContact C-N 3.31Å; W759-H761 PolarHBondContact O-N 2.86Å; W759-S762 WeakPolarHBondContact O-CB 3.1Å; W759-S762 PolarHBondContact O-N 3.41Å; W759-S762 VanDerWaalsContact O-N 3.15Å; W759-L763 HydrophobicContact CZ2-CD1 4.49Å; W759-L763 HydrophobicContact CZ2-CD2 4.35Å; W759-L763 PolarHBondContact O-N 2.95Å; W759-L763 VanDerWaalsContact O-N 3.1Å; W759-V783 HydrophobicContact CH2-CG1 3.59Å; W759-V783 HydrophobicContact CZ2-CG1 3.64Å; W759-L784 HydrophobicContact CE3-CD2 4.39Å; W759-L784 HydrophobicContact CH2-CD2 4.22Å; W759-L784 HydrophobicContact CZ3-CD2 3.74Å; W759-V787 HydrophobicContact CH2-CB 3.97Å; W759-V787 HydrophobicContact CH2-CG1 4.4Å; W759-V787 HydrophobicContact CH2-CG2 3.48Å; W759-V787 VanDerWaalsContact CH2-CG2 3.48Å; W759-V787 HydrophobicContact CZ2-CG2 4.21Å; W759-V787 HydrophobicContact CZ3-CB 3.98Å; W759-V787 HydrophobicContact CZ3-CG1 4.05Å; W759-V787 HydrophobicContact CZ3-CG2 3.97Å
760	K	92.6	Very high	92.3	Very high	131 Å²	131	70.4 Å²	70.4	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-55.6	-47.8	174.7	-175.1	-179.7	-177.1	-94	0	111	A756 S757 S762 L763 E764	A756-K760 WeakPolarHBondContact O-CB 3.47Å; A756-K760 PolarHBondContact O-N 3.34Å; S757-K760 PolarHBondContact O-N 3.25Å; K760-S762 VanDerWaalsContact C-N 3.33Å; K760-S762 PolarHBondContact O-N 3.22Å; K760-L763 PolarHBondContact O-N 2.88Å; K760-L763 VanDerWaalsContact O-N 3.17Å; K760-E764 WeakPolarHBondContact CE-OE1 3.26Å; K760-E764 IonicContact NZ-OE1 2.66Å; K760-E764 PolarHBondContact NZ-OE1 3.07Å; K760-E764 WeakPolarHBondContact O-CG 3.38Å; K760-E764 PolarHBondContact O-N 2.99Å
761	H	95.3	Very high	92.5	Very high	112 Å²	112	69.5 Å²	69.5	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-35.4	178.9	-168	52.4	0	0	0	113	S757 W759 L763 E764 C765	S757-H761 WeakPolarHBondContact O-CB 3.33Å; S757-H761 PolarHBondContact O-N 3.07Å; W759-H761 VanDerWaalsContact C-N 3.31Å; W759-H761 PolarHBondContact O-N 2.86Å; H761-L763 VanDerWaalsContact C-N 3.31Å; H761-L763 PolarHBondContact O-N 2.94Å; H761-E764 IonicContact ND1-OE2 3.29Å; H761-E764 PolarHBondContact ND1-OE2 3.02Å; H761-E764 PolarHBondContact O-N 3.41Å; H761-C765 WeakPolarHBondContact O-CB 3.21Å; H761-C765 PolarHBondContact O-N 3.25Å; H761-C765 PolarHBondContact O-SG 2.98Å
762	S	95.2	Very high	92.4	Very high	16 Å²	16	71.9 Å²	71.9	11%	0.112	39%	0.388	C	S	.	.	H	α-helix	trans	-61.5	-38	173.8	-62.7	0	0	0	0	112.2	N758 W759 K760	N758-S762 WeakPolarHBondContact O-CB 3.3Å; N758-S762 PolarHBondContact O-N 3.35Å; N758-S762 PolarHBondContact O-OG 2.79Å; W759-S762 WeakPolarHBondContact O-CB 3.1Å; W759-S762 PolarHBondContact O-N 3.41Å; W759-S762 VanDerWaalsContact O-N 3.15Å; K760-S762 VanDerWaalsContact C-N 3.33Å; K760-S762 PolarHBondContact O-N 3.22Å
763	L	94.1	Very high	92	Very high	43 Å²	43	74.8 Å²	74.8	23%	0.225	40%	0.399	C	S	.	.	H	α-helix	trans	-73.7	-38.1	175	-63.1	178	0	0	0	112.4	W759 K760 H761 C765 I766 V771 V787	W759-L763 HydrophobicContact CZ2-CD1 4.49Å; W759-L763 HydrophobicContact CZ2-CD2 4.35Å; W759-L763 PolarHBondContact O-N 2.95Å; W759-L763 VanDerWaalsContact O-N 3.1Å; K760-L763 PolarHBondContact O-N 2.88Å; K760-L763 VanDerWaalsContact O-N 3.17Å; H761-L763 VanDerWaalsContact C-N 3.31Å; H761-L763 PolarHBondContact O-N 2.94Å; L763-C765 PolarHBondContact O-N 3.32Å; L763-I766 HydrophobicContact CD2-CD1 4.28Å; L763-I766 VanDerWaalsContact O-CG1 3.27Å; L763-I766 WeakPolarHBondContact O-CG1 3.2Å; L763-I766 PolarHBondContact O-N 3.25Å; L763-V771 HydrophobicContact CD2-CG1 4.47Å; L763-V787 HydrophobicContact CD2-CG2 3.68Å
764	E	94	Very high	91.9	Very high	113 Å²	113	68.2 Å²	68.2	53%	0.528	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-25.3	173.2	-70	167.5	173.1	0	0	112.8	K760 H761	K760-E764 WeakPolarHBondContact CE-OE1 3.26Å; K760-E764 IonicContact NZ-OE1 2.66Å; K760-E764 PolarHBondContact NZ-OE1 3.07Å; K760-E764 WeakPolarHBondContact O-CG 3.38Å; K760-E764 PolarHBondContact O-N 2.99Å; H761-E764 IonicContact ND1-OE2 3.29Å; H761-E764 PolarHBondContact ND1-OE2 3.02Å; H761-E764 PolarHBondContact O-N 3.41Å
765	C	94.8	Very high	91.5	Very high	31 Å²	31	70.3 Å²	70.3	21%	0.209	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.7	179.4	-72.1	0	0	0	0	114.7	H761 L763 L791 R794 W805	H761-C765 WeakPolarHBondContact O-CB 3.21Å; H761-C765 PolarHBondContact O-N 3.25Å; H761-C765 PolarHBondContact O-SG 2.98Å; L763-C765 PolarHBondContact O-N 3.32Å; C765-L791 HydrophobicContact CB-CD2 3.67Å; C765-R794 WeakPolarHBondContact O-CD 3.45Å; C765-R794 PolarHBondContact O-NE 3.41Å; C765-W805 HydrophobicContact CB-CZ2 3.99Å; C765-W805 WeakPolarHBondContact O-CZ2 3.41Å; C765-W805 PolarHBondContact O-NE1 3.48Å
766	I	93.8	Very high	91	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.056	39%	0.394	C	S	.	.	S	Bend	trans	-113.5	163	179.6	61.4	166.6	0	0	0	111.9	L763 V771 I774 R790 L791	L763-I766 HydrophobicContact CD2-CD1 4.28Å; L763-I766 VanDerWaalsContact O-CG1 3.27Å; L763-I766 WeakPolarHBondContact O-CG1 3.2Å; L763-I766 PolarHBondContact O-N 3.25Å; I766-V771 HydrophobicContact CD1-CG2 3.83Å; I766-V771 HydrophobicContact CG1-CG2 3.65Å; I766-I774 HydrophobicContact CD1-CD1 3.86Å; I766-R790 HydrophobicContact CB-CB 4.39Å; I766-R790 HydrophobicContact CG2-CB 3.69Å; I766-L791 HydrophobicContact CG2-CD2 3.84Å; I766-L791 HydrophobicContact CG2-CG 4.28Å
767	Q	92.5	Very high	90.6	Very high	38 Å²	38	69.3 Å²	69.3	18%	0.178	38%	0.377	C	S	.	.			trans	-67.6	138.3	-179.1	-79.7	164.4	-106.7	0	0	111.1	I769 E770 V771 L810	Q767-I769 VanDerWaalsContact C-N 3.29Å; Q767-I769 HydrophobicContact CB-CG2 4.35Å; Q767-I769 PolarHBondContact O-N 2.94Å; Q767-I769 VanDerWaalsContact O-N 3.15Å; Q767-E770 PolarHBondContact O-N 3.29Å; Q767-V771 PolarHBondContact O-N 3.49Å; Q767-L810 PolarHBondContact NE2-O 3.48Å
768	P	91	Very high	90	Very high	96 Å²	96	73.9 Å²	73.9	62%	0.623	39%	0.389	S	S	*	.	H	α-helix	trans	-52.4	-40.2	-176	-30.9	36	0	0	0	114.9	E770 V771 E772	P768-E770 PolarHBondContact O-N 2.86Å; P768-V771 WeakPolarHBondContact O-CA 3.33Å; P768-V771 WeakPolarHBondContact O-CB 3.34Å; P768-V771 PolarHBondContact O-N 2.95Å; P768-E772 PolarHBondContact O-N 2.77Å
769	I	88.2	Confident	89.4	Confident	80 Å²	80	72 Å²	72	41%	0.41	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-24.1	177.2	-171.2	57.6	0	0	0	113.8	Q767 R773	Q767-I769 VanDerWaalsContact C-N 3.29Å; Q767-I769 HydrophobicContact CB-CG2 4.35Å; Q767-I769 PolarHBondContact O-N 2.94Å; Q767-I769 VanDerWaalsContact O-N 3.15Å; I769-R773 WeakPolarHBondContact O-CD 3.27Å; I769-R773 VanDerWaalsContact O-CG 3.27Å; I769-R773 WeakPolarHBondContact O-CG 3.38Å; I769-R773 PolarHBondContact O-N 2.96Å
770	E	90.3	Very high	89	Confident	17 Å²	17	76.1 Å²	76.1	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-86.8	-28.1	171.8	-66.4	-69.8	134.2	0	0	111.7	Q767 P768 R773 I774 R790 R812	Q767-E770 PolarHBondContact O-N 3.29Å; P768-E770 PolarHBondContact O-N 2.86Å; E770-R773 PolarHBondContact O-N 2.59Å; E770-R773 WeakPolarHBondContact OE1-CD 3.49Å; E770-R773 IonicContact OE1-CZ 2.69Å; E770-R773 IonicContact OE1-NE 2.63Å; E770-R773 IonicContact OE1-NH1 2.66Å; E770-R773 PolarHBondContact OE1-NH1 3.19Å; E770-I774 WeakPolarHBondContact O-CB 3.31Å; E770-I774 WeakPolarHBondContact O-CD1 3.32Å; E770-I774 WeakPolarHBondContact O-CG1 3.46Å; E770-I774 PolarHBondContact O-N 3.4Å; E770-R790 IonicContact OE2-CZ 3.95Å; E770-R790 IonicContact OE2-NE 3.03Å; E770-R790 PolarHBondContact OE2-NE 2.94Å; E770-R790 IonicContact OE2-NH2 3.47Å; E770-R812 VanDerWaalsContact CD-NH2 3.32Å; E770-R812 IonicContact OE1-CZ 3.09Å; E770-R812 IonicContact OE1-NE 2.68Å; E770-R812 PolarHBondContact OE1-NE 3.03Å; E770-R812 IonicContact OE1-NH2 3.85Å; E770-R812 PolarHBondContact OE1-NH2 2.75Å; E770-R812 VanDerWaalsContact OE1-NH2 3.09Å; E770-R812 IonicContact OE2-CZ 3.17Å; E770-R812 IonicContact OE2-NH2 2.76Å; E770-R812 PolarHBondContact OE2-NH2 3.09Å
771	V	90.7	Very high	88.5	Confident	47 Å²	47	73.7 Å²	73.7	29%	0.285	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-46.2	168	-175.3	0	0	0	0	110.3	L763 I766 Q767 P768 R773 I774 G775	L763-V771 HydrophobicContact CD2-CG1 4.47Å; I766-V771 HydrophobicContact CD1-CG2 3.83Å; I766-V771 HydrophobicContact CG1-CG2 3.65Å; Q767-V771 PolarHBondContact O-N 3.49Å; P768-V771 WeakPolarHBondContact O-CA 3.33Å; P768-V771 WeakPolarHBondContact O-CB 3.34Å; P768-V771 PolarHBondContact O-N 2.95Å; V771-R773 PolarHBondContact O-N 3.3Å; V771-I774 PolarHBondContact O-N 3.16Å; V771-G775 PolarHBondContact O-N 3.4Å
772	E	87.6	Confident	88.2	Confident	134 Å²	134	72 Å²	72	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-59.8	-43	176.5	-70.7	173.4	176.3	0	0	112	P768 G775 A776	P768-E772 PolarHBondContact O-N 2.77Å; E772-G775 PolarHBondContact O-N 3.31Å; E772-A776 PolarHBondContact O-N 2.96Å
773	R	86.3	Confident	88.1	Confident	116 Å²	116	72.5 Å²	72.5	44%	0.438	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.5	-77.6	169.9	167	150.3	3.3	112.8	I769 E770 V771 A776	I769-R773 WeakPolarHBondContact O-CD 3.27Å; I769-R773 VanDerWaalsContact O-CG 3.27Å; I769-R773 WeakPolarHBondContact O-CG 3.38Å; I769-R773 PolarHBondContact O-N 2.96Å; E770-R773 PolarHBondContact O-N 2.59Å; E770-R773 WeakPolarHBondContact OE1-CD 3.49Å; E770-R773 IonicContact OE1-CZ 2.69Å; E770-R773 IonicContact OE1-NE 2.63Å; E770-R773 IonicContact OE1-NH1 2.66Å; E770-R773 PolarHBondContact OE1-NH1 3.19Å; V771-R773 PolarHBondContact O-N 3.3Å; R773-A776 PolarHBondContact O-N 3.49Å
774	I	88.5	Confident	88	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-70.1	-35.9	178.6	-67.6	166.3	0	0	0	110.5	I766 E770 V771 A776 M777 V783 A786 V787 R790	I766-I774 HydrophobicContact CD1-CD1 3.86Å; E770-I774 WeakPolarHBondContact O-CB 3.31Å; E770-I774 WeakPolarHBondContact O-CD1 3.32Å; E770-I774 WeakPolarHBondContact O-CG1 3.46Å; E770-I774 PolarHBondContact O-N 3.4Å; V771-I774 PolarHBondContact O-N 3.16Å; I774-A776 PolarHBondContact O-N 3.47Å; I774-A776 VanDerWaalsContact O-N 3.12Å; I774-M777 HydrophobicContact CG1-CE 4.34Å; I774-M777 HydrophobicContact CG1-SD 4.4Å; I774-M777 HydrophobicContact CG2-SD 4.46Å; I774-M777 WeakPolarHBondContact O-CB 3.3Å; I774-M777 PolarHBondContact O-N 3.44Å; I774-V783 HydrophobicContact CG2-CB 4.4Å; I774-V783 HydrophobicContact CG2-CG1 3.99Å; I774-V783 HydrophobicContact CG2-CG2 4.36Å; I774-A786 HydrophobicContact CD1-CB 3.85Å; I774-A786 HydrophobicContact CG1-CB 3.71Å; I774-V787 HydrophobicContact CD1-CG2 3.83Å; I774-V787 HydrophobicContact CG2-CG2 3.98Å; I774-R790 HydrophobicContact CD1-CG 4.49Å
775	G	82.5	Confident	88	Confident	69 Å²	69	66.1 Å²	66.1	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.9	174.6	0	0	0	0	0	115.7	V771 E772	V771-G775 PolarHBondContact O-N 3.4Å; E772-G775 PolarHBondContact O-N 3.31Å
776	A	81.9	Confident	87.9	Confident	69 Å²	69	64.9 Å²	64.9	57%	0.57	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.9	173.2	0	0	0	0	0	113.7	E772 R773 I774 Q778	E772-A776 PolarHBondContact O-N 2.96Å; R773-A776 PolarHBondContact O-N 3.49Å; I774-A776 PolarHBondContact O-N 3.47Å; I774-A776 VanDerWaalsContact O-N 3.12Å; A776-Q778 PolarHBondContact O-NE2 2.97Å
777	M	83.9	Confident	88	Confident	76 Å²	76	64.4 Å²	64.4	37%	0.374	35%	0.349	S	S	.	.			trans	-73.8	137.1	-176.8	-62.7	174.7	176.1	0	0	111.4	I774 D782 V783 A786	I774-M777 HydrophobicContact CG1-CE 4.34Å; I774-M777 HydrophobicContact CG1-SD 4.4Å; I774-M777 HydrophobicContact CG2-SD 4.46Å; I774-M777 WeakPolarHBondContact O-CB 3.3Å; I774-M777 PolarHBondContact O-N 3.44Å; M777-D782 HydrophobicContact SD-CB 4.34Å; M777-V783 HydrophobicContact CB-CG2 3.62Å; M777-V783 HydrophobicContact SD-CG2 4.49Å; M777-A786 HydrophobicContact CE-CB 3.89Å; M777-A786 HydrophobicContact SD-CB 3.92Å
778	Q	79.3	Confident	88.2	Confident	184 Å²	184	62.7 Å²	62.7	86%	0.86	34%	0.342	S	S	*	.			trans	-92.6	-26	-176.6	-56.3	-58.9	-62.6	0	0	113.3	A776	A776-Q778 PolarHBondContact O-NE2 2.97Å
779	C	81.4	Confident	88.4	Confident	54 Å²	54	58.3 Å²	58.3	37%	0.365	31%	0.314	S	S	.	.			trans	-90.2	128	-178.1	-179.5	0	0	0	0	111.3	Q781 D782 V783	C779-Q781 VanDerWaalsContact C-N 3.27Å; C779-Q781 PolarHBondContact O-N 3Å; C779-Q781 PolarHBondContact SG-N 3.44Å; C779-D782 HydrophobicContact CB-CB 4.07Å; C779-D782 WeakPolarHBondContact CB-OD2 3.47Å; C779-D782 PolarHBondContact O-N 2.98Å; C779-V783 WeakPolarHBondContact O-CG2 3.35Å; C779-V783 PolarHBondContact O-N 3.36Å
780	K	84.4	Confident	88.7	Confident	156 Å²	156	56.3 Å²	56.3	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-58	-38.5	176	-175.2	-175	176.1	-170.6	0	112.3	V783 L784	K780-V783 PolarHBondContact O-N 3.22Å; K780-L784 HydrophobicContact CG-CD1 4.25Å; K780-L784 VanDerWaalsContact O-CG 3.31Å; K780-L784 WeakPolarHBondContact O-CG 3.49Å; K780-L784 PolarHBondContact O-N 3.38Å
781	Q	83.9	Confident	89	Confident	80 Å²	80	57.2 Å²	57.2	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-68.7	-40.9	-177.8	-169.2	159.9	-4.8	0	0	111.4	C779 L784 A785 G836	C779-Q781 VanDerWaalsContact C-N 3.27Å; C779-Q781 PolarHBondContact O-N 3Å; C779-Q781 PolarHBondContact SG-N 3.44Å; Q781-L784 PolarHBondContact O-N 3.18Å; Q781-A785 WeakPolarHBondContact O-CB 3.27Å; Q781-A785 PolarHBondContact O-N 3.37Å; Q781-G836 PolarHBondContact NE2-O 2.65Å
782	D	88.7	Confident	89.3	Confident	75 Å²	75	55.9 Å²	55.9	40%	0.401	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-40.8	175	-58.5	-21.4	0	0	0	111.7	M777 C779 L784 A785 A786	M777-D782 HydrophobicContact SD-CB 4.34Å; C779-D782 HydrophobicContact CB-CB 4.07Å; C779-D782 WeakPolarHBondContact CB-OD2 3.47Å; C779-D782 PolarHBondContact O-N 2.98Å; D782-L784 PolarHBondContact O-N 3.48Å; D782-A785 PolarHBondContact O-N 3.41Å; D782-A786 VanDerWaalsContact O-CB 3.23Å; D782-A786 WeakPolarHBondContact O-CB 3.39Å; D782-A786 PolarHBondContact O-N 3.48Å
783	V	91.4	Very high	89.6	Confident	27 Å²	27	49.5 Å²	49.5	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-45.7	174	166	0	0	0	0	111.3	W759 I774 M777 C779 K780 V787	W759-V783 HydrophobicContact CH2-CG1 3.59Å; W759-V783 HydrophobicContact CZ2-CG1 3.64Å; I774-V783 HydrophobicContact CG2-CB 4.4Å; I774-V783 HydrophobicContact CG2-CG1 3.99Å; I774-V783 HydrophobicContact CG2-CG2 4.36Å; M777-V783 HydrophobicContact CB-CG2 3.62Å; M777-V783 HydrophobicContact SD-CG2 4.49Å; C779-V783 WeakPolarHBondContact O-CG2 3.35Å; C779-V783 PolarHBondContact O-N 3.36Å; K780-V783 PolarHBondContact O-N 3.22Å; V783-V787 WeakPolarHBondContact O-CG2 3.38Å; V783-V787 PolarHBondContact O-N 3.07Å; V783-V787 VanDerWaalsContact O-N 3.14Å
784	L	92.9	Very high	90	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-47	176.4	-68.7	171	0	0	0	111.5	I749 W752 P754 W759 K780 Q781 D782 A786 V787 A788	I749-L784 HydrophobicContact CG2-CB 3.62Å; I749-L784 HydrophobicContact CG2-CD1 4.36Å; W752-L784 HydrophobicContact CE3-CB 4.12Å; W752-L784 HydrophobicContact CE3-CD2 3.68Å; W752-L784 HydrophobicContact CE3-CG 4.45Å; W752-L784 HydrophobicContact CZ3-CB 4.18Å; W752-L784 HydrophobicContact CZ3-CD2 3.69Å; W752-L784 WeakPolarHBondContact CZ3-O 3.31Å; P754-L784 HydrophobicContact CG-CD2 4.38Å; W759-L784 HydrophobicContact CE3-CD2 4.39Å; W759-L784 HydrophobicContact CH2-CD2 4.22Å; W759-L784 HydrophobicContact CZ3-CD2 3.74Å; K780-L784 HydrophobicContact CG-CD1 4.25Å; K780-L784 VanDerWaalsContact O-CG 3.31Å; K780-L784 WeakPolarHBondContact O-CG 3.49Å; K780-L784 PolarHBondContact O-N 3.38Å; Q781-L784 PolarHBondContact O-N 3.18Å; D782-L784 PolarHBondContact O-N 3.48Å; L784-A786 VanDerWaalsContact C-N 3.32Å; L784-A786 PolarHBondContact O-N 2.9Å; L784-V787 PolarHBondContact O-N 2.93Å; L784-A788 VanDerWaalsContact O-CB 3.32Å; L784-A788 WeakPolarHBondContact O-CB 3.48Å; L784-A788 PolarHBondContact O-N 3Å
785	A	93.7	Very high	90.3	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-43.2	178.3	0	0	0	0	0	112	I749 Q781 D782 G789 H834 V839	I749-A785 HydrophobicContact CD1-CB 3.66Å; I749-A785 HydrophobicContact CG1-CB 4.44Å; Q781-A785 WeakPolarHBondContact O-CB 3.27Å; Q781-A785 PolarHBondContact O-N 3.37Å; D782-A785 PolarHBondContact O-N 3.41Å; A785-G789 PolarHBondContact O-N 3.38Å; A785-H834 HydrophobicContact CB-CB 4.13Å; A785-V839 HydrophobicContact CB-CG2 4.28Å
786	A	93.4	Very high	90.8	Very high	5 Å²	5	47 Å²	47	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-68.4	-42.9	179.9	0	0	0	0	0	112.5	I774 M777 D782 L784 G789 R790	I774-A786 HydrophobicContact CD1-CB 3.85Å; I774-A786 HydrophobicContact CG1-CB 3.71Å; M777-A786 HydrophobicContact CE-CB 3.89Å; M777-A786 HydrophobicContact SD-CB 3.92Å; D782-A786 VanDerWaalsContact O-CB 3.23Å; D782-A786 WeakPolarHBondContact O-CB 3.39Å; D782-A786 PolarHBondContact O-N 3.48Å; L784-A786 VanDerWaalsContact C-N 3.32Å; L784-A786 PolarHBondContact O-N 2.9Å; A786-G789 PolarHBondContact O-N 2.92Å; A786-R790 VanDerWaalsContact O-CG 3.29Å; A786-R790 WeakPolarHBondContact O-CG 3.33Å; A786-R790 PolarHBondContact O-N 2.86Å
787	V	95.1	Very high	91.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-50.3	175.9	174.9	0	0	0	0	110.9	W752 W759 L763 I774 V783 L784 G789 R790 L791	W752-V787 HydrophobicContact CH2-CB 4.31Å; W752-V787 HydrophobicContact CH2-CG1 3.91Å; W752-V787 HydrophobicContact CZ3-CB 4.48Å; W759-V787 HydrophobicContact CH2-CB 3.97Å; W759-V787 HydrophobicContact CH2-CG1 4.4Å; W759-V787 HydrophobicContact CH2-CG2 3.48Å; W759-V787 VanDerWaalsContact CH2-CG2 3.48Å; W759-V787 HydrophobicContact CZ2-CG2 4.21Å; W759-V787 HydrophobicContact CZ3-CB 3.98Å; W759-V787 HydrophobicContact CZ3-CG1 4.05Å; W759-V787 HydrophobicContact CZ3-CG2 3.97Å; L763-V787 HydrophobicContact CD2-CG2 3.68Å; I774-V787 HydrophobicContact CD1-CG2 3.83Å; I774-V787 HydrophobicContact CG2-CG2 3.98Å; V783-V787 WeakPolarHBondContact O-CG2 3.38Å; V783-V787 PolarHBondContact O-N 3.07Å; V783-V787 VanDerWaalsContact O-N 3.14Å; L784-V787 PolarHBondContact O-N 2.93Å; V787-G789 VanDerWaalsContact C-N 3.26Å; V787-G789 PolarHBondContact O-N 2.97Å; V787-R790 PolarHBondContact O-N 3.29Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 HydrophobicContact CG1-CG 4.49Å; V787-L791 WeakPolarHBondContact O-CG 3.27Å; V787-L791 PolarHBondContact O-N 3.35Å
788	A	96.2	Very high	91.5	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-45.8	176.6	0	0	0	0	0	111	F747 W752 L784 R790 L791 M792 V839	F747-A788 HydrophobicContact CD1-CB 3.62Å; F747-A788 HydrophobicContact CE1-CB 3.59Å; F747-A788 HydrophobicContact CG-CB 4.35Å; F747-A788 HydrophobicContact CZ-CB 4.3Å; W752-A788 HydrophobicContact CE3-CB 4.38Å; W752-A788 HydrophobicContact CZ3-CB 4.1Å; L784-A788 VanDerWaalsContact O-CB 3.32Å; L784-A788 WeakPolarHBondContact O-CB 3.48Å; L784-A788 PolarHBondContact O-N 3Å; A788-R790 PolarHBondContact O-N 3.33Å; A788-L791 PolarHBondContact O-N 3.27Å; A788-M792 VanDerWaalsContact O-CG 3.3Å; A788-M792 WeakPolarHBondContact O-CG 3.38Å; A788-M792 PolarHBondContact O-N 3.48Å; A788-V839 HydrophobicContact CB-CG2 4.19Å
789	G	95.9	Very high	91.8	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-41.8	178	0	0	0	0	0	114	A785 A786 V787 L791 M792 L793 I832	A785-G789 PolarHBondContact O-N 3.38Å; A786-G789 PolarHBondContact O-N 2.92Å; V787-G789 VanDerWaalsContact C-N 3.26Å; V787-G789 PolarHBondContact O-N 2.97Å; G789-L791 VanDerWaalsContact C-N 3.33Å; G789-L791 PolarHBondContact O-N 3.17Å; G789-M792 PolarHBondContact O-N 2.91Å; G789-L793 WeakPolarHBondContact O-CB 3.37Å; G789-L793 PolarHBondContact O-N 3.08Å; G789-I832 WeakPolarHBondContact O-CD1 3.44Å
790	R	95.4	Very high	91.8	Very high	38 Å²	38	35.3 Å²	35.3	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-33.9	176.1	-66.6	-65.2	167.2	-94	-28.9	112.3	I766 E770 I774 A786 V787 A788 R794	I766-R790 HydrophobicContact CB-CB 4.39Å; I766-R790 HydrophobicContact CG2-CB 3.69Å; E770-R790 IonicContact OE2-CZ 3.95Å; E770-R790 IonicContact OE2-NE 3.03Å; E770-R790 PolarHBondContact OE2-NE 2.94Å; E770-R790 IonicContact OE2-NH2 3.47Å; I774-R790 HydrophobicContact CD1-CG 4.49Å; A786-R790 VanDerWaalsContact O-CG 3.29Å; A786-R790 WeakPolarHBondContact O-CG 3.33Å; A786-R790 PolarHBondContact O-N 2.86Å; V787-R790 PolarHBondContact O-N 3.29Å; A788-R790 PolarHBondContact O-N 3.33Å; R790-R794 WeakPolarHBondContact O-CG 3.23Å; R790-R794 PolarHBondContact O-N 2.93Å; R790-R794 VanDerWaalsContact O-N 3.11Å
791	L	96.5	Very high	91.6	Very high	37 Å²	37	29 Å²	29	19%	0.194	15%	0.146	C	C	.	.	H	α-helix	trans	-68.2	-46.8	173.5	-66.5	175.3	0	0	0	112.2	C765 I766 V787 A788 G789 L793 R794 K795 W805	C765-L791 HydrophobicContact CB-CD2 3.67Å; I766-L791 HydrophobicContact CG2-CD2 3.84Å; I766-L791 HydrophobicContact CG2-CG 4.28Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 HydrophobicContact CG1-CG 4.49Å; V787-L791 WeakPolarHBondContact O-CG 3.27Å; V787-L791 PolarHBondContact O-N 3.35Å; A788-L791 PolarHBondContact O-N 3.27Å; G789-L791 VanDerWaalsContact C-N 3.33Å; G789-L791 PolarHBondContact O-N 3.17Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 3.42Å; L791-R794 PolarHBondContact O-N 3.49Å; L791-K795 VanDerWaalsContact O-CB 3.32Å; L791-K795 WeakPolarHBondContact O-CB 3.49Å; L791-K795 PolarHBondContact O-N 3.24Å; L791-W805 HydrophobicContact CD2-CH2 4.26Å; L791-W805 HydrophobicContact CD2-CZ2 3.97Å
792	M	96.6	Very high	91.5	Very high	18 Å²	18	28 Å²	28	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-46.9	174.5	-69.8	167.6	79.4	0	0	111	W745 F747 A788 G789 K795 A796 I832 V839 L841	W745-M792 HydrophobicContact CB-CE 3.93Å; W745-M792 WeakPolarHBondContact O-CE 3.46Å; F747-M792 HydrophobicContact CB-CE 3.93Å; F747-M792 HydrophobicContact CB-SD 3.53Å; F747-M792 VanDerWaalsContact CB-SD 3.53Å; F747-M792 HydrophobicContact CG-SD 4.29Å; A788-M792 VanDerWaalsContact O-CG 3.3Å; A788-M792 WeakPolarHBondContact O-CG 3.38Å; A788-M792 PolarHBondContact O-N 3.48Å; G789-M792 PolarHBondContact O-N 2.91Å; M792-K795 PolarHBondContact O-N 3.42Å; M792-A796 WeakPolarHBondContact O-CB 3.28Å; M792-A796 PolarHBondContact O-N 3.11Å; M792-I832 HydrophobicContact CB-CD1 4.29Å; M792-V839 HydrophobicContact CE-CB 4.46Å; M792-V839 HydrophobicContact CE-CG1 4.31Å; M792-V839 HydrophobicContact SD-CB 3.84Å; M792-V839 HydrophobicContact SD-CG1 3.69Å; M792-L841 HydrophobicContact CB-CD1 4.07Å; M792-L841 HydrophobicContact CE-CB 3.95Å
793	L	94.6	Very high	91.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-49.1	-179.5	-169.4	65.3	0	0	0	112.3	G789 L791 I797 L810 P818 F830 I832 L841	G789-L793 WeakPolarHBondContact O-CB 3.37Å; G789-L793 PolarHBondContact O-N 3.08Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 3.42Å; L793-I797 HydrophobicContact CD1-CD1 4.16Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 WeakPolarHBondContact O-CD1 3.1Å; L793-I797 VanDerWaalsContact O-CG1 3.29Å; L793-I797 WeakPolarHBondContact O-CG1 3.35Å; L793-I797 PolarHBondContact O-N 3.45Å; L793-L810 HydrophobicContact CD2-CD1 3.59Å; L793-L810 HydrophobicContact CG-CD1 4.04Å; L793-P818 HydrophobicContact CD2-CB 3.91Å; L793-P818 HydrophobicContact CD2-CG 4.25Å; L793-F830 HydrophobicContact CD1-CD2 3.47Å; L793-F830 VanDerWaalsContact CD1-CD2 3.47Å; L793-F830 HydrophobicContact CD1-CE2 3.94Å; L793-F830 HydrophobicContact CD1-CG 4.21Å; L793-I832 HydrophobicContact CB-CD1 4.45Å; L793-L841 HydrophobicContact CB-CD1 4.46Å; L793-L841 HydrophobicContact CD1-CD1 4.28Å
794	R	94.5	Very high	91.3	Very high	15 Å²	15	27.1 Å²	27.1	6%	0.057	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-43.8	176.3	-68.9	-177.2	77.9	75.3	2.3	111.6	C765 R790 L791 I797 C798 W805 L808	C765-R794 WeakPolarHBondContact O-CD 3.45Å; C765-R794 PolarHBondContact O-NE 3.41Å; R790-R794 WeakPolarHBondContact O-CG 3.23Å; R790-R794 PolarHBondContact O-N 2.93Å; R790-R794 VanDerWaalsContact O-N 3.11Å; L791-R794 PolarHBondContact O-N 3.49Å; R794-I797 PolarHBondContact O-N 3.04Å; R794-C798 WeakPolarHBondContact O-CB 3.29Å; R794-C798 PolarHBondContact O-N 3.25Å; R794-C798 PolarHBondContact O-SG 3.35Å; R794-W805 HydrophobicContact CB-CD2 4.37Å; R794-W805 HydrophobicContact CB-CE3 4.23Å; R794-W805 HydrophobicContact CB-CH2 3.51Å; R794-W805 HydrophobicContact CB-CZ2 3.62Å; R794-W805 HydrophobicContact CB-CZ3 3.83Å; R794-W805 HydrophobicContact CG-CZ2 4.31Å; R794-W805 PolarHBondContact NH2-O 2.91Å; R794-L808 HydrophobicContact CB-CD1 4.34Å; R794-L808 HydrophobicContact CG-CD2 4.28Å; R794-L808 VanDerWaalsContact CZ-O 3.29Å; R794-L808 PolarHBondContact NH1-O 3.02Å; R794-L808 PolarHBondContact NH2-O 3.11Å; R794-L808 WeakPolarHBondContact O-CD1 3.44Å
795	K	94.8	Very high	91.3	Very high	122 Å²	122	30.3 Å²	30.3	53%	0.53	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-45.2	178.5	-175.1	-171.1	166.8	68	0	112.3	W745 L791 M792 F799 W805	W745-K795 HydrophobicContact CH2-CB 4.33Å; W745-K795 HydrophobicContact CH2-CD 3.82Å; W745-K795 HydrophobicContact CH2-CG 3.76Å; W745-K795 HydrophobicContact CZ3-CB 3.97Å; W745-K795 HydrophobicContact CZ3-CD 3.75Å; W745-K795 HydrophobicContact CZ3-CG 3.83Å; L791-K795 VanDerWaalsContact O-CB 3.32Å; L791-K795 WeakPolarHBondContact O-CB 3.49Å; L791-K795 PolarHBondContact O-N 3.24Å; M792-K795 PolarHBondContact O-N 3.42Å; K795-F799 WeakPolarHBondContact O-CB 3.39Å; K795-F799 PolarHBondContact O-N 3.27Å; K795-W805 HydrophobicContact CB-CH2 4.44Å; K795-W805 HydrophobicContact CB-CZ3 3.94Å
796	A	92.4	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-45.7	179.8	0	0	0	0	0	111.7	L743 W745 M792 F799 G800 Y828 L841 A843	L743-A796 HydrophobicContact CD1-CB 3.73Å; W745-A796 HydrophobicContact CE3-CB 4.31Å; W745-A796 HydrophobicContact CH2-CB 4.15Å; W745-A796 HydrophobicContact CZ3-CB 3.72Å; M792-A796 WeakPolarHBondContact O-CB 3.28Å; M792-A796 PolarHBondContact O-N 3.11Å; A796-F799 WeakPolarHBondContact O-CB 3.29Å; A796-F799 PolarHBondContact O-N 2.98Å; A796-G800 PolarHBondContact O-N 3.2Å; A796-Y828 PolarHBondContact O-OH 3.44Å; A796-L841 HydrophobicContact CB-CD1 3.78Å; A796-L841 HydrophobicContact CB-CD2 3.68Å; A796-L841 HydrophobicContact CB-CG 4.42Å; A796-A843 HydrophobicContact CB-CB 4.39Å
797	I	90.2	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70	-43.7	-179.7	-64.5	163.7	0	0	0	111	L793 R794 F799 G800 T801 L808 L810 L820 F830	L793-I797 HydrophobicContact CD1-CD1 4.16Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 WeakPolarHBondContact O-CD1 3.1Å; L793-I797 VanDerWaalsContact O-CG1 3.29Å; L793-I797 WeakPolarHBondContact O-CG1 3.35Å; L793-I797 PolarHBondContact O-N 3.45Å; R794-I797 PolarHBondContact O-N 3.04Å; I797-F799 PolarHBondContact O-N 2.71Å; I797-G800 PolarHBondContact O-N 3.32Å; I797-T801 HydrophobicContact CG2-CG2 3.89Å; I797-T801 VanDerWaalsContact O-CB 3.3Å; I797-T801 WeakPolarHBondContact O-CB 3.29Å; I797-T801 WeakPolarHBondContact O-CG2 3.36Å; I797-T801 PolarHBondContact O-N 3.19Å; I797-T801 PolarHBondContact O-OG1 3.23Å; I797-L808 HydrophobicContact CB-CD1 3.8Å; I797-L808 HydrophobicContact CG2-CD1 3.65Å; I797-L808 HydrophobicContact CG2-CG 4.04Å; I797-L810 HydrophobicContact CD1-CD2 3.71Å; I797-L820 HydrophobicContact CG2-CD1 4.31Å; I797-L820 HydrophobicContact CG2-CD2 4.39Å; I797-F830 HydrophobicContact CD1-CD1 3.66Å; I797-F830 HydrophobicContact CD1-CD2 3.98Å; I797-F830 HydrophobicContact CD1-CE1 3.39Å; I797-F830 HydrophobicContact CD1-CE2 3.72Å; I797-F830 HydrophobicContact CD1-CG 3.93Å; I797-F830 HydrophobicContact CD1-CZ 3.4Å; I797-F830 VanDerWaalsContact CD1-CZ 3.4Å; I797-F830 HydrophobicContact CG1-CD1 3.55Å; I797-F830 HydrophobicContact CG1-CE1 3.68Å; I797-F830 HydrophobicContact CG1-CG 4Å; I797-F830 HydrophobicContact CG1-CZ 4.22Å
798	C	90.1	Very high	90.3	Very high	23 Å²	23	47.1 Å²	47.1	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-55.1	-41.5	172.1	-79.7	0	0	0	0	111.9	R794 G802 L803 L808	R794-C798 WeakPolarHBondContact O-CB 3.29Å; R794-C798 PolarHBondContact O-N 3.25Å; R794-C798 PolarHBondContact O-SG 3.35Å; C798-G802 WeakPolarHBondContact O-CA 3.47Å; C798-G802 PolarHBondContact O-N 2.85Å; C798-L803 WeakPolarHBondContact CA-O 3.47Å; C798-L803 PolarHBondContact SG-O 2.71Å; C798-L808 HydrophobicContact CB-CD1 4.49Å; C798-L808 WeakPolarHBondContact SG-CD1 3.37Å
799	F	86.4	Confident	90	Very high	99 Å²	99	50.3 Å²	50.3	43%	0.434	25%	0.254	S	S	.	.	H	α-helix	trans	-66.6	-50.5	179.1	-174.4	-95.3	0	0	0	112.6	E741 L743 K795 A796 I797	E741-F799 HydrophobicContact CB-CE1 4.29Å; E741-F799 VanDerWaalsContact OE2-CZ 3.3Å; E741-F799 WeakPolarHBondContact OE2-CZ 3.39Å; L743-F799 HydrophobicContact CD1-CD1 4.22Å; L743-F799 HydrophobicContact CD2-CD1 4.14Å; L743-F799 HydrophobicContact CD2-CE1 4.09Å; K795-F799 WeakPolarHBondContact O-CB 3.39Å; K795-F799 PolarHBondContact O-N 3.27Å; A796-F799 WeakPolarHBondContact O-CB 3.29Å; A796-F799 PolarHBondContact O-N 2.98Å; I797-F799 PolarHBondContact O-N 2.71Å
800	G	80.7	Confident	89.7	Confident	16 Å²	16	51.2 Å²	51.2	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-79.3	-21.9	-176.2	0	0	0	0	0	115.9	A796 I797	A796-G800 PolarHBondContact O-N 3.2Å; I797-G800 PolarHBondContact O-N 3.32Å
801	T	80.9	Confident	89.4	Confident	23 Å²	23	52 Å²	52	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-106.8	-18.2	-178.2	69.8	0	0	0	0	113.9	I797 L803 I826 Y828	I797-T801 HydrophobicContact CG2-CG2 3.89Å; I797-T801 VanDerWaalsContact O-CB 3.3Å; I797-T801 WeakPolarHBondContact O-CB 3.29Å; I797-T801 WeakPolarHBondContact O-CG2 3.36Å; I797-T801 PolarHBondContact O-N 3.19Å; I797-T801 PolarHBondContact O-OG1 3.23Å; T801-L803 PolarHBondContact O-N 2.58Å; T801-L803 WeakPolarHBondContact OG1-CG 3.46Å; T801-L803 PolarHBondContact OG1-N 2.82Å; T801-I826 HydrophobicContact CG2-CG2 3.67Å; T801-Y828 HydrophobicContact CG2-CD1 3.97Å; T801-Y828 HydrophobicContact CG2-CG 4.03Å
802	G	82.2	Confident	88.8	Confident	60 Å²	60	54.3 Å²	54.3	62%	0.619	27%	0.274	S	S	*	.			trans	74.6	-0.3	-174.5	0	0	0	0	0	115.3	C798	C798-G802 WeakPolarHBondContact O-CA 3.47Å; C798-G802 PolarHBondContact O-N 2.85Å
803	L	85.6	Confident	88	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.157	29%	0.286	C	S	.	.			trans	-63.7	139.6	173.8	-66.8	173.5	0	0	0	110.9	C798 T801 L820 I826	C798-L803 WeakPolarHBondContact CA-O 3.47Å; C798-L803 PolarHBondContact SG-O 2.71Å; T801-L803 PolarHBondContact O-N 2.58Å; T801-L803 WeakPolarHBondContact OG1-CG 3.46Å; T801-L803 PolarHBondContact OG1-N 2.82Å; L803-L820 HydrophobicContact CD1-CD1 4.14Å; L803-L820 HydrophobicContact CD1-CD2 3.91Å; L803-I826 HydrophobicContact CD1-CD1 4.35Å; L803-I826 HydrophobicContact CG-CD1 4.49Å
804	S	89.5	Confident	87.1	Confident	53 Å²	53	62.5 Å²	62.5	37%	0.371	32%	0.323	S	S	.	.			trans	-70	158.5	174	77.6	0	0	0	0	111.7	R806 E807 L808	S804-R806 PolarHBondContact O-N 2.85Å; S804-R806 PolarHBondContact OG-N 3.47Å; S804-E807 WeakPolarHBondContact CA-OE2 3.31Å; S804-E807 WeakPolarHBondContact CB-OE2 3.38Å; S804-E807 PolarHBondContact N-OE2 2.95Å; S804-E807 PolarHBondContact O-N 3.3Å; S804-E807 VanDerWaalsContact OG-CD 3.25Å; S804-E807 WeakPolarHBondContact OG-CG 3.19Å; S804-E807 PolarHBondContact OG-N 3.09Å; S804-E807 PolarHBondContact OG-OE2 2.85Å; S804-L808 PolarHBondContact O-N 2.87Å; S804-L808 VanDerWaalsContact O-N 3.16Å
805	W	92.2	Very high	86	Confident	89 Å²	89	65.5 Å²	65.5	34%	0.337	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.5	178.5	-163.7	-79.3	0	0	0	113.5	C765 L791 R794 K795	C765-W805 HydrophobicContact CB-CZ2 3.99Å; C765-W805 WeakPolarHBondContact O-CZ2 3.41Å; C765-W805 PolarHBondContact O-NE1 3.48Å; L791-W805 HydrophobicContact CD2-CH2 4.26Å; L791-W805 HydrophobicContact CD2-CZ2 3.97Å; R794-W805 HydrophobicContact CB-CD2 4.37Å; R794-W805 HydrophobicContact CB-CE3 4.23Å; R794-W805 HydrophobicContact CB-CH2 3.51Å; R794-W805 HydrophobicContact CB-CZ2 3.62Å; R794-W805 HydrophobicContact CB-CZ3 3.83Å; R794-W805 HydrophobicContact CG-CZ2 4.31Å; R794-W805 PolarHBondContact NH2-O 2.91Å; K795-W805 HydrophobicContact CB-CH2 4.44Å; K795-W805 HydrophobicContact CB-CZ3 3.94Å
806	R	88.7	Confident	85.3	Confident	237 Å²	237	61 Å²	61	89%	0.894	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-32.2	178.3	-68.3	-176.9	178.3	173.6	-0.3	113.2	S804	S804-R806 PolarHBondContact O-N 2.85Å; S804-R806 PolarHBondContact OG-N 3.47Å
807	E	85.4	Confident	85	Confident	122 Å²	122	62.9 Å²	62.9	57%	0.57	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-28.8	178.3	-66	155.6	136.7	0	0	112.2	S804 T809	S804-E807 WeakPolarHBondContact CA-OE2 3.31Å; S804-E807 WeakPolarHBondContact CB-OE2 3.38Å; S804-E807 PolarHBondContact N-OE2 2.95Å; S804-E807 PolarHBondContact O-N 3.3Å; S804-E807 VanDerWaalsContact OG-CD 3.25Å; S804-E807 WeakPolarHBondContact OG-CG 3.19Å; S804-E807 PolarHBondContact OG-N 3.09Å; S804-E807 PolarHBondContact OG-OE2 2.85Å; E807-T809 PolarHBondContact O-N 3.33Å; E807-T809 PolarHBondContact O-OG1 2.83Å
808	L	88	Confident	84.9	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.344	C	S	.	.			trans	-63.4	103.7	-176.7	-165.7	170.7	0	0	0	111.7	R794 I797 C798 S804 L810 L820	R794-L808 HydrophobicContact CB-CD1 4.34Å; R794-L808 HydrophobicContact CG-CD2 4.28Å; R794-L808 VanDerWaalsContact CZ-O 3.29Å; R794-L808 PolarHBondContact NH1-O 3.02Å; R794-L808 PolarHBondContact NH2-O 3.11Å; R794-L808 WeakPolarHBondContact O-CD1 3.44Å; I797-L808 HydrophobicContact CB-CD1 3.8Å; I797-L808 HydrophobicContact CG2-CD1 3.65Å; I797-L808 HydrophobicContact CG2-CG 4.04Å; C798-L808 HydrophobicContact CB-CD1 4.49Å; C798-L808 WeakPolarHBondContact SG-CD1 3.37Å; S804-L808 PolarHBondContact O-N 2.87Å; S804-L808 VanDerWaalsContact O-N 3.16Å; L808-L810 HydrophobicContact CD2-CD1 4.39Å; L808-L810 HydrophobicContact CD2-CD2 3.74Å; L808-L810 HydrophobicContact CD2-CG 3.66Å; L808-L820 HydrophobicContact CD2-CD1 4.47Å; L808-L820 HydrophobicContact CG-CD1 4.33Å
809	T	89.6	Confident	84.8	Confident	70 Å²	70	64.3 Å²	64.3	43%	0.429	35%	0.346	S	S	.	.			trans	-111.2	111.6	175.7	-59.1	0	0	0	0	109.9	E807 S821	E807-T809 PolarHBondContact O-N 3.33Å; E807-T809 PolarHBondContact O-OG1 2.83Å; T809-S821 VanDerWaalsContact O-CB 3.23Å; T809-S821 WeakPolarHBondContact O-CB 3.39Å; T809-S821 PolarHBondContact O-N 3.19Å
810	L	89.9	Confident	84.8	Confident	22 Å²	22	61.1 Å²	61.1	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.1	170.1	-58.8	177	0	0	0	110.4	Q767 L793 I797 L808 C819 L820 F830	Q767-L810 PolarHBondContact NE2-O 3.48Å; L793-L810 HydrophobicContact CD2-CD1 3.59Å; L793-L810 HydrophobicContact CG-CD1 4.04Å; I797-L810 HydrophobicContact CD1-CD2 3.71Å; L808-L810 HydrophobicContact CD2-CD1 4.39Å; L808-L810 HydrophobicContact CD2-CD2 3.74Å; L808-L810 HydrophobicContact CD2-CG 3.66Å; L810-C819 WeakPolarHBondContact CA-O 3.25Å; L810-L820 HydrophobicContact CD2-CD1 4.47Å; L810-F830 HydrophobicContact CD2-CZ 4.29Å
811	C	87.8	Confident	84.9	Confident	54 Å²	54	62.8 Å²	62.8	37%	0.365	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-169.3	160.8	51.8	0	0	0	0	108.8	P818 C819	C811-P818 WeakPolarHBondContact O-CA 3.33Å; C811-C819 PolarHBondContact N-O 2.91Å; C811-C819 PolarHBondContact O-N 3.28Å; C811-C819 PolarHBondContact SG-SG 3.16Å
812	R	85.2	Confident	84.2	Confident	86 Å²	86	65.1 Å²	65.1	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.3	172.7	-69.2	176.3	-179.7	-107.8	11.8	109.3	E770 G816 K817	E770-R812 VanDerWaalsContact CD-NH2 3.32Å; E770-R812 IonicContact OE1-CZ 3.09Å; E770-R812 IonicContact OE1-NE 2.68Å; E770-R812 PolarHBondContact OE1-NE 3.03Å; E770-R812 IonicContact OE1-NH2 3.85Å; E770-R812 PolarHBondContact OE1-NH2 2.75Å; E770-R812 VanDerWaalsContact OE1-NH2 3.09Å; E770-R812 IonicContact OE2-CZ 3.17Å; E770-R812 IonicContact OE2-NH2 2.76Å; E770-R812 PolarHBondContact OE2-NH2 3.09Å; R812-G816 WeakPolarHBondContact CD-O 3.47Å; R812-G816 PolarHBondContact NH1-O 3.4Å; R812-K817 CarbonylContact C-O 3.58Å; R812-K817 VanDerWaalsContact CA-O 3.27Å; R812-K817 WeakPolarHBondContact CA-O 3.44Å
813	E	80.4	Confident	83.1	Confident	70 Å²	70	65.2 Å²	65.2	33%	0.327	36%	0.358	S	S	.	.			trans	-63.3	164.7	165.2	-76.7	165.4	-146.2	0	0	111	N815 G816 K817 C819	E813-N815 WeakPolarHBondContact CB-OD1 3.4Å; E813-N815 PolarHBondContact O-N 2.95Å; E813-N815 VanDerWaalsContact O-N 3.16Å; E813-N815 PolarHBondContact OE2-ND2 2.73Å; E813-N815 PolarHBondContact OE2-OD1 2.72Å; E813-G816 WeakPolarHBondContact O-CA 3.43Å; E813-G816 PolarHBondContact O-N 2.87Å; E813-K817 HydrophobicContact CB-CB 4.3Å; E813-K817 PolarHBondContact N-O 2.87Å; E813-C819 HydrophobicContact CG-CB 4.41Å
814	P	74	Confident	81.7	Confident	120 Å²	120	72.6 Å²	72.6	78%	0.779	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.9	179.6	-25.9	35.9	0	0	0	115.1	A536 G816	A536-P814 HydrophobicContact CB-CB 4.35Å; P814-G816 VanDerWaalsContact C-N 3.26Å; P814-G816 PolarHBondContact O-N 3.11Å
815	N	72.1	Confident	80.1	Confident	78 Å²	78	76.6 Å²	76.6	42%	0.417	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.3	172.6	58.6	16.4	0	0	0	113.5	E813 K817 G913	E813-N815 WeakPolarHBondContact CB-OD1 3.4Å; E813-N815 PolarHBondContact O-N 2.95Å; E813-N815 VanDerWaalsContact O-N 3.16Å; E813-N815 PolarHBondContact OE2-ND2 2.73Å; E813-N815 PolarHBondContact OE2-OD1 2.72Å; N815-K817 WeakPolarHBondContact OD1-CB 3.46Å; N815-K817 PolarHBondContact OD1-N 2.91Å; N815-G913 PolarHBondContact ND2-O 3.4Å
816	G	80.7	Confident	78.7	Confident	29 Å²	29	75.3 Å²	75.3	30%	0.299	40%	0.403	S	S	.	.	S	Bend	trans	88.5	-6	-175.2	0	0	0	0	0	116.2	R812 E813 P814	R812-G816 WeakPolarHBondContact CD-O 3.47Å; R812-G816 PolarHBondContact NH1-O 3.4Å; E813-G816 WeakPolarHBondContact O-CA 3.43Å; E813-G816 PolarHBondContact O-N 2.87Å; P814-G816 VanDerWaalsContact C-N 3.26Å; P814-G816 PolarHBondContact O-N 3.11Å
817	K	85.4	Confident	77.9	Confident	39 Å²	39	67.5 Å²	67.5	17%	0.17	38%	0.376	C	S	.	.			trans	-61.4	125.5	178.4	-178.3	170.1	170.5	171	0	110.5	R812 E813 N815 K910 A911	R812-K817 CarbonylContact C-O 3.58Å; R812-K817 VanDerWaalsContact CA-O 3.27Å; R812-K817 WeakPolarHBondContact CA-O 3.44Å; E813-K817 HydrophobicContact CB-CB 4.3Å; E813-K817 PolarHBondContact N-O 2.87Å; N815-K817 WeakPolarHBondContact OD1-CB 3.46Å; N815-K817 PolarHBondContact OD1-N 2.91Å; K817-K910 WeakPolarHBondContact CE-O 3.41Å; K817-K910 PolarHBondContact NZ-O 2.98Å; K817-A911 PolarHBondContact NZ-O 2.63Å
818	P	88	Confident	77.8	Confident	24 Å²	24	62.7 Å²	62.7	16%	0.156	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.3	176.8	-21.1	33.3	0	0	0	111.7	L793 C811 F830	L793-P818 HydrophobicContact CD2-CB 3.91Å; L793-P818 HydrophobicContact CD2-CG 4.25Å; C811-P818 WeakPolarHBondContact O-CA 3.33Å; P818-F830 VanDerWaalsContact O-CE2 3.3Å; P818-F830 WeakPolarHBondContact O-CE2 3.26Å
819	C	87.9	Confident	77.8	Confident	28 Å²	28	63.6 Å²	63.6	19%	0.189	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163.2	178.2	58.9	0	0	0	0	111.1	L810 C811 E813	L810-C819 WeakPolarHBondContact CA-O 3.25Å; C811-C819 PolarHBondContact N-O 2.91Å; C811-C819 PolarHBondContact O-N 3.28Å; C811-C819 PolarHBondContact SG-SG 3.16Å; E813-C819 HydrophobicContact CG-CB 4.41Å
820	L	86.7	Confident	78	Confident	32 Å²	32	61.1 Å²	61.1	17%	0.168	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122	-175.7	-177.5	63.3	0	0	0	111	I797 L803 L808 L810 N823 F830	I797-L820 HydrophobicContact CG2-CD1 4.31Å; I797-L820 HydrophobicContact CG2-CD2 4.39Å; L803-L820 HydrophobicContact CD1-CD1 4.14Å; L803-L820 HydrophobicContact CD1-CD2 3.91Å; L808-L820 HydrophobicContact CD2-CD1 4.47Å; L808-L820 HydrophobicContact CG-CD1 4.33Å; L810-L820 HydrophobicContact CD2-CD1 4.47Å; L820-N823 HydrophobicContact CD2-CB 3.79Å; L820-N823 HydrophobicContact CG-CB 4.13Å; L820-F830 HydrophobicContact CB-CE1 4.41Å; L820-F830 HydrophobicContact CB-CZ 4.43Å
821	S	82.4	Confident	78.2	Confident	52 Å²	52	60.7 Å²	60.7	36%	0.364	34%	0.342	S	S	.	.	S	Bend	trans	-74.6	149.4	178.8	-165.6	0	0	0	0	112.1	T809 N823	T809-S821 VanDerWaalsContact O-CB 3.23Å; T809-S821 WeakPolarHBondContact O-CB 3.39Å; T809-S821 PolarHBondContact O-N 3.19Å; S821-N823 PolarHBondContact O-N 2.9Å; S821-N823 PolarHBondContact O-ND2 3.46Å
822	G	66.5	Low	78.6	Confident	72 Å²	72	59.6 Å²	59.6	74%	0.742	33%	0.332	S	S	*	.	S	Bend	trans	70.1	-28.1	174.2	0	0	0	0	0	116.9	Q824	G822-Q824 PolarHBondContact O-N 3.49Å
823	N	59.7	Low	79.1	Confident	62 Å²	62	56 Å²	56	33%	0.332	32%	0.32	S	S	.	.			trans	-102.6	50.7	-166.3	-72.2	-72	0	0	0	114.1	L820 S821 H825 I826	L820-N823 HydrophobicContact CD2-CB 3.79Å; L820-N823 HydrophobicContact CG-CB 4.13Å; S821-N823 PolarHBondContact O-N 2.9Å; S821-N823 PolarHBondContact O-ND2 3.46Å; N823-H825 PolarHBondContact O-N 2.85Å; N823-I826 HydrophobicContact CB-CD1 3.91Å; N823-I826 HydrophobicContact CB-CG1 4.17Å; N823-I826 PolarHBondContact O-N 3.46Å; N823-I826 VanDerWaalsContact O-N 3.11Å
824	Q	55.7	Low	79.8	Confident	185 Å²	185	57 Å²	57	86%	0.864	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	8	178.6	-65.5	-175.4	-13.2	0	0	115.5	G822	G822-Q824 PolarHBondContact O-N 3.49Å
825	H	57	Low	80.8	Confident	137 Å²	137	54.6 Å²	54.6	63%	0.634	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-5.1	178.1	-64	-6.4	0	0	0	112.8	K664 N823	K664-H825 WeakPolarHBondContact CE-CE1 3.35Å; K664-H825 WeakPolarHBondContact CE-NE2 3.15Å; K664-H825 PolarHBondContact NZ-CE1 3.01Å; K664-H825 PolarHBondContact NZ-NE2 3.43Å; N823-H825 PolarHBondContact O-N 2.85Å
826	I	62	Low	81.7	Confident	62 Å²	62	51.8 Å²	51.8	32%	0.318	29%	0.293	S	S	.	.			trans	-96.7	103.5	176.2	-52	-179.1	0	0	0	108	T801 L803 N823 Y828	T801-I826 HydrophobicContact CG2-CG2 3.67Å; L803-I826 HydrophobicContact CD1-CD1 4.35Å; L803-I826 HydrophobicContact CG-CD1 4.49Å; N823-I826 HydrophobicContact CB-CD1 3.91Å; N823-I826 HydrophobicContact CB-CG1 4.17Å; N823-I826 PolarHBondContact O-N 3.46Å; N823-I826 VanDerWaalsContact O-N 3.11Å; I826-Y828 VanDerWaalsContact C-N 3.33Å; I826-Y828 PolarHBondContact O-N 3.48Å
827	Q	70.9	Confident	82.3	Confident	72 Å²	72	51.7 Å²	51.7	34%	0.336	29%	0.285	S	S	.	.			trans	-77.5	88	172.9	-171.6	176.8	20.5	0	0	109.8	A845 Y846 S972 L974	Q827-A845 WeakPolarHBondContact O-CA 3.38Å; Q827-Y846 WeakPolarHBondContact CG-O 3.41Å; Q827-Y846 PolarHBondContact NE2-O 3.07Å; Q827-Y846 VanDerWaalsContact NE2-O 3.13Å; Q827-S972 VanDerWaalsContact NE2-CB 3.32Å; Q827-S972 PolarHBondContact NE2-OG 3.05Å; Q827-S972 PolarHBondContact OE1-OG 3.15Å; Q827-L974 VanDerWaalsContact OE1-CD1 3.32Å
828	Y	83.7	Confident	82.8	Confident	22 Å²	22	51.1 Å²	51.1	9%	0.086	28%	0.283	C	S	.	.			trans	-138.5	97.1	174.3	-166.8	-103.7	0	0	0	108.8	L743 A796 T801 I826 F830 A843 G844	L743-Y828 VanDerWaalsContact CD1-OH 3.28Å; L743-Y828 WeakPolarHBondContact CD1-OH 3.43Å; A796-Y828 PolarHBondContact O-OH 3.44Å; T801-Y828 HydrophobicContact CG2-CD1 3.97Å; T801-Y828 HydrophobicContact CG2-CG 4.03Å; I826-Y828 VanDerWaalsContact C-N 3.33Å; I826-Y828 PolarHBondContact O-N 3.48Å; Y828-F830 HydrophobicContact CD1-CD1 4.2Å; Y828-F830 VanDerWaalsContact O-CD1 3.32Å; Y828-F830 WeakPolarHBondContact O-CD1 3.25Å; Y828-A843 HydrophobicContact CE1-CB 3.75Å; Y828-A843 WeakPolarHBondContact OH-CB 3.45Å; Y828-G844 CarbonylContact C-O 3.59Å; Y828-G844 VanDerWaalsContact CE2-CA 3.44Å
829	A	88.9	Confident	83.2	Confident	19 Å²	19	50 Å²	50	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	143.8	178.9	0	0	0	0	0	110	A843 G844 Y846 C849	A829-A843 CarbonylContact O-C 3.36Å; A829-A843 VanDerWaalsContact O-CA 3.27Å; A829-A843 WeakPolarHBondContact O-CA 3.47Å; A829-G844 PolarHBondContact N-O 2.88Å; A829-G844 PolarHBondContact O-N 2.98Å; A829-Y846 HydrophobicContact CB-CD2 4.33Å; A829-C849 HydrophobicContact CB-CB 3.63Å
830	F	92.4	Very high	83.7	Confident	18 Å²	18	48.9 Å²	48.9	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.2	-179.3	51.6	-99.1	0	0	0	110.6	L793 I797 L810 P818 L820 Y828 A842 A843	L793-F830 HydrophobicContact CD1-CD2 3.47Å; L793-F830 VanDerWaalsContact CD1-CD2 3.47Å; L793-F830 HydrophobicContact CD1-CE2 3.94Å; L793-F830 HydrophobicContact CD1-CG 4.21Å; I797-F830 HydrophobicContact CD1-CD1 3.66Å; I797-F830 HydrophobicContact CD1-CD2 3.98Å; I797-F830 HydrophobicContact CD1-CE1 3.39Å; I797-F830 HydrophobicContact CD1-CE2 3.72Å; I797-F830 HydrophobicContact CD1-CG 3.93Å; I797-F830 HydrophobicContact CD1-CZ 3.4Å; I797-F830 VanDerWaalsContact CD1-CZ 3.4Å; I797-F830 HydrophobicContact CG1-CD1 3.55Å; I797-F830 HydrophobicContact CG1-CE1 3.68Å; I797-F830 HydrophobicContact CG1-CG 4Å; I797-F830 HydrophobicContact CG1-CZ 4.22Å; L810-F830 HydrophobicContact CD2-CZ 4.29Å; P818-F830 VanDerWaalsContact O-CE2 3.3Å; P818-F830 WeakPolarHBondContact O-CE2 3.26Å; L820-F830 HydrophobicContact CB-CE1 4.41Å; L820-F830 HydrophobicContact CB-CZ 4.43Å; Y828-F830 HydrophobicContact CD1-CD1 4.2Å; Y828-F830 VanDerWaalsContact O-CD1 3.32Å; Y828-F830 WeakPolarHBondContact O-CD1 3.25Å; F830-A842 CarbonylContact C-O 3.58Å; F830-A842 VanDerWaalsContact CA-O 3.31Å; F830-A842 WeakPolarHBondContact CA-O 3.49Å; F830-A843 HydrophobicContact CB-CB 3.75Å
831	N	95.4	Very high	84.1	Confident	14 Å²	14	47.5 Å²	47.5	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.9	174.7	-158.9	-97.5	0	0	0	111.1	L841 A842 C849 V851	N831-L841 WeakPolarHBondContact O-CA 3.34Å; N831-A842 PolarHBondContact N-O 3.32Å; N831-A842 PolarHBondContact O-N 2.85Å; N831-A842 VanDerWaalsContact O-N 3.11Å; N831-C849 WeakPolarHBondContact CB-O 3.35Å; N831-V851 HydrophobicContact CB-CG1 4.09Å; N831-V851 PolarHBondContact OD1-N 3.36Å; N831-V851 PolarHBondContact OD1-O 2.88Å
832	I	95.8	Very high	84.7	Confident	31 Å²	31	45 Å²	45	16%	0.159	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	137.1	-174.9	-158.2	172.9	0	0	0	111.2	G789 M792 L793 V839 V840 L841	G789-I832 WeakPolarHBondContact O-CD1 3.44Å; M792-I832 HydrophobicContact CB-CD1 4.29Å; L793-I832 HydrophobicContact CB-CD1 4.45Å; I832-V839 HydrophobicContact CD1-CG1 3.87Å; I832-V839 HydrophobicContact CG1-CG1 3.85Å; I832-V840 WeakPolarHBondContact CA-O 3.37Å; I832-V840 WeakPolarHBondContact CG1-O 3.28Å; I832-L841 HydrophobicContact CD1-CB 4.42Å; I832-L841 HydrophobicContact CD1-CD1 4.23Å; I832-L841 HydrophobicContact CG1-CB 4.15Å
833	A	96.7	Very high	86	Confident	9 Å²	9	41.6 Å²	41.6	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.1	176.6	0	0	0	0	0	110.7	V839 V840 V851 I853	A833-V839 WeakPolarHBondContact O-CA 3.32Å; A833-V839 WeakPolarHBondContact O-CG1 3.5Å; A833-V840 HydrophobicContact CB-CG2 3.97Å; A833-V840 PolarHBondContact N-O 3.4Å; A833-V840 PolarHBondContact O-N 3.04Å; A833-V851 HydrophobicContact CB-CG1 4.37Å; A833-V851 WeakPolarHBondContact CB-O 3.19Å; A833-I853 HydrophobicContact CB-CG2 4.18Å
834	H	95	Very high	87.3	Confident	92 Å²	92	38.7 Å²	38.7	43%	0.426	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.9	171.8	61.7	86.4	0	0	0	110.4	A785 F838 V839	A785-H834 HydrophobicContact CB-CB 4.13Å; H834-F838 VanDerWaalsContact CA-O 3.26Å; H834-F838 WeakPolarHBondContact CA-O 3.48Å; H834-F838 WeakPolarHBondContact CB-O 3.38Å; H834-V839 HydrophobicContact CB-CB 4.34Å; H834-V839 HydrophobicContact CB-CG1 4.39Å; H834-V839 HydrophobicContact CB-CG2 4.03Å
835	H	93.7	Very high	88.6	Confident	70 Å²	70	31 Å²	31	32%	0.324	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	146.2	172.1	-166.4	-84.1	0	0	0	109.3	D837 F838 I853 R855	H835-D837 PolarHBondContact O-N 2.95Å; H835-F838 PolarHBondContact N-O 2.85Å; H835-F838 VanDerWaalsContact N-O 3.13Å; H835-F838 PolarHBondContact O-N 3.42Å; H835-I853 HydrophobicContact CB-CG2 4.16Å; H835-I853 WeakPolarHBondContact CB-O 3.28Å; H835-R855 VanDerWaalsContact ND1-CB 3.33Å; H835-R855 WeakPolarHBondContact ND1-CB 3.05Å; H835-R855 PolarHBondContact ND1-N 3.48Å
836	G	91.1	Very high	89.6	Confident	19 Å²	19	25.1 Å²	25.1	20%	0.196	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-121.3	-175.8	0	0	0	0	0	111.6	Q781	Q781-G836 PolarHBondContact NE2-O 2.65Å
837	D	93.5	Very high	90.4	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.139	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.5	-170.7	-58.9	-51.5	0	0	0	114.1	H748 I749 S750 H835 R855 H963	H748-D837 CarbonylContact C-O 3.59Å; H748-D837 WeakPolarHBondContact CA-O 3.49Å; H748-D837 PolarHBondContact CD2-O 2.85Å; I749-D837 PolarHBondContact N-O 3.46Å; S750-D837 WeakPolarHBondContact CB-OD1 3.41Å; S750-D837 PolarHBondContact OG-OD1 3.02Å; H835-D837 PolarHBondContact O-N 2.95Å; D837-R855 IonicContact OD1-NH1 3.64Å; D837-R855 IonicContact OD2-CZ 2.69Å; D837-R855 IonicContact OD2-NH1 2.91Å; D837-R855 PolarHBondContact OD2-NH1 3.24Å; D837-R855 IonicContact OD2-NH2 3.02Å; D837-R855 PolarHBondContact OD2-NH2 2.97Å; D837-H963 PolarHBondContact N-NE2 3.42Å; D837-H963 VanDerWaalsContact N-NE2 3.13Å; D837-H963 IonicContact OD2-CE1 3.22Å
838	F	95.4	Very high	91.2	Very high	27 Å²	27	22.3 Å²	22.3	12%	0.118	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.9	-170.8	-67.5	-88	0	0	0	114.9	F747 H748 H834 H835 I853 I959 H963	F747-F838 WeakPolarHBondContact O-CA 3.49Å; H748-F838 HydrophobicContact CB-CD1 4.03Å; H748-F838 HydrophobicContact CB-CE1 3.73Å; H748-F838 HydrophobicContact CB-CZ 4.44Å; H748-F838 AromaticContact CD2-CE1 3.74Å; H748-F838 AromaticContact CD2-CE2 3.96Å; H748-F838 AromaticContact CD2-CZ 3.62Å; H748-F838 AromaticContact CG-CE1 3.98Å; H834-F838 VanDerWaalsContact CA-O 3.26Å; H834-F838 WeakPolarHBondContact CA-O 3.48Å; H834-F838 WeakPolarHBondContact CB-O 3.38Å; H835-F838 PolarHBondContact N-O 2.85Å; H835-F838 VanDerWaalsContact N-O 3.13Å; H835-F838 PolarHBondContact O-N 3.42Å; F838-I853 HydrophobicContact CB-CD1 3.66Å; F838-I853 HydrophobicContact CG-CD1 4.39Å; F838-I959 HydrophobicContact CD1-CG2 3.84Å; F838-I959 HydrophobicContact CD2-CG2 4.28Å; F838-I959 HydrophobicContact CE1-CG2 3.81Å; F838-I959 HydrophobicContact CE2-CG2 4.25Å; F838-I959 HydrophobicContact CG-CG2 4.08Å; F838-I959 HydrophobicContact CZ-CG2 4.02Å; F838-H963 HydrophobicContact CD2-CB 4.42Å; F838-H963 AromaticContact CD2-CD2 3.83Å; F838-H963 AromaticContact CD2-CG 3.88Å; F838-H963 AromaticContact CD2-ND1 4Å; F838-H963 AromaticContact CD2-NE2 3.93Å; F838-H963 AromaticContact CE2-ND1 3.98Å
839	V	97.1	Very high	91.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.4	155	-170.7	0	0	0	0	108.5	T746 F747 I749 A785 A788 M792 I832 A833 H834	T746-V839 CarbonylContact C-O 3.48Å; T746-V839 WeakPolarHBondContact CA-O 3.46Å; F747-V839 HydrophobicContact CB-CB 4.36Å; F747-V839 PolarHBondContact N-O 2.9Å; F747-V839 PolarHBondContact O-N 3.27Å; I749-V839 HydrophobicContact CD1-CG2 3.72Å; I749-V839 HydrophobicContact CG1-CG2 3.68Å; A785-V839 HydrophobicContact CB-CG2 4.28Å; A788-V839 HydrophobicContact CB-CG2 4.19Å; M792-V839 HydrophobicContact CE-CB 4.46Å; M792-V839 HydrophobicContact CE-CG1 4.31Å; M792-V839 HydrophobicContact SD-CB 3.84Å; M792-V839 HydrophobicContact SD-CG1 3.69Å; I832-V839 HydrophobicContact CD1-CG1 3.87Å; I832-V839 HydrophobicContact CG1-CG1 3.85Å; A833-V839 WeakPolarHBondContact O-CA 3.32Å; A833-V839 WeakPolarHBondContact O-CG1 3.5Å; H834-V839 HydrophobicContact CB-CB 4.34Å; H834-V839 HydrophobicContact CB-CG1 4.39Å; H834-V839 HydrophobicContact CB-CG2 4.03Å
840	V	97.2	Very high	91.9	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.036	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.5	173	-60.9	0	0	0	0	111.3	W745 T746 I832 A833 V851 I853 A965	W745-V840 CarbonylContact O-C 3.59Å; W745-V840 WeakPolarHBondContact O-CA 3.48Å; T746-V840 HydrophobicContact CG2-CG1 4.16Å; I832-V840 WeakPolarHBondContact CA-O 3.37Å; I832-V840 WeakPolarHBondContact CG1-O 3.28Å; A833-V840 HydrophobicContact CB-CG2 3.97Å; A833-V840 PolarHBondContact N-O 3.4Å; A833-V840 PolarHBondContact O-N 3.04Å; V840-V851 HydrophobicContact CB-CG2 4.27Å; V840-V851 HydrophobicContact CG2-CG1 4.24Å; V840-V851 HydrophobicContact CG2-CG2 3.59Å; V840-I853 HydrophobicContact CG1-CB 4.13Å; V840-I853 HydrophobicContact CG1-CD1 3.58Å; V840-I853 HydrophobicContact CG1-CG1 4.44Å; V840-I853 HydrophobicContact CG1-CG2 4.24Å; V840-I853 HydrophobicContact CG2-CB 3.8Å; V840-I853 HydrophobicContact CG2-CG2 3.59Å; V840-A965 HydrophobicContact CG1-CB 4.41Å
841	L	96.8	Very high	92.1	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.2	175.4	176.3	146.6	0	0	0	110.6	L743 W745 M792 L793 A796 N831 I832 A843	L743-L841 HydrophobicContact CB-CD2 4.3Å; W745-L841 HydrophobicContact CB-CB 4.46Å; W745-L841 HydrophobicContact CE3-CD2 4.2Å; W745-L841 PolarHBondContact N-O 2.97Å; W745-L841 PolarHBondContact O-N 3.1Å; M792-L841 HydrophobicContact CB-CD1 4.07Å; M792-L841 HydrophobicContact CE-CB 3.95Å; L793-L841 HydrophobicContact CB-CD1 4.46Å; L793-L841 HydrophobicContact CD1-CD1 4.28Å; A796-L841 HydrophobicContact CB-CD1 3.78Å; A796-L841 HydrophobicContact CB-CD2 3.68Å; A796-L841 HydrophobicContact CB-CG 4.42Å; N831-L841 WeakPolarHBondContact O-CA 3.34Å; I832-L841 HydrophobicContact CD1-CB 4.42Å; I832-L841 HydrophobicContact CD1-CD1 4.23Å; I832-L841 HydrophobicContact CG1-CB 4.15Å; L841-A843 HydrophobicContact CD2-CB 4.03Å
842	A	95.1	Very high	92.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.6	166	0	0	0	0	0	110.2	L743 F830 N831 V851 V967	L743-A842 WeakPolarHBondContact O-CA 3.34Å; F830-A842 CarbonylContact C-O 3.58Å; F830-A842 VanDerWaalsContact CA-O 3.31Å; F830-A842 WeakPolarHBondContact CA-O 3.49Å; N831-A842 PolarHBondContact N-O 3.32Å; N831-A842 PolarHBondContact O-N 2.85Å; N831-A842 VanDerWaalsContact O-N 3.11Å; A842-V851 HydrophobicContact CB-CB 4.02Å; A842-V851 HydrophobicContact CB-CG1 4.4Å; A842-V967 HydrophobicContact CB-CB 4.39Å; A842-V967 HydrophobicContact CB-CG1 3.54Å; A842-V967 HydrophobicContact CB-CG2 3.89Å
843	A	93.1	Very high	92.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.1	174.1	0	0	0	0	0	113.4	L743 A796 Y828 A829 F830 L841 Y846	L743-A843 HydrophobicContact CB-CB 4.21Å; L743-A843 HydrophobicContact CD1-CB 4.38Å; L743-A843 PolarHBondContact N-O 2.88Å; L743-A843 PolarHBondContact O-N 3.32Å; L743-A843 VanDerWaalsContact O-N 3.09Å; A796-A843 HydrophobicContact CB-CB 4.39Å; Y828-A843 HydrophobicContact CE1-CB 3.75Å; Y828-A843 WeakPolarHBondContact OH-CB 3.45Å; A829-A843 CarbonylContact O-C 3.36Å; A829-A843 VanDerWaalsContact O-CA 3.27Å; A829-A843 WeakPolarHBondContact O-CA 3.47Å; F830-A843 HydrophobicContact CB-CB 3.75Å; L841-A843 HydrophobicContact CD2-CB 4.03Å; A843-Y846 WeakPolarHBondContact O-CE2 3.39Å; A843-Y846 PolarHBondContact O-OH 2.93Å; A843-Y846 VanDerWaalsContact O-OH 3.11Å
844	G	87.7	Confident	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	176.5	-176.4	0	0	0	0	0	113.3	Y828 A829 Y846	Y828-G844 CarbonylContact C-O 3.59Å; Y828-G844 VanDerWaalsContact CE2-CA 3.44Å; A829-G844 PolarHBondContact N-O 2.88Å; A829-G844 PolarHBondContact O-N 2.98Å; G844-Y846 VanDerWaalsContact N-CE2 3.28Å; G844-Y846 PolarHBondContact O-N 3.03Å
845	A	82	Confident	92.1	Very high	23 Å²	23	17.3 Å²	17.3	19%	0.19	10%	0.1	C	C	.	.	S	Bend	trans	-80.2	47.4	179.1	0	0	0	0	0	113.3	C740 Q827 S972	C740-A845 HydrophobicContact CB-CB 4.47Å; C740-A845 VanDerWaalsContact SG-CB 3.51Å; C740-A845 PolarHBondContact SG-N 3.47Å; C740-A845 VanDerWaalsContact SG-N 3.36Å; Q827-A845 WeakPolarHBondContact O-CA 3.38Å; A845-S972 VanDerWaalsContact O-CB 3.31Å; A845-S972 WeakPolarHBondContact O-CB 3.43Å
846	Y	78.9	Confident	92	Very high	14 Å²	14	15.4 Å²	15.4	6%	0.055	9%	0.092	C	C	.	.			trans	-80.6	166.4	179.8	-44.8	-68.5	0	0	0	112.3	C742 R744 Q827 A829 A843 G844 M848 C849 Y969 S970	C742-Y846 WeakPolarHBondContact CA-OH 3.37Å; C742-Y846 WeakPolarHBondContact CB-OH 3.46Å; C742-Y846 PolarHBondContact SG-OH 3.47Å; C742-Y846 VanDerWaalsContact SG-OH 3.39Å; R744-Y846 PolarHBondContact NH1-OH 2.94Å; R744-Y846 PolarHBondContact NH2-OH 2.95Å; Q827-Y846 WeakPolarHBondContact CG-O 3.41Å; Q827-Y846 PolarHBondContact NE2-O 3.07Å; Q827-Y846 VanDerWaalsContact NE2-O 3.13Å; A829-Y846 HydrophobicContact CB-CD2 4.33Å; A843-Y846 WeakPolarHBondContact O-CE2 3.39Å; A843-Y846 PolarHBondContact O-OH 2.93Å; A843-Y846 VanDerWaalsContact O-OH 3.11Å; G844-Y846 VanDerWaalsContact N-CE2 3.28Å; G844-Y846 PolarHBondContact O-N 3.03Å; Y846-M848 WeakPolarHBondContact CB-O 3.46Å; Y846-C849 HydrophobicContact CD2-CB 3.78Å; Y846-C849 HydrophobicContact CE2-CB 4.38Å; Y846-Y969 AromaticContact CD1-CD2 3.58Å; Y846-Y969 HydrophobicContact CD1-CD2 3.58Å; Y846-Y969 HydrophobicContact CD1-CE2 4.44Å; Y846-Y969 AromaticContact CD1-CG 3.87Å; Y846-Y969 HydrophobicContact CD1-CG 3.87Å; Y846-Y969 AromaticContact CE1-CD2 3.78Å; Y846-Y969 HydrophobicContact CE1-CD2 3.78Å; Y846-Y969 HydrophobicContact CE1-CE2 4.34Å; Y846-Y969 AromaticContact CE1-CG 3.95Å; Y846-Y969 HydrophobicContact CE1-CG 3.95Å; Y846-Y969 HydrophobicContact CG-CD2 4.45Å; Y846-Y969 HydrophobicContact CG-CG 4.43Å; Y846-S970 WeakPolarHBondContact CA-O 3.48Å; Y846-S970 VanDerWaalsContact CB-O 3.31Å; Y846-S970 WeakPolarHBondContact CB-O 3.4Å
847	G	77.8	Confident	91.8	Very high	42 Å²	42	19.4 Å²	19.4	43%	0.433	11%	0.106	S	C	.	.	S	Bend	trans	-66.3	-53.1	163.6	0	0	0	0	0	111.1	S970	G847-S970 WeakPolarHBondContact CA-OG 3.45Å; G847-S970 PolarHBondContact N-O 2.91Å
848	M	88.4	Confident	91	Very high	34 Å²	34	21.1 Å²	21.1	17%	0.167	11%	0.114	C	C	.	.			trans	-134	161.4	170.9	70.3	-178	90.5	0	0	111.1	Y846 A911 V912 V952 Y969 S970	Y846-M848 WeakPolarHBondContact CB-O 3.46Å; M848-A911 HydrophobicContact CB-CB 4.45Å; M848-A911 HydrophobicContact CG-CB 3.97Å; M848-A911 HydrophobicContact SD-CB 3.91Å; M848-V912 HydrophobicContact CE-CG1 4.33Å; M848-V912 HydrophobicContact SD-CG1 3.67Å; M848-V952 HydrophobicContact CE-CG2 4.39Å; M848-Y969 VanDerWaalsContact O-CA 3.26Å; M848-Y969 WeakPolarHBondContact O-CA 3.39Å; M848-Y969 WeakPolarHBondContact O-CB 3.09Å; M848-S970 PolarHBondContact N-OG 3.16Å; M848-S970 VanDerWaalsContact N-OG 3.11Å; M848-S970 PolarHBondContact O-N 2.58Å
849	C	91.6	Very high	89.8	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	136.4	175.3	-170.7	0	0	0	0	110.5	A829 N831 Y846 A911 C968	A829-C849 HydrophobicContact CB-CB 3.63Å; N831-C849 WeakPolarHBondContact CB-O 3.35Å; Y846-C849 HydrophobicContact CD2-CB 3.78Å; Y846-C849 HydrophobicContact CE2-CB 4.38Å; C849-A911 WeakPolarHBondContact O-CA 3.42Å; C849-C968 CarbonylContact C-O 3.59Å; C849-C968 WeakPolarHBondContact CA-O 3.44Å
850	G	94.8	Very high	88.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.1	174.7	0	0	0	0	0	110.3	S907 V967 C968	G850-S907 WeakPolarHBondContact CA-O 3.36Å; G850-V967 WeakPolarHBondContact O-CA 3.28Å; G850-V967 WeakPolarHBondContact O-CG1 3.47Å; G850-C968 PolarHBondContact N-O 3.49Å; G850-C968 PolarHBondContact O-N 3.27Å
851	V	96.7	Very high	86.6	Confident	3 Å²	3	38 Å²	38	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.7	173.3	64.5	0	0	0	0	109.7	N831 A833 V840 A842 K910 C966 V967	N831-V851 HydrophobicContact CB-CG1 4.09Å; N831-V851 PolarHBondContact OD1-N 3.36Å; N831-V851 PolarHBondContact OD1-O 2.88Å; A833-V851 HydrophobicContact CB-CG1 4.37Å; A833-V851 WeakPolarHBondContact CB-O 3.19Å; V840-V851 HydrophobicContact CB-CG2 4.27Å; V840-V851 HydrophobicContact CG2-CG1 4.24Å; V840-V851 HydrophobicContact CG2-CG2 3.59Å; A842-V851 HydrophobicContact CB-CB 4.02Å; A842-V851 HydrophobicContact CB-CG1 4.4Å; V851-K910 WeakPolarHBondContact O-CD 3.42Å; V851-C966 CarbonylContact C-O 3.56Å; V851-C966 VanDerWaalsContact CA-O 3.31Å; V851-C966 WeakPolarHBondContact CA-O 3.44Å; V851-C966 WeakPolarHBondContact CG2-O 3.49Å; V851-V967 HydrophobicContact CB-CG2 4.24Å; V851-V967 HydrophobicContact CG2-CG2 3.74Å
852	D	97.4	Very high	85	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.6	168.5	-165.1	52.5	0	0	0	112.1	M854 C903 E906 K910 A965 C966	D852-M854 VanDerWaalsContact OD2-CE 3.29Å; D852-M854 WeakPolarHBondContact OD2-CE 3.4Å; D852-C903 HydrophobicContact CB-CB 4.19Å; D852-C903 WeakPolarHBondContact OD2-CA 3.4Å; D852-C903 PolarHBondContact OD2-SG 2.62Å; D852-E906 HydrophobicContact CB-CB 3.69Å; D852-E906 VanDerWaalsContact CG-CB 3.5Å; D852-K910 IonicContact OD1-NZ 3.51Å; D852-K910 PolarHBondContact OD1-NZ 3.12Å; D852-A965 CarbonylContact O-C 3.56Å; D852-A965 WeakPolarHBondContact O-CA 3.39Å; D852-A965 WeakPolarHBondContact O-CB 3.19Å; D852-C966 PolarHBondContact N-O 2.97Å; D852-C966 PolarHBondContact O-N 3.38Å
853	I	96.6	Very high	83.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138	172	-179.7	164.1	0	0	0	109.3	A833 H835 F838 V840 I959 H963 V964 A965	A833-I853 HydrophobicContact CB-CG2 4.18Å; H835-I853 HydrophobicContact CB-CG2 4.16Å; H835-I853 WeakPolarHBondContact CB-O 3.28Å; F838-I853 HydrophobicContact CB-CD1 3.66Å; F838-I853 HydrophobicContact CG-CD1 4.39Å; V840-I853 HydrophobicContact CG1-CB 4.13Å; V840-I853 HydrophobicContact CG1-CD1 3.58Å; V840-I853 HydrophobicContact CG1-CG1 4.44Å; V840-I853 HydrophobicContact CG1-CG2 4.24Å; V840-I853 HydrophobicContact CG2-CB 3.8Å; V840-I853 HydrophobicContact CG2-CG2 3.59Å; I853-I959 HydrophobicContact CD1-CB 4.47Å; I853-I959 HydrophobicContact CD1-CG1 4.17Å; I853-H963 HydrophobicContact CD1-CB 4.24Å; I853-H963 HydrophobicContact CG1-CB 4.48Å; I853-V964 CarbonylContact C-O 3.58Å; I853-V964 VanDerWaalsContact CA-O 3.31Å; I853-V964 WeakPolarHBondContact CA-O 3.27Å; I853-V964 WeakPolarHBondContact CG1-O 3.33Å; I853-A965 HydrophobicContact CB-CB 3.98Å; I853-A965 HydrophobicContact CD1-CB 4.31Å; I853-A965 HydrophobicContact CG1-CB 4.12Å
854	M	95.4	Very high	83.3	Confident	26 Å²	26	53.1 Å²	53.1	13%	0.128	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.3	175.6	-70.8	-70.6	152.3	0	0	111	D852 Y899 C903 H963 V964	D852-M854 VanDerWaalsContact OD2-CE 3.29Å; D852-M854 WeakPolarHBondContact OD2-CE 3.4Å; M854-Y899 HydrophobicContact CB-CD1 3.46Å; M854-Y899 VanDerWaalsContact CB-CD1 3.46Å; M854-Y899 HydrophobicContact CB-CE1 4.18Å; M854-Y899 HydrophobicContact CB-CG 4.02Å; M854-Y899 HydrophobicContact CG-CD1 3.81Å; M854-Y899 HydrophobicContact CG-CE1 4.39Å; M854-Y899 HydrophobicContact SD-CD1 4.39Å; M854-Y899 HydrophobicContact SD-CE1 4.39Å; M854-C903 VanDerWaalsContact CB-SG 3.58Å; M854-C903 WeakPolarHBondContact CG-SG 3.3Å; M854-C903 PolarHBondContact N-SG 3.46Å; M854-C903 VanDerWaalsContact N-SG 3.42Å; M854-H963 WeakPolarHBondContact O-CA 3.42Å; M854-V964 PolarHBondContact N-O 3.03Å; M854-V964 PolarHBondContact O-N 3.15Å
855	R	94.1	Very high	83.2	Confident	64 Å²	64	53.3 Å²	53.3	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.7	171.7	-169.4	-176.3	-161.9	135.2	23.3	109.3	H835 D837 Q857 D962	H835-R855 VanDerWaalsContact ND1-CB 3.33Å; H835-R855 WeakPolarHBondContact ND1-CB 3.05Å; H835-R855 PolarHBondContact ND1-N 3.48Å; D837-R855 IonicContact OD1-NH1 3.64Å; D837-R855 IonicContact OD2-CZ 2.69Å; D837-R855 IonicContact OD2-NH1 2.91Å; D837-R855 PolarHBondContact OD2-NH1 3.24Å; D837-R855 IonicContact OD2-NH2 3.02Å; D837-R855 PolarHBondContact OD2-NH2 2.97Å; R855-Q857 VanDerWaalsContact C-N 3.31Å; R855-Q857 PolarHBondContact O-N 2.73Å; R855-D962 CarbonylContact C-O 3.49Å; R855-D962 VanDerWaalsContact CA-O 3.3Å; R855-D962 WeakPolarHBondContact CA-O 3.49Å; R855-D962 WeakPolarHBondContact CG-O 3.4Å; R855-D962 IonicContact CZ-OD2 2.95Å; R855-D962 IonicContact NE-OD2 3.69Å; R855-D962 PolarHBondContact NE-OD2 3.34Å; R855-D962 IonicContact NH2-OD2 2.73Å; R855-D962 PolarHBondContact NH2-OD2 3.18Å
856	L	91.6	Very high	83.5	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.162	28%	0.275	C	S	.	.			trans	-74.7	76.7	-179.2	-54.7	-172.7	0	0	0	111.3	R896 Y899 D962 V964	L856-R896 HydrophobicContact CD1-CB 4.04Å; L856-R896 HydrophobicContact CD1-CG 3.95Å; L856-R896 VanDerWaalsContact CD1-CZ 3.41Å; L856-Y899 HydrophobicContact CD2-CD2 3.57Å; L856-Y899 HydrophobicContact CD2-CG 3.89Å; L856-D962 PolarHBondContact N-O 3.4Å; L856-V964 HydrophobicContact CD2-CG2 4.09Å
857	Q	86.5	Confident	83.8	Confident	103 Å²	103	57 Å²	57	48%	0.481	29%	0.293	S	S	.	.			trans	-138.2	121	-176	-177	170.8	32	0	0	112.9	R855 Y899	R855-Q857 VanDerWaalsContact C-N 3.31Å; R855-Q857 PolarHBondContact O-N 2.73Å; Q857-Y899 PolarHBondContact O-OH 2.89Å; Q857-Y899 VanDerWaalsContact O-OH 3.05Å
858	I	77.6	Confident	84.3	Confident	61 Å²	61	55.9 Å²	55.9	31%	0.313	28%	0.276	S	S	.	.			trans	-61.7	130.6	171.8	-50.8	175	0	0	0	109.4	K860 V865 L895	I858-K860 PolarHBondContact O-N 3.35Å; I858-V865 HydrophobicContact CD1-CG2 3.52Å; I858-V865 HydrophobicContact CG1-CG2 4.1Å; I858-L895 HydrophobicContact CG1-CD1 4.09Å; I858-L895 HydrophobicContact CG1-CD2 3.79Å
859	P	70	Confident	84.4	Confident	50 Å²	50	54.3 Å²	54.3	33%	0.325	27%	0.268	S	S	.	.			trans	-60.4	128.7	175.1	-25.8	35.8	0	0	0	112	V861 R862 Y868	P859-V861 PolarHBondContact O-N 2.83Å; P859-R862 PolarHBondContact O-N 3.23Å; P859-R862 VanDerWaalsContact O-N 3.08Å; P859-Y868 HydrophobicContact CG-CD2 4Å; P859-Y868 HydrophobicContact CG-CE2 3.52Å
860	K	67.8	Low	84.3	Confident	199 Å²	199	58.9 Å²	58.9	87%	0.865	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-8.4	-172.3	-62.8	-176	178.8	-179.3	0	117.1	I858	I858-K860 PolarHBondContact O-N 3.35Å
861	V	58.8	Low	83.9	Confident	140 Å²	140	64.8 Å²	64.8	85%	0.848	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.5	-178.2	-173.4	0	0	0	0	112.3	P859	P859-V861 PolarHBondContact O-N 2.83Å
862	R	63.5	Low	83.5	Confident	68 Å²	68	66.1 Å²	66.1	26%	0.257	33%	0.327	S	S	.	.			trans	-112.6	155.7	-174.3	-51.8	-160.9	-158.9	169.2	18.2	112.3	P859 E867 Y868 L871	P859-R862 PolarHBondContact O-N 3.23Å; P859-R862 VanDerWaalsContact O-N 3.08Å; R862-E867 PolarHBondContact NH1-O 3.45Å; R862-Y868 VanDerWaalsContact NH1-CA 3.3Å; R862-Y868 PolarHBondContact NH1-O 3.05Å; R862-L871 VanDerWaalsContact NH2-CD2 3.31Å
863	K	66.4	Low	83.2	Confident	191 Å²	191	70 Å²	70	83%	0.83	34%	0.344	S	S	*	.	S	Bend	trans	-97.8	-26.2	-171.4	-57.8	177.2	178.9	177.3	0	113.4	E867	K863-E867 WeakPolarHBondContact CA-OE2 3.37Å; K863-E867 VanDerWaalsContact CB-OE2 3.3Å; K863-E867 WeakPolarHBondContact CB-OE2 3.36Å; K863-E867 PolarHBondContact N-OE2 2.92Å
864	T	85.1	Confident	83	Confident	61 Å²	61	74.2 Å²	74.2	37%	0.374	37%	0.373	S	S	.	.			trans	-137.7	162.2	-176.9	64.8	0	0	0	0	113	E867 Y868	T864-E867 PolarHBondContact N-OE2 2.89Å; T864-E867 WeakPolarHBondContact OG1-CB 3.42Å; T864-E867 WeakPolarHBondContact OG1-CG 3.27Å; T864-E867 PolarHBondContact OG1-N 3.03Å; T864-E867 VanDerWaalsContact OG1-N 3.11Å; T864-E867 PolarHBondContact OG1-OE2 2.69Å; T864-Y868 PolarHBondContact O-N 3.07Å
865	V	86.6	Confident	82.8	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.024	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-35.6	171.8	-179.7	0	0	0	0	111	I858 Y868 L869 D891 R894	I858-V865 HydrophobicContact CD1-CG2 3.52Å; I858-V865 HydrophobicContact CG1-CG2 4.1Å; V865-Y868 CarbonylContact O-C 3.58Å; V865-Y868 WeakPolarHBondContact O-CA 3.35Å; V865-Y868 WeakPolarHBondContact O-CB 3.46Å; V865-Y868 PolarHBondContact O-N 3.02Å; V865-L869 HydrophobicContact CG1-CD1 4.05Å; V865-L869 HydrophobicContact CG1-CG 4.09Å; V865-L869 WeakPolarHBondContact O-CG 3.28Å; V865-L869 PolarHBondContact O-N 3.26Å; V865-D891 HydrophobicContact CB-CB 4.13Å; V865-D891 WeakPolarHBondContact CB-OD2 3.14Å; V865-D891 HydrophobicContact CG2-CB 3.76Å; V865-R894 HydrophobicContact CG1-CB 3.95Å
866	G	87.7	Confident	82.8	Confident	22 Å²	22	71.9 Å²	71.9	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-47.2	176.5	0	0	0	0	0	113.6	Y868 L869 E870	G866-Y868 PolarHBondContact O-N 2.91Å; G866-L869 PolarHBondContact O-N 3.33Å; G866-E870 PolarHBondContact O-N 3.11Å; G866-E870 VanDerWaalsContact O-N 3.07Å
867	E	85.9	Confident	82.9	Confident	92 Å²	92	70.6 Å²	70.6	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-27.1	170.1	-72	169.3	155.1	0	0	112.8	R862 K863 T864	R862-E867 PolarHBondContact NH1-O 3.45Å; K863-E867 WeakPolarHBondContact CA-OE2 3.37Å; K863-E867 VanDerWaalsContact CB-OE2 3.3Å; K863-E867 WeakPolarHBondContact CB-OE2 3.36Å; K863-E867 PolarHBondContact N-OE2 2.92Å; T864-E867 PolarHBondContact N-OE2 2.89Å; T864-E867 WeakPolarHBondContact OG1-CB 3.42Å; T864-E867 WeakPolarHBondContact OG1-CG 3.27Å; T864-E867 PolarHBondContact OG1-N 3.03Å; T864-E867 VanDerWaalsContact OG1-N 3.11Å; T864-E867 PolarHBondContact OG1-OE2 2.69Å
868	Y	87.9	Confident	83.2	Confident	19 Å²	19	70.9 Å²	70.9	8%	0.075	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-53.6	174.4	-174.1	-132.2	0	0	0	110.8	P859 R862 T864 V865 G866 M872 L895 F898 Y899	P859-Y868 HydrophobicContact CG-CD2 4Å; P859-Y868 HydrophobicContact CG-CE2 3.52Å; R862-Y868 VanDerWaalsContact NH1-CA 3.3Å; R862-Y868 PolarHBondContact NH1-O 3.05Å; T864-Y868 PolarHBondContact O-N 3.07Å; V865-Y868 CarbonylContact O-C 3.58Å; V865-Y868 WeakPolarHBondContact O-CA 3.35Å; V865-Y868 WeakPolarHBondContact O-CB 3.46Å; V865-Y868 PolarHBondContact O-N 3.02Å; G866-Y868 PolarHBondContact O-N 2.91Å; Y868-M872 HydrophobicContact CD2-CG 4.33Å; Y868-M872 HydrophobicContact CE2-CG 3.91Å; Y868-M872 HydrophobicContact CE2-SD 4.2Å; Y868-M872 WeakPolarHBondContact O-CG 3.45Å; Y868-L895 HydrophobicContact CD1-CD1 4.08Å; Y868-L895 HydrophobicContact CE1-CD1 4.3Å; Y868-F898 AromaticContact CE1-CD1 3.86Å; Y868-F898 HydrophobicContact CE1-CD1 3.86Å; Y868-F898 AromaticContact CE1-CE1 3.44Å; Y868-F898 HydrophobicContact CE1-CE1 3.44Å; Y868-F898 VanDerWaalsContact CE1-CE1 3.44Å; Y868-F898 HydrophobicContact CE1-CE2 4.28Å; Y868-F898 HydrophobicContact CE1-CG 4.47Å; Y868-F898 AromaticContact CE1-CZ 3.68Å; Y868-F898 HydrophobicContact CE1-CZ 3.68Å; Y868-F898 AromaticContact CZ-CE1 3.75Å; Y868-F898 AromaticContact CZ-CZ 3.7Å; Y868-F898 WeakPolarHBondContact OH-CE1 3.43Å; Y868-F898 WeakPolarHBondContact OH-CZ 3.33Å; Y868-Y899 PolarHBondContact OH-OH 3.42Å
869	L	90.5	Very high	84	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-47.7	-177.5	-65.7	176	0	0	0	113.1	V865 G866 L871 M872 K873 W881 F884 W885 R894 F898	V865-L869 HydrophobicContact CG1-CD1 4.05Å; V865-L869 HydrophobicContact CG1-CG 4.09Å; V865-L869 WeakPolarHBondContact O-CG 3.28Å; V865-L869 PolarHBondContact O-N 3.26Å; G866-L869 PolarHBondContact O-N 3.33Å; L869-L871 VanDerWaalsContact C-N 3.29Å; L869-L871 PolarHBondContact O-N 3.48Å; L869-M872 CarbonylContact O-C 3.53Å; L869-M872 WeakPolarHBondContact O-CA 3.27Å; L869-M872 PolarHBondContact O-N 3.09Å; L869-K873 PolarHBondContact O-N 3.35Å; L869-W881 HydrophobicContact CB-CH2 3.77Å; L869-W881 HydrophobicContact CB-CZ3 3.97Å; L869-W881 WeakPolarHBondContact O-CH2 3.34Å; L869-W881 WeakPolarHBondContact O-CZ3 3.35Å; L869-F884 HydrophobicContact CD1-CB 4.03Å; L869-F884 HydrophobicContact CD1-CG 4.28Å; L869-F884 HydrophobicContact CD2-CD2 4.44Å; L869-F884 HydrophobicContact CD2-CG 4.43Å; L869-W885 HydrophobicContact CB-CZ2 4.34Å; L869-W885 HydrophobicContact CD1-CH2 4.22Å; L869-W885 HydrophobicContact CD1-CZ2 4.11Å; L869-R894 HydrophobicContact CD1-CB 4.37Å; L869-F898 HydrophobicContact CD2-CB 3.89Å; L869-F898 HydrophobicContact CD2-CD2 3.51Å; L869-F898 HydrophobicContact CD2-CE2 4.39Å; L869-F898 HydrophobicContact CD2-CG 3.97Å
870	E	89	Confident	85.2	Confident	98 Å²	98	69.8 Å²	69.8	46%	0.458	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-30.9	-170.7	-171.1	65.6	-155	0	0	113.1	G866 K873 W881	G866-E870 PolarHBondContact O-N 3.11Å; G866-E870 VanDerWaalsContact O-N 3.07Å; E870-K873 WeakPolarHBondContact O-CB 3.34Å; E870-K873 VanDerWaalsContact OE1-CD 3.25Å; E870-K873 WeakPolarHBondContact OE1-CD 3.28Å; E870-K873 IonicContact OE1-NZ 2.62Å; E870-K873 PolarHBondContact OE1-NZ 3Å; E870-K873 IonicContact OE2-NZ 2.64Å; E870-K873 PolarHBondContact OE2-NZ 2.97Å; E870-W881 WeakPolarHBondContact OE2-CZ2 3.2Å
871	L	86.1	Confident	86.4	Confident	125 Å²	125	62 Å²	62	65%	0.654	33%	0.327	S	S	*	.	H	α-helix	trans	-74.6	-28	171.9	-156.7	83.8	0	0	0	112.8	R862 L869 K873	R862-L871 VanDerWaalsContact NH2-CD2 3.31Å; L869-L871 VanDerWaalsContact C-N 3.29Å; L869-L871 PolarHBondContact O-N 3.48Å; L871-K873 VanDerWaalsContact C-N 3.32Å
872	M	89.2	Confident	88.1	Confident	31 Å²	31	58.2 Å²	58.2	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-87	-4.6	-179.6	-55.6	-55.8	-63.4	0	0	112.5	Y868 L869 S874 N875 F876 F898 W902	Y868-M872 HydrophobicContact CD2-CG 4.33Å; Y868-M872 HydrophobicContact CE2-CG 3.91Å; Y868-M872 HydrophobicContact CE2-SD 4.2Å; Y868-M872 WeakPolarHBondContact O-CG 3.45Å; L869-M872 CarbonylContact O-C 3.53Å; L869-M872 WeakPolarHBondContact O-CA 3.27Å; L869-M872 PolarHBondContact O-N 3.09Å; M872-S874 VanDerWaalsContact C-N 3.3Å; M872-S874 PolarHBondContact O-N 3.47Å; M872-N875 WeakPolarHBondContact O-CB 3.45Å; M872-N875 PolarHBondContact O-N 3.19Å; M872-N875 PolarHBondContact O-ND2 2.69Å; M872-F876 HydrophobicContact CB-CE2 4.12Å; M872-F876 WeakPolarHBondContact O-CD2 3.18Å; M872-F876 WeakPolarHBondContact O-CE2 3.47Å; M872-F898 HydrophobicContact CB-CE2 3.7Å; M872-F898 HydrophobicContact CB-CZ 4.29Å; M872-F898 HydrophobicContact CE-CZ 4.32Å; M872-F898 HydrophobicContact CG-CE2 3.88Å; M872-F898 HydrophobicContact CG-CZ 4.03Å; M872-W902 HydrophobicContact CE-CE3 4.38Å; M872-W902 HydrophobicContact CE-CH2 3.57Å; M872-W902 HydrophobicContact CE-CZ3 3.42Å; M872-W902 VanDerWaalsContact CE-CZ3 3.42Å
873	K	91.8	Very high	89.5	Confident	85 Å²	85	57.3 Å²	57.3	37%	0.37	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-48.5	-39.9	-175.8	-179	172.3	-171	172.1	0	115.6	L869 E870 L871 N875 F876 W881	L869-K873 PolarHBondContact O-N 3.35Å; E870-K873 WeakPolarHBondContact O-CB 3.34Å; E870-K873 VanDerWaalsContact OE1-CD 3.25Å; E870-K873 WeakPolarHBondContact OE1-CD 3.28Å; E870-K873 IonicContact OE1-NZ 2.62Å; E870-K873 PolarHBondContact OE1-NZ 3Å; E870-K873 IonicContact OE2-NZ 2.64Å; E870-K873 PolarHBondContact OE2-NZ 2.97Å; L871-K873 VanDerWaalsContact C-N 3.32Å; K873-N875 PolarHBondContact O-N 2.79Å; K873-F876 PolarHBondContact O-N 3.48Å; K873-W881 HydrophobicContact CB-CD2 4.35Å; K873-W881 HydrophobicContact CB-CE3 3.95Å; K873-W881 HydrophobicContact CB-CH2 3.93Å; K873-W881 HydrophobicContact CB-CZ2 4.31Å; K873-W881 HydrophobicContact CB-CZ3 3.73Å; K873-W881 HydrophobicContact CD-CD2 4.31Å; K873-W881 HydrophobicContact CD-CH2 4.27Å; K873-W881 HydrophobicContact CD-CZ2 3.85Å; K873-W881 HydrophobicContact CG-CD2 3.74Å; K873-W881 HydrophobicContact CG-CE3 3.85Å; K873-W881 HydrophobicContact CG-CG 4.38Å; K873-W881 HydrophobicContact CG-CH2 4.15Å; K873-W881 HydrophobicContact CG-CZ2 4.04Å; K873-W881 HydrophobicContact CG-CZ3 4.05Å
874	S	90.7	Very high	90.7	Very high	88 Å²	88	48.2 Å²	48.2	62%	0.615	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-65.6	-7.5	179.3	59.1	0	0	0	0	114.5	M872	M872-S874 VanDerWaalsContact C-N 3.3Å; M872-S874 PolarHBondContact O-N 3.47Å
875	N	92.3	Very high	91.1	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.182	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-97.1	3.4	-179.7	-51.1	-70.6	0	0	0	113.3	M872 K873 W902 K905 L920	M872-N875 WeakPolarHBondContact O-CB 3.45Å; M872-N875 PolarHBondContact O-N 3.19Å; M872-N875 PolarHBondContact O-ND2 2.69Å; K873-N875 PolarHBondContact O-N 2.79Å; N875-W902 HydrophobicContact CB-CZ3 4.01Å; N875-K905 WeakPolarHBondContact O-CD 3.23Å; N875-K905 WeakPolarHBondContact O-CE 3.37Å; N875-K905 PolarHBondContact O-NZ 3.35Å; N875-L920 HydrophobicContact CB-CB 4.09Å; N875-L920 HydrophobicContact CB-CD1 3.87Å; N875-L920 CarbonylContact O-C 3.6Å; N875-L920 WeakPolarHBondContact O-CB 3.23Å
876	F	94.2	Very high	91.2	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	-126	152.6	-176.2	-59.4	-77.7	0	0	0	111.4	M872 K873 E880 W881 F884 F898 W902	M872-F876 HydrophobicContact CB-CE2 4.12Å; M872-F876 WeakPolarHBondContact O-CD2 3.18Å; M872-F876 WeakPolarHBondContact O-CE2 3.47Å; K873-F876 PolarHBondContact O-N 3.48Å; F876-E880 VanDerWaalsContact CA-OE2 3.22Å; F876-E880 WeakPolarHBondContact CA-OE2 3.44Å; F876-E880 HydrophobicContact CB-CB 4.09Å; F876-E880 WeakPolarHBondContact CB-OE2 3.43Å; F876-E880 HydrophobicContact CD1-CB 4.46Å; F876-W881 HydrophobicContact CB-CB 4.48Å; F876-W881 HydrophobicContact CD2-CE3 4.42Å; F876-F884 HydrophobicContact CB-CE2 4.44Å; F876-F884 HydrophobicContact CD1-CE2 4.07Å; F876-F884 AromaticContact CD1-CZ 3.86Å; F876-F884 HydrophobicContact CD1-CZ 3.86Å; F876-F884 AromaticContact CD2-CE2 3.9Å; F876-F884 HydrophobicContact CD2-CE2 3.9Å; F876-F884 HydrophobicContact CD2-CZ 4.32Å; F876-F884 HydrophobicContact CE1-CE2 4.34Å; F876-F884 AromaticContact CE1-CZ 3.82Å; F876-F884 HydrophobicContact CE1-CZ 3.82Å; F876-F884 HydrophobicContact CE2-CE2 4.18Å; F876-F884 HydrophobicContact CE2-CZ 4.26Å; F876-F884 AromaticContact CG-CE2 3.85Å; F876-F884 HydrophobicContact CG-CE2 3.85Å; F876-F884 HydrophobicContact CG-CZ 4.12Å; F876-F884 HydrophobicContact CZ-CE2 4.39Å; F876-F884 HydrophobicContact CZ-CZ 4.02Å; F876-F898 AromaticContact CE2-CD2 3.83Å; F876-F898 HydrophobicContact CE2-CD2 3.83Å; F876-F898 AromaticContact CE2-CE2 3.61Å; F876-F898 HydrophobicContact CE2-CE2 3.61Å; F876-F898 AromaticContact CZ-CD2 3.49Å; F876-F898 HydrophobicContact CZ-CD2 3.49Å; F876-F898 VanDerWaalsContact CZ-CD2 3.49Å; F876-F898 AromaticContact CZ-CE2 3.44Å; F876-F898 HydrophobicContact CZ-CE2 3.44Å; F876-F898 VanDerWaalsContact CZ-CE2 3.44Å; F876-F898 HydrophobicContact CZ-CG 4.48Å; F876-F898 HydrophobicContact CZ-CZ 4.37Å; F876-W902 HydrophobicContact CZ-CE3 4.11Å
877	S	94.3	Very high	91.2	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.028	32%	0.316	C	S	.	.			trans	-67.3	160.4	170.9	96	0	0	0	0	110.3	N879 E880 W881 S921 D924	S877-N879 PolarHBondContact O-N 3.38Å; S877-N879 PolarHBondContact OG-N 2.6Å; S877-N879 VanDerWaalsContact OG-N 3.07Å; S877-E880 PolarHBondContact N-OE2 2.98Å; S877-E880 PolarHBondContact O-N 3.28Å; S877-E880 WeakPolarHBondContact OG-CG 3.3Å; S877-E880 PolarHBondContact OG-N 2.87Å; S877-W881 WeakPolarHBondContact O-CB 3.5Å; S877-W881 PolarHBondContact O-N 3.19Å; S877-S921 WeakPolarHBondContact CA-O 3.16Å; S877-D924 WeakPolarHBondContact CB-OD1 3.42Å; S877-D924 PolarHBondContact OG-OD1 2.82Å
878	P	92.8	Very high	91.2	Very high	109 Å²	109	60 Å²	60	71%	0.708	33%	0.333	S	S	*	.	H	α-helix	trans	-57.4	-30.2	171.7	-25.7	35.7	0	0	0	113.8	A882	P878-A882 PolarHBondContact O-N 2.86Å
879	N	93	Very high	91.2	Very high	89 Å²	89	61.1 Å²	61.1	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-74.8	-52.7	178	-53.3	-39.1	0	0	0	110.6	S877 W881 A882 T883 D924	S877-N879 PolarHBondContact O-N 3.38Å; S877-N879 PolarHBondContact OG-N 2.6Å; S877-N879 VanDerWaalsContact OG-N 3.07Å; N879-W881 VanDerWaalsContact C-N 3.27Å; N879-W881 PolarHBondContact O-N 3.2Å; N879-A882 WeakPolarHBondContact O-CB 3.46Å; N879-A882 PolarHBondContact O-N 3.33Å; N879-A882 VanDerWaalsContact O-N 3.09Å; N879-T883 WeakPolarHBondContact O-CG2 3.49Å; N879-T883 PolarHBondContact O-N 2.66Å; N879-D924 WeakPolarHBondContact CB-OD1 3.16Å; N879-D924 VanDerWaalsContact ND2-CG 3.35Å; N879-D924 PolarHBondContact ND2-OD1 3.34Å; N879-D924 PolarHBondContact ND2-OD2 2.77Å; N879-D924 VanDerWaalsContact ND2-OD2 3.13Å
880	E	95	Very high	91.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-54.3	-46.6	176.2	-65.6	174.7	156.7	0	0	110.4	F876 S877 A882 T883 Y901 K905 F925	F876-E880 VanDerWaalsContact CA-OE2 3.22Å; F876-E880 WeakPolarHBondContact CA-OE2 3.44Å; F876-E880 HydrophobicContact CB-CB 4.09Å; F876-E880 WeakPolarHBondContact CB-OE2 3.43Å; F876-E880 HydrophobicContact CD1-CB 4.46Å; S877-E880 PolarHBondContact N-OE2 2.98Å; S877-E880 PolarHBondContact O-N 3.28Å; S877-E880 WeakPolarHBondContact OG-CG 3.3Å; S877-E880 PolarHBondContact OG-N 2.87Å; E880-A882 VanDerWaalsContact C-N 3.3Å; E880-A882 PolarHBondContact O-N 3.32Å; E880-T883 WeakPolarHBondContact O-CB 3.34Å; E880-T883 PolarHBondContact O-N 2.91Å; E880-T883 PolarHBondContact O-OG1 3.48Å; E880-Y901 HydrophobicContact CB-CE1 4.28Å; E880-Y901 HydrophobicContact CB-CE2 4.24Å; E880-Y901 HydrophobicContact CG-CD1 4.02Å; E880-Y901 HydrophobicContact CG-CE1 3.65Å; E880-Y901 HydrophobicContact CG-CE2 4.49Å; E880-K905 VanDerWaalsContact CD-NZ 3.25Å; E880-K905 WeakPolarHBondContact OE1-CE 3.43Å; E880-K905 IonicContact OE1-NZ 3.4Å; E880-K905 PolarHBondContact OE1-NZ 3.19Å; E880-K905 WeakPolarHBondContact OE2-CE 3.48Å; E880-K905 IonicContact OE2-NZ 3.46Å; E880-K905 PolarHBondContact OE2-NZ 2.81Å; E880-F925 WeakPolarHBondContact OE1-CB 3.42Å; E880-F925 PolarHBondContact OE1-N 2.78Å
881	W	94.3	Very high	91.3	Very high	35 Å²	35	64.4 Å²	64.4	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-39.6	177.9	-178.8	-102.2	0	0	0	112.8	L869 E870 K873 F876 S877 N879 T883 F884 W885	L869-W881 HydrophobicContact CB-CH2 3.77Å; L869-W881 HydrophobicContact CB-CZ3 3.97Å; L869-W881 WeakPolarHBondContact O-CH2 3.34Å; L869-W881 WeakPolarHBondContact O-CZ3 3.35Å; E870-W881 WeakPolarHBondContact OE2-CZ2 3.2Å; K873-W881 HydrophobicContact CB-CD2 4.35Å; K873-W881 HydrophobicContact CB-CE3 3.95Å; K873-W881 HydrophobicContact CB-CH2 3.93Å; K873-W881 HydrophobicContact CB-CZ2 4.31Å; K873-W881 HydrophobicContact CB-CZ3 3.73Å; K873-W881 HydrophobicContact CD-CD2 4.31Å; K873-W881 HydrophobicContact CD-CH2 4.27Å; K873-W881 HydrophobicContact CD-CZ2 3.85Å; K873-W881 HydrophobicContact CG-CD2 3.74Å; K873-W881 HydrophobicContact CG-CE3 3.85Å; K873-W881 HydrophobicContact CG-CG 4.38Å; K873-W881 HydrophobicContact CG-CH2 4.15Å; K873-W881 HydrophobicContact CG-CZ2 4.04Å; K873-W881 HydrophobicContact CG-CZ3 4.05Å; F876-W881 HydrophobicContact CB-CB 4.48Å; F876-W881 HydrophobicContact CD2-CE3 4.42Å; S877-W881 WeakPolarHBondContact O-CB 3.5Å; S877-W881 PolarHBondContact O-N 3.19Å; N879-W881 VanDerWaalsContact C-N 3.27Å; N879-W881 PolarHBondContact O-N 3.2Å; W881-T883 VanDerWaalsContact C-N 3.32Å; W881-T883 PolarHBondContact O-N 3.25Å; W881-F884 HydrophobicContact CD2-CD2 4.33Å; W881-F884 AromaticContact CE3-CD2 3.67Å; W881-F884 HydrophobicContact CE3-CD2 3.67Å; W881-F884 AromaticContact CE3-CE2 3.86Å; W881-F884 HydrophobicContact CE3-CE2 3.86Å; W881-F884 AromaticContact CZ3-CD2 3.95Å; W881-F884 HydrophobicContact CZ3-CD2 3.95Å; W881-F884 HydrophobicContact CZ3-CE2 4.23Å; W881-W885 AromaticContact CE2-NE1 3.37Å; W881-W885 HydrophobicContact CH2-CZ2 4.06Å; W881-W885 AromaticContact CH2-NE1 3.88Å; W881-W885 AromaticContact CZ2-CE2 3.87Å; W881-W885 AromaticContact CZ2-CZ2 3.91Å; W881-W885 HydrophobicContact CZ2-CZ2 3.91Å; W881-W885 AromaticContact CZ2-NE1 3.21Å; W881-W885 AromaticContact NE1-NE1 3.63Å
882	A	93.4	Very high	91.4	Very high	61 Å²	61	61.9 Å²	61.9	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-32.9	175.9	0	0	0	0	0	112.5	P878 N879 E880 F884 W885	P878-A882 PolarHBondContact O-N 2.86Å; N879-A882 WeakPolarHBondContact O-CB 3.46Å; N879-A882 PolarHBondContact O-N 3.33Å; N879-A882 VanDerWaalsContact O-N 3.09Å; E880-A882 VanDerWaalsContact C-N 3.3Å; E880-A882 PolarHBondContact O-N 3.32Å; A882-F884 VanDerWaalsContact C-N 3.33Å; A882-F884 PolarHBondContact O-N 3.01Å; A882-W885 PolarHBondContact O-N 3.44Å; A882-W885 VanDerWaalsContact O-N 3.15Å
883	T	92.7	Very high	91.5	Very high	48 Å²	48	61.2 Å²	61.2	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-33.1	-178.8	70.8	0	0	0	0	113.6	N879 E880 W881 W885 S886 L889 Y901	N879-T883 WeakPolarHBondContact O-CG2 3.49Å; N879-T883 PolarHBondContact O-N 2.66Å; E880-T883 WeakPolarHBondContact O-CB 3.34Å; E880-T883 PolarHBondContact O-N 2.91Å; E880-T883 PolarHBondContact O-OG1 3.48Å; W881-T883 VanDerWaalsContact C-N 3.32Å; W881-T883 PolarHBondContact O-N 3.25Å; T883-W885 PolarHBondContact O-N 2.86Å; T883-W885 VanDerWaalsContact O-N 3.14Å; T883-S886 WeakPolarHBondContact O-CB 3.47Å; T883-S886 PolarHBondContact O-N 3.32Å; T883-L889 WeakPolarHBondContact O-CD1 3.39Å; T883-Y901 WeakPolarHBondContact OG1-CE2 3.39Å
884	F	93	Very high	91.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25	176.2	-59.8	-48.3	0	0	0	113.3	L869 F876 W881 A882 R894 L897 F898 Y901	L869-F884 HydrophobicContact CD1-CB 4.03Å; L869-F884 HydrophobicContact CD1-CG 4.28Å; L869-F884 HydrophobicContact CD2-CD2 4.44Å; L869-F884 HydrophobicContact CD2-CG 4.43Å; F876-F884 HydrophobicContact CB-CE2 4.44Å; F876-F884 HydrophobicContact CD1-CE2 4.07Å; F876-F884 AromaticContact CD1-CZ 3.86Å; F876-F884 HydrophobicContact CD1-CZ 3.86Å; F876-F884 AromaticContact CD2-CE2 3.9Å; F876-F884 HydrophobicContact CD2-CE2 3.9Å; F876-F884 HydrophobicContact CD2-CZ 4.32Å; F876-F884 HydrophobicContact CE1-CE2 4.34Å; F876-F884 AromaticContact CE1-CZ 3.82Å; F876-F884 HydrophobicContact CE1-CZ 3.82Å; F876-F884 HydrophobicContact CE2-CE2 4.18Å; F876-F884 HydrophobicContact CE2-CZ 4.26Å; F876-F884 AromaticContact CG-CE2 3.85Å; F876-F884 HydrophobicContact CG-CE2 3.85Å; F876-F884 HydrophobicContact CG-CZ 4.12Å; F876-F884 HydrophobicContact CZ-CE2 4.39Å; F876-F884 HydrophobicContact CZ-CZ 4.02Å; W881-F884 HydrophobicContact CD2-CD2 4.33Å; W881-F884 AromaticContact CE3-CD2 3.67Å; W881-F884 HydrophobicContact CE3-CD2 3.67Å; W881-F884 AromaticContact CE3-CE2 3.86Å; W881-F884 HydrophobicContact CE3-CE2 3.86Å; W881-F884 AromaticContact CZ3-CD2 3.95Å; W881-F884 HydrophobicContact CZ3-CD2 3.95Å; W881-F884 HydrophobicContact CZ3-CE2 4.23Å; A882-F884 VanDerWaalsContact C-N 3.33Å; A882-F884 PolarHBondContact O-N 3.01Å; F884-R894 WeakPolarHBondContact O-CD 3.35Å; F884-R894 WeakPolarHBondContact O-CG 3.28Å; F884-R894 PolarHBondContact O-NE 3.11Å; F884-L897 HydrophobicContact CD1-CB 4.34Å; F884-L897 HydrophobicContact CD1-CD2 4.02Å; F884-L897 HydrophobicContact CD1-CG 4.02Å; F884-L897 HydrophobicContact CE1-CB 4.35Å; F884-L897 HydrophobicContact CE1-CD2 4.43Å; F884-L897 HydrophobicContact CE1-CG 3.96Å; F884-F898 HydrophobicContact CE1-CB 4.06Å; F884-F898 HydrophobicContact CZ-CB 4.45Å; F884-F898 HydrophobicContact CZ-CD2 4.45Å; F884-Y901 AromaticContact CE1-CD2 3.77Å; F884-Y901 HydrophobicContact CE1-CD2 3.77Å; F884-Y901 HydrophobicContact CE1-CE2 4.24Å; F884-Y901 AromaticContact CZ-CD2 3.86Å; F884-Y901 HydrophobicContact CZ-CD2 3.86Å; F884-Y901 HydrophobicContact CZ-CE2 4.48Å
885	W	92.5	Very high	91.5	Very high	116 Å²	116	55.8 Å²	55.8	44%	0.439	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	13.1	-178.2	-52.9	107.9	0	0	0	112.7	L869 W881 A882 T883	L869-W885 HydrophobicContact CB-CZ2 4.34Å; L869-W885 HydrophobicContact CD1-CH2 4.22Å; L869-W885 HydrophobicContact CD1-CZ2 4.11Å; W881-W885 AromaticContact CE2-NE1 3.37Å; W881-W885 HydrophobicContact CH2-CZ2 4.06Å; W881-W885 AromaticContact CH2-NE1 3.88Å; W881-W885 AromaticContact CZ2-CE2 3.87Å; W881-W885 AromaticContact CZ2-CZ2 3.91Å; W881-W885 HydrophobicContact CZ2-CZ2 3.91Å; W881-W885 AromaticContact CZ2-NE1 3.21Å; W881-W885 AromaticContact NE1-NE1 3.63Å; A882-W885 PolarHBondContact O-N 3.44Å; A882-W885 VanDerWaalsContact O-N 3.15Å; T883-W885 PolarHBondContact O-N 2.86Å; T883-W885 VanDerWaalsContact O-N 3.14Å
886	S	89.1	Confident	91.5	Very high	44 Å²	44	57 Å²	57	31%	0.308	32%	0.322	S	S	.	.			trans	-54.5	133.4	166.5	179.7	0	0	0	0	110.7	T883 N888 L889	T883-S886 WeakPolarHBondContact O-CB 3.47Å; T883-S886 PolarHBondContact O-N 3.32Å; S886-N888 PolarHBondContact O-N 3.5Å; S886-N888 VanDerWaalsContact O-N 3.15Å; S886-L889 PolarHBondContact O-N 2.94Å
887	P	87.2	Confident	91.4	Very high	119 Å²	119	57.6 Å²	57.6	77%	0.773	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	-177	28.1	-36	0	0	0	113.4	L889	P887-L889 VanDerWaalsContact C-N 3.31Å
888	N	86.8	Confident	91.4	Very high	148 Å²	148	57.4 Å²	57.4	79%	0.791	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.8	-179.1	-62	-3	0	0	0	113.3	S886	S886-N888 PolarHBondContact O-N 3.5Å; S886-N888 VanDerWaalsContact O-N 3.15Å
889	L	88.4	Confident	91.4	Very high	43 Å²	43	53 Å²	53	23%	0.225	29%	0.293	C	S	.	.			trans	-106.9	128	178.5	-61.4	175.2	0	0	0	111.1	T883 S886 P887 R894 L897	T883-L889 WeakPolarHBondContact O-CD1 3.39Å; S886-L889 PolarHBondContact O-N 2.94Å; P887-L889 VanDerWaalsContact C-N 3.31Å; L889-R894 HydrophobicContact CB-CG 4.02Å; L889-R894 VanDerWaalsContact O-CZ 3.22Å; L889-R894 PolarHBondContact O-NH1 3.37Å; L889-R894 PolarHBondContact O-NH2 3.4Å; L889-L897 HydrophobicContact CD1-CD2 3.54Å
890	D	91.2	Very high	91.4	Very high	98 Å²	98	49.4 Å²	49.4	52%	0.524	27%	0.273	S	S	.	.			trans	-82.7	179.4	161	81.3	-47.2	0	0	0	110.4	S892 G893 R894	D890-S892 PolarHBondContact O-N 2.84Å; D890-S892 PolarHBondContact OD1-N 3.48Å; D890-S892 WeakPolarHBondContact OD2-CB 3.37Å; D890-S892 PolarHBondContact OD2-N 3.06Å; D890-S892 VanDerWaalsContact OD2-N 3.11Å; D890-G893 PolarHBondContact O-N 3.36Å; D890-G893 PolarHBondContact OD1-N 3.14Å; D890-R894 WeakPolarHBondContact O-CG 3.45Å; D890-R894 PolarHBondContact O-N 2.87Å
891	D	89.9	Confident	91.4	Very high	68 Å²	68	49.8 Å²	49.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-26.3	179.6	-90.3	21.8	0	0	0	113	V865 R894 L895	V865-D891 HydrophobicContact CB-CB 4.13Å; V865-D891 WeakPolarHBondContact CB-OD2 3.14Å; V865-D891 HydrophobicContact CG2-CB 3.76Å; D891-R894 IonicContact OD1-CZ 2.72Å; D891-R894 IonicContact OD1-NH1 3.75Å; D891-R894 PolarHBondContact OD1-NH1 3.42Å; D891-L895 WeakPolarHBondContact O-CB 3.42Å; D891-L895 PolarHBondContact O-N 3.17Å
892	S	88.5	Confident	91.5	Very high	72 Å²	72	50 Å²	50	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-68.6	-48.5	171.4	-169.1	0	0	0	0	111.8	D890 R894 L895 R896	D890-S892 PolarHBondContact O-N 2.84Å; D890-S892 PolarHBondContact OD1-N 3.48Å; D890-S892 WeakPolarHBondContact OD2-CB 3.37Å; D890-S892 PolarHBondContact OD2-N 3.06Å; D890-S892 VanDerWaalsContact OD2-N 3.11Å; S892-R894 PolarHBondContact O-N 3.3Å; S892-L895 PolarHBondContact O-N 2.94Å; S892-R896 PolarHBondContact O-N 3.31Å
893	G	90.3	Very high	91.5	Very high	18 Å²	18	47.1 Å²	47.1	19%	0.186	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-42.1	174.9	0	0	0	0	0	112.6	D890 R896 L897	D890-G893 PolarHBondContact O-N 3.36Å; D890-G893 PolarHBondContact OD1-N 3.14Å; G893-R896 PolarHBondContact O-N 3.05Å; G893-L897 VanDerWaalsContact O-CB 3.29Å; G893-L897 WeakPolarHBondContact O-CB 3.32Å; G893-L897 PolarHBondContact O-N 3.18Å
894	R	92.4	Very high	91.7	Very high	42 Å²	42	44.8 Å²	44.8	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-48.1	172.4	-74.5	-178.8	-174	102.7	20.6	112.2	V865 L869 F884 L889 D890 D891 S892 L897 F898	V865-R894 HydrophobicContact CG1-CB 3.95Å; L869-R894 HydrophobicContact CD1-CB 4.37Å; F884-R894 WeakPolarHBondContact O-CD 3.35Å; F884-R894 WeakPolarHBondContact O-CG 3.28Å; F884-R894 PolarHBondContact O-NE 3.11Å; L889-R894 HydrophobicContact CB-CG 4.02Å; L889-R894 VanDerWaalsContact O-CZ 3.22Å; L889-R894 PolarHBondContact O-NH1 3.37Å; L889-R894 PolarHBondContact O-NH2 3.4Å; D890-R894 WeakPolarHBondContact O-CG 3.45Å; D890-R894 PolarHBondContact O-N 2.87Å; D891-R894 IonicContact OD1-CZ 2.72Å; D891-R894 IonicContact OD1-NH1 3.75Å; D891-R894 PolarHBondContact OD1-NH1 3.42Å; S892-R894 PolarHBondContact O-N 3.3Å; R894-L897 PolarHBondContact O-N 2.97Å; R894-F898 WeakPolarHBondContact O-CB 3.42Å; R894-F898 PolarHBondContact O-N 3.17Å
895	L	91	Very high	91.8	Very high	17 Å²	17	45 Å²	45	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-40.3	-179.9	-166.5	68.4	0	0	0	111.5	I858 Y868 D891 S892 F898 Y899	I858-L895 HydrophobicContact CG1-CD1 4.09Å; I858-L895 HydrophobicContact CG1-CD2 3.79Å; Y868-L895 HydrophobicContact CD1-CD1 4.08Å; Y868-L895 HydrophobicContact CE1-CD1 4.3Å; D891-L895 WeakPolarHBondContact O-CB 3.42Å; D891-L895 PolarHBondContact O-N 3.17Å; S892-L895 PolarHBondContact O-N 2.94Å; L895-F898 PolarHBondContact O-N 3.05Å; L895-Y899 HydrophobicContact CD1-CD2 4.24Å; L895-Y899 HydrophobicContact CD1-CE2 3.68Å; L895-Y899 HydrophobicContact CG-CD2 4.08Å; L895-Y899 HydrophobicContact CG-CE2 3.88Å; L895-Y899 WeakPolarHBondContact O-CD2 3.38Å; L895-Y899 PolarHBondContact O-N 2.93Å; L895-Y899 VanDerWaalsContact O-N 3.14Å
896	R	91.5	Very high	91.9	Very high	60 Å²	60	40.6 Å²	40.6	23%	0.226	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-44.5	173.7	-171.1	178.3	-61.8	-86.5	-5.9	111.9	L856 S892 G893 Y899 R900 D961 V964	L856-R896 HydrophobicContact CD1-CB 4.04Å; L856-R896 HydrophobicContact CD1-CG 3.95Å; L856-R896 VanDerWaalsContact CD1-CZ 3.41Å; S892-R896 PolarHBondContact O-N 3.31Å; G893-R896 PolarHBondContact O-N 3.05Å; R896-Y899 PolarHBondContact O-N 3.43Å; R896-R900 PolarHBondContact O-N 3.44Å; R896-D961 PolarHBondContact NH1-O 3.47Å; R896-D961 VanDerWaalsContact NH1-O 3.1Å; R896-D961 PolarHBondContact NH2-O 3.02Å; R896-V964 HydrophobicContact CG-CG2 4.3Å
897	L	92.3	Very high	92.2	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-40.2	178.9	-175.1	57.4	0	0	0	111.9	F884 L889 G893 R894 Y899 R900 Y901 L927	F884-L897 HydrophobicContact CD1-CB 4.34Å; F884-L897 HydrophobicContact CD1-CD2 4.02Å; F884-L897 HydrophobicContact CD1-CG 4.02Å; F884-L897 HydrophobicContact CE1-CB 4.35Å; F884-L897 HydrophobicContact CE1-CD2 4.43Å; F884-L897 HydrophobicContact CE1-CG 3.96Å; L889-L897 HydrophobicContact CD1-CD2 3.54Å; G893-L897 VanDerWaalsContact O-CB 3.29Å; G893-L897 WeakPolarHBondContact O-CB 3.32Å; G893-L897 PolarHBondContact O-N 3.18Å; R894-L897 PolarHBondContact O-N 2.97Å; L897-Y899 PolarHBondContact O-N 2.97Å; L897-R900 PolarHBondContact O-N 2.86Å; L897-Y901 HydrophobicContact CD1-CD2 3.94Å; L897-Y901 HydrophobicContact CD1-CE2 3.56Å; L897-Y901 HydrophobicContact CD2-CE2 4.32Å; L897-Y901 HydrophobicContact CG-CD2 3.98Å; L897-Y901 HydrophobicContact CG-CE2 3.76Å; L897-Y901 WeakPolarHBondContact O-CD2 3.33Å; L897-Y901 PolarHBondContact O-N 3.36Å; L897-L927 HydrophobicContact CD1-CD1 3.45Å; L897-L927 VanDerWaalsContact CD1-CD1 3.45Å
898	F	93.7	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-49.8	173	170.6	-89.6	0	0	0	111.6	Y868 L869 M872 F876 F884 R894 L895 Y901 W902	Y868-F898 AromaticContact CE1-CD1 3.86Å; Y868-F898 HydrophobicContact CE1-CD1 3.86Å; Y868-F898 AromaticContact CE1-CE1 3.44Å; Y868-F898 HydrophobicContact CE1-CE1 3.44Å; Y868-F898 VanDerWaalsContact CE1-CE1 3.44Å; Y868-F898 HydrophobicContact CE1-CE2 4.28Å; Y868-F898 HydrophobicContact CE1-CG 4.47Å; Y868-F898 AromaticContact CE1-CZ 3.68Å; Y868-F898 HydrophobicContact CE1-CZ 3.68Å; Y868-F898 AromaticContact CZ-CE1 3.75Å; Y868-F898 AromaticContact CZ-CZ 3.7Å; Y868-F898 WeakPolarHBondContact OH-CE1 3.43Å; Y868-F898 WeakPolarHBondContact OH-CZ 3.33Å; L869-F898 HydrophobicContact CD2-CB 3.89Å; L869-F898 HydrophobicContact CD2-CD2 3.51Å; L869-F898 HydrophobicContact CD2-CE2 4.39Å; L869-F898 HydrophobicContact CD2-CG 3.97Å; M872-F898 HydrophobicContact CB-CE2 3.7Å; M872-F898 HydrophobicContact CB-CZ 4.29Å; M872-F898 HydrophobicContact CE-CZ 4.32Å; M872-F898 HydrophobicContact CG-CE2 3.88Å; M872-F898 HydrophobicContact CG-CZ 4.03Å; F876-F898 AromaticContact CE2-CD2 3.83Å; F876-F898 HydrophobicContact CE2-CD2 3.83Å; F876-F898 AromaticContact CE2-CE2 3.61Å; F876-F898 HydrophobicContact CE2-CE2 3.61Å; F876-F898 AromaticContact CZ-CD2 3.49Å; F876-F898 HydrophobicContact CZ-CD2 3.49Å; F876-F898 VanDerWaalsContact CZ-CD2 3.49Å; F876-F898 AromaticContact CZ-CE2 3.44Å; F876-F898 HydrophobicContact CZ-CE2 3.44Å; F876-F898 VanDerWaalsContact CZ-CE2 3.44Å; F876-F898 HydrophobicContact CZ-CG 4.48Å; F876-F898 HydrophobicContact CZ-CZ 4.37Å; F884-F898 HydrophobicContact CE1-CB 4.06Å; F884-F898 HydrophobicContact CZ-CB 4.45Å; F884-F898 HydrophobicContact CZ-CD2 4.45Å; R894-F898 WeakPolarHBondContact O-CB 3.42Å; R894-F898 PolarHBondContact O-N 3.17Å; L895-F898 PolarHBondContact O-N 3.05Å; F898-Y901 PolarHBondContact O-N 2.7Å; F898-W902 HydrophobicContact CE1-CE3 4.42Å; F898-W902 HydrophobicContact CE2-CE3 4.24Å; F898-W902 HydrophobicContact CZ-CD2 4.48Å; F898-W902 AromaticContact CZ-CE3 3.78Å; F898-W902 HydrophobicContact CZ-CE3 3.78Å; F898-W902 HydrophobicContact CZ-CZ3 4.29Å; F898-W902 WeakPolarHBondContact O-CB 3.45Å; F898-W902 PolarHBondContact O-N 3.12Å
899	Y	93.7	Very high	92.8	Very high	16 Å²	16	27 Å²	27	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-73.4	-26.8	-179.6	-74.9	-62.4	0	0	0	113.7	M854 L856 Q857 Y868 L895 R896 L897 C903	M854-Y899 HydrophobicContact CB-CD1 3.46Å; M854-Y899 VanDerWaalsContact CB-CD1 3.46Å; M854-Y899 HydrophobicContact CB-CE1 4.18Å; M854-Y899 HydrophobicContact CB-CG 4.02Å; M854-Y899 HydrophobicContact CG-CD1 3.81Å; M854-Y899 HydrophobicContact CG-CE1 4.39Å; M854-Y899 HydrophobicContact SD-CD1 4.39Å; M854-Y899 HydrophobicContact SD-CE1 4.39Å; L856-Y899 HydrophobicContact CD2-CD2 3.57Å; L856-Y899 HydrophobicContact CD2-CG 3.89Å; Q857-Y899 PolarHBondContact O-OH 2.89Å; Q857-Y899 VanDerWaalsContact O-OH 3.05Å; Y868-Y899 PolarHBondContact OH-OH 3.42Å; L895-Y899 HydrophobicContact CD1-CD2 4.24Å; L895-Y899 HydrophobicContact CD1-CE2 3.68Å; L895-Y899 HydrophobicContact CG-CD2 4.08Å; L895-Y899 HydrophobicContact CG-CE2 3.88Å; L895-Y899 WeakPolarHBondContact O-CD2 3.38Å; L895-Y899 PolarHBondContact O-N 2.93Å; L895-Y899 VanDerWaalsContact O-N 3.14Å; R896-Y899 PolarHBondContact O-N 3.43Å; L897-Y899 PolarHBondContact O-N 2.97Å; Y899-C903 WeakPolarHBondContact O-CB 3.27Å; Y899-C903 PolarHBondContact O-N 3.49Å; Y899-C903 PolarHBondContact O-SG 3.37Å; Y899-C903 VanDerWaalsContact O-SG 3.38Å
900	R	93.2	Very high	93	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-56.8	166.1	-78.2	-177	68.6	165.1	1.8	111	R896 L897 W902 C903 L904 F930 E956 V964	R896-R900 PolarHBondContact O-N 3.44Å; L897-R900 PolarHBondContact O-N 2.86Å; R900-W902 VanDerWaalsContact C-N 3.28Å; R900-W902 PolarHBondContact O-N 3.04Å; R900-C903 PolarHBondContact O-N 3.39Å; R900-L904 WeakPolarHBondContact O-CB 3.3Å; R900-L904 WeakPolarHBondContact O-CG 3.32Å; R900-L904 PolarHBondContact O-N 3.46Å; R900-F930 VanDerWaalsContact NH1-CE2 3.34Å; R900-E956 IonicContact CZ-OE1 2.88Å; R900-E956 IonicContact CZ-OE2 3.57Å; R900-E956 IonicContact NE-OE1 3.09Å; R900-E956 PolarHBondContact NE-OE1 3.41Å; R900-E956 IonicContact NH2-OE1 2.75Å; R900-E956 PolarHBondContact NH2-OE1 2.89Å; R900-E956 IonicContact NH2-OE2 3.46Å; R900-E956 PolarHBondContact NH2-OE2 3.22Å; R900-V964 HydrophobicContact CG-CG1 3.96Å
901	Y	95.3	Very high	93	Very high	9 Å²	9	23 Å²	23	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-37.2	178.7	-76.5	-57.9	0	0	0	112.8	E880 T883 F884 L897 F898 L904 K905 F925 L927	E880-Y901 HydrophobicContact CB-CE1 4.28Å; E880-Y901 HydrophobicContact CB-CE2 4.24Å; E880-Y901 HydrophobicContact CG-CD1 4.02Å; E880-Y901 HydrophobicContact CG-CE1 3.65Å; E880-Y901 HydrophobicContact CG-CE2 4.49Å; T883-Y901 WeakPolarHBondContact OG1-CE2 3.39Å; F884-Y901 AromaticContact CE1-CD2 3.77Å; F884-Y901 HydrophobicContact CE1-CD2 3.77Å; F884-Y901 HydrophobicContact CE1-CE2 4.24Å; F884-Y901 AromaticContact CZ-CD2 3.86Å; F884-Y901 HydrophobicContact CZ-CD2 3.86Å; F884-Y901 HydrophobicContact CZ-CE2 4.48Å; L897-Y901 HydrophobicContact CD1-CD2 3.94Å; L897-Y901 HydrophobicContact CD1-CE2 3.56Å; L897-Y901 HydrophobicContact CD2-CE2 4.32Å; L897-Y901 HydrophobicContact CG-CD2 3.98Å; L897-Y901 HydrophobicContact CG-CE2 3.76Å; L897-Y901 WeakPolarHBondContact O-CD2 3.33Å; L897-Y901 PolarHBondContact O-N 3.36Å; F898-Y901 PolarHBondContact O-N 2.7Å; Y901-L904 HydrophobicContact CD1-CD1 4.45Å; Y901-L904 PolarHBondContact O-N 2.98Å; Y901-K905 WeakPolarHBondContact O-CG 3.45Å; Y901-K905 PolarHBondContact O-N 3.43Å; Y901-F925 HydrophobicContact CD1-CB 3.76Å; Y901-F925 HydrophobicContact CE1-CB 3.66Å; Y901-F925 WeakPolarHBondContact CE1-O 3.43Å; Y901-L927 HydrophobicContact CD1-CD1 4.5Å; Y901-L927 HydrophobicContact CD1-CD2 4.24Å; Y901-L927 HydrophobicContact CD1-CG 4.48Å; Y901-L927 HydrophobicContact CE1-CD1 3.81Å; Y901-L927 HydrophobicContact CE1-CD2 3.78Å; Y901-L927 HydrophobicContact CE1-CG 3.62Å; Y901-L927 HydrophobicContact CE2-CD1 4.05Å
902	W	94.5	Very high	92.9	Very high	39 Å²	39	22.3 Å²	22.3	15%	0.148	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-50.4	175.5	-161.7	-80.2	0	0	0	111.6	M872 N875 F876 F898 R900 L904 K905 E906	M872-W902 HydrophobicContact CE-CE3 4.38Å; M872-W902 HydrophobicContact CE-CH2 3.57Å; M872-W902 HydrophobicContact CE-CZ3 3.42Å; M872-W902 VanDerWaalsContact CE-CZ3 3.42Å; N875-W902 HydrophobicContact CB-CZ3 4.01Å; F876-W902 HydrophobicContact CZ-CE3 4.11Å; F898-W902 HydrophobicContact CE1-CE3 4.42Å; F898-W902 HydrophobicContact CE2-CE3 4.24Å; F898-W902 HydrophobicContact CZ-CD2 4.48Å; F898-W902 AromaticContact CZ-CE3 3.78Å; F898-W902 HydrophobicContact CZ-CE3 3.78Å; F898-W902 HydrophobicContact CZ-CZ3 4.29Å; F898-W902 WeakPolarHBondContact O-CB 3.45Å; F898-W902 PolarHBondContact O-N 3.12Å; R900-W902 VanDerWaalsContact C-N 3.28Å; R900-W902 PolarHBondContact O-N 3.04Å; W902-L904 VanDerWaalsContact C-N 3.33Å; W902-L904 PolarHBondContact O-N 3.23Å; W902-K905 PolarHBondContact O-N 3.28Å; W902-E906 WeakPolarHBondContact O-CB 3.31Å; W902-E906 PolarHBondContact O-N 2.89Å
903	C	95	Very high	92.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-36.5	177.3	-73.3	0	0	0	0	112.9	D852 M854 Y899 R900 S907 C966	D852-C903 HydrophobicContact CB-CB 4.19Å; D852-C903 WeakPolarHBondContact OD2-CA 3.4Å; D852-C903 PolarHBondContact OD2-SG 2.62Å; M854-C903 VanDerWaalsContact CB-SG 3.58Å; M854-C903 WeakPolarHBondContact CG-SG 3.3Å; M854-C903 PolarHBondContact N-SG 3.46Å; M854-C903 VanDerWaalsContact N-SG 3.42Å; Y899-C903 WeakPolarHBondContact O-CB 3.27Å; Y899-C903 PolarHBondContact O-N 3.49Å; Y899-C903 PolarHBondContact O-SG 3.37Å; Y899-C903 VanDerWaalsContact O-SG 3.38Å; R900-C903 PolarHBondContact O-N 3.39Å; C903-S907 WeakPolarHBondContact O-CB 2.95Å; C903-S907 PolarHBondContact O-N 3.3Å; C903-S907 PolarHBondContact O-OG 2.94Å; C903-S907 VanDerWaalsContact O-OG 3.1Å; C903-C966 HydrophobicContact CB-CB 3.81Å; C903-C966 WeakPolarHBondContact CB-SG 3.4Å
904	L	95.8	Very high	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-53.6	174.1	-78	167	0	0	0	111.3	R900 Y901 W902 S907 Y908 F925 L927 T940 F954 E956 C966	R900-L904 WeakPolarHBondContact O-CB 3.3Å; R900-L904 WeakPolarHBondContact O-CG 3.32Å; R900-L904 PolarHBondContact O-N 3.46Å; Y901-L904 HydrophobicContact CD1-CD1 4.45Å; Y901-L904 PolarHBondContact O-N 2.98Å; W902-L904 VanDerWaalsContact C-N 3.33Å; W902-L904 PolarHBondContact O-N 3.23Å; L904-S907 PolarHBondContact O-N 2.95Å; L904-S907 PolarHBondContact O-OG 3.37Å; L904-Y908 PolarHBondContact O-N 2.89Å; L904-F925 HydrophobicContact CB-CD1 3.94Å; L904-F925 HydrophobicContact CB-CD2 4.04Å; L904-F925 HydrophobicContact CB-CE1 3.77Å; L904-F925 HydrophobicContact CB-CE2 3.88Å; L904-F925 HydrophobicContact CB-CG 4.06Å; L904-F925 HydrophobicContact CB-CZ 3.74Å; L904-F925 HydrophobicContact CD1-CB 4.33Å; L904-F925 HydrophobicContact CD1-CD1 4Å; L904-F925 HydrophobicContact CD1-CG 4.15Å; L904-F925 HydrophobicContact CD2-CD1 4.16Å; L904-F925 HydrophobicContact CD2-CE1 3.97Å; L904-F925 HydrophobicContact CG-CD1 4.27Å; L904-F925 HydrophobicContact CG-CE1 4.31Å; L904-L927 HydrophobicContact CD1-CD2 3.37Å; L904-T940 HydrophobicContact CD1-CG2 3.91Å; L904-T940 HydrophobicContact CD2-CG2 3.96Å; L904-F954 HydrophobicContact CD2-CB 4.05Å; L904-F954 HydrophobicContact CD2-CD1 3.71Å; L904-F954 HydrophobicContact CD2-CG 4.02Å; L904-E956 HydrophobicContact CD2-CG 3.85Å; L904-E956 HydrophobicContact CG-CG 4.38Å; L904-C966 HydrophobicContact CD2-CB 4.3Å; L904-C966 HydrophobicContact CG-CB 4.48Å
905	K	95.3	Very high	90.2	Very high	3 Å²	3	24 Å²	24	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-48.3	177.2	-69.6	172.3	-168.9	-72.7	0	112.2	N875 E880 Y901 W902 Y908 L909 L920 L923 F925	N875-K905 WeakPolarHBondContact O-CD 3.23Å; N875-K905 WeakPolarHBondContact O-CE 3.37Å; N875-K905 PolarHBondContact O-NZ 3.35Å; E880-K905 VanDerWaalsContact CD-NZ 3.25Å; E880-K905 WeakPolarHBondContact OE1-CE 3.43Å; E880-K905 IonicContact OE1-NZ 3.4Å; E880-K905 PolarHBondContact OE1-NZ 3.19Å; E880-K905 WeakPolarHBondContact OE2-CE 3.48Å; E880-K905 IonicContact OE2-NZ 3.46Å; E880-K905 PolarHBondContact OE2-NZ 2.81Å; Y901-K905 WeakPolarHBondContact O-CG 3.45Å; Y901-K905 PolarHBondContact O-N 3.43Å; W902-K905 PolarHBondContact O-N 3.28Å; K905-Y908 PolarHBondContact O-N 2.97Å; K905-L909 WeakPolarHBondContact O-CG 3.49Å; K905-L909 PolarHBondContact O-N 3.46Å; K905-L920 HydrophobicContact CB-CD2 4.19Å; K905-L920 HydrophobicContact CD-CB 4.47Å; K905-L920 HydrophobicContact CD-CD2 4.33Å; K905-L920 PolarHBondContact NZ-O 2.92Å; K905-L923 HydrophobicContact CB-CD1 4.37Å; K905-L923 HydrophobicContact CG-CB 4.45Å; K905-L923 HydrophobicContact CG-CD1 4.23Å; K905-L923 PolarHBondContact NZ-O 3.49Å; K905-F925 HydrophobicContact CB-CE2 4.33Å; K905-F925 HydrophobicContact CG-CD2 3.96Å; K905-F925 HydrophobicContact CG-CE2 3.66Å
906	E	94.7	Very high	88.8	Confident	25 Å²	25	28.1 Å²	28.1	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-42.5	176.9	-83	-75.2	165.8	0	0	112.3	D852 W902 Y908 L909 K910	D852-E906 HydrophobicContact CB-CB 3.69Å; D852-E906 VanDerWaalsContact CG-CB 3.5Å; W902-E906 WeakPolarHBondContact O-CB 3.31Å; W902-E906 PolarHBondContact O-N 2.89Å; E906-Y908 PolarHBondContact O-N 2.92Å; E906-L909 PolarHBondContact O-N 3.15Å; E906-K910 VanDerWaalsContact O-CB 3.23Å; E906-K910 WeakPolarHBondContact O-CB 3.49Å; E906-K910 WeakPolarHBondContact O-CD 3.34Å; E906-K910 WeakPolarHBondContact O-CG 3.35Å; E906-K910 PolarHBondContact O-N 3.5Å; E906-K910 WeakPolarHBondContact OE2-CE 3.18Å; E906-K910 IonicContact OE2-NZ 2.7Å; E906-K910 PolarHBondContact OE2-NZ 3.37Å
907	S	95.5	Very high	87.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-39.7	178.1	73.8	0	0	0	0	111.6	G850 C903 L904 A911 C966 C968	G850-S907 WeakPolarHBondContact CA-O 3.36Å; C903-S907 WeakPolarHBondContact O-CB 2.95Å; C903-S907 PolarHBondContact O-N 3.3Å; C903-S907 PolarHBondContact O-OG 2.94Å; C903-S907 VanDerWaalsContact O-OG 3.1Å; L904-S907 PolarHBondContact O-N 2.95Å; L904-S907 PolarHBondContact O-OG 3.37Å; S907-A911 WeakPolarHBondContact O-CB 3.29Å; S907-A911 PolarHBondContact O-N 3.33Å; S907-C966 WeakPolarHBondContact CB-O 3.44Å; S907-C968 WeakPolarHBondContact O-CB 3.35Å
908	Y	94.7	Very high	86.2	Confident	22 Å²	22	32.7 Å²	32.7	9%	0.086	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-51.1	173.7	176	-105.7	0	0	0	112.1	L904 K905 E906 K910 A911 V912 L923 L942 I944 L949 V952 F954	L904-Y908 PolarHBondContact O-N 2.89Å; K905-Y908 PolarHBondContact O-N 2.97Å; E906-Y908 PolarHBondContact O-N 2.92Å; Y908-K910 VanDerWaalsContact C-N 3.34Å; Y908-K910 PolarHBondContact O-N 2.78Å; Y908-A911 WeakPolarHBondContact O-CA 3.21Å; Y908-A911 VanDerWaalsContact O-CB 3.28Å; Y908-A911 WeakPolarHBondContact O-CB 3.37Å; Y908-A911 PolarHBondContact O-N 3.21Å; Y908-V912 HydrophobicContact CD2-CG1 4.45Å; Y908-V912 HydrophobicContact CE1-CG1 4.36Å; Y908-V912 HydrophobicContact CE1-CG2 4.44Å; Y908-V912 HydrophobicContact CE2-CG1 3.8Å; Y908-V912 PolarHBondContact O-N 2.83Å; Y908-L923 HydrophobicContact CD1-CD1 3.94Å; Y908-L923 HydrophobicContact CD1-CD2 4.07Å; Y908-L923 HydrophobicContact CE1-CD1 4.46Å; Y908-L923 HydrophobicContact CE1-CD2 3.84Å; Y908-L942 HydrophobicContact CD1-CD2 3.97Å; Y908-L942 HydrophobicContact CD2-CD2 3.55Å; Y908-L942 HydrophobicContact CE1-CD2 4.07Å; Y908-L942 HydrophobicContact CE2-CD2 3.65Å; Y908-L942 HydrophobicContact CG-CD2 3.72Å; Y908-I944 HydrophobicContact CE1-CD1 4.08Å; Y908-I944 WeakPolarHBondContact OH-CD1 3.42Å; Y908-L949 HydrophobicContact CE2-CD2 3.84Å; Y908-V952 HydrophobicContact CD2-CG1 4.27Å; Y908-V952 HydrophobicContact CE2-CG1 4.5Å; Y908-F954 HydrophobicContact CD2-CZ 4.19Å
909	L	92.3	Very high	85.5	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-45.4	177.7	-74	-175	0	0	0	111.9	K905 E906 A911 V912 G913 E914 C918 L920	K905-L909 WeakPolarHBondContact O-CG 3.49Å; K905-L909 PolarHBondContact O-N 3.46Å; E906-L909 PolarHBondContact O-N 3.15Å; L909-A911 PolarHBondContact O-N 2.87Å; L909-V912 WeakPolarHBondContact O-CG2 3.29Å; L909-V912 PolarHBondContact O-N 3.06Å; L909-G913 PolarHBondContact O-N 3.15Å; L909-E914 CarbonylContact C-O 3.57Å; L909-E914 WeakPolarHBondContact CB-O 3.33Å; L909-E914 HydrophobicContact CD2-CB 4.38Å; L909-E914 PolarHBondContact O-N 2.97Å; L909-E914 VanDerWaalsContact O-O 3.11Å; L909-C918 HydrophobicContact CD2-CB 3.84Å; L909-L920 HydrophobicContact CD1-CD2 3.62Å
910	K	92.1	Very high	85.3	Confident	53 Å²	53	36.2 Å²	36.2	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-29.8	173.6	-73.8	166.9	179.2	140.3	0	112.8	K817 V851 D852 E906 Y908	K817-K910 WeakPolarHBondContact CE-O 3.41Å; K817-K910 PolarHBondContact NZ-O 2.98Å; V851-K910 WeakPolarHBondContact O-CD 3.42Å; D852-K910 IonicContact OD1-NZ 3.51Å; D852-K910 PolarHBondContact OD1-NZ 3.12Å; E906-K910 VanDerWaalsContact O-CB 3.23Å; E906-K910 WeakPolarHBondContact O-CB 3.49Å; E906-K910 WeakPolarHBondContact O-CD 3.34Å; E906-K910 WeakPolarHBondContact O-CG 3.35Å; E906-K910 PolarHBondContact O-N 3.5Å; E906-K910 WeakPolarHBondContact OE2-CE 3.18Å; E906-K910 IonicContact OE2-NZ 2.7Å; E906-K910 PolarHBondContact OE2-NZ 3.37Å; Y908-K910 VanDerWaalsContact C-N 3.34Å; Y908-K910 PolarHBondContact O-N 2.78Å
911	A	91.4	Very high	85.1	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-55.5	174.7	0	0	0	0	0	111.7	K817 M848 C849 S907 Y908 L909 G913 C968	K817-A911 PolarHBondContact NZ-O 2.63Å; M848-A911 HydrophobicContact CB-CB 4.45Å; M848-A911 HydrophobicContact CG-CB 3.97Å; M848-A911 HydrophobicContact SD-CB 3.91Å; C849-A911 WeakPolarHBondContact O-CA 3.42Å; S907-A911 WeakPolarHBondContact O-CB 3.29Å; S907-A911 PolarHBondContact O-N 3.33Å; Y908-A911 WeakPolarHBondContact O-CA 3.21Å; Y908-A911 VanDerWaalsContact O-CB 3.28Å; Y908-A911 WeakPolarHBondContact O-CB 3.37Å; Y908-A911 PolarHBondContact O-N 3.21Å; L909-A911 PolarHBondContact O-N 2.87Å; A911-G913 VanDerWaalsContact C-N 3.29Å; A911-G913 PolarHBondContact O-N 3.31Å; A911-C968 HydrophobicContact CB-CB 4.06Å
912	V	87.3	Confident	85	Confident	53 Å²	53	41 Å²	41	32%	0.321	21%	0.209	S	C	.	.	H	α-helix	trans	-69.2	-24.2	179.7	-61.6	0	0	0	0	113.3	M848 Y908 L909 E914	M848-V912 HydrophobicContact CE-CG1 4.33Å; M848-V912 HydrophobicContact SD-CG1 3.67Å; Y908-V912 HydrophobicContact CD2-CG1 4.45Å; Y908-V912 HydrophobicContact CE1-CG1 4.36Å; Y908-V912 HydrophobicContact CE1-CG2 4.44Å; Y908-V912 HydrophobicContact CE2-CG1 3.8Å; Y908-V912 PolarHBondContact O-N 2.83Å; L909-V912 WeakPolarHBondContact O-CG2 3.29Å; L909-V912 PolarHBondContact O-N 3.06Å; V912-E914 HydrophobicContact CG2-CB 4.04Å; V912-E914 HydrophobicContact CG2-CG 4.09Å
913	G	81.1	Confident	84.9	Confident	16 Å²	16	39.2 Å²	39.2	17%	0.165	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	13.2	-178.8	0	0	0	0	0	114.2	N815 L909 A911	N815-G913 PolarHBondContact ND2-O 3.4Å; L909-G913 PolarHBondContact O-N 3.15Å; A911-G913 VanDerWaalsContact C-N 3.29Å; A911-G913 PolarHBondContact O-N 3.31Å
914	E	68.1	Low	84.9	Confident	119 Å²	119	39.9 Å²	39.9	56%	0.556	21%	0.206	S	C	*	.			trans	-85.7	135.3	165.3	-60.5	-165	165.1	0	0	108.4	L909 V912	L909-E914 CarbonylContact C-O 3.57Å; L909-E914 WeakPolarHBondContact CB-O 3.33Å; L909-E914 HydrophobicContact CD2-CB 4.38Å; L909-E914 PolarHBondContact O-N 2.97Å; L909-E914 VanDerWaalsContact O-O 3.11Å; V912-E914 HydrophobicContact CG2-CB 4.04Å; V912-E914 HydrophobicContact CG2-CG 4.09Å
915	G	64.9	Low	84.9	Confident	32 Å²	32	40 Å²	40	33%	0.33	21%	0.207	S	C	.	.			trans	-76.5	-166.5	175.2	0	0	0	0	0	112.2	H917	G915-H917 PolarHBondContact O-N 3.16Å
916	I	61.5	Low	84.8	Confident	105 Å²	105	43 Å²	43	54%	0.538	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	32.3	175.2	-25.9	176.2	0	0	0	112.6	L920	I916-L920 HydrophobicContact CG2-CD1 4.02Å
917	H	61.8	Low	84.6	Confident	147 Å²	147	44 Å²	44	68%	0.681	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.8	176.7	-53.9	-49.2	0	0	0	112.4	G915	G915-H917 PolarHBondContact O-N 3.16Å
918	C	68.1	Low	83.7	Confident	27 Å²	27	45 Å²	45	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-75.5	146.5	169	-167.9	0	0	0	0	110.1	L909 L920	L909-C918 HydrophobicContact CD2-CB 3.84Å; C918-L920 PolarHBondContact O-N 3.42Å; C918-L920 VanDerWaalsContact O-N 3.09Å
919	E	79.3	Confident	82.4	Confident	79 Å²	79	53 Å²	53	37%	0.369	27%	0.272	S	S	.	.			trans	-76	97.8	178.9	-156.9	-155.7	141.4	0	0	109.4	S921 R922	E919-S921 VanDerWaalsContact CD-OG 3.23Å; E919-S921 VanDerWaalsContact CG-OG 3.28Å; E919-S921 WeakPolarHBondContact CG-OG 3.35Å; E919-S921 PolarHBondContact O-N 3Å; E919-S921 VanDerWaalsContact O-N 3.09Å; E919-S921 PolarHBondContact OE1-OG 3.46Å; E919-R922 HydrophobicContact CB-CG 4.33Å; E919-R922 WeakPolarHBondContact O-CB 3.3Å; E919-R922 PolarHBondContact O-N 2.9Å; E919-R922 WeakPolarHBondContact OE2-CD 3.45Å
920	L	88.7	Confident	80.7	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.8	-169	-71.2	175.8	0	0	0	114.7	N875 K905 L909 I916 C918 R922 L923	N875-L920 HydrophobicContact CB-CB 4.09Å; N875-L920 HydrophobicContact CB-CD1 3.87Å; N875-L920 CarbonylContact O-C 3.6Å; N875-L920 WeakPolarHBondContact O-CB 3.23Å; K905-L920 HydrophobicContact CB-CD2 4.19Å; K905-L920 HydrophobicContact CD-CB 4.47Å; K905-L920 HydrophobicContact CD-CD2 4.33Å; K905-L920 PolarHBondContact NZ-O 2.92Å; L909-L920 HydrophobicContact CD1-CD2 3.62Å; I916-L920 HydrophobicContact CG2-CD1 4.02Å; C918-L920 PolarHBondContact O-N 3.42Å; C918-L920 VanDerWaalsContact O-N 3.09Å; L920-R922 VanDerWaalsContact C-N 3.27Å; L920-R922 PolarHBondContact O-N 3.04Å; L920-L923 HydrophobicContact CD2-CD1 4.21Å; L920-L923 PolarHBondContact O-N 3.4Å
921	S	90.8	Very high	78.7	Confident	28 Å²	28	58.5 Å²	58.5	20%	0.196	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.6	-31.4	170.2	51.7	0	0	0	0	114.1	S877 E919 L923	S877-S921 WeakPolarHBondContact CA-O 3.16Å; E919-S921 VanDerWaalsContact CD-OG 3.23Å; E919-S921 VanDerWaalsContact CG-OG 3.28Å; E919-S921 WeakPolarHBondContact CG-OG 3.35Å; E919-S921 PolarHBondContact O-N 3Å; E919-S921 VanDerWaalsContact O-N 3.09Å; E919-S921 PolarHBondContact OE1-OG 3.46Å; S921-L923 VanDerWaalsContact C-N 3.31Å
922	R	91.3	Very high	76.9	Confident	95 Å²	95	66.5 Å²	66.5	36%	0.358	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-77.6	-17.1	-177.7	-68.2	174.6	56.1	-134.5	-4.2	113.3	E919 L920 I944 D945	E919-R922 HydrophobicContact CB-CG 4.33Å; E919-R922 WeakPolarHBondContact O-CB 3.3Å; E919-R922 PolarHBondContact O-N 2.9Å; E919-R922 WeakPolarHBondContact OE2-CD 3.45Å; L920-R922 VanDerWaalsContact C-N 3.27Å; L920-R922 PolarHBondContact O-N 3.04Å; R922-I944 WeakPolarHBondContact O-CA 3.43Å; R922-D945 IonicContact CZ-OD1 2.68Å; R922-D945 IonicContact CZ-OD2 2.57Å; R922-D945 IonicContact NE-OD1 3.53Å; R922-D945 PolarHBondContact NE-OD1 3.12Å; R922-D945 IonicContact NE-OD2 2.69Å; R922-D945 IonicContact NH2-OD1 2.77Å; R922-D945 PolarHBondContact NH2-OD1 3.21Å; R922-D945 IonicContact NH2-OD2 3.12Å; R922-D945 PolarHBondContact NH2-OD2 3.38Å; R922-D945 PolarHBondContact O-N 2.99Å
923	L	93.7	Very high	75.4	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.8	173	-54	-178.8	0	0	0	108.2	K905 Y908 L920 S921 F925 L942 I944	K905-L923 HydrophobicContact CB-CD1 4.37Å; K905-L923 HydrophobicContact CG-CB 4.45Å; K905-L923 HydrophobicContact CG-CD1 4.23Å; K905-L923 PolarHBondContact NZ-O 3.49Å; Y908-L923 HydrophobicContact CD1-CD1 3.94Å; Y908-L923 HydrophobicContact CD1-CD2 4.07Å; Y908-L923 HydrophobicContact CE1-CD1 4.46Å; Y908-L923 HydrophobicContact CE1-CD2 3.84Å; L920-L923 HydrophobicContact CD2-CD1 4.21Å; L920-L923 PolarHBondContact O-N 3.4Å; S921-L923 VanDerWaalsContact C-N 3.31Å; L923-F925 HydrophobicContact CB-CE2 4.42Å; L923-L942 HydrophobicContact CB-CD1 3.97Å; L923-L942 HydrophobicContact CD2-CD1 4.31Å; L923-I944 HydrophobicContact CD2-CD1 3.86Å; L923-I944 HydrophobicContact CD2-CG1 3.89Å
924	D	95.1	Very high	74.3	Confident	14 Å²	14	73.5 Å²	73.5	8%	0.075	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	98.8	-177.9	177.4	58.5	0	0	0	109.9	S877 N879 Q926 R943	S877-D924 WeakPolarHBondContact CB-OD1 3.42Å; S877-D924 PolarHBondContact OG-OD1 2.82Å; N879-D924 WeakPolarHBondContact CB-OD1 3.16Å; N879-D924 VanDerWaalsContact ND2-CG 3.35Å; N879-D924 PolarHBondContact ND2-OD1 3.34Å; N879-D924 PolarHBondContact ND2-OD2 2.77Å; N879-D924 VanDerWaalsContact ND2-OD2 3.13Å; D924-Q926 PolarHBondContact OD2-NE2 2.98Å; D924-R943 HydrophobicContact CB-CB 4.11Å; D924-R943 PolarHBondContact N-O 3.22Å; D924-R943 PolarHBondContact O-N 3.35Å
925	F	95.8	Very high	74.5	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.009	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.5	179.8	-81	-82.6	0	0	0	112.1	E880 Y901 L904 K905 L923 L927 T940 Q941 L942 F954	E880-F925 WeakPolarHBondContact OE1-CB 3.42Å; E880-F925 PolarHBondContact OE1-N 2.78Å; Y901-F925 HydrophobicContact CD1-CB 3.76Å; Y901-F925 HydrophobicContact CE1-CB 3.66Å; Y901-F925 WeakPolarHBondContact CE1-O 3.43Å; L904-F925 HydrophobicContact CB-CD1 3.94Å; L904-F925 HydrophobicContact CB-CD2 4.04Å; L904-F925 HydrophobicContact CB-CE1 3.77Å; L904-F925 HydrophobicContact CB-CE2 3.88Å; L904-F925 HydrophobicContact CB-CG 4.06Å; L904-F925 HydrophobicContact CB-CZ 3.74Å; L904-F925 HydrophobicContact CD1-CB 4.33Å; L904-F925 HydrophobicContact CD1-CD1 4Å; L904-F925 HydrophobicContact CD1-CG 4.15Å; L904-F925 HydrophobicContact CD2-CD1 4.16Å; L904-F925 HydrophobicContact CD2-CE1 3.97Å; L904-F925 HydrophobicContact CG-CD1 4.27Å; L904-F925 HydrophobicContact CG-CE1 4.31Å; K905-F925 HydrophobicContact CB-CE2 4.33Å; K905-F925 HydrophobicContact CG-CD2 3.96Å; K905-F925 HydrophobicContact CG-CE2 3.66Å; L923-F925 HydrophobicContact CB-CE2 4.42Å; F925-L927 HydrophobicContact CB-CD2 4.43Å; F925-L927 PolarHBondContact O-N 3.21Å; F925-T940 HydrophobicContact CD1-CG2 3.94Å; F925-Q941 WeakPolarHBondContact CA-O 3.11Å; F925-L942 HydrophobicContact CD1-CB 4.25Å; F925-L942 HydrophobicContact CD1-CD1 4.34Å; F925-L942 HydrophobicContact CD2-CD1 4.03Å; F925-L942 HydrophobicContact CE1-CB 3.87Å; F925-L942 HydrophobicContact CE1-CD1 4.1Å; F925-L942 HydrophobicContact CE1-CG 4.39Å; F925-L942 HydrophobicContact CE2-CD1 3.76Å; F925-L942 HydrophobicContact CG-CD1 4.32Å; F925-L942 HydrophobicContact CZ-CB 4.28Å; F925-L942 HydrophobicContact CZ-CD1 3.81Å; F925-L942 HydrophobicContact CZ-CD2 4.17Å; F925-L942 HydrophobicContact CZ-CG 4.31Å; F925-F954 AromaticContact CE1-CD1 3.97Å; F925-F954 HydrophobicContact CE1-CD1 3.97Å; F925-F954 HydrophobicContact CE1-CD2 4.16Å; F925-F954 AromaticContact CE1-CE1 3.55Å; F925-F954 HydrophobicContact CE1-CE1 3.55Å; F925-F954 AromaticContact CE1-CE2 3.78Å; F925-F954 HydrophobicContact CE1-CE2 3.78Å; F925-F954 HydrophobicContact CE1-CG 4.26Å; F925-F954 AromaticContact CE1-CZ 3.47Å; F925-F954 HydrophobicContact CE1-CZ 3.47Å; F925-F954 VanDerWaalsContact CE1-CZ 3.47Å; F925-F954 AromaticContact CZ-CE1 3.78Å; F925-F954 HydrophobicContact CZ-CE1 3.78Å; F925-F954 AromaticContact CZ-CZ 3.79Å; F925-F954 HydrophobicContact CZ-CZ 3.79Å
926	Q	92.6	Very high	75.5	Confident	65 Å²	65	77.5 Å²	77.5	30%	0.304	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	96.6	174.2	-62.3	-66	-37.9	0	0	107.7	D924 T940 Q941	D924-Q926 PolarHBondContact OD2-NE2 2.98Å; Q926-T940 WeakPolarHBondContact O-CA 3.23Å; Q926-Q941 HydrophobicContact CB-CB 4.4Å; Q926-Q941 PolarHBondContact N-O 3.22Å; Q926-Q941 PolarHBondContact O-N 2.8Å
927	L	90.4	Very high	76.7	Confident	48 Å²	48	73.3 Å²	73.3	25%	0.251	38%	0.375	S	S	.	.			trans	-72	138	-177.2	-57.7	-175.6	0	0	0	111.3	L897 Y901 L904 F925 T940	L897-L927 HydrophobicContact CD1-CD1 3.45Å; L897-L927 VanDerWaalsContact CD1-CD1 3.45Å; Y901-L927 HydrophobicContact CD1-CD1 4.5Å; Y901-L927 HydrophobicContact CD1-CD2 4.24Å; Y901-L927 HydrophobicContact CD1-CG 4.48Å; Y901-L927 HydrophobicContact CE1-CD1 3.81Å; Y901-L927 HydrophobicContact CE1-CD2 3.78Å; Y901-L927 HydrophobicContact CE1-CG 3.62Å; Y901-L927 HydrophobicContact CE2-CD1 4.05Å; L904-L927 HydrophobicContact CD1-CD2 3.37Å; F925-L927 HydrophobicContact CB-CD2 4.43Å; F925-L927 PolarHBondContact O-N 3.21Å; L927-T940 HydrophobicContact CD2-CG2 3.76Å
928	G	77.1	Confident	78.1	Confident	21 Å²	21	70.7 Å²	70.7	22%	0.216	37%	0.37	C	S	.	.			trans	-78.3	-171.1	172.7	0	0	0	0	0	114.1	F930 Q937 D939 T940	G928-F930 PolarHBondContact O-N 2.84Å; G928-Q937 VanDerWaalsContact CA-NE2 3.3Å; G928-Q937 PolarHBondContact O-NE2 3.02Å; G928-Q937 VanDerWaalsContact O-NE2 3.12Å; G928-D939 VanDerWaalsContact CA-CG 3.45Å; G928-D939 WeakPolarHBondContact CA-OD1 3.1Å; G928-D939 WeakPolarHBondContact CA-OD2 3.05Å; G928-T940 PolarHBondContact N-OG1 2.94Å
929	K	66.3	Low	79.1	Confident	188 Å²	188	73.3 Å²	73.3	82%	0.817	38%	0.382	S	S	*	.			trans	-69.8	122.6	-175.1	-72.5	-173.8	179	178.2	0	111.4	A931 Q937 D939	K929-A931 PolarHBondContact O-N 3.45Å; K929-A931 VanDerWaalsContact O-N 3.08Å; K929-Q937 PolarHBondContact O-NE2 3.26Å; K929-D939 PolarHBondContact N-OD2 3.07Å
930	F	57.5	Low	79.8	Confident	126 Å²	126	69.9 Å²	69.9	55%	0.553	37%	0.367	S	S	*	.			trans	-58.2	111.6	-177.3	-159.2	-65.3	0	0	0	111.2	R900 G928 E932	R900-F930 VanDerWaalsContact NH1-CE2 3.34Å; G928-F930 PolarHBondContact O-N 2.84Å; F930-E932 HydrophobicContact CD1-CG 4.42Å
931	A	50.1	Low	80	Confident	47 Å²	47	74.1 Å²	74.1	39%	0.388	39%	0.386	S	S	.	.			trans	-85.9	118.4	173.4	0	0	0	0	0	110.1	K929 S933	K929-A931 PolarHBondContact O-N 3.45Å; K929-A931 VanDerWaalsContact O-N 3.08Å; A931-S933 PolarHBondContact O-N 3.06Å
932	E	53.5	Low	80.2	Confident	171 Å²	171	72.9 Å²	72.9	80%	0.799	38%	0.378	S	S	*	.			trans	-78.1	120.5	173.3	-66.6	-176.1	161.5	0	0	110.3	F930	F930-E932 HydrophobicContact CD1-CG 4.42Å
933	S	56.4	Low	80.3	Confident	91 Å²	91	72.6 Å²	72.6	64%	0.636	38%	0.376	S	S	*	.	S	Bend	trans	71.5	139.6	177.4	80.8	0	0	0	0	118.2	A931 H935	A931-S933 PolarHBondContact O-N 3.06Å; S933-H935 PolarHBondContact O-CD2 2.85Å; S933-H935 PolarHBondContact O-N 3.11Å
934	T	57.3	Low	80.2	Confident	126 Å²	126	74.1 Å²	74.1	77%	0.773	38%	0.384	S	S	*	.	S	Bend	trans	48.7	-24.6	163.8	66	0	0	0	0	121.8
935	H	73.4	Confident	79.8	Confident	145 Å²	145	78.5 Å²	78.5	67%	0.671	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-78.3	147.6	-179	-68.8	-79.5	0	0	0	112.2	S933	S933-H935 PolarHBondContact O-CD2 2.85Å; S933-H935 PolarHBondContact O-N 3.11Å
936	I	85.2	Confident	79.1	Confident	90 Å²	90	81.4 Å²	81.4	46%	0.462	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-80.8	124.2	170.2	-58.7	175.5	0	0	0	107.7	T938 E955 E956	I936-T938 HydrophobicContact CG2-CG2 3.99Å; I936-E955 HydrophobicContact CG2-CB 3.62Å; I936-E955 HydrophobicContact CG2-CG 3.75Å; I936-E956 WeakPolarHBondContact CA-O 3.46Å
937	Q	87.2	Confident	78.9	Confident	16 Å²	16	86.1 Å²	86.1	8%	0.075	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-90.7	131.1	176.9	-177.4	179.5	-8.1	0	0	109.7	G928 K929 D939 E955 E956	G928-Q937 VanDerWaalsContact CA-NE2 3.3Å; G928-Q937 PolarHBondContact O-NE2 3.02Å; G928-Q937 VanDerWaalsContact O-NE2 3.12Å; K929-Q937 PolarHBondContact O-NE2 3.26Å; Q937-D939 WeakPolarHBondContact CG-OD1 3.5Å; Q937-D939 PolarHBondContact NE2-OD1 2.65Å; Q937-E955 WeakPolarHBondContact O-CA 3.42Å; Q937-E956 HydrophobicContact CB-CB 4.3Å; Q937-E956 PolarHBondContact N-O 2.84Å; Q937-E956 PolarHBondContact O-N 3.33Å
938	T	89.5	Confident	78.8	Confident	92 Å²	92	86.2 Å²	86.2	56%	0.564	46%	0.456	S	S	*	.			trans	-133.4	12.7	-171.9	70.1	0	0	0	0	114.8	I936 F954 E955	I936-T938 HydrophobicContact CG2-CG2 3.99Å; T938-F954 WeakPolarHBondContact CA-O 3.48Å; T938-E955 HydrophobicContact CG2-CG 3.91Å
939	D	90.5	Very high	79.2	Confident	83 Å²	83	85.8 Å²	85.8	44%	0.444	45%	0.449	S	S	.	.			trans	-100.5	2.9	-177.6	62.9	-23.2	0	0	0	113.4	G928 K929 Q937	G928-D939 VanDerWaalsContact CA-CG 3.45Å; G928-D939 WeakPolarHBondContact CA-OD1 3.1Å; G928-D939 WeakPolarHBondContact CA-OD2 3.05Å; K929-D939 PolarHBondContact N-OD2 3.07Å; Q937-D939 WeakPolarHBondContact CG-OD1 3.5Å; Q937-D939 PolarHBondContact NE2-OD1 2.65Å
940	T	93.1	Very high	80	Confident	7 Å²	7	82.7 Å²	82.7	4%	0.043	44%	0.441	C	S	.	.			trans	-75.1	128.2	175.9	-72.5	0	0	0	0	111.8	L904 F925 Q926 L927 G928 E956	L904-T940 HydrophobicContact CD1-CG2 3.91Å; L904-T940 HydrophobicContact CD2-CG2 3.96Å; F925-T940 HydrophobicContact CD1-CG2 3.94Å; Q926-T940 WeakPolarHBondContact O-CA 3.23Å; L927-T940 HydrophobicContact CD2-CG2 3.76Å; G928-T940 PolarHBondContact N-OG1 2.94Å; T940-E956 WeakPolarHBondContact CB-OE2 3.45Å; T940-E956 PolarHBondContact OG1-OE2 3.07Å
941	Q	93.3	Very high	81.3	Confident	99 Å²	99	79 Å²	79	46%	0.463	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.6	-179	-62.9	-177.2	-15.3	0	0	111.9	F925 Q926	F925-Q941 WeakPolarHBondContact CA-O 3.11Å; Q926-Q941 HydrophobicContact CB-CB 4.4Å; Q926-Q941 PolarHBondContact N-O 3.22Å; Q926-Q941 PolarHBondContact O-N 2.8Å
942	L	94.5	Very high	83.2	Confident	3 Å²	3	77.4 Å²	77.4	2%	0.016	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.8	171	174.3	59.6	0	0	0	110.7	Y908 L923 F925 I944 L949 F954	Y908-L942 HydrophobicContact CD1-CD2 3.97Å; Y908-L942 HydrophobicContact CD2-CD2 3.55Å; Y908-L942 HydrophobicContact CE1-CD2 4.07Å; Y908-L942 HydrophobicContact CE2-CD2 3.65Å; Y908-L942 HydrophobicContact CG-CD2 3.72Å; L923-L942 HydrophobicContact CB-CD1 3.97Å; L923-L942 HydrophobicContact CD2-CD1 4.31Å; F925-L942 HydrophobicContact CD1-CB 4.25Å; F925-L942 HydrophobicContact CD1-CD1 4.34Å; F925-L942 HydrophobicContact CD2-CD1 4.03Å; F925-L942 HydrophobicContact CE1-CB 3.87Å; F925-L942 HydrophobicContact CE1-CD1 4.1Å; F925-L942 HydrophobicContact CE1-CG 4.39Å; F925-L942 HydrophobicContact CE2-CD1 3.76Å; F925-L942 HydrophobicContact CG-CD1 4.32Å; F925-L942 HydrophobicContact CZ-CB 4.28Å; F925-L942 HydrophobicContact CZ-CD1 3.81Å; F925-L942 HydrophobicContact CZ-CD2 4.17Å; F925-L942 HydrophobicContact CZ-CG 4.31Å; L942-I944 HydrophobicContact CD1-CG1 4.3Å; L942-I944 HydrophobicContact CD2-CD1 4.14Å; L942-I944 HydrophobicContact CD2-CG1 4.2Å; L942-I944 HydrophobicContact CG-CG1 4.05Å; L942-L949 HydrophobicContact CD2-CD2 4.31Å; L942-L949 PolarHBondContact O-N 3.34Å; L942-F954 HydrophobicContact CB-CE2 3.69Å; L942-F954 HydrophobicContact CB-CZ 4.01Å; L942-F954 HydrophobicContact CD2-CZ 4.07Å
943	R	93.7	Very high	85	Confident	88 Å²	88	74.2 Å²	74.2	33%	0.332	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.2	162.5	-67.5	177.1	176.5	162.8	2.9	110.8	D924 R947 T948	D924-R943 HydrophobicContact CB-CB 4.11Å; D924-R943 PolarHBondContact N-O 3.22Å; D924-R943 PolarHBondContact O-N 3.35Å; R943-R947 CarbonylContact C-O 3.59Å; R943-R947 WeakPolarHBondContact CA-O 3.2Å; R943-T948 PolarHBondContact NE-OG1 2.65Å
944	I	91.1	Very high	86.8	Confident	35 Å²	35	70 Å²	70	18%	0.179	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.6	172.5	-50.7	-176.2	0	0	0	107.9	Y908 R922 L923 L942 G946 R947 L949	Y908-I944 HydrophobicContact CE1-CD1 4.08Å; Y908-I944 WeakPolarHBondContact OH-CD1 3.42Å; R922-I944 WeakPolarHBondContact O-CA 3.43Å; L923-I944 HydrophobicContact CD2-CD1 3.86Å; L923-I944 HydrophobicContact CD2-CG1 3.89Å; L942-I944 HydrophobicContact CD1-CG1 4.3Å; L942-I944 HydrophobicContact CD2-CD1 4.14Å; L942-I944 HydrophobicContact CD2-CG1 4.2Å; L942-I944 HydrophobicContact CG-CG1 4.05Å; I944-G946 PolarHBondContact O-N 3.28Å; I944-G946 VanDerWaalsContact O-N 3.1Å; I944-R947 PolarHBondContact N-O 3.1Å; I944-R947 PolarHBondContact O-N 3.31Å; I944-L949 HydrophobicContact CD1-CD2 4.19Å
945	D	87.5	Confident	88.5	Confident	105 Å²	105	65.3 Å²	65.3	56%	0.561	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	35.3	-175.1	-51.1	-38.4	0	0	0	113.3	R922	R922-D945 IonicContact CZ-OD1 2.68Å; R922-D945 IonicContact CZ-OD2 2.57Å; R922-D945 IonicContact NE-OD1 3.53Å; R922-D945 PolarHBondContact NE-OD1 3.12Å; R922-D945 IonicContact NE-OD2 2.69Å; R922-D945 IonicContact NH2-OD1 2.77Å; R922-D945 PolarHBondContact NH2-OD1 3.21Å; R922-D945 IonicContact NH2-OD2 3.12Å; R922-D945 PolarHBondContact NH2-OD2 3.38Å; R922-D945 PolarHBondContact O-N 2.99Å
946	G	81.8	Confident	89.5	Confident	64 Å²	64	58.8 Å²	58.8	66%	0.66	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-4.1	-178	0	0	0	0	0	116.3	I944	I944-G946 PolarHBondContact O-N 3.28Å; I944-G946 VanDerWaalsContact O-N 3.1Å
947	R	86.7	Confident	89.7	Confident	164 Å²	164	55.9 Å²	55.9	62%	0.619	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.6	177	-64.9	177.8	169.6	-121.5	-9.6	111	E589 R943 I944	E589-R947 IonicContact OE1-CZ 3.92Å; E589-R947 IonicContact OE1-NH1 2.74Å; E589-R947 PolarHBondContact OE1-NH1 3.42Å; E589-R947 IonicContact OE1-NH2 2.74Å; E589-R947 PolarHBondContact OE1-NH2 3.06Å; R943-R947 CarbonylContact C-O 3.59Å; R943-R947 WeakPolarHBondContact CA-O 3.2Å; I944-R947 PolarHBondContact N-O 3.1Å; I944-R947 PolarHBondContact O-N 3.31Å
948	T	88.5	Confident	89.8	Confident	49 Å²	49	58.4 Å²	58.4	30%	0.301	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149.4	172.2	-46.6	0	0	0	0	110.7	R943 D950	R943-T948 PolarHBondContact NE-OG1 2.65Å; T948-D950 WeakPolarHBondContact CG2-OD1 3.45Å
949	L	87.1	Confident	89.8	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.063	30%	0.296	C	S	.	.			trans	-114.1	82.5	-179.3	-169	66.1	0	0	0	111	P566 Y908 L942 I944 D951 V952	P566-L949 HydrophobicContact CB-CD1 4.02Å; P566-L949 HydrophobicContact CG-CD1 3.66Å; Y908-L949 HydrophobicContact CE2-CD2 3.84Å; L942-L949 HydrophobicContact CD2-CD2 4.31Å; L942-L949 PolarHBondContact O-N 3.34Å; I944-L949 HydrophobicContact CD1-CD2 4.19Å; L949-D951 VanDerWaalsContact C-N 3.25Å; L949-D951 WeakPolarHBondContact CD1-OD1 3.42Å; L949-D951 PolarHBondContact O-N 3.18Å; L949-V952 HydrophobicContact CD2-CB 4.06Å; L949-V952 HydrophobicContact CD2-CG2 3.59Å; L949-V952 HydrophobicContact CG-CB 4.24Å; L949-V952 HydrophobicContact CG-CG2 3.88Å; L949-V952 PolarHBondContact O-N 2.78Å
950	D	82.9	Confident	89.8	Confident	124 Å²	124	54.1 Å²	54.1	66%	0.663	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.9	-166.8	-47.5	-57.6	0	0	0	115	T948	T948-D950 WeakPolarHBondContact CG2-OD1 3.45Å
951	D	83.7	Confident	89.5	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.262	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.4	177.1	74.3	-76.4	0	0	0	114.3	H567 L949 S970	H567-D951 VanDerWaalsContact CE1-CG 3.42Å; H567-D951 IonicContact CE1-OD1 2.71Å; H567-D951 PolarHBondContact CE1-OD1 3.28Å; H567-D951 VanDerWaalsContact CE1-OD1 3.32Å; H567-D951 IonicContact CE1-OD2 3.51Å; H567-D951 PolarHBondContact CE1-OD2 2.91Å; H567-D951 VanDerWaalsContact CE1-OD2 3.29Å; H567-D951 IonicContact CG-OD2 3.8Å; H567-D951 IonicContact ND1-OD1 3.58Å; H567-D951 PolarHBondContact ND1-OD1 3.35Å; H567-D951 IonicContact ND1-OD2 3.54Å; H567-D951 PolarHBondContact ND1-OD2 3.29Å; L949-D951 VanDerWaalsContact C-N 3.25Å; L949-D951 WeakPolarHBondContact CD1-OD1 3.42Å; L949-D951 PolarHBondContact O-N 3.18Å; D951-S970 WeakPolarHBondContact O-CA 3.43Å; D951-S970 WeakPolarHBondContact O-CB 3.5Å
952	V	89.7	Confident	89.3	Confident	13 Å²	13	58.4 Å²	58.4	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.4	-175	-179.5	0	0	0	0	111.5	M848 Y908 L949 F954 C968	M848-V952 HydrophobicContact CE-CG2 4.39Å; Y908-V952 HydrophobicContact CD2-CG1 4.27Å; Y908-V952 HydrophobicContact CE2-CG1 4.5Å; L949-V952 HydrophobicContact CD2-CB 4.06Å; L949-V952 HydrophobicContact CD2-CG2 3.59Å; L949-V952 HydrophobicContact CG-CB 4.24Å; L949-V952 HydrophobicContact CG-CG2 3.88Å; L949-V952 PolarHBondContact O-N 2.78Å; V952-F954 HydrophobicContact CG1-CE2 3.75Å; V952-F954 HydrophobicContact CG1-CZ 3.7Å; V952-C968 WeakPolarHBondContact CG1-SG 3.37Å
953	Y	92.5	Very high	89.3	Confident	103 Å²	103	58.2 Å²	58.2	40%	0.404	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.5	-170.6	-62.7	-101.5	0	0	0	110.2	C968 Y969 V971	Y953-C968 WeakPolarHBondContact O-CA 3.49Å; Y953-Y969 VanDerWaalsContact CB-CZ 3.47Å; Y953-Y969 HydrophobicContact CD2-CE2 4.34Å; Y953-Y969 HydrophobicContact CG-CE2 4Å; Y953-Y969 PolarHBondContact N-O 3.16Å; Y953-Y969 PolarHBondContact O-N 3.17Å; Y953-V971 HydrophobicContact CD2-CG2 3.98Å; Y953-V971 HydrophobicContact CE2-CB 4.45Å; Y953-V971 HydrophobicContact CE2-CG2 3.67Å
954	F	94.1	Very high	89.2	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.013	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.1	-179.3	-63.8	-85.1	0	0	0	111.1	L904 Y908 F925 T938 L942 V952 V967 C968	L904-F954 HydrophobicContact CD2-CB 4.05Å; L904-F954 HydrophobicContact CD2-CD1 3.71Å; L904-F954 HydrophobicContact CD2-CG 4.02Å; Y908-F954 HydrophobicContact CD2-CZ 4.19Å; F925-F954 AromaticContact CE1-CD1 3.97Å; F925-F954 HydrophobicContact CE1-CD1 3.97Å; F925-F954 HydrophobicContact CE1-CD2 4.16Å; F925-F954 AromaticContact CE1-CE1 3.55Å; F925-F954 HydrophobicContact CE1-CE1 3.55Å; F925-F954 AromaticContact CE1-CE2 3.78Å; F925-F954 HydrophobicContact CE1-CE2 3.78Å; F925-F954 HydrophobicContact CE1-CG 4.26Å; F925-F954 AromaticContact CE1-CZ 3.47Å; F925-F954 HydrophobicContact CE1-CZ 3.47Å; F925-F954 VanDerWaalsContact CE1-CZ 3.47Å; F925-F954 AromaticContact CZ-CE1 3.78Å; F925-F954 HydrophobicContact CZ-CE1 3.78Å; F925-F954 AromaticContact CZ-CZ 3.79Å; F925-F954 HydrophobicContact CZ-CZ 3.79Å; T938-F954 WeakPolarHBondContact CA-O 3.48Å; L942-F954 HydrophobicContact CB-CE2 3.69Å; L942-F954 HydrophobicContact CB-CZ 4.01Å; L942-F954 HydrophobicContact CD2-CZ 4.07Å; V952-F954 HydrophobicContact CG1-CE2 3.75Å; V952-F954 HydrophobicContact CG1-CZ 3.7Å; F954-V967 CarbonylContact C-O 3.57Å; F954-V967 VanDerWaalsContact CA-O 3.32Å; F954-V967 WeakPolarHBondContact CA-O 3.26Å; F954-C968 HydrophobicContact CD1-CB 3.9Å; F954-C968 HydrophobicContact CE1-CB 3.59Å; F954-C968 WeakPolarHBondContact CE1-SG 3.49Å; F954-C968 HydrophobicContact CZ-CB 4.44Å
955	E	93.1	Very high	89.4	Confident	28 Å²	28	52.8 Å²	52.8	13%	0.131	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	111.3	169.8	-80.2	171.2	-136.2	0	0	108.4	R744 I936 Q937 T938 C966 V967 Y969	R744-E955 IonicContact CZ-OE1 2.72Å; R744-E955 IonicContact CZ-OE2 3.33Å; R744-E955 IonicContact NE-OE1 3.81Å; R744-E955 IonicContact NE-OE2 3.16Å; R744-E955 PolarHBondContact NE-OE2 3.48Å; R744-E955 IonicContact NH2-OE1 3.91Å; R744-E955 PolarHBondContact NH2-OE1 2.72Å; R744-E955 IonicContact NH2-OE2 2.91Å; R744-E955 PolarHBondContact NH2-OE2 2.86Å; I936-E955 HydrophobicContact CG2-CB 3.62Å; I936-E955 HydrophobicContact CG2-CG 3.75Å; Q937-E955 WeakPolarHBondContact O-CA 3.42Å; T938-E955 HydrophobicContact CG2-CG 3.91Å; E955-C966 CarbonylContact O-C 3.57Å; E955-C966 WeakPolarHBondContact O-CA 3.1Å; E955-V967 HydrophobicContact CB-CB 4.24Å; E955-V967 PolarHBondContact N-O 3.4Å; E955-V967 PolarHBondContact O-N 3.05Å; E955-Y969 HydrophobicContact CG-CE1 4.1Å; E955-Y969 WeakPolarHBondContact OE1-CE1 3.41Å
956	E	93.1	Very high	89.8	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.9	175.8	-57.3	-177.3	70	0	0	110.8	R900 L904 I936 Q937 T940	R900-E956 IonicContact CZ-OE1 2.88Å; R900-E956 IonicContact CZ-OE2 3.57Å; R900-E956 IonicContact NE-OE1 3.09Å; R900-E956 PolarHBondContact NE-OE1 3.41Å; R900-E956 IonicContact NH2-OE1 2.75Å; R900-E956 PolarHBondContact NH2-OE1 2.89Å; R900-E956 IonicContact NH2-OE2 3.46Å; R900-E956 PolarHBondContact NH2-OE2 3.22Å; L904-E956 HydrophobicContact CD2-CG 3.85Å; L904-E956 HydrophobicContact CG-CG 4.38Å; I936-E956 WeakPolarHBondContact CA-O 3.46Å; Q937-E956 HydrophobicContact CB-CB 4.3Å; Q937-E956 PolarHBondContact N-O 2.84Å; Q937-E956 PolarHBondContact O-N 3.33Å; T940-E956 WeakPolarHBondContact CB-OE2 3.45Å; T940-E956 PolarHBondContact OG1-OE2 3.07Å
957	S	90.9	Very high	90.5	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.4	-178.3	60.4	0	0	0	0	112	I959 A965	S957-I959 WeakPolarHBondContact OG-CD1 3.32Å; S957-A965 PolarHBondContact N-O 3.3Å; S957-A965 PolarHBondContact O-N 3.06Å; S957-A965 PolarHBondContact OG-O 2.93Å
958	S	89.7	Confident	90.9	Very high	70 Å²	70	37.4 Å²	37.4	49%	0.49	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116	164.2	-62.7	0	0	0	0	108.5	H963	S958-H963 CarbonylContact C-O 3.41Å; S958-H963 WeakPolarHBondContact CA-O 3.22Å
959	I	89.3	Confident	91.1	Very high	50 Å²	50	37 Å²	37	26%	0.256	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-29.1	-177.2	-55.7	-52.3	0	0	0	111.1	T746 F838 I853 S957 H963 A965	T746-I959 HydrophobicContact CG2-CD1 3.9Å; T746-I959 HydrophobicContact CG2-CG1 4.4Å; T746-I959 HydrophobicContact CG2-CG2 3.84Å; F838-I959 HydrophobicContact CD1-CG2 3.84Å; F838-I959 HydrophobicContact CD2-CG2 4.28Å; F838-I959 HydrophobicContact CE1-CG2 3.81Å; F838-I959 HydrophobicContact CE2-CG2 4.25Å; F838-I959 HydrophobicContact CG-CG2 4.08Å; F838-I959 HydrophobicContact CZ-CG2 4.02Å; I853-I959 HydrophobicContact CD1-CB 4.47Å; I853-I959 HydrophobicContact CD1-CG1 4.17Å; S957-I959 WeakPolarHBondContact OG-CD1 3.32Å; I959-H963 HydrophobicContact CB-CB 4.33Å; I959-H963 PolarHBondContact N-O 2.69Å; I959-A965 HydrophobicContact CD1-CB 4.03Å; I959-A965 HydrophobicContact CG1-CB 3.61Å
960	S	89.3	Confident	91.1	Very high	34 Å²	34	36.8 Å²	36.8	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	175.4	166.6	60.3	0	0	0	0	108.1	D962 H963	S960-D962 PolarHBondContact O-N 2.92Å; S960-D962 VanDerWaalsContact O-N 3.08Å; S960-D962 PolarHBondContact OG-OD1 2.82Å; S960-H963 PolarHBondContact O-N 3.43Å; S960-H963 WeakPolarHBondContact OG-CB 3.37Å; S960-H963 PolarHBondContact OG-N 3.17Å; S960-H963 PolarHBondContact OG-ND1 3.1Å
961	D	86.5	Confident	90.5	Very high	146 Å²	146	34.7 Å²	34.7	78%	0.781	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.6	178.8	-58.7	-41.1	0	0	0	112.7	R896	R896-D961 PolarHBondContact NH1-O 3.47Å; R896-D961 VanDerWaalsContact NH1-O 3.1Å; R896-D961 PolarHBondContact NH2-O 3.02Å
962	D	90.9	Very high	89.2	Confident	50 Å²	50	32.8 Å²	32.8	27%	0.267	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	7.9	-177.9	75.8	-32	0	0	0	115.2	R855 L856 S960	R855-D962 CarbonylContact C-O 3.49Å; R855-D962 VanDerWaalsContact CA-O 3.3Å; R855-D962 WeakPolarHBondContact CA-O 3.49Å; R855-D962 WeakPolarHBondContact CG-O 3.4Å; R855-D962 IonicContact CZ-OD2 2.95Å; R855-D962 IonicContact NE-OD2 3.69Å; R855-D962 PolarHBondContact NE-OD2 3.34Å; R855-D962 IonicContact NH2-OD2 2.73Å; R855-D962 PolarHBondContact NH2-OD2 3.18Å; L856-D962 PolarHBondContact N-O 3.4Å; S960-D962 PolarHBondContact O-N 2.92Å; S960-D962 VanDerWaalsContact O-N 3.08Å; S960-D962 PolarHBondContact OG-OD1 2.82Å
963	H	92.9	Very high	86.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.9	176.2	-67.9	77.2	0	0	0	112.6	D837 F838 I853 M854 S958 I959 S960	D837-H963 PolarHBondContact N-NE2 3.42Å; D837-H963 VanDerWaalsContact N-NE2 3.13Å; D837-H963 IonicContact OD2-CE1 3.22Å; F838-H963 HydrophobicContact CD2-CB 4.42Å; F838-H963 AromaticContact CD2-CD2 3.83Å; F838-H963 AromaticContact CD2-CG 3.88Å; F838-H963 AromaticContact CD2-ND1 4Å; F838-H963 AromaticContact CD2-NE2 3.93Å; F838-H963 AromaticContact CE2-ND1 3.98Å; I853-H963 HydrophobicContact CD1-CB 4.24Å; I853-H963 HydrophobicContact CG1-CB 4.48Å; M854-H963 WeakPolarHBondContact O-CA 3.42Å; S958-H963 CarbonylContact C-O 3.41Å; S958-H963 WeakPolarHBondContact CA-O 3.22Å; I959-H963 HydrophobicContact CB-CB 4.33Å; I959-H963 PolarHBondContact N-O 2.69Å; S960-H963 PolarHBondContact O-N 3.43Å; S960-H963 WeakPolarHBondContact OG-CB 3.37Å; S960-H963 PolarHBondContact OG-N 3.17Å; S960-H963 PolarHBondContact OG-ND1 3.1Å
964	V	93	Very high	84.3	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	173.9	172.1	0	0	0	0	108.9	I853 M854 L856 R896 R900	I853-V964 CarbonylContact C-O 3.58Å; I853-V964 VanDerWaalsContact CA-O 3.31Å; I853-V964 WeakPolarHBondContact CA-O 3.27Å; I853-V964 WeakPolarHBondContact CG1-O 3.33Å; M854-V964 PolarHBondContact N-O 3.03Å; M854-V964 PolarHBondContact O-N 3.15Å; L856-V964 HydrophobicContact CD2-CG2 4.09Å; R896-V964 HydrophobicContact CG-CG2 4.3Å; R900-V964 HydrophobicContact CG-CG1 3.96Å
965	A	95.3	Very high	81.4	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.033	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.9	175.4	0	0	0	0	0	111.7	V840 D852 I853 S957 I959	V840-A965 HydrophobicContact CG1-CB 4.41Å; D852-A965 CarbonylContact O-C 3.56Å; D852-A965 WeakPolarHBondContact O-CA 3.39Å; D852-A965 WeakPolarHBondContact O-CB 3.19Å; I853-A965 HydrophobicContact CB-CB 3.98Å; I853-A965 HydrophobicContact CD1-CB 4.31Å; I853-A965 HydrophobicContact CG1-CB 4.12Å; S957-A965 PolarHBondContact N-O 3.3Å; S957-A965 PolarHBondContact O-N 3.06Å; S957-A965 PolarHBondContact OG-O 2.93Å; I959-A965 HydrophobicContact CD1-CB 4.03Å; I959-A965 HydrophobicContact CG1-CB 3.61Å
966	C	95.6	Very high	78.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.9	-179	-60.1	0	0	0	0	110.6	V851 D852 C903 L904 S907 E955	V851-C966 CarbonylContact C-O 3.56Å; V851-C966 VanDerWaalsContact CA-O 3.31Å; V851-C966 WeakPolarHBondContact CA-O 3.44Å; V851-C966 WeakPolarHBondContact CG2-O 3.49Å; D852-C966 PolarHBondContact N-O 2.97Å; D852-C966 PolarHBondContact O-N 3.38Å; C903-C966 HydrophobicContact CB-CB 3.81Å; C903-C966 WeakPolarHBondContact CB-SG 3.4Å; L904-C966 HydrophobicContact CD2-CB 4.3Å; L904-C966 HydrophobicContact CG-CB 4.48Å; S907-C966 WeakPolarHBondContact CB-O 3.44Å; E955-C966 CarbonylContact O-C 3.57Å; E955-C966 WeakPolarHBondContact O-CA 3.1Å
967	V	95.6	Very high	75.1	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.1	171.7	-177.2	0	0	0	0	109	A842 G850 V851 F954 E955 Y969	A842-V967 HydrophobicContact CB-CB 4.39Å; A842-V967 HydrophobicContact CB-CG1 3.54Å; A842-V967 HydrophobicContact CB-CG2 3.89Å; G850-V967 WeakPolarHBondContact O-CA 3.28Å; G850-V967 WeakPolarHBondContact O-CG1 3.47Å; V851-V967 HydrophobicContact CB-CG2 4.24Å; V851-V967 HydrophobicContact CG2-CG2 3.74Å; F954-V967 CarbonylContact C-O 3.57Å; F954-V967 VanDerWaalsContact CA-O 3.32Å; F954-V967 WeakPolarHBondContact CA-O 3.26Å; E955-V967 HydrophobicContact CB-CB 4.24Å; E955-V967 PolarHBondContact N-O 3.4Å; E955-V967 PolarHBondContact O-N 3.05Å; V967-Y969 HydrophobicContact CG1-CD1 4.31Å
968	C	95.3	Very high	74.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.7	171.8	176.1	0	0	0	0	109.1	C849 G850 S907 A911 V952 Y953 F954	C849-C968 CarbonylContact C-O 3.59Å; C849-C968 WeakPolarHBondContact CA-O 3.44Å; G850-C968 PolarHBondContact N-O 3.49Å; G850-C968 PolarHBondContact O-N 3.27Å; S907-C968 WeakPolarHBondContact O-CB 3.35Å; A911-C968 HydrophobicContact CB-CB 4.06Å; V952-C968 WeakPolarHBondContact CG1-SG 3.37Å; Y953-C968 WeakPolarHBondContact O-CA 3.49Å; F954-C968 HydrophobicContact CD1-CB 3.9Å; F954-C968 HydrophobicContact CE1-CB 3.59Å; F954-C968 WeakPolarHBondContact CE1-SG 3.49Å; F954-C968 HydrophobicContact CZ-CB 4.44Å
969	Y	92.7	Very high	73.5	Confident	39 Å²	39	52.1 Å²	52.1	15%	0.153	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.6	174.9	63	-85.5	0	0	0	112.5	Y846 M848 Y953 E955 V967	Y846-Y969 AromaticContact CD1-CD2 3.58Å; Y846-Y969 HydrophobicContact CD1-CD2 3.58Å; Y846-Y969 HydrophobicContact CD1-CE2 4.44Å; Y846-Y969 AromaticContact CD1-CG 3.87Å; Y846-Y969 HydrophobicContact CD1-CG 3.87Å; Y846-Y969 AromaticContact CE1-CD2 3.78Å; Y846-Y969 HydrophobicContact CE1-CD2 3.78Å; Y846-Y969 HydrophobicContact CE1-CE2 4.34Å; Y846-Y969 AromaticContact CE1-CG 3.95Å; Y846-Y969 HydrophobicContact CE1-CG 3.95Å; Y846-Y969 HydrophobicContact CG-CD2 4.45Å; Y846-Y969 HydrophobicContact CG-CG 4.43Å; M848-Y969 VanDerWaalsContact O-CA 3.26Å; M848-Y969 WeakPolarHBondContact O-CA 3.39Å; M848-Y969 WeakPolarHBondContact O-CB 3.09Å; Y953-Y969 VanDerWaalsContact CB-CZ 3.47Å; Y953-Y969 HydrophobicContact CD2-CE2 4.34Å; Y953-Y969 HydrophobicContact CG-CE2 4Å; Y953-Y969 PolarHBondContact N-O 3.16Å; Y953-Y969 PolarHBondContact O-N 3.17Å; E955-Y969 HydrophobicContact CG-CE1 4.1Å; E955-Y969 WeakPolarHBondContact OE1-CE1 3.41Å; V967-Y969 HydrophobicContact CG1-CD1 4.31Å
970	S	87.2	Confident	72.6	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	168.4	69	0	0	0	0	111.5	Y846 G847 M848 D951	Y846-S970 WeakPolarHBondContact CA-O 3.48Å; Y846-S970 VanDerWaalsContact CB-O 3.31Å; Y846-S970 WeakPolarHBondContact CB-O 3.4Å; G847-S970 WeakPolarHBondContact CA-OG 3.45Å; G847-S970 PolarHBondContact N-O 2.91Å; M848-S970 PolarHBondContact N-OG 3.16Å; M848-S970 VanDerWaalsContact N-OG 3.11Å; M848-S970 PolarHBondContact O-N 2.58Å; D951-S970 WeakPolarHBondContact O-CA 3.43Å; D951-S970 WeakPolarHBondContact O-CB 3.5Å
971	V	70.5	Confident	71.6	Confident	80 Å²	80	53.2 Å²	53.2	49%	0.485	30%	0.3	S	S	.	.			trans	-72	133.8	-179	176.4	0	0	0	0	110	Y953	Y953-V971 HydrophobicContact CD2-CG2 3.98Å; Y953-V971 HydrophobicContact CE2-CB 4.45Å; Y953-V971 HydrophobicContact CE2-CG2 3.67Å
972	S	55.5	Low	70.7	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.063	27%	0.27	C	S	.	.			trans	-88.4	129.2	170.6	-175.9	0	0	0	0	111.6	Q827 A845 L974 C975	Q827-S972 VanDerWaalsContact NE2-CB 3.32Å; Q827-S972 PolarHBondContact NE2-OG 3.05Å; Q827-S972 PolarHBondContact OE1-OG 3.15Å; A845-S972 VanDerWaalsContact O-CB 3.31Å; A845-S972 WeakPolarHBondContact O-CB 3.43Å; S972-L974 PolarHBondContact O-N 3.01Å; S972-L974 PolarHBondContact OG-N 3.41Å; S972-L974 VanDerWaalsContact OG-N 3.09Å; S972-C975 PolarHBondContact O-N 3.18Å; S972-C975 VanDerWaalsContact O-N 3.12Å
973	C	41.3	Very low	69.4	Low	108 Å²	108	47.3 Å²	47.3	73%	0.73	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58.6	-15.5	167.9	-57.8	0	0	0	0	113.6	C975	C973-C975 VanDerWaalsContact C-N 3.32Å
974	L	38.6	Very low	67.7	Low	92 Å²	92	50.6 Å²	50.6	48%	0.482	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-80.9	-5.4	177.4	-74.7	162.3	0	0	0	114	F659 Q827 S972 F976	F659-L974 HydrophobicContact CD1-CD2 4.19Å; F659-L974 HydrophobicContact CE1-CD1 4.32Å; F659-L974 HydrophobicContact CE1-CD2 4.13Å; F659-L974 HydrophobicContact CE1-CG 4.24Å; Q827-L974 VanDerWaalsContact OE1-CD1 3.32Å; S972-L974 PolarHBondContact O-N 3.01Å; S972-L974 PolarHBondContact OG-N 3.41Å; S972-L974 VanDerWaalsContact OG-N 3.09Å; L974-F976 PolarHBondContact O-N 2.66Å
975	C	33.2	Very low	65.7	Low	73 Å²	73	54.2 Å²	54.2	49%	0.493	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-75.1	-7.7	172.6	-71.9	0	0	0	0	114	S972 C973	S972-C975 PolarHBondContact O-N 3.18Å; S972-C975 VanDerWaalsContact O-N 3.12Å; C973-C975 VanDerWaalsContact C-N 3.32Å
976	F	27.1	Very low	63.3	Low	143 Å²	143	58.4 Å²	58.4	63%	0.627	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-96.2	16.8	-177.5	-88.4	-99.9	0	0	0	114.6	L974	L974-F976 PolarHBondContact O-N 2.66Å
977	V	26.9	Very low	60.4	Low	137 Å²	137	63.7 Å²	63.7	83%	0.83	36%	0.363	S	S	*	.			trans	-136.3	0	-178.4	-170.5	0	0	0	0	113.2	A656	A656-V977 HydrophobicContact CB-CG1 4.41Å

Retrieved 977 of 977 residues in 627.6 ms (Link to these results)

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