A0A087XEM3_POEFO Loading...

Focal adhesion kinase 1

AlphaFold DB , UniProt , Accession A0A087XEM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,071 aa.

						>A0A087XEM3_POEFO|A0A087XEM3
MEGLYHDISRIAYYTEYDRHLAAAVSAGKTMATAYMDPNLNNAFLAGAKSRLSAGGSDRTMAGSVDRVLKVFHYFETNTEHSFWSSNIRYGDATDVRGIIQKILDINKVRWTSCFGLRLSNSQSRDQLHWLHPDMGVSHIREKYEQARPNEEWRYELRIRYLPKGFVQQFTEDKPTLNYFYHQVKNDYMTQYGDQVEQDVALKLGCLEIRRFFKEMRGNALDKKSNYELLEKDVGLRRFFPKDLLDSVKAKTLRKLIQQTFKQVANLNDEQCILKFLEILASIYRYDKELFKCALGSSWVIQVELAIGPEEGISYLTDKGSTPTHLANFNQVQSIQYSAMEEKDRKGMLQLNVAGAAEPLTVTTASLTTAENLADLIDGYCRLVSMETHSFIVRVQKEGERALPSIPKVSNNEKKLEAVRSGVRTISVSEDLSGDETDDYAEIVDEEDTYTMPSMSYGVVEARDYEIQRDRIELGRCIGEGQFGDVHQGVYSCPDKPPLPVAIKTCKNCTTDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVKKYSLDLATLILFSYQLSTALAYLESKRFVHRDIAARNVLVSSVDCVMLGDFGLSRYMEDSSYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMYGIKPFQGVKNNDVIGRIENGERLAMPPQCPPTLYSLMTKCWSYDPSKRPRFTELKTQLSVILTEEKGLQEERLREEMRRQVTVSWDSGGSDEAPPKPSRPGYPSPRASESFFSNHFQPSPGGVGGVGGSYSSSDSWNQLRPEHAPLWNPTMEERLDVNQALMEETLIKQQQEMEEDRRWLEQKESHMKPESRNSRGSIDREDGTLQTPGGSPHIYQPVGKPEHVAPPKKPPRPGAHLPNLANLSPVDSYNDGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSNRIQPAAPEEYVPMVKDVGLALRTLLATVDETIPVLPASTHREIEMAQKLLNSDLAELISKMKLAQQYVMTSLQKDYKKQMLMAAHALAVDAKNLLDVIDQSRLKMISQIRPQ
					

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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	35.8	Very low	28.3	Very low	242 Å²	242	162.6 Å²	162.6	100%	1.192	82%	0.823	S	S	*	*				0	63.7	0	-174.4	-167.2	-68	0	0	107.2
2	E	28.1	Very low	28.3	Very low	198 Å²	198	155 Å²	155	93%	0.925	80%	0.803	S	S	*	*			trans	-150.7	140	-175	-87.7	170.2	160.5	0	0	105.4
3	G	25	Very low	28.4	Very low	82 Å²	82	159.9 Å²	159.9	85%	0.845	81%	0.807	S	S	*	*			trans	126.6	28.6	-168	0	0	0	0	0	115.1
4	L	26.6	Very low	28.5	Very low	157 Å²	157	164.1 Å²	164.1	82%	0.822	81%	0.811	S	S	*	*			trans	-134.5	21.5	179.3	-115.5	165.6	0	0	0	113
5	Y	26.8	Very low	28.5	Very low	205 Å²	205	159.7 Å²	159.7	80%	0.804	80%	0.797	S	S	*	*	S	Bend	trans	-124.4	22.8	-172.7	-101.1	-78.7	0	0	0	114.2
6	H	28	Very low	28.7	Very low	180 Å²	180	159.2 Å²	159.2	83%	0.833	79%	0.791	S	S	*	*	S	Bend	trans	-125.6	-0.5	178.7	-92.5	17.4	0	0	0	115.7
7	D	28.6	Very low	28.8	Very low	134 Å²	134	160.2 Å²	160.2	72%	0.717	79%	0.785	S	S	*	*	S	Bend	trans	-100.5	-2.9	178.6	-106.1	-38.6	0	0	0	114.8
8	I	27.9	Very low	29.1	Very low	124 Å²	124	156.7 Å²	156.7	64%	0.636	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-87	-16.2	-177	-56.5	-178.6	0	0	0	111.9	R10	I8-R10 PolarHBondContact O-N 2.65Å; I8-R10 VanDerWaalsContact O-N 3.12Å
9	S	26.8	Very low	29.2	Very low	97 Å²	97	157.7 Å²	157.7	68%	0.678	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-70.1	-4.6	-179.2	-40.3	0	0	0	0	115.2
10	R	30	Very low	29.3	Very low	223 Å²	223	158 Å²	158	84%	0.842	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-105.3	5.2	-172.6	-88.7	-176.9	166.5	174.4	-2.5	115.7	I8	I8-R10 PolarHBondContact O-N 2.65Å; I8-R10 VanDerWaalsContact O-N 3.12Å
11	I	28	Very low	29.5	Very low	147 Å²	147	156.4 Å²	156.4	75%	0.754	76%	0.759	S	S	*	*	S	Bend	trans	-110.9	-5	-175.8	-62.7	178.1	0	0	0	112.3
12	A	28.3	Very low	29.2	Very low	71 Å²	71	148 Å²	148	59%	0.587	73%	0.728	S	S	*	*	S	Bend	trans	-109.4	39.4	-167.8	0	0	0	0	0	115.8
13	Y	29.3	Very low	29.4	Very low	219 Å²	219	142.1 Å²	142.1	86%	0.859	71%	0.713	S	S	*	*	S	Bend	trans	-143.2	46.6	173.5	-96.4	-74	0	0	0	113.2
14	Y	30.3	Very low	29.7	Very low	219 Å²	219	142.5 Å²	142.5	86%	0.859	71%	0.709	S	S	*	*			trans	-140	50.1	174.3	-89.6	-79.9	0	0	0	111.2
15	T	28.2	Very low	30.1	Very low	98 Å²	98	141.2 Å²	141.2	60%	0.601	71%	0.707	S	S	*	*			trans	-131.4	-0.4	-171.3	42.3	0	0	0	0	115.8
16	E	31.1	Very low	30.4	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	71%	0.705	S	S	*	*	H	α-helix	trans	-85.4	-22.1	175.6	-93.8	174.7	160.5	0	0	114.3
17	Y	30.4	Very low	30.5	Very low	177 Å²	177	132.6 Å²	132.6	69%	0.694	70%	0.703	S	S	*	*	H	α-helix	trans	-73.9	-27.8	174.9	-151	-85.7	0	0	0	113	L21	Y17-L21 HydrophobicContact CD1-CD1 4.27Å; Y17-L21 HydrophobicContact CE1-CD1 3.94Å
18	D	33.6	Very low	30.6	Very low	96 Å²	96	129.7 Å²	129.7	51%	0.513	71%	0.705	S	S	.	*	H	α-helix	trans	-79.9	-23.9	-176	-79.1	-37.2	0	0	0	114	H20 A22	D18-H20 PolarHBondContact O-N 2.92Å; D18-A22 WeakPolarHBondContact O-CB 3.17Å; D18-A22 PolarHBondContact O-N 3.34Å
19	R	31.1	Very low	30.6	Very low	176 Å²	176	133.3 Å²	133.3	66%	0.664	72%	0.716	S	S	*	*	H	α-helix	trans	-62.7	-43.2	-179.7	-81.9	-174.2	176.2	155.5	0.9	112.8	L21 A23	R19-L21 PolarHBondContact O-N 3Å; R19-A23 PolarHBondContact O-N 3.06Å
20	H	32.9	Very low	30.6	Very low	163 Å²	163	135.2 Å²	135.2	76%	0.755	72%	0.724	S	S	*	*	H	α-helix	trans	-81.4	-12.7	-170.8	-69.3	-82	0	0	0	114.5	D18	D18-H20 PolarHBondContact O-N 2.92Å
21	L	33.3	Very low	30.4	Very low	125 Å²	125	133.3 Å²	133.3	65%	0.654	73%	0.727	S	S	*	*	H	α-helix	trans	-96.1	-29.5	169	-86	134.3	0	0	0	113	Y17 R19	Y17-L21 HydrophobicContact CD1-CD1 4.27Å; Y17-L21 HydrophobicContact CE1-CD1 3.94Å; R19-L21 PolarHBondContact O-N 3Å
22	A	29.7	Very low	30.2	Very low	65 Å²	65	131.2 Å²	131.2	54%	0.537	73%	0.731	S	S	.	*	H	α-helix	trans	-74.6	-31.5	178.2	0	0	0	0	0	113.7	D18 A24 V25	D18-A22 WeakPolarHBondContact O-CB 3.17Å; D18-A22 PolarHBondContact O-N 3.34Å; A22-A24 PolarHBondContact O-N 2.94Å; A22-V25 PolarHBondContact O-N 3.38Å
23	A	31.6	Very low	30	Very low	75 Å²	75	134 Å²	134	62%	0.62	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-25.8	-175.4	0	0	0	0	0	114.5	R19 V25	R19-A23 PolarHBondContact O-N 3.06Å; A23-V25 VanDerWaalsContact C-N 3.32Å; A23-V25 PolarHBondContact O-N 3.05Å
24	A	32	Very low	29.8	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-1	-175.2	0	0	0	0	0	115.1	A22	A22-A24 PolarHBondContact O-N 2.94Å
25	V	33.6	Very low	29.4	Very low	130 Å²	130	127.9 Å²	127.9	79%	0.788	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-14.6	-168.9	-174.5	0	0	0	0	114.1	A22 A23	A22-V25 PolarHBondContact O-N 3.38Å; A23-V25 VanDerWaalsContact C-N 3.32Å; A23-V25 PolarHBondContact O-N 3.05Å
26	S	33.6	Very low	29.2	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	75%	0.753	S	S	*	*			trans	-146.9	91.7	-177	-167.1	0	0	0	0	114.4
27	A	29.9	Very low	28.9	Very low	97 Å²	97	131.3 Å²	131.3	80%	0.802	75%	0.754	S	S	*	*			trans	-139.3	22	170.6	0	0	0	0	0	113.2	K29	A27-K29 PolarHBondContact O-N 3.46Å; A27-K29 VanDerWaalsContact O-N 3.1Å
28	G	29.9	Very low	28.8	Very low	73 Å²	73	128 Å²	128	75%	0.753	75%	0.754	S	S	*	*			trans	-85	60.7	-174.2	0	0	0	0	0	115.6
29	K	28.9	Very low	28.4	Very low	200 Å²	200	130 Å²	130	87%	0.87	77%	0.765	S	S	*	*	S	Bend	trans	-171.3	151.1	157	-105.2	144.5	-168.5	173.3	0	114.4	A27	A27-K29 PolarHBondContact O-N 3.46Å; A27-K29 VanDerWaalsContact O-N 3.1Å
30	T	26.9	Very low	28.2	Very low	137 Å²	137	128.7 Å²	128.7	84%	0.84	77%	0.77	S	S	*	*			trans	-67.1	146.3	-176.5	43.1	0	0	0	0	114.8
31	M	26.2	Very low	28	Very low	183 Å²	183	127.2 Å²	127.2	90%	0.901	77%	0.768	S	S	*	*			trans	-70.1	159.9	165.3	-69.2	-149.3	-63.6	0	0	112.9
32	A	24	Very low	27.7	Very low	103 Å²	103	129.4 Å²	129.4	85%	0.851	78%	0.78	S	S	*	*			trans	-121.8	138	159.3	0	0	0	0	0	109.3
33	T	24.3	Very low	27.5	Very low	130 Å²	130	130 Å²	130	80%	0.798	79%	0.785	S	S	*	*			trans	-89.1	148.9	-171.8	48.4	0	0	0	0	113.9
34	A	23.4	Very low	27.2	Very low	102 Å²	102	136 Å²	136	84%	0.843	80%	0.797	S	S	*	*			trans	-139.8	140.7	155.4	0	0	0	0	0	110.2
35	Y	23.4	Very low	27	Very low	206 Å²	206	140 Å²	140	81%	0.808	81%	0.805	S	S	*	*			trans	-85	159.2	-179.4	-86.3	-117.6	0	0	0	111.9
36	M	23.5	Very low	26.6	Very low	187 Å²	187	138.7 Å²	138.7	92%	0.921	81%	0.808	S	S	*	*				-161.1	158.1	112.7	-97.8	-53.2	159.4	0	0	112.1
37	D	23.8	Very low	26.2	Very low	134 Å²	134	137.3 Å²	137.3	72%	0.717	81%	0.81	S	S	*	*			trans	-105.9	145.3	-161.8	-159.9	36.8	0	0	0	112.1
38	P	28.8	Very low	26	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	81%	0.813	S	S	*	*			trans	-98.5	127.7	-175.3	35.1	-29.1	0	0	0	113.2
39	N	25.1	Very low	25.9	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	82%	0.821	S	S	*	*			trans	-159.4	118.9	168.4	-108.9	-57.2	0	0	0	113
40	L	27.4	Very low	25.7	Very low	148 Å²	148	140.5 Å²	140.5	78%	0.775	82%	0.82	S	S	*	*				174.5	121.2	117.5	-95.2	161.2	0	0	0	113.3
41	N	28.4	Very low	25.7	Very low	132 Å²	132	144.9 Å²	144.9	71%	0.706	82%	0.821	S	S	*	*			trans	33.5	125.7	145.5	-62.4	-8.1	0	0	0	121
42	N	27.4	Very low	25.7	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	82%	0.823	S	S	*	*				-140.3	143.5	108.6	-119.5	-27.8	0	0	0	110.8
43	A	26.1	Very low	25.7	Very low	76 Å²	76	145 Å²	145	63%	0.628	82%	0.819	S	S	*	*			trans	-146.2	141.9	-177.9	0	0	0	0	0	110
44	F	25.3	Very low	25.8	Very low	201 Å²	201	143.8 Å²	143.8	88%	0.882	82%	0.822	S	S	*	*			trans	168.1	110.8	135.9	-100.3	-68.6	0	0	0	111
45	L	27.3	Very low	25.8	Very low	177 Å²	177	143.1 Å²	143.1	93%	0.927	83%	0.826	S	S	*	*				-173.8	147.9	122	-98.6	165.4	0	0	0	108.6
46	A	25.5	Very low	25.8	Very low	102 Å²	102	137 Å²	137	84%	0.843	83%	0.825	S	S	*	*			trans	-149.8	153.2	-168.3	0	0	0	0	0	112.8
47	G	24.5	Very low	26.2	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	82%	0.821	S	S	*	*			trans	122.4	134.2	179.7	0	0	0	0	0	111.6
48	A	25.8	Very low	26.3	Very low	105 Å²	105	134.5 Å²	134.5	87%	0.868	83%	0.825	S	S	*	*			cis	-147.4	161.1	-5.7	0	0	0	0	0	110.6
49	K	27.9	Very low	26.6	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	84%	0.837	S	S	*	*			trans	-95.5	139.5	175.7	-69.8	-178.8	178.1	177.6	0	110.7
50	S	23.8	Very low	26.7	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	83%	0.831	S	S	*	*			trans	-115.7	152	154.6	-171.5	0	0	0	0	109.4
51	R	27.7	Very low	26.7	Very low	229 Å²	229	141.2 Å²	141.2	86%	0.864	84%	0.837	S	S	*	*			trans	-125.8	141.5	175.3	-77.8	175.6	164.5	171.3	-6.2	108.1
52	L	26	Very low	26.8	Very low	177 Å²	177	140 Å²	140	93%	0.927	85%	0.845	S	S	*	*				-170.6	170.2	123.7	-102.4	165.1	0	0	0	110
53	S	24.6	Very low	27.1	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	84%	0.841	S	S	*	*			trans	-122.7	137.5	-164.6	54.8	0	0	0	0	113.3
54	A	25.7	Very low	27.5	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	85%	0.848	S	S	*	*			trans	-144.8	143.1	152.6	0	0	0	0	0	107.9
55	G	24.3	Very low	28.1	Very low	88 Å²	88	134 Å²	134	91%	0.907	84%	0.844	S	S	*	*			trans	-92.1	146	-175.3	0	0	0	0	0	113.2
56	G	23.5	Very low	29.4	Very low	78 Å²	78	131.9 Å²	131.9	80%	0.804	83%	0.834	S	S	*	*			trans	-149.8	141.6	167.2	0	0	0	0	0	108.3
57	S	32.1	Very low	31.7	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	81%	0.812	S	S	*	*			trans	-90.3	116.5	-174.7	54.2	0	0	0	0	111.8
58	D	24.7	Very low	34.3	Very low	149 Å²	149	130.8 Å²	130.8	80%	0.797	79%	0.789	S	S	*	*			trans	-116.7	121.5	158.4	-98.5	-50.7	0	0	0	109.5	T60	D58-T60 PolarHBondContact OD1-OG1 3.25Å
59	R	34.9	Very low	36.9	Very low	251 Å²	251	125.9 Å²	125.9	95%	0.947	75%	0.749	S	S	*	*			trans	-134.2	64.2	-179.7	-159.4	-172.8	-168.9	-155.8	2.3	108.4
60	T	27.5	Very low	39.7	Very low	100 Å²	100	119.7 Å²	119.7	61%	0.613	72%	0.722	S	S	*	*			trans	-141.9	137.4	-165.9	26.1	0	0	0	0	110.7	D58	D58-T60 PolarHBondContact OD1-OG1 3.25Å
61	M	27.9	Very low	42.8	Very low	185 Å²	185	113.9 Å²	113.9	91%	0.911	68%	0.681	S	S	*	*			trans	58.8	64	165.6	-53.3	-51.5	177.7	0	0	117.9
62	A	30.5	Very low	45.8	Very low	106 Å²	106	104.4 Å²	104.4	88%	0.876	65%	0.646	S	S	*	*			trans	-136	108.6	152.1	0	0	0	0	0	110.1
63	G	33.4	Very low	48.9	Very low	80 Å²	80	96.6 Å²	96.6	83%	0.825	61%	0.605	S	S	*	*			trans	104.6	91.8	171.7	0	0	0	0	0	116.4
64	S	35.4	Very low	52.1	Low	112 Å²	112	92.4 Å²	92.4	78%	0.783	57%	0.572	S	S	*	*	S	Bend	trans	-140.4	0.1	161.3	61.5	0	0	0	0	114.1
65	V	38	Very low	54.9	Low	132 Å²	132	87.9 Å²	87.9	80%	0.8	53%	0.533	S	S	*	.	S	Bend	trans	-90.4	-15	-172.4	-169.7	0	0	0	0	112.7	R67	V65-R67 PolarHBondContact O-N 2.96Å
66	D	54.8	Low	57.1	Low	131 Å²	131	86.3 Å²	86.3	70%	0.701	50%	0.502	S	S	*	.			trans	-91.2	0.5	-159.9	-147	7.8	0	0	0	115.3	V68 R141	D66-V68 PolarHBondContact O-N 3.37Å; D66-R141 PolarHBondContact O-NH1 3.48Å
67	R	73.3	Confident	58.7	Low	103 Å²	103	84.9 Å²	84.9	39%	0.389	48%	0.478	S	S	.	.			trans	-98.6	59.4	-176.8	-63.8	-173.7	-177.1	-175.6	-4.6	112.2	V65 R89 Y90 D92	V65-R67 PolarHBondContact O-N 2.96Å; R67-R89 VanDerWaalsContact O-CA 3.26Å; R67-R89 WeakPolarHBondContact O-CA 3.38Å; R67-Y90 HydrophobicContact CB-CE1 4.21Å; R67-Y90 PolarHBondContact O-N 3.26Å; R67-D92 VanDerWaalsContact CZ-CG 3.4Å; R67-D92 IonicContact CZ-OD1 2.76Å; R67-D92 IonicContact CZ-OD2 3.55Å; R67-D92 IonicContact NE-OD1 3.71Å; R67-D92 IonicContact NH1-OD1 2.66Å; R67-D92 PolarHBondContact NH1-OD1 3.47Å; R67-D92 IonicContact NH1-OD2 2.56Å; R67-D92 PolarHBondContact NH1-OD2 3.25Å; R67-D92 IonicContact NH2-OD1 3.79Å; R67-D92 PolarHBondContact NH2-OD1 2.77Å; R67-D92 IonicContact NH2-OD2 3.63Å; R67-D92 PolarHBondContact NH2-OD2 2.94Å
68	V	77.6	Confident	59.4	Low	53 Å²	53	83.7 Å²	83.7	32%	0.321	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.1	174.3	-177.7	0	0	0	0	109.8	D66 N87 I88	D66-V68 PolarHBondContact O-N 3.37Å; V68-N87 HydrophobicContact CG1-CB 3.76Å; V68-I88 CarbonylContact C-O 3.21Å; V68-I88 WeakPolarHBondContact CA-O 3.46Å
69	L	81.6	Confident	60.2	Low	3 Å²	3	80 Å²	80	2%	0.016	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.1	179.4	-172.5	74.1	0	0	0	110	V71 I88 Y90 I99 V137 Y155	L69-V71 HydrophobicContact CD2-CG2 3.71Å; L69-V71 HydrophobicContact CG-CG2 3.92Å; L69-V71 PolarHBondContact O-N 2.92Å; L69-I88 PolarHBondContact N-O 3.41Å; L69-I88 PolarHBondContact O-N 3.16Å; L69-Y90 HydrophobicContact CB-CD1 4.05Å; L69-Y90 HydrophobicContact CB-CE1 4.08Å; L69-I99 HydrophobicContact CD2-CD1 4.3Å; L69-I99 HydrophobicContact CD2-CG1 4.27Å; L69-I99 HydrophobicContact CD2-CG2 4.11Å; L69-V137 HydrophobicContact CD1-CG1 4.49Å; L69-V137 HydrophobicContact CD2-CG1 4.05Å; L69-Y155 HydrophobicContact CD1-CD1 4.13Å; L69-Y155 HydrophobicContact CD1-CD2 3.67Å; L69-Y155 HydrophobicContact CD1-CE1 3.98Å; L69-Y155 HydrophobicContact CD1-CE2 3.52Å; L69-Y155 HydrophobicContact CD1-CG 3.98Å; L69-Y155 HydrophobicContact CG-CD2 4.46Å; L69-Y155 HydrophobicContact CG-CG 4.47Å
70	K	86.6	Confident	60.6	Low	79 Å²	79	75.5 Å²	75.5	34%	0.343	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.1	175.6	-174.7	170.9	-178.2	77.2	0	110.3	F72 S85 N87 E446	K70-F72 HydrophobicContact CD-CZ 4.44Å; K70-F72 HydrophobicContact CG-CE2 4.46Å; K70-S85 WeakPolarHBondContact CE-OG 3.4Å; K70-S85 PolarHBondContact NZ-OG 2.89Å; K70-N87 VanDerWaalsContact CB-OD1 3.31Å; K70-N87 WeakPolarHBondContact CB-OD1 3.48Å; K70-N87 VanDerWaalsContact CG-OD1 3.25Å; K70-N87 WeakPolarHBondContact CG-OD1 3.11Å; K70-E446 IonicContact NZ-OE1 3.09Å; K70-E446 PolarHBondContact NZ-OE1 2.94Å; K70-E446 IonicContact NZ-OE2 2.75Å; K70-E446 PolarHBondContact NZ-OE2 3.45Å
71	V	88.4	Confident	61.7	Low	0 Å²	0	73 Å²	73	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.5	-179.4	-178.4	0	0	0	0	109.8	L69 S85 S86 I88 I99 I103 L117 L157	L69-V71 HydrophobicContact CD2-CG2 3.71Å; L69-V71 HydrophobicContact CG-CG2 3.92Å; L69-V71 PolarHBondContact O-N 2.92Å; V71-S85 CarbonylContact O-C 3.1Å; V71-S85 WeakPolarHBondContact O-CA 3.44Å; V71-S85 WeakPolarHBondContact O-CB 3.46Å; V71-S86 PolarHBondContact N-O 3.13Å; V71-S86 PolarHBondContact O-N 3.36Å; V71-I88 HydrophobicContact CB-CD1 4.3Å; V71-I88 HydrophobicContact CG2-CD1 4.03Å; V71-I99 HydrophobicContact CG2-CG2 3.94Å; V71-I103 HydrophobicContact CB-CD1 4.14Å; V71-I103 HydrophobicContact CG1-CD1 3.77Å; V71-L117 HydrophobicContact CG1-CD1 3.71Å; V71-L157 HydrophobicContact CG1-CB 3.97Å
72	F	90.6	Very high	62.5	Low	30 Å²	30	67.6 Å²	67.6	13%	0.132	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.6	172.5	-69.2	-85.5	0	0	0	111.2	K70 F83 W84 R154 Y155 E156 L157	K70-F72 HydrophobicContact CD-CZ 4.44Å; K70-F72 HydrophobicContact CG-CE2 4.46Å; F72-F83 HydrophobicContact CE1-CB 4.11Å; F72-F83 AromaticContact CE1-CD1 3.95Å; F72-F83 HydrophobicContact CE1-CD1 3.95Å; F72-W84 WeakPolarHBondContact CA-O 3.29Å; F72-W84 WeakPolarHBondContact CD1-O 3.43Å; F72-R154 HydrophobicContact CD2-CG 3.48Å; F72-R154 VanDerWaalsContact CD2-CG 3.48Å; F72-R154 HydrophobicContact CE2-CG 3.73Å; F72-R154 HydrophobicContact CG-CG 4.41Å; F72-Y155 WeakPolarHBondContact CD2-O 3.42Å; F72-Y155 PolarHBondContact N-O 2.76Å; F72-E156 HydrophobicContact CB-CG 4.33Å; F72-E156 CarbonylContact O-C 3.56Å; F72-E156 WeakPolarHBondContact O-CA 3.41Å; F72-L157 PolarHBondContact O-N 3.14Å
73	H	92.1	Very high	63.6	Low	13 Å²	13	69.4 Å²	69.4	6%	0.06	39%	0.385	C	S	.	.			trans	-154.9	173.6	-176.2	60	61	0	0	0	112.6	F75 T77 W84 S85 S86 L157 Y179	H73-F75 HydrophobicContact CB-CD2 4.31Å; H73-F75 AromaticContact ND1-CD2 3.95Å; H73-F75 PolarHBondContact ND1-N 3.02Å; H73-T77 WeakPolarHBondContact CE1-CG2 3.42Å; H73-W84 PolarHBondContact N-O 2.91Å; H73-W84 VanDerWaalsContact O-CB 3.31Å; H73-W84 WeakPolarHBondContact O-CB 3.28Å; H73-S85 PolarHBondContact NE2-O 2.95Å; H73-S86 WeakPolarHBondContact NE2-CA 3.35Å; H73-S86 WeakPolarHBondContact NE2-CB 3.26Å; H73-S86 PolarHBondContact NE2-N 3.09Å; H73-S86 PolarHBondContact NE2-OG 3.27Å; H73-L157 HydrophobicContact CB-CB 4.13Å; H73-L157 HydrophobicContact CB-CD2 4.22Å; H73-Y179 VanDerWaalsContact CA-OH 3.28Å; H73-Y179 WeakPolarHBondContact CA-OH 3.5Å; H73-Y179 HydrophobicContact CB-CE2 4.02Å; H73-Y179 VanDerWaalsContact CB-OH 3.3Å; H73-Y179 WeakPolarHBondContact CB-OH 3.35Å
74	Y	90.3	Very high	65.8	Low	23 Å²	23	66.6 Å²	66.6	9%	0.09	35%	0.35	C	S	.	.			trans	-109.3	20.1	-176	-66	-74	0	0	0	114.7	E156 R158 Y179 H182 Q183 N186	Y74-E156 PolarHBondContact OH-OE1 3.44Å; Y74-R158 HydrophobicContact CE2-CG 4.38Å; Y74-R158 PolarHBondContact OH-NH1 3.03Å; Y74-Y179 AromaticContact CD2-CE1 3.82Å; Y74-Y179 HydrophobicContact CD2-CE1 3.82Å; Y74-Y179 HydrophobicContact CG-CE1 4.29Å; Y74-Y179 PolarHBondContact N-OH 3.29Å; Y74-Y179 VanDerWaalsContact N-OH 3.12Å; Y74-H182 HydrophobicContact CD1-CB 4.08Å; Y74-H182 HydrophobicContact CG-CB 4.41Å; Y74-Q183 HydrophobicContact CD1-CB 4.49Å; Y74-Q183 HydrophobicContact CD2-CB 3.64Å; Y74-Q183 HydrophobicContact CD2-CG 3.97Å; Y74-Q183 HydrophobicContact CE2-CB 3.89Å; Y74-Q183 HydrophobicContact CE2-CG 3.78Å; Y74-Q183 HydrophobicContact CG-CB 3.96Å; Y74-N186 HydrophobicContact CE1-CB 3.61Å; Y74-N186 PolarHBondContact OH-ND2 2.69Å
75	F	86.3	Confident	68	Low	10 Å²	10	62.1 Å²	62.1	4%	0.044	32%	0.318	C	S	.	.			trans	-77.1	129	171.3	-65.9	-69.7	0	0	0	110.9	H73 T77 I103 L104 N107 V109 F115 L157 P175 Y179	H73-F75 HydrophobicContact CB-CD2 4.31Å; H73-F75 AromaticContact ND1-CD2 3.95Å; H73-F75 PolarHBondContact ND1-N 3.02Å; F75-T77 PolarHBondContact O-N 3.33Å; F75-I103 HydrophobicContact CD2-CG2 4.04Å; F75-I103 HydrophobicContact CE2-CG2 3.76Å; F75-L104 HydrophobicContact CE2-CD2 4.15Å; F75-L104 HydrophobicContact CZ-CD2 3.8Å; F75-N107 HydrophobicContact CD1-CB 3.65Å; F75-N107 VanDerWaalsContact CD1-CG 3.48Å; F75-N107 WeakPolarHBondContact CD1-OD1 3.4Å; F75-N107 HydrophobicContact CD2-CB 4.26Å; F75-N107 WeakPolarHBondContact CD2-ND2 3.13Å; F75-N107 HydrophobicContact CE1-CB 3.44Å; F75-N107 VanDerWaalsContact CE1-CB 3.44Å; F75-N107 HydrophobicContact CE2-CB 4.08Å; F75-N107 HydrophobicContact CG-CB 4.08Å; F75-N107 VanDerWaalsContact CG-CG 3.41Å; F75-N107 VanDerWaalsContact CG-OD1 3.3Å; F75-N107 WeakPolarHBondContact CG-OD1 3.46Å; F75-N107 HydrophobicContact CZ-CB 3.69Å; F75-V109 HydrophobicContact CE1-CG2 3.74Å; F75-V109 HydrophobicContact CZ-CG2 3.74Å; F75-F115 HydrophobicContact CZ-CE1 4.39Å; F75-F115 HydrophobicContact CZ-CZ 4.49Å; F75-L157 HydrophobicContact CE2-CD2 4.04Å; F75-P175 HydrophobicContact CE1-CB 4.44Å; F75-Y179 AromaticContact CD1-CD2 3.63Å; F75-Y179 HydrophobicContact CD1-CD2 3.63Å; F75-Y179 HydrophobicContact CD1-CE2 4.26Å; F75-Y179 AromaticContact CD2-CD2 3.71Å; F75-Y179 HydrophobicContact CD2-CD2 3.71Å; F75-Y179 AromaticContact CD2-CE2 3.46Å; F75-Y179 HydrophobicContact CD2-CE2 3.46Å; F75-Y179 VanDerWaalsContact CD2-CE2 3.46Å; F75-Y179 AromaticContact CE1-CD2 3.48Å; F75-Y179 HydrophobicContact CE1-CD2 3.48Å; F75-Y179 VanDerWaalsContact CE1-CD2 3.48Å; F75-Y179 HydrophobicContact CE1-CE2 4.16Å; F75-Y179 HydrophobicContact CE1-CG 4.36Å; F75-Y179 AromaticContact CE2-CD2 3.57Å; F75-Y179 HydrophobicContact CE2-CD2 3.57Å; F75-Y179 AromaticContact CE2-CE2 3.33Å; F75-Y179 HydrophobicContact CE2-CE2 3.33Å; F75-Y179 AromaticContact CG-CD2 3.72Å; F75-Y179 HydrophobicContact CG-CD2 3.72Å; F75-Y179 AromaticContact CG-CE2 3.92Å; F75-Y179 HydrophobicContact CG-CE2 3.92Å; F75-Y179 AromaticContact CZ-CD2 3.44Å; F75-Y179 HydrophobicContact CZ-CD2 3.44Å; F75-Y179 VanDerWaalsContact CZ-CD2 3.44Å; F75-Y179 AromaticContact CZ-CE2 3.69Å; F75-Y179 HydrophobicContact CZ-CE2 3.69Å; F75-Y179 HydrophobicContact CZ-CG 4.42Å
76	E	69.8	Low	70.1	Confident	56 Å²	56	56.6 Å²	56.6	26%	0.262	29%	0.285	S	S	.	.			trans	-72.6	87.3	-173.6	-168.2	-165	-114.7	0	0	112.8	W84 H182 R211 K631	E76-W84 HydrophobicContact CB-CH2 4.07Å; E76-W84 HydrophobicContact CB-CZ2 4.08Å; E76-W84 HydrophobicContact CG-CH2 4.04Å; E76-W84 HydrophobicContact CG-CZ2 3.79Å; E76-H182 IonicContact OE1-NE2 2.66Å; E76-R211 IonicContact OE1-CZ 3.25Å; E76-R211 IonicContact OE1-NH1 3.26Å; E76-R211 PolarHBondContact OE1-NH1 2.76Å; E76-R211 IonicContact OE1-NH2 2.82Å; E76-R211 PolarHBondContact OE1-NH2 3.07Å; E76-K631 WeakPolarHBondContact OE2-CE 3.41Å; E76-K631 IonicContact OE2-NZ 3.86Å; E76-K631 PolarHBondContact OE2-NZ 3.22Å
77	T	57.8	Low	71.1	Confident	48 Å²	48	51.9 Å²	51.9	29%	0.294	26%	0.26	S	S	.	.			trans	-84.7	166.5	171.3	81.9	0	0	0	0	112	H73 F75 T79 H81 W84	H73-T77 WeakPolarHBondContact CE1-CG2 3.42Å; F75-T77 PolarHBondContact O-N 3.33Å; T77-T79 VanDerWaalsContact C-N 3.32Å; T77-T79 PolarHBondContact O-N 3.18Å; T77-T79 PolarHBondContact OG1-OG1 3.41Å; T77-T79 VanDerWaalsContact OG1-OG1 3.09Å; T77-H81 PolarHBondContact O-CE1 2.73Å; T77-W84 PolarHBondContact O-NE1 3.21Å; T77-W84 PolarHBondContact OG1-NE1 3.38Å
78	N	46.5	Very low	71.2	Confident	94 Å²	94	47 Å²	47	50%	0.503	24%	0.242	S	C	.	.	S	Bend	trans	-77.8	-9.1	-174.1	-58.7	-73.4	0	0	0	114.5	S630	N78-S630 WeakPolarHBondContact OD1-CB 3.48Å
79	T	40.6	Very low	71	Confident	71 Å²	71	50.1 Å²	50.1	44%	0.436	25%	0.248	S	C	.	.	S	Bend	trans	-77.4	171.9	-179.5	56.1	0	0	0	0	112.2	T77 H81	T77-T79 VanDerWaalsContact C-N 3.32Å; T77-T79 PolarHBondContact O-N 3.18Å; T77-T79 PolarHBondContact OG1-OG1 3.41Å; T77-T79 VanDerWaalsContact OG1-OG1 3.09Å; T79-H81 PolarHBondContact O-CE1 3.36Å; T79-H81 VanDerWaalsContact O-CE1 3.23Å; T79-H81 PolarHBondContact O-N 2.88Å; T79-H81 PolarHBondContact O-ND1 3.24Å
80	E	43.8	Very low	70.8	Confident	157 Å²	157	50.6 Å²	50.6	73%	0.734	25%	0.249	S	C	*	.			trans	-66.4	131.4	-174.8	-59.9	-138.4	114.9	0	0	112.9	S82	E80-S82 VanDerWaalsContact C-N 3.31Å; E80-S82 PolarHBondContact O-N 3.07Å
81	H	51.4	Low	70.1	Confident	46 Å²	46	47.3 Å²	47.3	21%	0.213	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	66.3	-161.8	-53.7	-8.3	0	0	0	113.3	T77 T79 W84 F212 R238	T77-H81 PolarHBondContact O-CE1 2.73Å; T79-H81 PolarHBondContact O-CE1 3.36Å; T79-H81 VanDerWaalsContact O-CE1 3.23Å; T79-H81 PolarHBondContact O-N 2.88Å; T79-H81 PolarHBondContact O-ND1 3.24Å; H81-W84 HydrophobicContact CB-CZ2 4.03Å; H81-W84 AromaticContact CD2-CZ2 3.67Å; H81-W84 AromaticContact CE1-CZ2 3.74Å; H81-W84 AromaticContact CE1-NE1 3.95Å; H81-W84 AromaticContact CG-CE2 3.86Å; H81-W84 AromaticContact CG-CZ2 3.46Å; H81-W84 VanDerWaalsContact CG-CZ2 3.46Å; H81-W84 AromaticContact ND1-CE2 3.62Å; H81-W84 AromaticContact ND1-CZ2 3.5Å; H81-W84 WeakPolarHBondContact ND1-CZ2 3.13Å; H81-W84 AromaticContact ND1-NE1 3.36Å; H81-W84 PolarHBondContact ND1-NE1 3.47Å; H81-W84 AromaticContact NE2-CZ2 3.93Å; H81-F212 AromaticContact CD2-CE2 3.85Å; H81-F212 AromaticContact NE2-CE2 3.78Å; H81-R238 PolarHBondContact CD2-NH2 3.12Å; H81-R238 VanDerWaalsContact CG-NH2 3.3Å
82	S	43	Very low	69.4	Low	73 Å²	73	51.3 Å²	51.3	51%	0.51	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-22.4	163	-63.9	0	0	0	0	112.4	E80	E80-S82 VanDerWaalsContact C-N 3.31Å; E80-S82 PolarHBondContact O-N 3.07Å
83	F	54.7	Low	68.8	Low	143 Å²	143	51 Å²	51	63%	0.627	26%	0.262	S	S	*	.			trans	-138.5	54.8	-168.8	-55.7	-71.1	0	0	0	111.8	F72 S85	F72-F83 HydrophobicContact CE1-CB 4.11Å; F72-F83 AromaticContact CE1-CD1 3.95Å; F72-F83 HydrophobicContact CE1-CD1 3.95Å; F83-S85 PolarHBondContact O-N 3.49Å
84	W	78.6	Confident	68.2	Low	22 Å²	22	50.5 Å²	50.5	8%	0.083	26%	0.26	C	S	.	.			trans	-69.8	119.1	166.7	-68.1	-32.9	0	0	0	109.6	F72 H73 E76 T77 H81 H182	F72-W84 WeakPolarHBondContact CA-O 3.29Å; F72-W84 WeakPolarHBondContact CD1-O 3.43Å; H73-W84 PolarHBondContact N-O 2.91Å; H73-W84 VanDerWaalsContact O-CB 3.31Å; H73-W84 WeakPolarHBondContact O-CB 3.28Å; E76-W84 HydrophobicContact CB-CH2 4.07Å; E76-W84 HydrophobicContact CB-CZ2 4.08Å; E76-W84 HydrophobicContact CG-CH2 4.04Å; E76-W84 HydrophobicContact CG-CZ2 3.79Å; T77-W84 PolarHBondContact O-NE1 3.21Å; T77-W84 PolarHBondContact OG1-NE1 3.38Å; H81-W84 HydrophobicContact CB-CZ2 4.03Å; H81-W84 AromaticContact CD2-CZ2 3.67Å; H81-W84 AromaticContact CE1-CZ2 3.74Å; H81-W84 AromaticContact CE1-NE1 3.95Å; H81-W84 AromaticContact CG-CE2 3.86Å; H81-W84 AromaticContact CG-CZ2 3.46Å; H81-W84 VanDerWaalsContact CG-CZ2 3.46Å; H81-W84 AromaticContact ND1-CE2 3.62Å; H81-W84 AromaticContact ND1-CZ2 3.5Å; H81-W84 WeakPolarHBondContact ND1-CZ2 3.13Å; H81-W84 AromaticContact ND1-NE1 3.36Å; H81-W84 PolarHBondContact ND1-NE1 3.47Å; H81-W84 AromaticContact NE2-CZ2 3.93Å; W84-H182 AromaticContact CH2-CD2 3.64Å; W84-H182 AromaticContact CH2-CE1 3.99Å; W84-H182 AromaticContact CH2-CG 3.86Å; W84-H182 AromaticContact CH2-NE2 3.74Å; W84-H182 HydrophobicContact CZ3-CB 3.94Å; W84-H182 AromaticContact CZ3-CD2 3.75Å; W84-H182 AromaticContact CZ3-CG 3.74Å
85	S	83.1	Confident	68.1	Low	18 Å²	18	51.5 Å²	51.5	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.2	-179.8	48.3	0	0	0	0	112	K70 V71 H73 F83 E446	K70-S85 WeakPolarHBondContact CE-OG 3.4Å; K70-S85 PolarHBondContact NZ-OG 2.89Å; V71-S85 CarbonylContact O-C 3.1Å; V71-S85 WeakPolarHBondContact O-CA 3.44Å; V71-S85 WeakPolarHBondContact O-CB 3.46Å; H73-S85 PolarHBondContact NE2-O 2.95Å; F83-S85 PolarHBondContact O-N 3.49Å; S85-E446 PolarHBondContact OG-OE2 2.94Å
86	S	80.4	Confident	68.3	Low	15 Å²	15	51 Å²	51	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.9	165	-70.3	0	0	0	0	108.6	V71 H73	V71-S86 PolarHBondContact N-O 3.13Å; V71-S86 PolarHBondContact O-N 3.36Å; H73-S86 WeakPolarHBondContact NE2-CA 3.35Å; H73-S86 WeakPolarHBondContact NE2-CB 3.26Å; H73-S86 PolarHBondContact NE2-N 3.09Å; H73-S86 PolarHBondContact NE2-OG 3.27Å
87	N	77.6	Confident	69.3	Low	33 Å²	33	52.2 Å²	52.2	18%	0.176	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123	169.8	-77.2	-11.5	0	0	0	108.7	V68 K70 I443 V444 E446	V68-N87 HydrophobicContact CG1-CB 3.76Å; K70-N87 VanDerWaalsContact CB-OD1 3.31Å; K70-N87 WeakPolarHBondContact CB-OD1 3.48Å; K70-N87 VanDerWaalsContact CG-OD1 3.25Å; K70-N87 WeakPolarHBondContact CG-OD1 3.11Å; N87-I443 CarbonylContact O-C 3.55Å; N87-I443 WeakPolarHBondContact O-CA 3.36Å; N87-I443 WeakPolarHBondContact O-CG2 3.47Å; N87-V444 HydrophobicContact CB-CB 4.24Å; N87-V444 PolarHBondContact O-N 2.68Å; N87-E446 HydrophobicContact CB-CG 4.17Å; N87-E446 VanDerWaalsContact CG-CD 3.44Å; N87-E446 VanDerWaalsContact ND2-CG 3.32Å; N87-E446 WeakPolarHBondContact ND2-CG 3.3Å; N87-E446 PolarHBondContact ND2-OE1 3.12Å; N87-E446 PolarHBondContact OD1-OE1 3.17Å
88	I	75.1	Confident	70.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111	-169.7	-52.2	177.3	0	0	0	108.8	V68 L69 V71 I99 I103 A441 E442 I443	V68-I88 CarbonylContact C-O 3.21Å; V68-I88 WeakPolarHBondContact CA-O 3.46Å; L69-I88 PolarHBondContact N-O 3.41Å; L69-I88 PolarHBondContact O-N 3.16Å; V71-I88 HydrophobicContact CB-CD1 4.3Å; V71-I88 HydrophobicContact CG2-CD1 4.03Å; I88-I99 HydrophobicContact CB-CD1 4.4Å; I88-I99 HydrophobicContact CD1-CG2 3.96Å; I88-I99 HydrophobicContact CG2-CD1 3.71Å; I88-I103 HydrophobicContact CD1-CD1 3.62Å; I88-I103 HydrophobicContact CD1-CG1 3.51Å; I88-A441 HydrophobicContact CG2-CB 4.29Å; I88-E442 CarbonylContact C-O 3.53Å; I88-E442 WeakPolarHBondContact CA-O 3.29Å; I88-I443 HydrophobicContact CD1-CD1 4.2Å; I88-I443 HydrophobicContact CG1-CD1 4.1Å; I88-I443 HydrophobicContact CG1-CG1 4.09Å
89	R	72.8	Confident	72.5	Confident	118 Å²	118	46.8 Å²	46.8	45%	0.445	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	139.2	166.6	-179.3	-176.5	-69.1	152.6	-4.1	109	R67 A441 E442	R67-R89 VanDerWaalsContact O-CA 3.26Å; R67-R89 WeakPolarHBondContact O-CA 3.38Å; R89-A441 CarbonylContact O-C 3.57Å; R89-A441 WeakPolarHBondContact O-CA 3.49Å; R89-E442 HydrophobicContact CB-CB 4.34Å; R89-E442 IonicContact CZ-OE2 2.89Å; R89-E442 PolarHBondContact N-O 3.21Å; R89-E442 IonicContact NE-OE2 3.18Å; R89-E442 IonicContact NH1-OE2 3.94Å; R89-E442 PolarHBondContact NH1-OE2 2.93Å; R89-E442 PolarHBondContact O-N 3.41Å
90	Y	76.4	Confident	74.9	Confident	13 Å²	13	43.9 Å²	43.9	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.4	-175.2	66.4	-85.2	0	0	0	112.9	R67 L69 V137 R141 Y440	R67-Y90 HydrophobicContact CB-CE1 4.21Å; R67-Y90 PolarHBondContact O-N 3.26Å; L69-Y90 HydrophobicContact CB-CD1 4.05Å; L69-Y90 HydrophobicContact CB-CE1 4.08Å; Y90-V137 HydrophobicContact CD1-CG1 4.22Å; Y90-V137 HydrophobicContact CD2-CB 3.94Å; Y90-V137 HydrophobicContact CD2-CG1 3.77Å; Y90-V137 HydrophobicContact CE1-CG1 4.11Å; Y90-V137 HydrophobicContact CE2-CB 4.09Å; Y90-V137 HydrophobicContact CE2-CG1 3.68Å; Y90-V137 HydrophobicContact CG-CG1 4.1Å; Y90-R141 WeakPolarHBondContact OH-CD 3.46Å; Y90-R141 PolarHBondContact OH-NH1 2.84Å; Y90-Y440 CarbonylContact C-O 3.59Å
91	G	71.9	Confident	77	Confident	11 Å²	11	39.8 Å²	39.8	11%	0.113	21%	0.206	C	C	.	.			trans	-83	175.7	176.3	0	0	0	0	0	113.2	A93 T94 Y440	G91-A93 VanDerWaalsContact C-N 3.32Å; G91-A93 PolarHBondContact O-N 3.34Å; G91-T94 PolarHBondContact N-OG1 3.3Å; G91-T94 PolarHBondContact O-N 2.93Å; G91-T94 PolarHBondContact O-OG1 3.44Å; G91-Y440 PolarHBondContact N-O 3.03Å
92	D	74.1	Confident	78.4	Confident	83 Å²	83	40.9 Å²	40.9	44%	0.444	21%	0.21	S	C	.	.	S	Bend	trans	-70.6	-30.2	-177.9	-82.8	-49.5	0	0	0	112.9	R67	R67-D92 VanDerWaalsContact CZ-CG 3.4Å; R67-D92 IonicContact CZ-OD1 2.76Å; R67-D92 IonicContact CZ-OD2 3.55Å; R67-D92 IonicContact NE-OD1 3.71Å; R67-D92 IonicContact NH1-OD1 2.66Å; R67-D92 PolarHBondContact NH1-OD1 3.47Å; R67-D92 IonicContact NH1-OD2 2.56Å; R67-D92 PolarHBondContact NH1-OD2 3.25Å; R67-D92 IonicContact NH2-OD1 3.79Å; R67-D92 PolarHBondContact NH2-OD1 2.77Å; R67-D92 IonicContact NH2-OD2 3.63Å; R67-D92 PolarHBondContact NH2-OD2 2.94Å
93	A	77.8	Confident	80.4	Confident	23 Å²	23	37.4 Å²	37.4	19%	0.19	19%	0.185	C	C	.	.	S	Bend	trans	-84.3	-15.8	179.5	0	0	0	0	0	114	G91 D95 D438 D439	G91-A93 VanDerWaalsContact C-N 3.32Å; G91-A93 PolarHBondContact O-N 3.34Å; A93-D95 PolarHBondContact O-N 2.92Å; A93-D438 HydrophobicContact CB-CB 4.34Å; A93-D439 VanDerWaalsContact CB-OD1 3.28Å; A93-D439 WeakPolarHBondContact CB-OD1 3.49Å
94	T	80.4	Confident	82	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.156	C	C	.	.			trans	-57.2	126.3	-173.2	-54.6	0	0	0	0	112.4	G91 I99 V137 D439 A441	G91-T94 PolarHBondContact N-OG1 3.3Å; G91-T94 PolarHBondContact O-N 2.93Å; G91-T94 PolarHBondContact O-OG1 3.44Å; T94-I99 HydrophobicContact CG2-CD1 3.93Å; T94-I99 HydrophobicContact CG2-CG1 4.13Å; T94-V137 HydrophobicContact CG2-CG2 4.4Å; T94-V137 WeakPolarHBondContact O-CG2 3.5Å; T94-V137 PolarHBondContact O-N 3.07Å; T94-D439 PolarHBondContact OG1-O 3.04Å; T94-A441 HydrophobicContact CG2-CB 4.2Å
95	D	87.1	Confident	82.2	Confident	45 Å²	45	33.9 Å²	33.9	24%	0.241	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-98	171.4	176.1	72.1	-7.2	0	0	0	112.9	A93 R97 G98 I99 M135	A93-D95 PolarHBondContact O-N 2.92Å; D95-R97 PolarHBondContact O-N 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 3.4Å; D95-R97 PolarHBondContact OD1-N 2.76Å; D95-R97 WeakPolarHBondContact OD2-CB 3.49Å; D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.24Å; D95-I99 PolarHBondContact O-N 3.08Å; D95-M135 CarbonylContact C-O 3.53Å; D95-M135 VanDerWaalsContact CA-O 3.28Å; D95-M135 WeakPolarHBondContact CA-O 3.49Å
96	V	91.4	Very high	81.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-34.6	176.5	168.9	0	0	0	0	111.5	I99 I100 L117 L131 P133 M135 I140	V96-I99 PolarHBondContact O-N 2.74Å; V96-I100 HydrophobicContact CG1-CD1 3.72Å; V96-I100 HydrophobicContact CG1-CG1 4.3Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.39Å; V96-I100 PolarHBondContact O-N 3.27Å; V96-L117 HydrophobicContact CG1-CB 3.67Å; V96-L117 HydrophobicContact CG1-CD2 3.92Å; V96-L117 HydrophobicContact CG1-CG 4.45Å; V96-L117 HydrophobicContact CG2-CD2 4.28Å; V96-L131 HydrophobicContact CG1-CB 4.36Å; V96-L131 HydrophobicContact CG2-CB 3.99Å; V96-P133 PolarHBondContact N-O 3.08Å; V96-M135 HydrophobicContact CG2-CB 4.33Å; V96-M135 PolarHBondContact N-O 3.29Å; V96-I140 HydrophobicContact CG2-CD1 3.36Å
97	R	90.3	Very high	82	Confident	80 Å²	80	39.4 Å²	39.4	30%	0.302	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-45.9	175.9	-171.5	-174.6	-65.5	-96.8	8	112	D95 I100 Q101 P133 D134 T388	D95-R97 PolarHBondContact O-N 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 3.4Å; D95-R97 PolarHBondContact OD1-N 2.76Å; D95-R97 WeakPolarHBondContact OD2-CB 3.49Å; R97-I100 PolarHBondContact O-N 2.8Å; R97-Q101 WeakPolarHBondContact O-CB 3.49Å; R97-Q101 PolarHBondContact O-N 3.08Å; R97-P133 HydrophobicContact CB-CB 4.02Å; R97-P133 WeakPolarHBondContact CB-O 3.3Å; R97-P133 PolarHBondContact N-O 3.43Å; R97-D134 IonicContact CZ-OD1 2.66Å; R97-D134 IonicContact NE-OD1 3.65Å; R97-D134 PolarHBondContact NE-OD1 2.83Å; R97-D134 IonicContact NH2-OD1 3.65Å; R97-D134 PolarHBondContact NH2-OD1 3.35Å; R97-T388 PolarHBondContact NH1-O 2.04Å; R97-T388 VanDerWaalsContact NH1-O 3.14Å; R97-T388 PolarHBondContact NH2-O 2.98Å
98	G	83.7	Confident	82.4	Confident	28 Å²	28	46 Å²	46	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-43.7	175.7	0	0	0	0	0	112.5	D95 Q101 K102	D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.24Å; G98-Q101 PolarHBondContact O-N 3.29Å; G98-K102 WeakPolarHBondContact O-CB 3.27Å; G98-K102 PolarHBondContact O-N 2.98Å
99	I	87.8	Confident	83.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-48.7	173.9	-63.7	-60.5	0	0	0	111.5	L69 V71 I88 T94 D95 V96 I103 V137	L69-I99 HydrophobicContact CD2-CD1 4.3Å; L69-I99 HydrophobicContact CD2-CG1 4.27Å; L69-I99 HydrophobicContact CD2-CG2 4.11Å; V71-I99 HydrophobicContact CG2-CG2 3.94Å; I88-I99 HydrophobicContact CB-CD1 4.4Å; I88-I99 HydrophobicContact CD1-CG2 3.96Å; I88-I99 HydrophobicContact CG2-CD1 3.71Å; T94-I99 HydrophobicContact CG2-CD1 3.93Å; T94-I99 HydrophobicContact CG2-CG1 4.13Å; D95-I99 PolarHBondContact O-N 3.08Å; V96-I99 PolarHBondContact O-N 2.74Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I99-V137 HydrophobicContact CD1-CG2 4.15Å; I99-V137 HydrophobicContact CG1-CG2 3.51Å
100	I	92.3	Very high	84	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-55.8	177.9	-69.6	167.3	0	0	0	109.9	V96 R97 K102 I103 L104 F115 L117 L157	V96-I100 HydrophobicContact CG1-CD1 3.72Å; V96-I100 HydrophobicContact CG1-CG1 4.3Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.39Å; V96-I100 PolarHBondContact O-N 3.27Å; R97-I100 PolarHBondContact O-N 2.8Å; I100-K102 VanDerWaalsContact C-N 3.28Å; I100-K102 PolarHBondContact O-N 3.46Å; I100-I103 PolarHBondContact O-N 3.48Å; I100-I103 VanDerWaalsContact O-N 3.08Å; I100-L104 HydrophobicContact CG2-CD1 3.59Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.89Å; I100-L104 VanDerWaalsContact O-N 3.14Å; I100-F115 HydrophobicContact CG2-CB 4.08Å; I100-L117 HydrophobicContact CD1-CB 4.16Å; I100-L117 HydrophobicContact CG1-CB 4.32Å; I100-L157 HydrophobicContact CB-CD1 4.37Å; I100-L157 HydrophobicContact CG1-CD1 3.89Å; I100-L157 HydrophobicContact CG2-CD1 4.03Å
101	Q	86.8	Confident	84.7	Confident	70 Å²	70	51.2 Å²	51.2	33%	0.327	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-41.9	-173.7	-170.1	63.3	45.7	0	0	111.7	R97 G98 I103 L104 D105	R97-Q101 WeakPolarHBondContact O-CB 3.49Å; R97-Q101 PolarHBondContact O-N 3.08Å; G98-Q101 PolarHBondContact O-N 3.29Å; Q101-I103 VanDerWaalsContact C-N 3.34Å; Q101-I103 PolarHBondContact O-N 3.3Å; Q101-L104 PolarHBondContact O-N 3.06Å; Q101-L104 VanDerWaalsContact O-N 3.11Å; Q101-D105 PolarHBondContact NE2-OD1 2.73Å; Q101-D105 VanDerWaalsContact O-CG 3.3Å; Q101-D105 PolarHBondContact O-N 3.36Å
102	K	81.3	Confident	85.7	Confident	69 Å²	69	52.8 Å²	52.8	30%	0.3	26%	0.257	S	S	.	.	H	α-helix	trans	-57	-42.7	177.8	-166.7	77.1	-176.7	-158.6	0	113	G98 I100 I106 A441 I443	G98-K102 WeakPolarHBondContact O-CB 3.27Å; G98-K102 PolarHBondContact O-N 2.98Å; I100-K102 VanDerWaalsContact C-N 3.28Å; I100-K102 PolarHBondContact O-N 3.46Å; K102-I106 WeakPolarHBondContact O-CD1 3.5Å; K102-I106 WeakPolarHBondContact O-CG1 3.19Å; K102-A441 WeakPolarHBondContact CD-O 3.49Å; K102-A441 WeakPolarHBondContact CE-O 3.47Å; K102-A441 PolarHBondContact NZ-O 3.32Å; K102-I443 HydrophobicContact CG-CD1 4.14Å; K102-I443 HydrophobicContact CG-CG1 3.84Å
103	I	84.6	Confident	86.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-41.1	178.2	-55.1	163.5	0	0	0	110.2	V71 F75 I88 I99 I100 Q101 N107 L157 I443	V71-I103 HydrophobicContact CB-CD1 4.14Å; V71-I103 HydrophobicContact CG1-CD1 3.77Å; F75-I103 HydrophobicContact CD2-CG2 4.04Å; F75-I103 HydrophobicContact CE2-CG2 3.76Å; I88-I103 HydrophobicContact CD1-CD1 3.62Å; I88-I103 HydrophobicContact CD1-CG1 3.51Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I100-I103 PolarHBondContact O-N 3.48Å; I100-I103 VanDerWaalsContact O-N 3.08Å; Q101-I103 VanDerWaalsContact C-N 3.34Å; Q101-I103 PolarHBondContact O-N 3.3Å; I103-N107 PolarHBondContact O-N 3.21Å; I103-N107 PolarHBondContact O-ND2 3.1Å; I103-L157 HydrophobicContact CB-CD2 4.13Å; I103-L157 HydrophobicContact CD1-CD2 3.97Å; I103-L157 HydrophobicContact CG2-CD2 3.78Å; I103-I443 HydrophobicContact CG1-CD1 4.17Å
104	L	89	Confident	87.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.8	-38.9	-175.8	-61.9	-174.7	0	0	0	112.9	F75 I100 Q101 N107 K108 V109 T112 F115 L157	F75-L104 HydrophobicContact CE2-CD2 4.15Å; F75-L104 HydrophobicContact CZ-CD2 3.8Å; I100-L104 HydrophobicContact CG2-CD1 3.59Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.89Å; I100-L104 VanDerWaalsContact O-N 3.14Å; Q101-L104 PolarHBondContact O-N 3.06Å; Q101-L104 VanDerWaalsContact O-N 3.11Å; L104-N107 CarbonylContact O-C 3.54Å; L104-N107 PolarHBondContact O-N 3.39Å; L104-K108 PolarHBondContact O-N 3.24Å; L104-V109 HydrophobicContact CB-CB 4.16Å; L104-V109 HydrophobicContact CB-CG1 4.49Å; L104-V109 HydrophobicContact CD2-CB 4.31Å; L104-V109 HydrophobicContact CD2-CG1 4.32Å; L104-V109 HydrophobicContact CD2-CG2 4.1Å; L104-V109 PolarHBondContact O-N 3.38Å; L104-V109 VanDerWaalsContact O-N 3.15Å; L104-T112 HydrophobicContact CB-CG2 4.17Å; L104-T112 HydrophobicContact CD1-CG2 3.95Å; L104-F115 HydrophobicContact CD1-CB 4.06Å; L104-F115 HydrophobicContact CD1-CD2 3.8Å; L104-F115 HydrophobicContact CD1-CE2 4.4Å; L104-F115 HydrophobicContact CD1-CG 3.92Å; L104-F115 HydrophobicContact CD2-CD1 3.75Å; L104-F115 HydrophobicContact CD2-CD2 3.97Å; L104-F115 HydrophobicContact CD2-CE1 3.7Å; L104-F115 HydrophobicContact CD2-CE2 3.96Å; L104-F115 HydrophobicContact CD2-CG 3.88Å; L104-F115 HydrophobicContact CD2-CZ 3.81Å; L104-L157 HydrophobicContact CD2-CD2 4.14Å
105	D	81.6	Confident	88.3	Confident	91 Å²	91	50.8 Å²	50.8	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-46.1	178	-73	-25.6	0	0	0	111.9	Q101 N107 K108	Q101-D105 PolarHBondContact NE2-OD1 2.73Å; Q101-D105 VanDerWaalsContact O-CG 3.3Å; Q101-D105 PolarHBondContact O-N 3.36Å; D105-N107 VanDerWaalsContact C-N 3.26Å; D105-N107 PolarHBondContact O-N 3.29Å; D105-K108 PolarHBondContact O-N 2.92Å
106	I	77.9	Confident	88.7	Confident	98 Å²	98	48.7 Å²	48.7	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-38.6	178.2	-71	165.9	0	0	0	110.7	K102 K108 I443	K102-I106 WeakPolarHBondContact O-CD1 3.5Å; K102-I106 WeakPolarHBondContact O-CG1 3.19Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-I443 HydrophobicContact CD1-CB 4.28Å; I106-I443 HydrophobicContact CD1-CD1 3.57Å; I106-I443 HydrophobicContact CD1-CG1 3.81Å
107	N	81.3	Confident	89	Confident	52 Å²	52	48.8 Å²	48.8	28%	0.278	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.1	177.7	-71.2	-80.5	0	0	0	114	F75 I103 L104 D105 V109 P175	F75-N107 HydrophobicContact CD1-CB 3.65Å; F75-N107 VanDerWaalsContact CD1-CG 3.48Å; F75-N107 WeakPolarHBondContact CD1-OD1 3.4Å; F75-N107 HydrophobicContact CD2-CB 4.26Å; F75-N107 WeakPolarHBondContact CD2-ND2 3.13Å; F75-N107 HydrophobicContact CE1-CB 3.44Å; F75-N107 VanDerWaalsContact CE1-CB 3.44Å; F75-N107 HydrophobicContact CE2-CB 4.08Å; F75-N107 HydrophobicContact CG-CB 4.08Å; F75-N107 VanDerWaalsContact CG-CG 3.41Å; F75-N107 VanDerWaalsContact CG-OD1 3.3Å; F75-N107 WeakPolarHBondContact CG-OD1 3.46Å; F75-N107 HydrophobicContact CZ-CB 3.69Å; I103-N107 PolarHBondContact O-N 3.21Å; I103-N107 PolarHBondContact O-ND2 3.1Å; L104-N107 CarbonylContact O-C 3.54Å; L104-N107 PolarHBondContact O-N 3.39Å; D105-N107 VanDerWaalsContact C-N 3.26Å; D105-N107 PolarHBondContact O-N 3.29Å; N107-V109 VanDerWaalsContact C-N 3.29Å; N107-V109 HydrophobicContact CB-CG2 4.5Å; N107-V109 PolarHBondContact O-N 2.84Å; N107-P175 WeakPolarHBondContact O-CG 3.46Å
108	K	87.4	Confident	89.2	Confident	171 Å²	171	46.8 Å²	46.8	74%	0.743	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	37.4	175.8	-52.9	-178.6	-176.7	-177.8	0	113.7	L104 D105 I106	L104-K108 PolarHBondContact O-N 3.24Å; D105-K108 PolarHBondContact O-N 2.92Å; I106-K108 VanDerWaalsContact C-N 3.32Å
109	V	90.5	Very high	89.7	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.085	22%	0.215	C	C	.	.			trans	-65.8	137.5	174.9	160.7	0	0	0	0	110.5	F75 L104 N107 T112 F115 P175	F75-V109 HydrophobicContact CE1-CG2 3.74Å; F75-V109 HydrophobicContact CZ-CG2 3.74Å; L104-V109 HydrophobicContact CB-CB 4.16Å; L104-V109 HydrophobicContact CB-CG1 4.49Å; L104-V109 HydrophobicContact CD2-CB 4.31Å; L104-V109 HydrophobicContact CD2-CG1 4.32Å; L104-V109 HydrophobicContact CD2-CG2 4.1Å; L104-V109 PolarHBondContact O-N 3.38Å; L104-V109 VanDerWaalsContact O-N 3.15Å; N107-V109 VanDerWaalsContact C-N 3.29Å; N107-V109 HydrophobicContact CB-CG2 4.5Å; N107-V109 PolarHBondContact O-N 2.84Å; V109-T112 HydrophobicContact CG1-CG2 4.01Å; V109-F115 HydrophobicContact CG1-CD2 4.48Å; V109-F115 HydrophobicContact CG1-CE2 3.71Å; V109-F115 HydrophobicContact CG1-CZ 4.29Å; V109-F115 HydrophobicContact CG2-CZ 4.34Å; V109-P175 HydrophobicContact CG2-CB 3.95Å
110	R	89.8	Confident	89.7	Confident	157 Å²	157	46.5 Å²	46.5	59%	0.592	22%	0.222	S	C	*	.	S	Bend	trans	-91.4	-40.3	173	-57.7	172.9	63	-154.1	-5.4	111.6	T112 E172 D173	R110-T112 VanDerWaalsContact C-N 3.31Å; R110-T112 PolarHBondContact O-N 2.86Å; R110-T112 VanDerWaalsContact O-N 3.1Å; R110-E172 PolarHBondContact NH1-O 2.89Å; R110-E172 IonicContact NH1-OE2 3.81Å; R110-D173 HydrophobicContact CB-CB 4.24Å; R110-D173 WeakPolarHBondContact CB-OD2 3.38Å; R110-D173 HydrophobicContact CG-CB 4.46Å; R110-D173 PolarHBondContact N-OD1 3.35Å; R110-D173 PolarHBondContact N-OD2 2.96Å
111	W	91	Very high	89.3	Confident	70 Å²	70	46.4 Å²	46.4	27%	0.265	22%	0.222	S	C	.	.			trans	-86.1	57.7	-176.9	-73.5	109.6	0	0	0	113.4	S113 C114 F115 Q169 F170 D173 T176	W111-S113 VanDerWaalsContact C-N 3.34Å; W111-S113 PolarHBondContact O-N 3.4Å; W111-C114 WeakPolarHBondContact O-CB 3.39Å; W111-C114 PolarHBondContact O-N 3.47Å; W111-F115 WeakPolarHBondContact O-CD2 3.4Å; W111-F115 WeakPolarHBondContact O-CE2 3.43Å; W111-Q169 HydrophobicContact CZ2-CB 3.93Å; W111-Q169 HydrophobicContact CZ2-CG 4.42Å; W111-Q169 PolarHBondContact NE1-O 3.02Å; W111-Q169 VanDerWaalsContact NE1-O 3.09Å; W111-F170 HydrophobicContact CB-CE1 4.26Å; W111-F170 AromaticContact CD1-CD1 3.91Å; W111-F170 HydrophobicContact CG-CD1 4.27Å; W111-F170 HydrophobicContact CG-CE1 4.2Å; W111-D173 PolarHBondContact N-OD2 3.09Å; W111-T176 HydrophobicContact CB-CG2 4.24Å
112	T	93.1	Very high	88.4	Confident	44 Å²	44	46.5 Å²	46.5	27%	0.27	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.5	-34.5	-172.6	59.9	0	0	0	0	113.9	L104 V109 R110 C114 F115	L104-T112 HydrophobicContact CB-CG2 4.17Å; L104-T112 HydrophobicContact CD1-CG2 3.95Å; V109-T112 HydrophobicContact CG1-CG2 4.01Å; R110-T112 VanDerWaalsContact C-N 3.31Å; R110-T112 PolarHBondContact O-N 2.86Å; R110-T112 VanDerWaalsContact O-N 3.1Å; T112-C114 PolarHBondContact O-N 2.85Å; T112-C114 VanDerWaalsContact O-N 3.08Å; T112-F115 PolarHBondContact O-N 2.98Å
113	S	93.1	Very high	87.8	Confident	60 Å²	60	49.7 Å²	49.7	42%	0.42	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-65.6	-6.3	177.6	51.3	0	0	0	0	115.1	W111 Y161 L383	W111-S113 VanDerWaalsContact C-N 3.34Å; W111-S113 PolarHBondContact O-N 3.4Å; S113-Y161 WeakPolarHBondContact O-CD2 3.22Å; S113-L383 VanDerWaalsContact OG-CD1 3.32Å; S113-L383 WeakPolarHBondContact OG-CD1 3.37Å
114	C	96.4	Very high	87	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-84.9	-11	178.1	-60.9	0	0	0	0	113.6	W111 T112 I159 R160 Y161	W111-C114 WeakPolarHBondContact O-CB 3.39Å; W111-C114 PolarHBondContact O-N 3.47Å; T112-C114 PolarHBondContact O-N 2.85Å; T112-C114 VanDerWaalsContact O-N 3.08Å; C114-I159 HydrophobicContact CB-CG2 4.31Å; C114-I159 WeakPolarHBondContact O-CA 3.33Å; C114-R160 PolarHBondContact O-N 3.35Å; C114-Y161 VanDerWaalsContact CA-O 3.28Å; C114-Y161 WeakPolarHBondContact CA-O 3.4Å; C114-Y161 WeakPolarHBondContact CB-O 3.33Å; C114-Y161 PolarHBondContact O-N 3.06Å; C114-Y161 PolarHBondContact SG-O 2.68Å
115	F	97.5	Very high	85.5	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.1	-170.7	-68.8	-103.7	0	0	0	113	F75 I100 L104 V109 W111 T112 L157 R158 I159 Y161 T176 Y179	F75-F115 HydrophobicContact CZ-CE1 4.39Å; F75-F115 HydrophobicContact CZ-CZ 4.49Å; I100-F115 HydrophobicContact CG2-CB 4.08Å; L104-F115 HydrophobicContact CD1-CB 4.06Å; L104-F115 HydrophobicContact CD1-CD2 3.8Å; L104-F115 HydrophobicContact CD1-CE2 4.4Å; L104-F115 HydrophobicContact CD1-CG 3.92Å; L104-F115 HydrophobicContact CD2-CD1 3.75Å; L104-F115 HydrophobicContact CD2-CD2 3.97Å; L104-F115 HydrophobicContact CD2-CE1 3.7Å; L104-F115 HydrophobicContact CD2-CE2 3.96Å; L104-F115 HydrophobicContact CD2-CG 3.88Å; L104-F115 HydrophobicContact CD2-CZ 3.81Å; V109-F115 HydrophobicContact CG1-CD2 4.48Å; V109-F115 HydrophobicContact CG1-CE2 3.71Å; V109-F115 HydrophobicContact CG1-CZ 4.29Å; V109-F115 HydrophobicContact CG2-CZ 4.34Å; W111-F115 WeakPolarHBondContact O-CD2 3.4Å; W111-F115 WeakPolarHBondContact O-CE2 3.43Å; T112-F115 PolarHBondContact O-N 2.98Å; F115-L157 HydrophobicContact CB-CD1 4.12Å; F115-L157 HydrophobicContact CD1-CD1 4.04Å; F115-L157 HydrophobicContact CD1-CD2 4.24Å; F115-L157 HydrophobicContact CD1-CG 4Å; F115-R158 CarbonylContact C-O 3.59Å; F115-R158 WeakPolarHBondContact CA-O 3.48Å; F115-I159 HydrophobicContact CD1-CG1 3.82Å; F115-I159 HydrophobicContact CD2-CG1 4.23Å; F115-I159 HydrophobicContact CE1-CD1 4.09Å; F115-I159 HydrophobicContact CE1-CG1 3.51Å; F115-I159 HydrophobicContact CE2-CD1 4.28Å; F115-I159 HydrophobicContact CE2-CG1 3.92Å; F115-I159 HydrophobicContact CG-CG1 4.19Å; F115-I159 HydrophobicContact CZ-CD1 3.78Å; F115-I159 HydrophobicContact CZ-CG1 3.56Å; F115-Y161 WeakPolarHBondContact O-CE2 3.45Å; F115-T176 HydrophobicContact CE2-CG2 4.28Å; F115-T176 HydrophobicContact CZ-CG2 4.38Å; F115-Y179 HydrophobicContact CD1-CE1 4.27Å; F115-Y179 AromaticContact CE1-CD1 3.67Å; F115-Y179 HydrophobicContact CE1-CD1 3.67Å; F115-Y179 HydrophobicContact CE1-CD2 4.06Å; F115-Y179 AromaticContact CE1-CE1 3.71Å; F115-Y179 HydrophobicContact CE1-CE1 3.71Å; F115-Y179 HydrophobicContact CE1-CE2 4.07Å; F115-Y179 AromaticContact CE1-CG 3.85Å; F115-Y179 HydrophobicContact CE1-CG 3.85Å; F115-Y179 AromaticContact CE1-CZ 3.92Å; F115-Y179 HydrophobicContact CZ-CD1 4.3Å; F115-Y179 HydrophobicContact CZ-CG 4.23Å
116	G	97	Very high	84.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165.6	169.9	0	0	0	0	0	111.1	R158	G116-R158 PolarHBondContact N-O 2.9Å; G116-R158 PolarHBondContact O-N 2.72Å; G116-R158 VanDerWaalsContact O-O 3.09Å
117	L	96.9	Very high	84.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.2	179.2	-171.6	66.7	0	0	0	110	V71 V96 I100 L131 Y155	V71-L117 HydrophobicContact CG1-CD1 3.71Å; V96-L117 HydrophobicContact CG1-CB 3.67Å; V96-L117 HydrophobicContact CG1-CD2 3.92Å; V96-L117 HydrophobicContact CG1-CG 4.45Å; V96-L117 HydrophobicContact CG2-CD2 4.28Å; I100-L117 HydrophobicContact CD1-CB 4.16Å; I100-L117 HydrophobicContact CG1-CB 4.32Å; L117-L131 HydrophobicContact CB-CB 4.4Å; L117-L131 HydrophobicContact CD2-CD1 3.81Å; L117-L131 HydrophobicContact CG-CD1 4.05Å; L117-L131 PolarHBondContact O-N 2.99Å; L117-Y155 HydrophobicContact CD2-CD1 4.31Å
118	R	95	Very high	84.4	Confident	38 Å²	38	62 Å²	62	14%	0.143	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134	177.6	-175.5	172	76	175.9	2.6	110.5	L128 W130 Y155 E156	R118-L128 HydrophobicContact CG-CD2 4.17Å; R118-L128 HydrophobicContact CG-CG 4.16Å; R118-W130 HydrophobicContact CB-CD2 4.19Å; R118-W130 HydrophobicContact CB-CE3 3.88Å; R118-W130 HydrophobicContact CB-CH2 4.29Å; R118-W130 HydrophobicContact CB-CZ3 3.94Å; R118-W130 HydrophobicContact CG-CD2 4.41Å; R118-Y155 CarbonylContact O-C 3.46Å; R118-Y155 WeakPolarHBondContact O-CA 3.36Å; R118-E156 HydrophobicContact CB-CB 4.49Å; R118-E156 WeakPolarHBondContact CB-O 3.5Å; R118-E156 IonicContact CZ-OE1 3.63Å; R118-E156 IonicContact CZ-OE2 3.97Å; R118-E156 PolarHBondContact N-O 2.94Å; R118-E156 IonicContact NE-OE2 3.32Å; R118-E156 IonicContact NH2-OE1 3.78Å; R118-E156 PolarHBondContact NH2-OE1 2.85Å; R118-E156 IonicContact NH2-OE2 2.66Å; R118-E156 PolarHBondContact NH2-OE2 3.19Å; R118-E156 PolarHBondContact O-N 3.26Å
119	L	93.1	Very high	84.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.1	167.7	-176.9	59.7	0	0	0	109.3	H129 L131 I140 Y144 W153 R154 Y155	L119-H129 HydrophobicContact CB-CB 4.39Å; L119-H129 PolarHBondContact N-O 3.4Å; L119-H129 PolarHBondContact O-N 3.26Å; L119-L131 HydrophobicContact CB-CD1 3.9Å; L119-L131 HydrophobicContact CB-CD2 4.1Å; L119-L131 HydrophobicContact CB-CG 3.96Å; L119-L131 HydrophobicContact CD2-CD2 4.15Å; L119-I140 HydrophobicContact CD2-CG2 4.21Å; L119-Y144 HydrophobicContact CD2-CD1 4.08Å; L119-Y144 HydrophobicContact CD2-CD2 3.54Å; L119-Y144 HydrophobicContact CD2-CE1 4.47Å; L119-Y144 HydrophobicContact CD2-CE2 3.99Å; L119-Y144 HydrophobicContact CD2-CG 3.59Å; L119-W153 HydrophobicContact CD1-CB 4Å; L119-W153 HydrophobicContact CD1-CD2 4.33Å; L119-W153 HydrophobicContact CD1-CE3 3.8Å; L119-W153 HydrophobicContact CD1-CG 4.46Å; L119-W153 HydrophobicContact CD2-CE3 4.08Å; L119-W153 HydrophobicContact CD2-CZ3 4.32Å; L119-W153 HydrophobicContact CG-CD2 4.49Å; L119-W153 HydrophobicContact CG-CE3 3.66Å; L119-W153 HydrophobicContact CG-CZ3 4.05Å; L119-R154 WeakPolarHBondContact CA-O 3.36Å; L119-Y155 HydrophobicContact CD1-CD1 3.92Å; L119-Y155 HydrophobicContact CD1-CD2 4.25Å; L119-Y155 HydrophobicContact CD1-CE1 3.75Å; L119-Y155 HydrophobicContact CD1-CE2 4.08Å; L119-Y155 HydrophobicContact CD1-CG 4.17Å
120	S	89.1	Confident	84.8	Confident	23 Å²	23	55.1 Å²	55.1	16%	0.161	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.6	-179.5	51.3	0	0	0	0	111.8	R154	S120-R154 PolarHBondContact N-O 3.09Å; S120-R154 PolarHBondContact O-N 3.37Å; S120-R154 PolarHBondContact OG-O 3.24Å
121	N	83.1	Confident	85.1	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.7	177.1	176.1	-47.6	0	0	0	110	Q123 S124 Q127 E151 W153	N121-Q123 VanDerWaalsContact C-N 3.28Å; N121-Q123 PolarHBondContact O-N 2.96Å; N121-Q123 WeakPolarHBondContact OD1-CA 3.5Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.42Å; N121-Q123 PolarHBondContact OD1-N 2.98Å; N121-S124 PolarHBondContact O-N 3.3Å; N121-S124 PolarHBondContact OD1-N 3.33Å; N121-S124 VanDerWaalsContact OD1-N 3.12Å; N121-Q127 HydrophobicContact CB-CB 4.04Å; N121-Q127 PolarHBondContact N-O 2.93Å; N121-E151 WeakPolarHBondContact ND2-CB 3.37Å; N121-E151 WeakPolarHBondContact ND2-CG 3.44Å; N121-E151 PolarHBondContact ND2-OE2 2.97Å; N121-W153 HydrophobicContact CB-CE3 4.07Å; N121-W153 HydrophobicContact CB-CH2 4.19Å; N121-W153 HydrophobicContact CB-CZ3 3.83Å
122	S	67.7	Low	85.2	Confident	72 Å²	72	45.5 Å²	45.5	50%	0.503	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.9	-175.7	73.3	0	0	0	0	114.2	E152	S122-E152 WeakPolarHBondContact CB-OE2 3.49Å; S122-E152 PolarHBondContact N-O 3.19Å; S122-E152 PolarHBondContact OG-OE2 2.74Å
123	Q	68.2	Low	85.1	Confident	136 Å²	136	44 Å²	44	64%	0.636	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.8	-177.2	-53.5	171.4	23.3	0	0	112.6	N121 N150	N121-Q123 VanDerWaalsContact C-N 3.28Å; N121-Q123 PolarHBondContact O-N 2.96Å; N121-Q123 WeakPolarHBondContact OD1-CA 3.5Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.42Å; N121-Q123 PolarHBondContact OD1-N 2.98Å; Q123-N150 PolarHBondContact NE2-O 3.14Å
124	S	68.8	Low	85	Confident	35 Å²	35	42.6 Å²	42.6	25%	0.245	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	98.1	-172.1	-170.8	0	0	0	0	112.1	N121 D126 Q127	N121-S124 PolarHBondContact O-N 3.3Å; N121-S124 PolarHBondContact OD1-N 3.33Å; N121-S124 VanDerWaalsContact OD1-N 3.12Å; S124-D126 PolarHBondContact O-N 3.32Å; S124-D126 VanDerWaalsContact O-N 3.15Å; S124-Q127 PolarHBondContact O-N 3.48Å
125	R	57.5	Low	84.6	Confident	215 Å²	215	44.2 Å²	44.2	81%	0.811	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	-25.5	179.7	-74.6	-171.9	173.8	-159.4	-3	114.2	Q127	R125-Q127 VanDerWaalsContact C-N 3.3Å
126	D	57.6	Low	84.3	Confident	153 Å²	153	44.3 Å²	44.3	82%	0.818	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	-10.8	179.5	-56.5	-47.7	0	0	0	113	S124 L128	S124-D126 PolarHBondContact O-N 3.32Å; S124-D126 VanDerWaalsContact O-N 3.15Å; D126-L128 PolarHBondContact O-N 3.03Å
127	Q	71.3	Confident	83.8	Confident	49 Å²	49	44.4 Å²	44.4	23%	0.229	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	77.6	176.6	-66.2	-163.7	93.4	0	0	110.9	N121 S124 R125	N121-Q127 HydrophobicContact CB-CB 4.04Å; N121-Q127 PolarHBondContact N-O 2.93Å; S124-Q127 PolarHBondContact O-N 3.48Å; R125-Q127 VanDerWaalsContact C-N 3.3Å
128	L	87.4	Confident	83.2	Confident	46 Å²	46	45.5 Å²	45.5	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	178.3	-172.5	159.4	0	0	0	109.2	R118 D126 T368 N372	R118-L128 HydrophobicContact CG-CD2 4.17Å; R118-L128 HydrophobicContact CG-CG 4.16Å; D126-L128 PolarHBondContact O-N 3.03Å; L128-T368 WeakPolarHBondContact O-CG2 3.03Å; L128-N372 PolarHBondContact O-ND2 2.76Å
129	H	91.9	Very high	82.7	Confident	15 Å²	15	45.4 Å²	45.4	7%	0.069	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.5	174.3	-64.6	-89.8	0	0	0	109.5	L119 Y144 T368 E371 N372	L119-H129 HydrophobicContact CB-CB 4.39Å; L119-H129 PolarHBondContact N-O 3.4Å; L119-H129 PolarHBondContact O-N 3.26Å; H129-Y144 AromaticContact CD2-CE1 3.54Å; H129-Y144 AromaticContact CD2-CZ 3.99Å; H129-Y144 AromaticContact CE1-CE1 3.89Å; H129-Y144 PolarHBondContact CE1-OH 3.42Å; H129-Y144 AromaticContact CG-CE1 3.95Å; H129-Y144 AromaticContact CG-CZ 3.91Å; H129-Y144 AromaticContact ND1-CZ 3.99Å; H129-Y144 PolarHBondContact ND1-OH 3.06Å; H129-Y144 VanDerWaalsContact ND1-OH 3.15Å; H129-Y144 AromaticContact NE2-CE1 3.51Å; H129-T368 WeakPolarHBondContact CE1-CG2 3.32Å; H129-T368 PolarHBondContact CE1-OG1 2.84Å; H129-T368 WeakPolarHBondContact ND1-CG2 3.49Å; H129-E371 IonicContact ND1-OE2 3.47Å; H129-N372 WeakPolarHBondContact CA-OD1 3.34Å
130	W	95.5	Very high	82.5	Confident	26 Å²	26	45.5 Å²	45.5	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	161.8	-72.4	96	0	0	0	108.8	R118 R158 R160 N372 D375	R118-W130 HydrophobicContact CB-CD2 4.19Å; R118-W130 HydrophobicContact CB-CE3 3.88Å; R118-W130 HydrophobicContact CB-CH2 4.29Å; R118-W130 HydrophobicContact CB-CZ3 3.94Å; R118-W130 HydrophobicContact CG-CD2 4.41Å; W130-R158 HydrophobicContact CH2-CB 3.65Å; W130-R158 HydrophobicContact CH2-CG 4.35Å; W130-R158 HydrophobicContact CZ3-CB 3.95Å; W130-R160 HydrophobicContact CH2-CB 3.83Å; W130-R160 HydrophobicContact CH2-CG 3.78Å; W130-R160 HydrophobicContact CZ2-CB 4.44Å; W130-R160 HydrophobicContact CZ2-CG 3.88Å; W130-R160 HydrophobicContact CZ3-CB 4.02Å; W130-R160 HydrophobicContact CZ3-CG 4.18Å; W130-R160 VanDerWaalsContact NE1-CZ 3.35Å; W130-N372 PolarHBondContact N-OD1 2.93Å; W130-D375 WeakPolarHBondContact CB-OD2 3.49Å
131	L	95.3	Very high	82.3	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.8	-175.7	-59.6	174.2	0	0	0	108.2	V96 L117 L119 I140 Y144 Y155	V96-L131 HydrophobicContact CG1-CB 4.36Å; V96-L131 HydrophobicContact CG2-CB 3.99Å; L117-L131 HydrophobicContact CB-CB 4.4Å; L117-L131 HydrophobicContact CD2-CD1 3.81Å; L117-L131 HydrophobicContact CG-CD1 4.05Å; L117-L131 PolarHBondContact O-N 2.99Å; L119-L131 HydrophobicContact CB-CD1 3.9Å; L119-L131 HydrophobicContact CB-CD2 4.1Å; L119-L131 HydrophobicContact CB-CG 3.96Å; L119-L131 HydrophobicContact CD2-CD2 4.15Å; L131-I140 HydrophobicContact CB-CD1 4.42Å; L131-I140 HydrophobicContact CD1-CD1 4.17Å; L131-I140 HydrophobicContact CD1-CG2 4.04Å; L131-I140 HydrophobicContact CD2-CD1 4.15Å; L131-I140 HydrophobicContact CD2-CG1 4.32Å; L131-I140 HydrophobicContact CD2-CG2 3.86Å; L131-I140 HydrophobicContact CG-CD1 4.48Å; L131-Y144 HydrophobicContact CD2-CE2 4.46Å; L131-Y155 HydrophobicContact CD1-CD1 3.85Å; L131-Y155 HydrophobicContact CD1-CE1 3.88Å
132	H	94.1	Very high	82.4	Confident	24 Å²	24	50.7 Å²	50.7	11%	0.111	25%	0.25	C	S	.	.			trans	-64.2	139.7	-178.5	-176.4	-91.2	0	0	0	110.6	D134 M135 D375 D378 R382 S390	H132-D134 VanDerWaalsContact CE1-CB 3.45Å; H132-D134 WeakPolarHBondContact CE1-CB 3.36Å; H132-D134 IonicContact CE1-OD1 3.53Å; H132-D134 IonicContact CE1-OD2 3.87Å; H132-D134 PolarHBondContact CE1-OD2 3.38Å; H132-D134 PolarHBondContact ND1-N 3.01Å; H132-D134 IonicContact ND1-OD2 2.72Å; H132-D134 PolarHBondContact O-N 3.47Å; H132-D134 VanDerWaalsContact O-N 3.08Å; H132-M135 HydrophobicContact CB-CG 4.04Å; H132-M135 HydrophobicContact CB-SD 3.97Å; H132-M135 WeakPolarHBondContact O-CB 3.2Å; H132-M135 WeakPolarHBondContact O-CG 3.41Å; H132-M135 PolarHBondContact O-N 2.97Å; H132-M135 VanDerWaalsContact O-N 3.14Å; H132-D375 IonicContact CD2-OD1 3.53Å; H132-D378 IonicContact CD2-OD2 3.86Å; H132-D378 IonicContact NE2-OD1 3.39Å; H132-D378 CovalentContact NE2-OD2 1.77Å; H132-D378 IonicContact NE2-OD2 2.67Å; H132-D378 PolarHBondContact NE2-OD2 3.29Å; H132-R382 PolarHBondContact NE2-NH1 3.06Å; H132-S390 WeakPolarHBondContact CE1-CB 3.48Å; H132-S390 PolarHBondContact CE1-OG 2.86Å; H132-S390 WeakPolarHBondContact NE2-CB 3.42Å; H132-S390 PolarHBondContact NE2-OG 2.83Å
133	P	91.1	Very high	83.2	Confident	11 Å²	11	51 Å²	51	7%	0.071	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.9	-174	-31.2	37	0	0	0	115.6	V96 R97 M135	V96-P133 PolarHBondContact N-O 3.08Å; R97-P133 HydrophobicContact CB-CB 4.02Å; R97-P133 WeakPolarHBondContact CB-O 3.3Å; R97-P133 PolarHBondContact N-O 3.43Å; P133-M135 VanDerWaalsContact C-N 3.28Å; P133-M135 PolarHBondContact O-N 3.28Å
134	D	89.9	Confident	83.9	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.171	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	10.4	-173.5	-52.6	-18.7	0	0	0	113.3	R97 H132 I406	R97-D134 IonicContact CZ-OD1 2.66Å; R97-D134 IonicContact NE-OD1 3.65Å; R97-D134 PolarHBondContact NE-OD1 2.83Å; R97-D134 IonicContact NH2-OD1 3.65Å; R97-D134 PolarHBondContact NH2-OD1 3.35Å; H132-D134 VanDerWaalsContact CE1-CB 3.45Å; H132-D134 WeakPolarHBondContact CE1-CB 3.36Å; H132-D134 IonicContact CE1-OD1 3.53Å; H132-D134 IonicContact CE1-OD2 3.87Å; H132-D134 PolarHBondContact CE1-OD2 3.38Å; H132-D134 PolarHBondContact ND1-N 3.01Å; H132-D134 IonicContact ND1-OD2 2.72Å; H132-D134 PolarHBondContact O-N 3.47Å; H132-D134 VanDerWaalsContact O-N 3.08Å; D134-I406 VanDerWaalsContact O-CD1 3.29Å; D134-I406 WeakPolarHBondContact O-CD1 3.49Å; D134-I406 WeakPolarHBondContact O-CG1 3.42Å
135	M	89.3	Confident	84.4	Confident	33 Å²	33	45.4 Å²	45.4	16%	0.163	21%	0.212	C	C	.	.	S	Bend	trans	-87.8	130.5	178.7	-66.7	179.2	69.9	0	0	111.7	D95 V96 H132 P133 I140	D95-M135 CarbonylContact C-O 3.53Å; D95-M135 VanDerWaalsContact CA-O 3.28Å; D95-M135 WeakPolarHBondContact CA-O 3.49Å; V96-M135 HydrophobicContact CG2-CB 4.33Å; V96-M135 PolarHBondContact N-O 3.29Å; H132-M135 HydrophobicContact CB-CG 4.04Å; H132-M135 HydrophobicContact CB-SD 3.97Å; H132-M135 WeakPolarHBondContact O-CB 3.2Å; H132-M135 WeakPolarHBondContact O-CG 3.41Å; H132-M135 PolarHBondContact O-N 2.97Å; H132-M135 VanDerWaalsContact O-N 3.14Å; P133-M135 VanDerWaalsContact C-N 3.28Å; P133-M135 PolarHBondContact O-N 3.28Å; M135-I140 HydrophobicContact CB-CD1 3.84Å; M135-I140 HydrophobicContact CB-CG1 4.28Å; M135-I140 HydrophobicContact CE-CD1 4.43Å; M135-I140 HydrophobicContact CE-CG1 3.93Å
136	G	89.7	Confident	85.3	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-67.4	132.6	175.2	0	0	0	0	0	113.1	S138 H139 I140 S405	G136-S138 PolarHBondContact O-N 3.3Å; G136-H139 PolarHBondContact O-N 3.1Å; G136-I140 WeakPolarHBondContact O-CG1 3.47Å; G136-I140 PolarHBondContact O-N 3.41Å; G136-S405 PolarHBondContact N-O 3.31Å
137	V	87.2	Confident	85.9	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-45.2	-174.7	176.3	0	0	0	0	111.9	L69 Y90 T94 I99 H139 I140 R141	L69-V137 HydrophobicContact CD1-CG1 4.49Å; L69-V137 HydrophobicContact CD2-CG1 4.05Å; Y90-V137 HydrophobicContact CD1-CG1 4.22Å; Y90-V137 HydrophobicContact CD2-CB 3.94Å; Y90-V137 HydrophobicContact CD2-CG1 3.77Å; Y90-V137 HydrophobicContact CE1-CG1 4.11Å; Y90-V137 HydrophobicContact CE2-CB 4.09Å; Y90-V137 HydrophobicContact CE2-CG1 3.68Å; Y90-V137 HydrophobicContact CG-CG1 4.1Å; T94-V137 HydrophobicContact CG2-CG2 4.4Å; T94-V137 WeakPolarHBondContact O-CG2 3.5Å; T94-V137 PolarHBondContact O-N 3.07Å; I99-V137 HydrophobicContact CD1-CG2 4.15Å; I99-V137 HydrophobicContact CG1-CG2 3.51Å; V137-H139 VanDerWaalsContact C-N 3.26Å; V137-H139 PolarHBondContact O-N 3.28Å; V137-I140 WeakPolarHBondContact O-CB 3.39Å; V137-I140 PolarHBondContact O-N 2.9Å; V137-I140 VanDerWaalsContact O-N 3.07Å; V137-R141 PolarHBondContact O-N 3.05Å; V137-R141 VanDerWaalsContact O-N 3.11Å
138	S	84.8	Confident	86.1	Confident	25 Å²	25	39.6 Å²	39.6	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-54.1	-43.8	176.9	-64.4	0	0	0	0	111.9	G136 I140 R141 E142	G136-S138 PolarHBondContact O-N 3.3Å; S138-I140 PolarHBondContact O-N 2.94Å; S138-R141 PolarHBondContact O-N 3.06Å; S138-E142 WeakPolarHBondContact O-CG 3.49Å; S138-E142 PolarHBondContact O-N 3.06Å
139	H	84.6	Confident	85.1	Confident	36 Å²	36	42.6 Å²	42.6	17%	0.167	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-31	179.2	-175.8	62.3	0	0	0	113.6	G136 V137 E142 K143 S405	G136-H139 PolarHBondContact O-N 3.1Å; V137-H139 VanDerWaalsContact C-N 3.26Å; V137-H139 PolarHBondContact O-N 3.28Å; H139-E142 IonicContact ND1-OE2 3.9Å; H139-E142 PolarHBondContact ND1-OE2 3.12Å; H139-E142 PolarHBondContact O-N 3.32Å; H139-K143 VanDerWaalsContact O-CB 3.27Å; H139-K143 WeakPolarHBondContact O-CB 3.32Å; H139-K143 PolarHBondContact O-N 3.25Å; H139-S405 WeakPolarHBondContact CD2-CB 3.49Å; H139-S405 PolarHBondContact CD2-OG 2.89Å; H139-S405 PolarHBondContact NE2-OG 2.65Å
140	I	88.4	Confident	84.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-44.3	173.2	-64.9	163.3	0	0	0	109.6	V96 L119 L131 M135 G136 V137 S138 E142 K143 Y144 Y155	V96-I140 HydrophobicContact CG2-CD1 3.36Å; L119-I140 HydrophobicContact CD2-CG2 4.21Å; L131-I140 HydrophobicContact CB-CD1 4.42Å; L131-I140 HydrophobicContact CD1-CD1 4.17Å; L131-I140 HydrophobicContact CD1-CG2 4.04Å; L131-I140 HydrophobicContact CD2-CD1 4.15Å; L131-I140 HydrophobicContact CD2-CG1 4.32Å; L131-I140 HydrophobicContact CD2-CG2 3.86Å; L131-I140 HydrophobicContact CG-CD1 4.48Å; M135-I140 HydrophobicContact CB-CD1 3.84Å; M135-I140 HydrophobicContact CB-CG1 4.28Å; M135-I140 HydrophobicContact CE-CD1 4.43Å; M135-I140 HydrophobicContact CE-CG1 3.93Å; G136-I140 WeakPolarHBondContact O-CG1 3.47Å; G136-I140 PolarHBondContact O-N 3.41Å; V137-I140 WeakPolarHBondContact O-CB 3.39Å; V137-I140 PolarHBondContact O-N 2.9Å; V137-I140 VanDerWaalsContact O-N 3.07Å; S138-I140 PolarHBondContact O-N 2.94Å; I140-E142 PolarHBondContact O-N 3.31Å; I140-K143 PolarHBondContact O-N 3.1Å; I140-Y144 HydrophobicContact CG2-CD2 3.9Å; I140-Y144 HydrophobicContact CG2-CE2 4.36Å; I140-Y144 WeakPolarHBondContact O-CD2 3.49Å; I140-Y144 PolarHBondContact O-N 3.44Å; I140-Y155 HydrophobicContact CG2-CE1 3.93Å
141	R	85.8	Confident	83.1	Confident	45 Å²	45	49.9 Å²	49.9	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-39.4	176.9	-58.1	-169.8	70.3	-156.4	-7.2	112.1	D66 Y90 V137 S138 E145 Q146	D66-R141 PolarHBondContact O-NH1 3.48Å; Y90-R141 WeakPolarHBondContact OH-CD 3.46Å; Y90-R141 PolarHBondContact OH-NH1 2.84Å; V137-R141 PolarHBondContact O-N 3.05Å; V137-R141 VanDerWaalsContact O-N 3.11Å; S138-R141 PolarHBondContact O-N 3.06Å; R141-E145 WeakPolarHBondContact CG-OE1 3.36Å; R141-E145 IonicContact CZ-OE2 3.62Å; R141-E145 VanDerWaalsContact CZ-OE2 3.25Å; R141-E145 IonicContact NE-OE1 3.48Å; R141-E145 PolarHBondContact NE-OE1 2.92Å; R141-E145 IonicContact NE-OE2 3.51Å; R141-E145 PolarHBondContact NE-OE2 3.13Å; R141-E145 IonicContact NH2-OE2 2.78Å; R141-E145 PolarHBondContact NH2-OE2 3.42Å; R141-E145 WeakPolarHBondContact O-CA 3.42Å; R141-E145 WeakPolarHBondContact O-CB 3.5Å; R141-E145 PolarHBondContact O-N 3.45Å; R141-Q146 PolarHBondContact O-N 3.38Å
142	E	84.8	Confident	82.3	Confident	95 Å²	95	56 Å²	56	44%	0.444	29%	0.287	S	S	.	.	I	π-helix	trans	-57.6	-51.8	170.1	-70.6	171.1	172.3	0	0	112.1	S138 H139 I140 Y144 A147	S138-E142 WeakPolarHBondContact O-CG 3.49Å; S138-E142 PolarHBondContact O-N 3.06Å; H139-E142 IonicContact ND1-OE2 3.9Å; H139-E142 PolarHBondContact ND1-OE2 3.12Å; H139-E142 PolarHBondContact O-N 3.32Å; I140-E142 PolarHBondContact O-N 3.31Å; E142-Y144 PolarHBondContact O-N 3.46Å; E142-A147 PolarHBondContact O-N 3.16Å
143	K	83.9	Confident	81.8	Confident	79 Å²	79	56.2 Å²	56.2	34%	0.343	29%	0.288	S	S	.	.	I	π-helix	trans	-65.5	-33.8	-174.3	-176.6	-178.9	175.2	-160.5	0	113.4	H139 I140 A147 E371	H139-K143 VanDerWaalsContact O-CB 3.27Å; H139-K143 WeakPolarHBondContact O-CB 3.32Å; H139-K143 PolarHBondContact O-N 3.25Å; I140-K143 PolarHBondContact O-N 3.1Å; K143-A147 WeakPolarHBondContact O-CB 3.49Å; K143-E371 IonicContact NZ-OE1 2.67Å
144	Y	83.3	Confident	81.7	Confident	12 Å²	12	59.9 Å²	59.9	5%	0.047	30%	0.3	C	S	.	.	I	π-helix	trans	-114.6	-50.5	-171.7	-65.2	-77.5	0	0	0	114.2	L119 H129 L131 I140 E142 W153	L119-Y144 HydrophobicContact CD2-CD1 4.08Å; L119-Y144 HydrophobicContact CD2-CD2 3.54Å; L119-Y144 HydrophobicContact CD2-CE1 4.47Å; L119-Y144 HydrophobicContact CD2-CE2 3.99Å; L119-Y144 HydrophobicContact CD2-CG 3.59Å; H129-Y144 AromaticContact CD2-CE1 3.54Å; H129-Y144 AromaticContact CD2-CZ 3.99Å; H129-Y144 AromaticContact CE1-CE1 3.89Å; H129-Y144 PolarHBondContact CE1-OH 3.42Å; H129-Y144 AromaticContact CG-CE1 3.95Å; H129-Y144 AromaticContact CG-CZ 3.91Å; H129-Y144 AromaticContact ND1-CZ 3.99Å; H129-Y144 PolarHBondContact ND1-OH 3.06Å; H129-Y144 VanDerWaalsContact ND1-OH 3.15Å; H129-Y144 AromaticContact NE2-CE1 3.51Å; L131-Y144 HydrophobicContact CD2-CE2 4.46Å; I140-Y144 HydrophobicContact CG2-CD2 3.9Å; I140-Y144 HydrophobicContact CG2-CE2 4.36Å; I140-Y144 WeakPolarHBondContact O-CD2 3.49Å; I140-Y144 PolarHBondContact O-N 3.44Å; E142-Y144 PolarHBondContact O-N 3.46Å; Y144-W153 AromaticContact CD1-CH2 3.78Å; Y144-W153 HydrophobicContact CD1-CH2 3.78Å; Y144-W153 AromaticContact CD1-CZ2 3.9Å; Y144-W153 HydrophobicContact CD1-CZ2 3.9Å; Y144-W153 HydrophobicContact CD1-CZ3 4.32Å; Y144-W153 HydrophobicContact CE1-CH2 4.48Å; Y144-W153 HydrophobicContact CG-CZ2 4.48Å; Y144-W153 PolarHBondContact O-NE1 3.09Å
145	E	78.9	Confident	81.8	Confident	42 Å²	42	58.8 Å²	58.8	20%	0.196	29%	0.294	C	S	.	.	I	π-helix	trans	-77.6	-57.4	-177.6	-65.3	167.1	-143.8	0	0	111.5	R141 A147 R148 P149 W153 Y155	R141-E145 WeakPolarHBondContact CG-OE1 3.36Å; R141-E145 IonicContact CZ-OE2 3.62Å; R141-E145 VanDerWaalsContact CZ-OE2 3.25Å; R141-E145 IonicContact NE-OE1 3.48Å; R141-E145 PolarHBondContact NE-OE1 2.92Å; R141-E145 IonicContact NE-OE2 3.51Å; R141-E145 PolarHBondContact NE-OE2 3.13Å; R141-E145 IonicContact NH2-OE2 2.78Å; R141-E145 PolarHBondContact NH2-OE2 3.42Å; R141-E145 WeakPolarHBondContact O-CA 3.42Å; R141-E145 WeakPolarHBondContact O-CB 3.5Å; R141-E145 PolarHBondContact O-N 3.45Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.04Å; E145-R148 CarbonylContact O-C 3.42Å; E145-R148 PolarHBondContact O-N 2.88Å; E145-P149 VanDerWaalsContact O-N 3.16Å; E145-W153 HydrophobicContact CG-CB 4.49Å; E145-W153 HydrophobicContact CG-CG 4.5Å; E145-Y155 VanDerWaalsContact OE1-CE2 3.23Å; E145-Y155 WeakPolarHBondContact OE1-CE2 3.46Å; E145-Y155 PolarHBondContact OE1-OH 3.11Å
146	Q	77.3	Confident	82.1	Confident	137 Å²	137	57.5 Å²	57.5	64%	0.64	29%	0.287	S	S	*	.	I	π-helix	trans	-67.3	-33.9	-174.4	-59.9	-178.7	15.7	0	0	112.3	R141 R148	R141-Q146 PolarHBondContact O-N 3.38Å; Q146-R148 PolarHBondContact O-N 2.92Å
147	A	69.5	Low	82.4	Confident	68 Å²	68	57.1 Å²	57.1	56%	0.562	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.2	173.6	0	0	0	0	0	113.5	E142 K143 E145	E142-A147 PolarHBondContact O-N 3.16Å; K143-A147 WeakPolarHBondContact O-CB 3.49Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.04Å
148	R	74.6	Confident	82.9	Confident	90 Å²	90	57.6 Å²	57.6	34%	0.34	28%	0.284	S	S	.	.			trans	-147.4	65.6	-174.5	-52.7	-170.1	-166.6	175.7	4	112.7	E145 Q146 N150 E151	E145-R148 CarbonylContact O-C 3.42Å; E145-R148 PolarHBondContact O-N 2.88Å; Q146-R148 PolarHBondContact O-N 2.92Å; R148-N150 PolarHBondContact O-N 3.39Å; R148-E151 HydrophobicContact CB-CB 4.16Å; R148-E151 HydrophobicContact CB-CG 4.23Å; R148-E151 WeakPolarHBondContact CD-OE1 3.4Å; R148-E151 WeakPolarHBondContact CD-OE2 3.35Å; R148-E151 IonicContact CZ-OE1 3.54Å; R148-E151 IonicContact CZ-OE2 2.86Å; R148-E151 IonicContact NE-OE2 2.76Å; R148-E151 VanDerWaalsContact NH1-CD 3.32Å; R148-E151 IonicContact NH1-OE1 4Å; R148-E151 PolarHBondContact NH1-OE1 2.86Å; R148-E151 IonicContact NH1-OE2 3.45Å; R148-E151 PolarHBondContact NH1-OE2 2.75Å; R148-E151 PolarHBondContact O-N 2.75Å
149	P	68.1	Low	83.5	Confident	109 Å²	109	56.7 Å²	56.7	71%	0.708	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.2	-174.1	27.8	-37	0	0	0	115.2	E145	E145-P149 VanDerWaalsContact O-N 3.16Å
150	N	69.7	Low	84.1	Confident	146 Å²	146	55.5 Å²	55.5	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.4	174.5	-60.6	-12.7	0	0	0	113	Q123 R148	Q123-N150 PolarHBondContact NE2-O 3.14Å; R148-N150 PolarHBondContact O-N 3.39Å
151	E	75	Confident	84.5	Confident	48 Å²	48	55.6 Å²	55.6	22%	0.224	27%	0.272	C	S	.	.	S	Bend	trans	-97.2	126.1	177.4	-73.6	-174.8	-166.4	0	0	110	N121 R148 W153	N121-E151 WeakPolarHBondContact ND2-CB 3.37Å; N121-E151 WeakPolarHBondContact ND2-CG 3.44Å; N121-E151 PolarHBondContact ND2-OE2 2.97Å; R148-E151 HydrophobicContact CB-CB 4.16Å; R148-E151 HydrophobicContact CB-CG 4.23Å; R148-E151 WeakPolarHBondContact CD-OE1 3.4Å; R148-E151 WeakPolarHBondContact CD-OE2 3.35Å; R148-E151 IonicContact CZ-OE1 3.54Å; R148-E151 IonicContact CZ-OE2 2.86Å; R148-E151 IonicContact NE-OE2 2.76Å; R148-E151 VanDerWaalsContact NH1-CD 3.32Å; R148-E151 IonicContact NH1-OE1 4Å; R148-E151 PolarHBondContact NH1-OE1 2.86Å; R148-E151 IonicContact NH1-OE2 3.45Å; R148-E151 PolarHBondContact NH1-OE2 2.75Å; R148-E151 PolarHBondContact O-N 2.75Å; E151-W153 VanDerWaalsContact O-CD1 3.26Å; E151-W153 WeakPolarHBondContact OE2-CZ2 3.48Å
152	E	77.9	Confident	85.1	Confident	129 Å²	129	53.8 Å²	53.8	60%	0.603	27%	0.265	S	S	*	.			trans	-87.7	114.2	178.7	179.4	-172.5	-129.2	0	0	109.8	S122	S122-E152 WeakPolarHBondContact CB-OE2 3.49Å; S122-E152 PolarHBondContact N-O 3.19Å; S122-E152 PolarHBondContact OG-OE2 2.74Å
153	W	84.9	Confident	85.5	Confident	30 Å²	30	49.8 Å²	49.8	11%	0.114	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137	-174	-70.7	104.6	0	0	0	112.4	L119 N121 Y144 E145 E151	L119-W153 HydrophobicContact CD1-CB 4Å; L119-W153 HydrophobicContact CD1-CD2 4.33Å; L119-W153 HydrophobicContact CD1-CE3 3.8Å; L119-W153 HydrophobicContact CD1-CG 4.46Å; L119-W153 HydrophobicContact CD2-CE3 4.08Å; L119-W153 HydrophobicContact CD2-CZ3 4.32Å; L119-W153 HydrophobicContact CG-CD2 4.49Å; L119-W153 HydrophobicContact CG-CE3 3.66Å; L119-W153 HydrophobicContact CG-CZ3 4.05Å; N121-W153 HydrophobicContact CB-CE3 4.07Å; N121-W153 HydrophobicContact CB-CH2 4.19Å; N121-W153 HydrophobicContact CB-CZ3 3.83Å; Y144-W153 AromaticContact CD1-CH2 3.78Å; Y144-W153 HydrophobicContact CD1-CH2 3.78Å; Y144-W153 AromaticContact CD1-CZ2 3.9Å; Y144-W153 HydrophobicContact CD1-CZ2 3.9Å; Y144-W153 HydrophobicContact CD1-CZ3 4.32Å; Y144-W153 HydrophobicContact CE1-CH2 4.48Å; Y144-W153 HydrophobicContact CG-CZ2 4.48Å; Y144-W153 PolarHBondContact O-NE1 3.09Å; E145-W153 HydrophobicContact CG-CB 4.49Å; E145-W153 HydrophobicContact CG-CG 4.5Å; E151-W153 VanDerWaalsContact O-CD1 3.26Å; E151-W153 WeakPolarHBondContact OE2-CZ2 3.48Å
154	R	88.6	Confident	85.9	Confident	87 Å²	87	52.3 Å²	52.3	33%	0.328	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117	179.8	-168.1	-177.3	-166	-176.2	4.7	111.3	F72 L119 S120	F72-R154 HydrophobicContact CD2-CG 3.48Å; F72-R154 VanDerWaalsContact CD2-CG 3.48Å; F72-R154 HydrophobicContact CE2-CG 3.73Å; F72-R154 HydrophobicContact CG-CG 4.41Å; L119-R154 WeakPolarHBondContact CA-O 3.36Å; S120-R154 PolarHBondContact N-O 3.09Å; S120-R154 PolarHBondContact O-N 3.37Å; S120-R154 PolarHBondContact OG-O 3.24Å
155	Y	92.4	Very high	86.4	Confident	10 Å²	10	53.4 Å²	53.4	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.9	169	-60	-93.5	0	0	0	110.1	L69 F72 L117 R118 L119 L131 I140 E145	L69-Y155 HydrophobicContact CD1-CD1 4.13Å; L69-Y155 HydrophobicContact CD1-CD2 3.67Å; L69-Y155 HydrophobicContact CD1-CE1 3.98Å; L69-Y155 HydrophobicContact CD1-CE2 3.52Å; L69-Y155 HydrophobicContact CD1-CG 3.98Å; L69-Y155 HydrophobicContact CG-CD2 4.46Å; L69-Y155 HydrophobicContact CG-CG 4.47Å; F72-Y155 WeakPolarHBondContact CD2-O 3.42Å; F72-Y155 PolarHBondContact N-O 2.76Å; L117-Y155 HydrophobicContact CD2-CD1 4.31Å; R118-Y155 CarbonylContact O-C 3.46Å; R118-Y155 WeakPolarHBondContact O-CA 3.36Å; L119-Y155 HydrophobicContact CD1-CD1 3.92Å; L119-Y155 HydrophobicContact CD1-CD2 4.25Å; L119-Y155 HydrophobicContact CD1-CE1 3.75Å; L119-Y155 HydrophobicContact CD1-CE2 4.08Å; L119-Y155 HydrophobicContact CD1-CG 4.17Å; L131-Y155 HydrophobicContact CD1-CD1 3.85Å; L131-Y155 HydrophobicContact CD1-CE1 3.88Å; I140-Y155 HydrophobicContact CG2-CE1 3.93Å; E145-Y155 VanDerWaalsContact OE1-CE2 3.23Å; E145-Y155 WeakPolarHBondContact OE1-CE2 3.46Å; E145-Y155 PolarHBondContact OE1-OH 3.11Å
156	E	93.8	Very high	87.1	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	111.9	-173.2	-167.9	-170.8	140.6	0	0	110.3	F72 Y74 R118 R158	F72-E156 HydrophobicContact CB-CG 4.33Å; F72-E156 CarbonylContact O-C 3.56Å; F72-E156 WeakPolarHBondContact O-CA 3.41Å; Y74-E156 PolarHBondContact OH-OE1 3.44Å; R118-E156 HydrophobicContact CB-CB 4.49Å; R118-E156 WeakPolarHBondContact CB-O 3.5Å; R118-E156 IonicContact CZ-OE1 3.63Å; R118-E156 IonicContact CZ-OE2 3.97Å; R118-E156 PolarHBondContact N-O 2.94Å; R118-E156 IonicContact NE-OE2 3.32Å; R118-E156 IonicContact NH2-OE1 3.78Å; R118-E156 PolarHBondContact NH2-OE1 2.85Å; R118-E156 IonicContact NH2-OE2 2.66Å; R118-E156 PolarHBondContact NH2-OE2 3.19Å; R118-E156 PolarHBondContact O-N 3.26Å; E156-R158 HydrophobicContact CG-CG 4.02Å; E156-R158 WeakPolarHBondContact OE1-CD 3.41Å; E156-R158 IonicContact OE1-CZ 3.1Å; E156-R158 IonicContact OE1-NE 3.19Å; E156-R158 IonicContact OE1-NH1 2.65Å; E156-R158 PolarHBondContact OE1-NH1 3.49Å
157	L	96.8	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132.6	172	177.7	69.6	0	0	0	108.9	V71 F72 H73 F75 I100 I103 L104 F115 Y179	V71-L157 HydrophobicContact CG1-CB 3.97Å; F72-L157 PolarHBondContact O-N 3.14Å; H73-L157 HydrophobicContact CB-CB 4.13Å; H73-L157 HydrophobicContact CB-CD2 4.22Å; F75-L157 HydrophobicContact CE2-CD2 4.04Å; I100-L157 HydrophobicContact CB-CD1 4.37Å; I100-L157 HydrophobicContact CG1-CD1 3.89Å; I100-L157 HydrophobicContact CG2-CD1 4.03Å; I103-L157 HydrophobicContact CB-CD2 4.13Å; I103-L157 HydrophobicContact CD1-CD2 3.97Å; I103-L157 HydrophobicContact CG2-CD2 3.78Å; L104-L157 HydrophobicContact CD2-CD2 4.14Å; F115-L157 HydrophobicContact CB-CD1 4.12Å; F115-L157 HydrophobicContact CD1-CD1 4.04Å; F115-L157 HydrophobicContact CD1-CD2 4.24Å; F115-L157 HydrophobicContact CD1-CG 4Å; L157-Y179 VanDerWaalsContact C-OH 3.23Å; L157-Y179 WeakPolarHBondContact CB-OH 3.4Å; L157-Y179 HydrophobicContact CD2-CE2 4.27Å; L157-Y179 WeakPolarHBondContact CG-OH 3.28Å; L157-Y179 PolarHBondContact O-OH 3.28Å
158	R	97	Very high	88.9	Confident	13 Å²	13	51.8 Å²	51.8	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148	-178.9	-67.4	-175.3	68	98.2	-1.3	111.8	Y74 F115 G116 W130 E156 Q183 D187	Y74-R158 HydrophobicContact CE2-CG 4.38Å; Y74-R158 PolarHBondContact OH-NH1 3.03Å; F115-R158 CarbonylContact C-O 3.59Å; F115-R158 WeakPolarHBondContact CA-O 3.48Å; G116-R158 PolarHBondContact N-O 2.9Å; G116-R158 PolarHBondContact O-N 2.72Å; G116-R158 VanDerWaalsContact O-O 3.09Å; W130-R158 HydrophobicContact CH2-CB 3.65Å; W130-R158 HydrophobicContact CH2-CG 4.35Å; W130-R158 HydrophobicContact CZ3-CB 3.95Å; E156-R158 HydrophobicContact CG-CG 4.02Å; E156-R158 WeakPolarHBondContact OE1-CD 3.41Å; E156-R158 IonicContact OE1-CZ 3.1Å; E156-R158 IonicContact OE1-NE 3.19Å; E156-R158 IonicContact OE1-NH1 2.65Å; E156-R158 PolarHBondContact OE1-NH1 3.49Å; R158-Q183 VanDerWaalsContact CA-OE1 3.26Å; R158-D187 IonicContact CZ-OD1 4Å; R158-D187 IonicContact CZ-OD2 2.81Å; R158-D187 IonicContact NH1-OD1 2.87Å; R158-D187 PolarHBondContact NH1-OD1 2.97Å; R158-D187 VanDerWaalsContact NH1-OD1 3.1Å; R158-D187 IonicContact NH1-OD2 3.05Å; R158-D187 VanDerWaalsContact NH2-CG 3.3Å; R158-D187 IonicContact NH2-OD1 3.76Å; R158-D187 PolarHBondContact NH2-OD1 3.49Å; R158-D187 IonicContact NH2-OD2 3.49Å; R158-D187 PolarHBondContact NH2-OD2 3.49Å
159	I	97.9	Very high	89.8	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.8	162.4	-67.4	169.5	0	0	0	107.1	C114 F115 L162 F170 T176 Y179 F180 Q183	C114-I159 HydrophobicContact CB-CG2 4.31Å; C114-I159 WeakPolarHBondContact O-CA 3.33Å; F115-I159 HydrophobicContact CD1-CG1 3.82Å; F115-I159 HydrophobicContact CD2-CG1 4.23Å; F115-I159 HydrophobicContact CE1-CD1 4.09Å; F115-I159 HydrophobicContact CE1-CG1 3.51Å; F115-I159 HydrophobicContact CE2-CD1 4.28Å; F115-I159 HydrophobicContact CE2-CG1 3.92Å; F115-I159 HydrophobicContact CG-CG1 4.19Å; F115-I159 HydrophobicContact CZ-CD1 3.78Å; F115-I159 HydrophobicContact CZ-CG1 3.56Å; I159-L162 HydrophobicContact CG2-CD2 3.65Å; I159-F170 HydrophobicContact CD1-CE2 4.41Å; I159-F170 HydrophobicContact CG2-CE2 4.44Å; I159-F170 HydrophobicContact CG2-CZ 4.3Å; I159-T176 HydrophobicContact CD1-CG2 3.71Å; I159-Y179 HydrophobicContact CD1-CD1 3.73Å; I159-Y179 HydrophobicContact CD1-CG 4.29Å; I159-Y179 HydrophobicContact CG1-CD1 3.84Å; I159-Y179 HydrophobicContact CG1-CE1 4.33Å; I159-F180 HydrophobicContact CB-CD2 4.13Å; I159-F180 HydrophobicContact CD1-CB 3.8Å; I159-F180 HydrophobicContact CD1-CD2 4.09Å; I159-F180 HydrophobicContact CD1-CG 4.44Å; I159-F180 HydrophobicContact CG2-CD2 3.87Å; I159-F180 HydrophobicContact CG2-CE2 4.23Å; I159-Q183 PolarHBondContact O-NE2 2.93Å
160	R	97.6	Very high	91.1	Very high	11 Å²	11	44.8 Å²	44.8	4%	0.042	22%	0.219	C	C	.	.			trans	-127.2	-42.8	-178.4	-163.5	-176.2	-167.8	-156	-5.6	112.5	C114 W130 E289 N372 D375 L376	C114-R160 PolarHBondContact O-N 3.35Å; W130-R160 HydrophobicContact CH2-CB 3.83Å; W130-R160 HydrophobicContact CH2-CG 3.78Å; W130-R160 HydrophobicContact CZ2-CB 4.44Å; W130-R160 HydrophobicContact CZ2-CG 3.88Å; W130-R160 HydrophobicContact CZ3-CB 4.02Å; W130-R160 HydrophobicContact CZ3-CG 4.18Å; W130-R160 VanDerWaalsContact NE1-CZ 3.35Å; R160-E289 WeakPolarHBondContact CG-OE1 3.39Å; R160-E289 IonicContact CZ-OE1 3.83Å; R160-E289 IonicContact CZ-OE2 2.69Å; R160-E289 IonicContact NE-OE1 3.14Å; R160-E289 PolarHBondContact NE-OE1 3.47Å; R160-E289 IonicContact NE-OE2 2.81Å; R160-E289 IonicContact NH2-OE1 3.13Å; R160-E289 PolarHBondContact NH2-OE1 3.4Å; R160-E289 IonicContact NH2-OE2 3.83Å; R160-E289 PolarHBondContact NH2-OE2 3.35Å; R160-N372 PolarHBondContact NH1-O 3.23Å; R160-N372 PolarHBondContact NH2-O 3.07Å; R160-D375 IonicContact CZ-OD2 3.62Å; R160-D375 IonicContact NH1-OD2 3.2Å; R160-D375 PolarHBondContact NH1-OD2 3.02Å; R160-L376 HydrophobicContact CG-CD1 3.86Å
161	Y	97	Very high	92.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	19%	0.193	C	C	.	.			trans	-98.3	113.9	-176.4	-31.8	-67.6	0	0	0	108.1	S113 C114 F115 D375 L376	S113-Y161 WeakPolarHBondContact O-CD2 3.22Å; C114-Y161 VanDerWaalsContact CA-O 3.28Å; C114-Y161 WeakPolarHBondContact CA-O 3.4Å; C114-Y161 WeakPolarHBondContact CB-O 3.33Å; C114-Y161 PolarHBondContact O-N 3.06Å; C114-Y161 PolarHBondContact SG-O 2.68Å; F115-Y161 WeakPolarHBondContact O-CE2 3.45Å; Y161-D375 PolarHBondContact OH-OD1 2.92Å; Y161-D375 PolarHBondContact OH-OD2 2.88Å; Y161-L376 HydrophobicContact CD1-CD1 4.37Å
162	L	97.3	Very high	93	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-100	133.5	-176.1	-65.1	175.6	0	0	0	110.8	I159 F166 F170 F180 P309 Y380	I159-L162 HydrophobicContact CG2-CD2 3.65Å; L162-F166 HydrophobicContact CB-CB 4.32Å; L162-F166 HydrophobicContact CB-CD1 3.96Å; L162-F166 HydrophobicContact CB-CG 4.17Å; L162-F166 HydrophobicContact CD1-CD1 4.07Å; L162-F166 HydrophobicContact CD1-CD2 4.49Å; L162-F166 HydrophobicContact CD1-CE1 3.92Å; L162-F166 HydrophobicContact CD1-CE2 4.35Å; L162-F166 HydrophobicContact CD1-CG 4.37Å; L162-F166 HydrophobicContact CD1-CZ 4.07Å; L162-F166 HydrophobicContact CD2-CB 4.36Å; L162-F166 HydrophobicContact CD2-CD2 4.09Å; L162-F166 HydrophobicContact CD2-CG 4.08Å; L162-F166 HydrophobicContact CG-CD1 4.42Å; L162-F166 HydrophobicContact CG-CG 4.44Å; L162-F170 HydrophobicContact CD2-CE2 3.91Å; L162-F170 HydrophobicContact CD2-CZ 3.91Å; L162-F180 HydrophobicContact CD1-CE2 4.37Å; L162-F180 HydrophobicContact CD1-CZ 4.29Å; L162-F180 HydrophobicContact CD2-CD2 4.27Å; L162-F180 HydrophobicContact CD2-CE2 3.71Å; L162-F180 HydrophobicContact CD2-CZ 4.19Å; L162-P309 HydrophobicContact CB-CB 4.39Å; L162-P309 HydrophobicContact CB-CG 3.91Å; L162-P309 WeakPolarHBondContact O-CB 3.24Å; L162-Y380 PolarHBondContact N-OH 3.14Å; L162-Y380 VanDerWaalsContact O-CE1 3.3Å; L162-Y380 WeakPolarHBondContact O-CE1 3.36Å
163	P	94.9	Very high	93.7	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.078	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-74.6	157.7	171.3	28.5	-32.9	0	0	0	111	G165 F166 Q169 F170 L383	P163-G165 PolarHBondContact O-N 3.33Å; P163-F166 HydrophobicContact CG-CB 3.91Å; P163-F166 WeakPolarHBondContact O-CA 3.47Å; P163-F166 VanDerWaalsContact O-CB 3.27Å; P163-F166 WeakPolarHBondContact O-CB 3.43Å; P163-F166 PolarHBondContact O-N 3.03Å; P163-Q169 VanDerWaalsContact CB-OE1 3.27Å; P163-Q169 VanDerWaalsContact CG-OE1 3.3Å; P163-F170 HydrophobicContact CG-CE1 4.09Å; P163-L383 HydrophobicContact CB-CD2 4.41Å
164	K	92.6	Very high	93.9	Very high	131 Å²	131	41.7 Å²	41.7	57%	0.57	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	125.4	179.7	-162.3	178.5	-176.3	65.7	0	110.8	Q169 E310	K164-Q169 PolarHBondContact O-NE2 3.47Å; K164-E310 WeakPolarHBondContact CE-OE2 3.28Å; K164-E310 WeakPolarHBondContact CG-OE1 3.44Å; K164-E310 WeakPolarHBondContact CG-OE2 3.42Å; K164-E310 IonicContact NZ-OE2 2.67Å; K164-E310 PolarHBondContact NZ-OE2 3.23Å
165	G	92	Very high	94	Very high	35 Å²	35	39.5 Å²	39.5	36%	0.361	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	29.4	-170.7	0	0	0	0	0	115.2	P163 V167 Q168 E310	P163-G165 PolarHBondContact O-N 3.33Å; G165-V167 PolarHBondContact O-N 2.93Å; G165-Q168 PolarHBondContact O-N 3.41Å; G165-E310 PolarHBondContact N-OE1 3.03Å
166	F	94.4	Very high	94.1	Very high	15 Å²	15	39 Å²	39	7%	0.066	20%	0.198	C	C	.	.	H	α-helix	trans	-42.1	-35.8	-176.2	61.1	-83.7	0	0	0	116.1	L162 P163 Q168 Q169 F170 F180 Y286 D287 P309	L162-F166 HydrophobicContact CB-CB 4.32Å; L162-F166 HydrophobicContact CB-CD1 3.96Å; L162-F166 HydrophobicContact CB-CG 4.17Å; L162-F166 HydrophobicContact CD1-CD1 4.07Å; L162-F166 HydrophobicContact CD1-CD2 4.49Å; L162-F166 HydrophobicContact CD1-CE1 3.92Å; L162-F166 HydrophobicContact CD1-CE2 4.35Å; L162-F166 HydrophobicContact CD1-CG 4.37Å; L162-F166 HydrophobicContact CD1-CZ 4.07Å; L162-F166 HydrophobicContact CD2-CB 4.36Å; L162-F166 HydrophobicContact CD2-CD2 4.09Å; L162-F166 HydrophobicContact CD2-CG 4.08Å; L162-F166 HydrophobicContact CG-CD1 4.42Å; L162-F166 HydrophobicContact CG-CG 4.44Å; P163-F166 HydrophobicContact CG-CB 3.91Å; P163-F166 WeakPolarHBondContact O-CA 3.47Å; P163-F166 VanDerWaalsContact O-CB 3.27Å; P163-F166 WeakPolarHBondContact O-CB 3.43Å; P163-F166 PolarHBondContact O-N 3.03Å; F166-Q168 VanDerWaalsContact C-N 3.28Å; F166-Q168 PolarHBondContact O-N 3.11Å; F166-Q169 PolarHBondContact O-N 2.85Å; F166-Q169 VanDerWaalsContact O-N 3.08Å; F166-F170 HydrophobicContact CB-CD2 4.44Å; F166-F170 HydrophobicContact CB-CE1 4.29Å; F166-F170 HydrophobicContact CB-CE2 4.12Å; F166-F170 HydrophobicContact CB-CZ 4.04Å; F166-F170 HydrophobicContact CD2-CD2 4.15Å; F166-F170 AromaticContact CD2-CE2 3.98Å; F166-F170 HydrophobicContact CD2-CE2 3.98Å; F166-F170 HydrophobicContact CG-CE2 4.48Å; F166-F170 WeakPolarHBondContact O-CB 3.24Å; F166-F170 VanDerWaalsContact O-CG 3.3Å; F166-F170 WeakPolarHBondContact O-CG 3.32Å; F166-F170 PolarHBondContact O-N 3.27Å; F166-F180 HydrophobicContact CD2-CE1 4.23Å; F166-F180 HydrophobicContact CD2-CZ 4.37Å; F166-F180 HydrophobicContact CE2-CD1 4.42Å; F166-F180 AromaticContact CE2-CE1 3.6Å; F166-F180 HydrophobicContact CE2-CE1 3.6Å; F166-F180 AromaticContact CE2-CZ 3.78Å; F166-F180 HydrophobicContact CE2-CZ 3.78Å; F166-F180 HydrophobicContact CZ-CZ 4.46Å; F166-Y286 HydrophobicContact CE2-CE2 4.25Å; F166-Y286 HydrophobicContact CZ-CE2 4.04Å; F166-D287 HydrophobicContact CE1-CB 4.26Å; F166-D287 HydrophobicContact CZ-CB 4.24Å; F166-P309 HydrophobicContact CD1-CG 4.22Å; F166-P309 HydrophobicContact CE1-CG 4.31Å
167	V	92.8	Very high	94.2	Very high	52 Å²	52	38.9 Å²	38.9	32%	0.315	20%	0.197	S	C	.	.	H	α-helix	trans	-56	-41.9	-179.7	-177.7	0	0	0	0	111.9	G165 T171 L274	G165-V167 PolarHBondContact O-N 2.93Å; V167-T171 PolarHBondContact O-N 2.93Å; V167-T171 PolarHBondContact O-OG1 3.24Å; V167-L274 HydrophobicContact CG1-CD2 3.44Å; V167-L274 VanDerWaalsContact CG1-CD2 3.44Å
168	Q	91.9	Very high	94	Very high	146 Å²	146	40.5 Å²	40.5	68%	0.682	21%	0.206	S	C	*	.	H	α-helix	trans	-69.2	-45.5	175.7	-177.3	176.5	-12.3	0	0	110.8	G165 F166 F170 T171	G165-Q168 PolarHBondContact O-N 3.41Å; F166-Q168 VanDerWaalsContact C-N 3.28Å; F166-Q168 PolarHBondContact O-N 3.11Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; Q168-F170 PolarHBondContact O-N 3.19Å; Q168-T171 WeakPolarHBondContact O-CB 3.29Å; Q168-T171 PolarHBondContact O-N 3.01Å; Q168-T171 VanDerWaalsContact O-N 3.12Å
169	Q	92.9	Very high	93.9	Very high	51 Å²	51	40 Å²	40	24%	0.238	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-34.8	-176.8	-52.4	-166.9	16	0	0	113	W111 P163 K164 F166 E172	W111-Q169 HydrophobicContact CZ2-CB 3.93Å; W111-Q169 HydrophobicContact CZ2-CG 4.42Å; W111-Q169 PolarHBondContact NE1-O 3.02Å; W111-Q169 VanDerWaalsContact NE1-O 3.09Å; P163-Q169 VanDerWaalsContact CB-OE1 3.27Å; P163-Q169 VanDerWaalsContact CG-OE1 3.3Å; K164-Q169 PolarHBondContact O-NE2 3.47Å; F166-Q169 PolarHBondContact O-N 2.85Å; F166-Q169 VanDerWaalsContact O-N 3.08Å; Q169-E172 PolarHBondContact O-N 3.42Å
170	F	95.3	Very high	93.9	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-76	-25.5	175.3	-65.6	-4.9	0	0	0	111.8	W111 I159 L162 P163 F166 Q168 E172 D173 T176 L177 F180	W111-F170 HydrophobicContact CB-CE1 4.26Å; W111-F170 AromaticContact CD1-CD1 3.91Å; W111-F170 HydrophobicContact CG-CD1 4.27Å; W111-F170 HydrophobicContact CG-CE1 4.2Å; I159-F170 HydrophobicContact CD1-CE2 4.41Å; I159-F170 HydrophobicContact CG2-CE2 4.44Å; I159-F170 HydrophobicContact CG2-CZ 4.3Å; L162-F170 HydrophobicContact CD2-CE2 3.91Å; L162-F170 HydrophobicContact CD2-CZ 3.91Å; P163-F170 HydrophobicContact CG-CE1 4.09Å; F166-F170 HydrophobicContact CB-CD2 4.44Å; F166-F170 HydrophobicContact CB-CE1 4.29Å; F166-F170 HydrophobicContact CB-CE2 4.12Å; F166-F170 HydrophobicContact CB-CZ 4.04Å; F166-F170 HydrophobicContact CD2-CD2 4.15Å; F166-F170 AromaticContact CD2-CE2 3.98Å; F166-F170 HydrophobicContact CD2-CE2 3.98Å; F166-F170 HydrophobicContact CG-CE2 4.48Å; F166-F170 WeakPolarHBondContact O-CB 3.24Å; F166-F170 VanDerWaalsContact O-CG 3.3Å; F166-F170 WeakPolarHBondContact O-CG 3.32Å; F166-F170 PolarHBondContact O-N 3.27Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; Q168-F170 PolarHBondContact O-N 3.19Å; F170-E172 PolarHBondContact O-N 3.35Å; F170-D173 CarbonylContact O-C 3.6Å; F170-D173 WeakPolarHBondContact O-CA 3.45Å; F170-D173 PolarHBondContact O-N 2.77Å; F170-T176 HydrophobicContact CD1-CG2 3.62Å; F170-T176 HydrophobicContact CD2-CG2 4.05Å; F170-T176 HydrophobicContact CE1-CG2 3.65Å; F170-T176 HydrophobicContact CE2-CG2 4.08Å; F170-T176 HydrophobicContact CG-CG2 3.83Å; F170-T176 HydrophobicContact CZ-CG2 3.88Å; F170-L177 HydrophobicContact CB-CB 4.1Å; F170-L177 HydrophobicContact CB-CD1 4.27Å; F170-L177 WeakPolarHBondContact O-CB 3.4Å; F170-F180 HydrophobicContact CD2-CB 4.14Å; F170-F180 HydrophobicContact CD2-CG 4.22Å; F170-F180 HydrophobicContact CE2-CB 4.17Å; F170-F180 HydrophobicContact CE2-CD2 4.09Å; F170-F180 AromaticContact CE2-CG 3.99Å; F170-F180 HydrophobicContact CE2-CG 3.99Å
171	T	93.2	Very high	93.7	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-28.6	172.7	-57.8	0	0	0	0	111.7	V167 Q168 D173 E270	V167-T171 PolarHBondContact O-N 2.93Å; V167-T171 PolarHBondContact O-OG1 3.24Å; Q168-T171 WeakPolarHBondContact O-CB 3.29Å; Q168-T171 PolarHBondContact O-N 3.01Å; Q168-T171 VanDerWaalsContact O-N 3.12Å; T171-D173 VanDerWaalsContact C-N 3.3Å; T171-E270 HydrophobicContact CG2-CG 4.49Å
172	E	91.9	Very high	93.5	Very high	125 Å²	125	39.5 Å²	39.5	58%	0.584	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.1	170.6	-58.4	-173.4	-164.7	0	0	114.6	R110 Q169 F170	R110-E172 PolarHBondContact NH1-O 2.89Å; R110-E172 IonicContact NH1-OE2 3.81Å; Q169-E172 PolarHBondContact O-N 3.42Å; F170-E172 PolarHBondContact O-N 3.35Å
173	D	92.2	Very high	93.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	-138.4	71.9	-177.7	-172.2	22.2	0	0	0	110.1	R110 W111 F170 T171 P175 T176 L177	R110-D173 HydrophobicContact CB-CB 4.24Å; R110-D173 WeakPolarHBondContact CB-OD2 3.38Å; R110-D173 HydrophobicContact CG-CB 4.46Å; R110-D173 PolarHBondContact N-OD1 3.35Å; R110-D173 PolarHBondContact N-OD2 2.96Å; W111-D173 PolarHBondContact N-OD2 3.09Å; F170-D173 CarbonylContact O-C 3.6Å; F170-D173 WeakPolarHBondContact O-CA 3.45Å; F170-D173 PolarHBondContact O-N 2.77Å; T171-D173 VanDerWaalsContact C-N 3.3Å; D173-P175 VanDerWaalsContact C-N 3.32Å; D173-P175 VanDerWaalsContact O-N 3.15Å; D173-T176 WeakPolarHBondContact O-CA 3.24Å; D173-T176 WeakPolarHBondContact O-CB 3.46Å; D173-T176 PolarHBondContact O-N 3.21Å; D173-T176 WeakPolarHBondContact OD2-CB 3.18Å; D173-T176 PolarHBondContact OD2-OG1 3.06Å; D173-L177 PolarHBondContact O-N 3.5Å; D173-L177 VanDerWaalsContact O-N 3.1Å
174	K	89.3	Confident	93.4	Very high	120 Å²	120	39.1 Å²	39.1	52%	0.522	20%	0.199	S	C	.	.	H	α-helix	trans	-52.8	-34.5	-170.7	-62.1	-177.5	-171.1	-103.4	0	115.4	L177 N178 E270	K174-L177 PolarHBondContact O-N 3.25Å; K174-N178 PolarHBondContact O-N 3.5Å; K174-N178 VanDerWaalsContact O-N 3.08Å; K174-N178 PolarHBondContact O-ND2 3.46Å; K174-E270 IonicContact NZ-OE2 3.01Å; K174-E270 PolarHBondContact NZ-OE2 3.49Å
175	P	90.8	Very high	93.3	Very high	42 Å²	42	34.6 Å²	34.6	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-55.2	-49.1	170	-26.4	35.9	0	0	0	112.3	F75 N107 V109 D173 N178 Y179	F75-P175 HydrophobicContact CE1-CB 4.44Å; N107-P175 WeakPolarHBondContact O-CG 3.46Å; V109-P175 HydrophobicContact CG2-CB 3.95Å; D173-P175 VanDerWaalsContact C-N 3.32Å; D173-P175 VanDerWaalsContact O-N 3.15Å; P175-N178 PolarHBondContact O-N 3.05Å; P175-Y179 WeakPolarHBondContact O-CB 3.13Å; P175-Y179 PolarHBondContact O-N 2.87Å
176	T	94.9	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-39.6	-179.9	-56	0	0	0	0	112.3	W111 F115 I159 F170 D173 N178 Y179 F180	W111-T176 HydrophobicContact CB-CG2 4.24Å; F115-T176 HydrophobicContact CE2-CG2 4.28Å; F115-T176 HydrophobicContact CZ-CG2 4.38Å; I159-T176 HydrophobicContact CD1-CG2 3.71Å; F170-T176 HydrophobicContact CD1-CG2 3.62Å; F170-T176 HydrophobicContact CD2-CG2 4.05Å; F170-T176 HydrophobicContact CE1-CG2 3.65Å; F170-T176 HydrophobicContact CE2-CG2 4.08Å; F170-T176 HydrophobicContact CG-CG2 3.83Å; F170-T176 HydrophobicContact CZ-CG2 3.88Å; D173-T176 WeakPolarHBondContact O-CA 3.24Å; D173-T176 WeakPolarHBondContact O-CB 3.46Å; D173-T176 PolarHBondContact O-N 3.21Å; D173-T176 WeakPolarHBondContact OD2-CB 3.18Å; D173-T176 PolarHBondContact OD2-OG1 3.06Å; T176-N178 PolarHBondContact O-N 3.19Å; T176-Y179 WeakPolarHBondContact O-CB 3.27Å; T176-Y179 PolarHBondContact O-N 2.98Å; T176-F180 WeakPolarHBondContact O-CB 3.29Å; T176-F180 PolarHBondContact O-N 2.92Å
177	L	95.6	Very high	92.9	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-43.4	174	-179	63.1	0	0	0	112.4	F170 D173 K174 Y181 E270 I273 L277	F170-L177 HydrophobicContact CB-CB 4.1Å; F170-L177 HydrophobicContact CB-CD1 4.27Å; F170-L177 WeakPolarHBondContact O-CB 3.4Å; D173-L177 PolarHBondContact O-N 3.5Å; D173-L177 VanDerWaalsContact O-N 3.1Å; K174-L177 PolarHBondContact O-N 3.25Å; L177-Y181 VanDerWaalsContact O-CB 3.28Å; L177-Y181 WeakPolarHBondContact O-CB 3.21Å; L177-Y181 PolarHBondContact O-N 3.19Å; L177-E270 HydrophobicContact CD2-CG 4.26Å; L177-I273 HydrophobicContact CD1-CG2 3.8Å; L177-I273 HydrophobicContact CD2-CG2 4.34Å; L177-I273 HydrophobicContact CG-CG2 3.91Å; L177-L277 HydrophobicContact CD1-CD1 4.44Å
178	N	92.9	Very high	92.9	Very high	34 Å²	34	32.6 Å²	32.6	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-69.2	-38.7	177.9	-80	-93.3	0	0	0	111.6	K174 P175 T176 Y181 H182	K174-N178 PolarHBondContact O-N 3.5Å; K174-N178 VanDerWaalsContact O-N 3.08Å; K174-N178 PolarHBondContact O-ND2 3.46Å; P175-N178 PolarHBondContact O-N 3.05Å; T176-N178 PolarHBondContact O-N 3.19Å; N178-Y181 PolarHBondContact O-N 3.39Å; N178-H182 WeakPolarHBondContact O-CB 3.45Å; N178-H182 PolarHBondContact O-CD2 2.81Å; N178-H182 VanDerWaalsContact O-CD2 3.23Å; N178-H182 PolarHBondContact O-N 2.93Å
179	Y	94.9	Very high	92.5	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-52	173.9	-162.1	-79.3	0	0	0	111.6	H73 Y74 F75 F115 L157 I159 P175 T176 Y181 H182 Q183	H73-Y179 VanDerWaalsContact CA-OH 3.28Å; H73-Y179 WeakPolarHBondContact CA-OH 3.5Å; H73-Y179 HydrophobicContact CB-CE2 4.02Å; H73-Y179 VanDerWaalsContact CB-OH 3.3Å; H73-Y179 WeakPolarHBondContact CB-OH 3.35Å; Y74-Y179 AromaticContact CD2-CE1 3.82Å; Y74-Y179 HydrophobicContact CD2-CE1 3.82Å; Y74-Y179 HydrophobicContact CG-CE1 4.29Å; Y74-Y179 PolarHBondContact N-OH 3.29Å; Y74-Y179 VanDerWaalsContact N-OH 3.12Å; F75-Y179 AromaticContact CD1-CD2 3.63Å; F75-Y179 HydrophobicContact CD1-CD2 3.63Å; F75-Y179 HydrophobicContact CD1-CE2 4.26Å; F75-Y179 AromaticContact CD2-CD2 3.71Å; F75-Y179 HydrophobicContact CD2-CD2 3.71Å; F75-Y179 AromaticContact CD2-CE2 3.46Å; F75-Y179 HydrophobicContact CD2-CE2 3.46Å; F75-Y179 VanDerWaalsContact CD2-CE2 3.46Å; F75-Y179 AromaticContact CE1-CD2 3.48Å; F75-Y179 HydrophobicContact CE1-CD2 3.48Å; F75-Y179 VanDerWaalsContact CE1-CD2 3.48Å; F75-Y179 HydrophobicContact CE1-CE2 4.16Å; F75-Y179 HydrophobicContact CE1-CG 4.36Å; F75-Y179 AromaticContact CE2-CD2 3.57Å; F75-Y179 HydrophobicContact CE2-CD2 3.57Å; F75-Y179 AromaticContact CE2-CE2 3.33Å; F75-Y179 HydrophobicContact CE2-CE2 3.33Å; F75-Y179 AromaticContact CG-CD2 3.72Å; F75-Y179 HydrophobicContact CG-CD2 3.72Å; F75-Y179 AromaticContact CG-CE2 3.92Å; F75-Y179 HydrophobicContact CG-CE2 3.92Å; F75-Y179 AromaticContact CZ-CD2 3.44Å; F75-Y179 HydrophobicContact CZ-CD2 3.44Å; F75-Y179 VanDerWaalsContact CZ-CD2 3.44Å; F75-Y179 AromaticContact CZ-CE2 3.69Å; F75-Y179 HydrophobicContact CZ-CE2 3.69Å; F75-Y179 HydrophobicContact CZ-CG 4.42Å; F115-Y179 HydrophobicContact CD1-CE1 4.27Å; F115-Y179 AromaticContact CE1-CD1 3.67Å; F115-Y179 HydrophobicContact CE1-CD1 3.67Å; F115-Y179 HydrophobicContact CE1-CD2 4.06Å; F115-Y179 AromaticContact CE1-CE1 3.71Å; F115-Y179 HydrophobicContact CE1-CE1 3.71Å; F115-Y179 HydrophobicContact CE1-CE2 4.07Å; F115-Y179 AromaticContact CE1-CG 3.85Å; F115-Y179 HydrophobicContact CE1-CG 3.85Å; F115-Y179 AromaticContact CE1-CZ 3.92Å; F115-Y179 HydrophobicContact CZ-CD1 4.3Å; F115-Y179 HydrophobicContact CZ-CG 4.23Å; L157-Y179 VanDerWaalsContact C-OH 3.23Å; L157-Y179 WeakPolarHBondContact CB-OH 3.4Å; L157-Y179 HydrophobicContact CD2-CE2 4.27Å; L157-Y179 WeakPolarHBondContact CG-OH 3.28Å; L157-Y179 PolarHBondContact O-OH 3.28Å; I159-Y179 HydrophobicContact CD1-CD1 3.73Å; I159-Y179 HydrophobicContact CD1-CG 4.29Å; I159-Y179 HydrophobicContact CG1-CD1 3.84Å; I159-Y179 HydrophobicContact CG1-CE1 4.33Å; P175-Y179 WeakPolarHBondContact O-CB 3.13Å; P175-Y179 PolarHBondContact O-N 2.87Å; T176-Y179 WeakPolarHBondContact O-CB 3.27Å; T176-Y179 PolarHBondContact O-N 2.98Å; Y179-Y181 PolarHBondContact O-N 3.12Å; Y179-H182 PolarHBondContact O-N 3.27Å; Y179-Q183 WeakPolarHBondContact O-CB 3.47Å; Y179-Q183 PolarHBondContact O-N 3.12Å
180	F	96.8	Very high	92	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-44	-179.9	-169.9	-106.2	0	0	0	111.6	I159 L162 F166 F170 T176 H182 Q183 V184 L277 Y286	I159-F180 HydrophobicContact CB-CD2 4.13Å; I159-F180 HydrophobicContact CD1-CB 3.8Å; I159-F180 HydrophobicContact CD1-CD2 4.09Å; I159-F180 HydrophobicContact CD1-CG 4.44Å; I159-F180 HydrophobicContact CG2-CD2 3.87Å; I159-F180 HydrophobicContact CG2-CE2 4.23Å; L162-F180 HydrophobicContact CD1-CE2 4.37Å; L162-F180 HydrophobicContact CD1-CZ 4.29Å; L162-F180 HydrophobicContact CD2-CD2 4.27Å; L162-F180 HydrophobicContact CD2-CE2 3.71Å; L162-F180 HydrophobicContact CD2-CZ 4.19Å; F166-F180 HydrophobicContact CD2-CE1 4.23Å; F166-F180 HydrophobicContact CD2-CZ 4.37Å; F166-F180 HydrophobicContact CE2-CD1 4.42Å; F166-F180 AromaticContact CE2-CE1 3.6Å; F166-F180 HydrophobicContact CE2-CE1 3.6Å; F166-F180 AromaticContact CE2-CZ 3.78Å; F166-F180 HydrophobicContact CE2-CZ 3.78Å; F166-F180 HydrophobicContact CZ-CZ 4.46Å; F170-F180 HydrophobicContact CD2-CB 4.14Å; F170-F180 HydrophobicContact CD2-CG 4.22Å; F170-F180 HydrophobicContact CE2-CB 4.17Å; F170-F180 HydrophobicContact CE2-CD2 4.09Å; F170-F180 AromaticContact CE2-CG 3.99Å; F170-F180 HydrophobicContact CE2-CG 3.99Å; T176-F180 WeakPolarHBondContact O-CB 3.29Å; T176-F180 PolarHBondContact O-N 2.92Å; F180-H182 PolarHBondContact O-N 2.87Å; F180-Q183 PolarHBondContact O-N 3.07Å; F180-V184 HydrophobicContact CD1-CG2 4.2Å; F180-V184 HydrophobicContact CD2-CG2 4.37Å; F180-V184 HydrophobicContact CE1-CG2 3.8Å; F180-V184 HydrophobicContact CE2-CG2 3.99Å; F180-V184 HydrophobicContact CG-CG2 4.47Å; F180-V184 HydrophobicContact CZ-CG2 3.71Å; F180-V184 WeakPolarHBondContact O-CB 3.39Å; F180-V184 WeakPolarHBondContact O-CG2 3.31Å; F180-V184 PolarHBondContact O-N 3.31Å; F180-L277 HydrophobicContact CD1-CD1 4.21Å; F180-L277 HydrophobicContact CD1-CD2 4.26Å; F180-L277 HydrophobicContact CE1-CD1 4.5Å; F180-L277 HydrophobicContact CE1-CD2 4.13Å; F180-Y286 AromaticContact CE1-CD2 3.9Å; F180-Y286 HydrophobicContact CE1-CD2 3.9Å; F180-Y286 AromaticContact CE1-CE2 3.83Å; F180-Y286 HydrophobicContact CE1-CE2 3.83Å; F180-Y286 AromaticContact CZ-CD2 3.65Å; F180-Y286 HydrophobicContact CZ-CD2 3.65Å; F180-Y286 HydrophobicContact CZ-CE2 4Å
181	Y	95.4	Very high	91.4	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-50.4	172.9	172.4	-106.3	0	0	0	112.2	L177 N178 Y179 V184 K185 E208 I273 F276	L177-Y181 VanDerWaalsContact O-CB 3.28Å; L177-Y181 WeakPolarHBondContact O-CB 3.21Å; L177-Y181 PolarHBondContact O-N 3.19Å; N178-Y181 PolarHBondContact O-N 3.39Å; Y179-Y181 PolarHBondContact O-N 3.12Å; Y181-V184 PolarHBondContact O-N 3.39Å; Y181-K185 HydrophobicContact CE1-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.38Å; Y181-K185 PolarHBondContact O-N 2.6Å; Y181-E208 PolarHBondContact OH-OE2 3.38Å; Y181-I273 HydrophobicContact CD1-CD1 4.44Å; Y181-I273 HydrophobicContact CD1-CG1 4.04Å; Y181-I273 HydrophobicContact CD2-CB 4.13Å; Y181-I273 HydrophobicContact CD2-CG1 3.9Å; Y181-I273 HydrophobicContact CD2-CG2 3.84Å; Y181-I273 HydrophobicContact CE1-CG1 4.49Å; Y181-I273 HydrophobicContact CE2-CG1 4.35Å; Y181-I273 HydrophobicContact CG-CB 4.32Å; Y181-I273 HydrophobicContact CG-CD1 4.31Å; Y181-I273 HydrophobicContact CG-CG1 3.73Å; Y181-I273 HydrophobicContact CG-CG2 3.96Å; Y181-F276 HydrophobicContact CD2-CD1 4.23Å; Y181-F276 HydrophobicContact CD2-CG 4.45Å; Y181-F276 HydrophobicContact CE2-CB 3.84Å; Y181-F276 AromaticContact CE2-CD1 3.66Å; Y181-F276 HydrophobicContact CE2-CD1 3.66Å; Y181-F276 HydrophobicContact CE2-CD2 4.02Å; Y181-F276 HydrophobicContact CE2-CE1 4.21Å; Y181-F276 AromaticContact CE2-CG 3.59Å; Y181-F276 HydrophobicContact CE2-CG 3.59Å
182	H	92.4	Very high	90.9	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-38.1	-177.8	-76.9	-41.4	0	0	0	113.2	Y74 E76 W84 N178 Y179 F180 N186 R211	Y74-H182 HydrophobicContact CD1-CB 4.08Å; Y74-H182 HydrophobicContact CG-CB 4.41Å; E76-H182 IonicContact OE1-NE2 2.66Å; W84-H182 AromaticContact CH2-CD2 3.64Å; W84-H182 AromaticContact CH2-CE1 3.99Å; W84-H182 AromaticContact CH2-CG 3.86Å; W84-H182 AromaticContact CH2-NE2 3.74Å; W84-H182 HydrophobicContact CZ3-CB 3.94Å; W84-H182 AromaticContact CZ3-CD2 3.75Å; W84-H182 AromaticContact CZ3-CG 3.74Å; N178-H182 WeakPolarHBondContact O-CB 3.45Å; N178-H182 PolarHBondContact O-CD2 2.81Å; N178-H182 VanDerWaalsContact O-CD2 3.23Å; N178-H182 PolarHBondContact O-N 2.93Å; Y179-H182 PolarHBondContact O-N 3.27Å; F180-H182 PolarHBondContact O-N 2.87Å; H182-N186 WeakPolarHBondContact O-CB 3.48Å; H182-N186 PolarHBondContact O-N 2.85Å; H182-R211 PolarHBondContact CE1-NH2 3.14Å
183	Q	93.9	Very high	90.4	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-56.9	172.1	-177.4	178.7	-61.2	0	0	111	Y74 R158 I159 Y179 F180 K185 N186 D187	Y74-Q183 HydrophobicContact CD1-CB 4.49Å; Y74-Q183 HydrophobicContact CD2-CB 3.64Å; Y74-Q183 HydrophobicContact CD2-CG 3.97Å; Y74-Q183 HydrophobicContact CE2-CB 3.89Å; Y74-Q183 HydrophobicContact CE2-CG 3.78Å; Y74-Q183 HydrophobicContact CG-CB 3.96Å; R158-Q183 VanDerWaalsContact CA-OE1 3.26Å; I159-Q183 PolarHBondContact O-NE2 2.93Å; Y179-Q183 WeakPolarHBondContact O-CB 3.47Å; Y179-Q183 PolarHBondContact O-N 3.12Å; F180-Q183 PolarHBondContact O-N 3.07Å; Q183-K185 VanDerWaalsContact C-N 3.33Å; Q183-K185 PolarHBondContact O-N 2.9Å; Q183-N186 WeakPolarHBondContact O-CB 3.49Å; Q183-N186 PolarHBondContact O-N 3.35Å; Q183-N186 VanDerWaalsContact O-N 3.08Å; Q183-D187 VanDerWaalsContact O-CG 3.25Å; Q183-D187 PolarHBondContact O-N 3.36Å
184	V	94.5	Very high	90	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-36.9	-178.1	172.8	0	0	0	0	111.7	F180 Y181 D187 Y188 L277 L280 Y286	F180-V184 HydrophobicContact CD1-CG2 4.2Å; F180-V184 HydrophobicContact CD2-CG2 4.37Å; F180-V184 HydrophobicContact CE1-CG2 3.8Å; F180-V184 HydrophobicContact CE2-CG2 3.99Å; F180-V184 HydrophobicContact CG-CG2 4.47Å; F180-V184 HydrophobicContact CZ-CG2 3.71Å; F180-V184 WeakPolarHBondContact O-CB 3.39Å; F180-V184 WeakPolarHBondContact O-CG2 3.31Å; F180-V184 PolarHBondContact O-N 3.31Å; Y181-V184 PolarHBondContact O-N 3.39Å; V184-D187 PolarHBondContact O-N 3.36Å; V184-Y188 WeakPolarHBondContact O-CB 3.24Å; V184-Y188 PolarHBondContact O-N 3Å; V184-L277 HydrophobicContact CB-CD2 4.17Å; V184-L277 HydrophobicContact CG1-CD2 3.92Å; V184-L277 HydrophobicContact CG2-CD2 4.5Å; V184-L280 HydrophobicContact CG1-CD2 3.53Å; V184-Y286 HydrophobicContact CG1-CD1 3.62Å; V184-Y286 HydrophobicContact CG1-CE1 4.22Å; V184-Y286 HydrophobicContact CG1-CG 3.82Å; V184-Y286 HydrophobicContact CG2-CD2 4.23Å; V184-Y286 HydrophobicContact CG2-CG 4.04Å
185	K	91.9	Very high	89.8	Confident	36 Å²	36	34.1 Å²	34.1	16%	0.157	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-39.9	173	-165.3	-158.7	73.5	157.7	0	111.6	Y181 Q183 M189 E208 F276	Y181-K185 HydrophobicContact CE1-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.38Å; Y181-K185 PolarHBondContact O-N 2.6Å; Q183-K185 VanDerWaalsContact C-N 3.33Å; Q183-K185 PolarHBondContact O-N 2.9Å; K185-M189 WeakPolarHBondContact O-CB 3.48Å; K185-M189 VanDerWaalsContact O-CG 3.24Å; K185-M189 WeakPolarHBondContact O-CG 3.46Å; K185-M189 PolarHBondContact O-N 3.44Å; K185-E208 HydrophobicContact CD-CG 4.2Å; K185-E208 WeakPolarHBondContact CD-OE1 3.49Å; K185-E208 IonicContact NZ-OE1 3.55Å; K185-E208 PolarHBondContact NZ-OE1 3.47Å; K185-F276 HydrophobicContact CB-CE1 4.22Å; K185-F276 HydrophobicContact CB-CZ 4.18Å; K185-F276 HydrophobicContact CG-CE1 4.19Å; K185-F276 HydrophobicContact CG-CE2 4.21Å; K185-F276 HydrophobicContact CG-CZ 3.64Å
186	N	89.1	Confident	89.7	Confident	56 Å²	56	33 Å²	33	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-45.7	176.3	175.3	89.2	0	0	0	111.4	Y74 H182 Q183 Y188 M189 T190	Y74-N186 HydrophobicContact CE1-CB 3.61Å; Y74-N186 PolarHBondContact OH-ND2 2.69Å; H182-N186 WeakPolarHBondContact O-CB 3.48Å; H182-N186 PolarHBondContact O-N 2.85Å; Q183-N186 WeakPolarHBondContact O-CB 3.49Å; Q183-N186 PolarHBondContact O-N 3.35Å; Q183-N186 VanDerWaalsContact O-N 3.08Å; N186-Y188 VanDerWaalsContact C-N 3.34Å; N186-Y188 PolarHBondContact O-N 3.05Å; N186-M189 PolarHBondContact O-N 3.48Å; N186-T190 WeakPolarHBondContact O-CB 3.46Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.41Å; N186-T190 PolarHBondContact O-OG1 3.36Å
187	D	89.4	Confident	89.5	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-41.6	179.1	-56.4	-34	0	0	0	111	R158 Q183 V184 T190 Q191 Y284	R158-D187 IonicContact CZ-OD1 4Å; R158-D187 IonicContact CZ-OD2 2.81Å; R158-D187 IonicContact NH1-OD1 2.87Å; R158-D187 PolarHBondContact NH1-OD1 2.97Å; R158-D187 VanDerWaalsContact NH1-OD1 3.1Å; R158-D187 IonicContact NH1-OD2 3.05Å; R158-D187 VanDerWaalsContact NH2-CG 3.3Å; R158-D187 IonicContact NH2-OD1 3.76Å; R158-D187 PolarHBondContact NH2-OD1 3.49Å; R158-D187 IonicContact NH2-OD2 3.49Å; R158-D187 PolarHBondContact NH2-OD2 3.49Å; Q183-D187 VanDerWaalsContact O-CG 3.25Å; Q183-D187 PolarHBondContact O-N 3.36Å; V184-D187 PolarHBondContact O-N 3.36Å; D187-T190 PolarHBondContact O-N 2.87Å; D187-Q191 WeakPolarHBondContact O-CB 3.44Å; D187-Q191 PolarHBondContact O-N 3.22Å; D187-Y284 HydrophobicContact CB-CE1 4.03Å
188	Y	91.1	Very high	89.4	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.008	22%	0.217	C	C	.	.	I	π-helix	trans	-53.7	-58.7	168.1	164.9	-108.7	0	0	0	111.5	V184 N186 T190 Y192 G193 V196 L204 P241 F276 L280	V184-Y188 WeakPolarHBondContact O-CB 3.24Å; V184-Y188 PolarHBondContact O-N 3Å; N186-Y188 VanDerWaalsContact C-N 3.34Å; N186-Y188 PolarHBondContact O-N 3.05Å; Y188-T190 PolarHBondContact O-N 3.14Å; Y188-T190 VanDerWaalsContact O-N 3.15Å; Y188-Y192 CarbonylContact O-C 3.49Å; Y188-Y192 PolarHBondContact O-N 3.5Å; Y188-Y192 VanDerWaalsContact O-N 3.07Å; Y188-G193 WeakPolarHBondContact O-CA 3.41Å; Y188-G193 PolarHBondContact O-N 3.01Å; Y188-V196 HydrophobicContact CE2-CB 4.37Å; Y188-V196 HydrophobicContact CE2-CG2 3.9Å; Y188-L204 HydrophobicContact CD2-CD1 4.34Å; Y188-L204 HydrophobicContact CE1-CB 4.48Å; Y188-L204 HydrophobicContact CE1-CD1 4.1Å; Y188-L204 HydrophobicContact CE2-CD1 3.76Å; Y188-P241 WeakPolarHBondContact OH-CG 2.8Å; Y188-F276 HydrophobicContact CD1-CZ 4.01Å; Y188-F276 HydrophobicContact CE1-CZ 4.45Å; Y188-L280 HydrophobicContact CD2-CD1 3.7Å; Y188-L280 HydrophobicContact CE2-CD1 4.41Å; Y188-L280 HydrophobicContact CG-CD1 4.23Å; Y188-L280 HydrophobicContact CG-CD2 4.34Å
189	M	84.6	Confident	89.4	Confident	48 Å²	48	46.6 Å²	46.6	24%	0.236	23%	0.229	C	C	.	.	I	π-helix	trans	-64	-19.9	-175.5	-71	-66.5	-63.5	0	0	114.6	K185 N186	K185-M189 WeakPolarHBondContact O-CB 3.48Å; K185-M189 VanDerWaalsContact O-CG 3.24Å; K185-M189 WeakPolarHBondContact O-CG 3.46Å; K185-M189 PolarHBondContact O-N 3.44Å; N186-M189 PolarHBondContact O-N 3.48Å
190	T	82.4	Confident	89.4	Confident	75 Å²	75	47.7 Å²	47.7	46%	0.46	24%	0.236	S	C	.	.	I	π-helix	trans	-109.8	-14.4	-173.9	56	0	0	0	0	115.1	N186 D187 Y188	N186-T190 WeakPolarHBondContact O-CB 3.46Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.41Å; N186-T190 PolarHBondContact O-OG1 3.36Å; D187-T190 PolarHBondContact O-N 2.87Å; Y188-T190 PolarHBondContact O-N 3.14Å; Y188-T190 VanDerWaalsContact O-N 3.15Å
191	Q	82.3	Confident	89.2	Confident	85 Å²	85	47.6 Å²	47.6	40%	0.397	24%	0.236	S	C	.	.	I	π-helix	trans	-130.2	-34.8	-175	-58.6	175.4	58.9	0	0	113.5	D187 Q195	D187-Q191 WeakPolarHBondContact O-CB 3.44Å; D187-Q191 PolarHBondContact O-N 3.22Å; Q191-Q195 PolarHBondContact O-NE2 2.85Å
192	Y	83	Confident	89.3	Confident	73 Å²	73	47.5 Å²	47.5	29%	0.286	24%	0.236	S	C	.	.	I	π-helix	trans	-117.5	-23.7	-170.1	-60.8	-77.8	0	0	0	114.3	Y188 D194 Q195 V196 Y284	Y188-Y192 CarbonylContact O-C 3.49Å; Y188-Y192 PolarHBondContact O-N 3.5Å; Y188-Y192 VanDerWaalsContact O-N 3.07Å; Y192-D194 PolarHBondContact O-N 2.92Å; Y192-Q195 WeakPolarHBondContact O-CA 3.36Å; Y192-Q195 WeakPolarHBondContact O-CB 3.48Å; Y192-Q195 PolarHBondContact O-N 3.05Å; Y192-V196 WeakPolarHBondContact O-CG2 3.25Å; Y192-Y284 HydrophobicContact CD2-CD1 4.08Å; Y192-Y284 AromaticContact CD2-CD2 3.99Å; Y192-Y284 HydrophobicContact CD2-CD2 3.99Å; Y192-Y284 HydrophobicContact CD2-CE1 4.32Å; Y192-Y284 HydrophobicContact CD2-CE2 4.27Å; Y192-Y284 AromaticContact CD2-CG 3.92Å; Y192-Y284 HydrophobicContact CD2-CG 3.92Å; Y192-Y284 HydrophobicContact CE1-CD2 4.16Å; Y192-Y284 HydrophobicContact CE2-CD1 4.1Å; Y192-Y284 AromaticContact CE2-CD2 3.42Å; Y192-Y284 HydrophobicContact CE2-CD2 3.42Å; Y192-Y284 VanDerWaalsContact CE2-CD2 3.42Å; Y192-Y284 HydrophobicContact CE2-CE1 4.03Å; Y192-Y284 AromaticContact CE2-CE2 3.37Å; Y192-Y284 HydrophobicContact CE2-CE2 3.37Å; Y192-Y284 AromaticContact CE2-CG 3.82Å; Y192-Y284 HydrophobicContact CE2-CG 3.82Å; Y192-Y284 AromaticContact CE2-CZ 3.7Å; Y192-Y284 HydrophobicContact CG-CG 4.44Å; Y192-Y284 AromaticContact CZ-CD2 3.51Å; Y192-Y284 AromaticContact CZ-CE2 3.59Å; Y192-Y284 WeakPolarHBondContact OH-CE2 3.34Å
193	G	81.1	Confident	89.5	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.031	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-53.3	-46.4	-165.7	0	0	0	0	0	115	Y188 Q195 V196 P241	Y188-G193 WeakPolarHBondContact O-CA 3.41Å; Y188-G193 PolarHBondContact O-N 3.01Å; G193-Q195 PolarHBondContact O-N 3.14Å; G193-V196 PolarHBondContact O-N 3.16Å; G193-P241 VanDerWaalsContact O-CG 3.31Å; G193-P241 WeakPolarHBondContact O-CG 3.15Å
194	D	83	Confident	89.6	Confident	77 Å²	77	49.7 Å²	49.7	41%	0.412	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75.5	-8.9	-179.6	-56.6	-57.3	0	0	0	113.3	Y192 P241 K242 D243	Y192-D194 PolarHBondContact O-N 2.92Å; D194-P241 VanDerWaalsContact OD1-CB 3.23Å; D194-P241 WeakPolarHBondContact OD1-CB 3.41Å; D194-K242 PolarHBondContact OD1-N 2.89Å; D194-D243 HydrophobicContact CB-CB 4.08Å; D194-D243 PolarHBondContact OD1-N 2.85Å
195	Q	84.9	Confident	89.6	Confident	157 Å²	157	49.6 Å²	49.6	73%	0.734	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-93.1	-3.1	174.6	-55.1	178.5	53	0	0	113.1	Q191 Y192 G193	Q191-Q195 PolarHBondContact O-NE2 2.85Å; Y192-Q195 WeakPolarHBondContact O-CA 3.36Å; Y192-Q195 WeakPolarHBondContact O-CB 3.48Å; Y192-Q195 PolarHBondContact O-N 3.05Å; G193-Q195 PolarHBondContact O-N 3.14Å
196	V	89	Confident	89.8	Confident	19 Å²	19	47.9 Å²	47.9	12%	0.115	24%	0.237	C	C	.	.	S	Bend	trans	-95.9	143.1	-173.4	174.6	0	0	0	0	112	Y188 Y192 G193 Q198 V200 I283	Y188-V196 HydrophobicContact CE2-CB 4.37Å; Y188-V196 HydrophobicContact CE2-CG2 3.9Å; Y192-V196 WeakPolarHBondContact O-CG2 3.25Å; G193-V196 PolarHBondContact O-N 3.16Å; V196-Q198 PolarHBondContact O-N 3Å; V196-V200 HydrophobicContact CG1-CB 3.7Å; V196-V200 HydrophobicContact CG1-CG1 3.79Å; V196-I283 HydrophobicContact CG1-CD1 3.94Å; V196-I283 HydrophobicContact CG2-CG2 3.81Å
197	E	91.6	Very high	90.2	Very high	150 Å²	150	45.4 Å²	45.4	70%	0.701	22%	0.224	S	C	*	.			trans	-51.5	134.4	174.5	-65.7	-169.6	162	0	0	112.3	D199 V200 A201	E197-D199 PolarHBondContact O-N 2.9Å; E197-V200 PolarHBondContact O-N 3.47Å; E197-A201 PolarHBondContact O-N 3.39Å
198	Q	92.8	Very high	90.4	Very high	87 Å²	87	45.5 Å²	45.5	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-45.6	-42.3	179.9	159.9	167.9	3.2	0	0	113.1	V196 V200 A201 L202 L244	V196-Q198 PolarHBondContact O-N 3Å; Q198-V200 VanDerWaalsContact C-N 3.33Å; Q198-V200 PolarHBondContact O-N 2.97Å; Q198-A201 PolarHBondContact O-N 2.82Å; Q198-L202 HydrophobicContact CG-CD1 3.84Å; Q198-L202 WeakPolarHBondContact O-CB 3.2Å; Q198-L202 WeakPolarHBondContact O-CD1 3.29Å; Q198-L202 VanDerWaalsContact O-CG 3.24Å; Q198-L202 WeakPolarHBondContact O-CG 3.17Å; Q198-L202 PolarHBondContact O-N 3.35Å; Q198-L244 HydrophobicContact CB-CD1 4.19Å; Q198-L244 HydrophobicContact CG-CD1 3.68Å
199	D	92.9	Very high	90.4	Very high	84 Å²	84	45.4 Å²	45.4	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-72	-27	-175.5	-134.1	59.4	0	0	0	113	E197 K203	E197-D199 PolarHBondContact O-N 2.9Å; D199-K203 WeakPolarHBondContact O-CD 3.13Å; D199-K203 WeakPolarHBondContact O-CE 3.41Å; D199-K203 VanDerWaalsContact O-CG 3.23Å; D199-K203 WeakPolarHBondContact O-CG 3.48Å; D199-K203 PolarHBondContact O-N 2.79Å; D199-K203 PolarHBondContact O-NZ 3.16Å; D199-K203 IonicContact OD2-NZ 2.8Å; D199-K203 PolarHBondContact OD2-NZ 3.25Å
200	V	94.4	Very high	90.8	Very high	24 Å²	24	44.4 Å²	44.4	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-81.7	-44	173	178.1	0	0	0	0	110.6	V196 E197 Q198 L202 K203 L204 I279 I283	V196-V200 HydrophobicContact CG1-CB 3.7Å; V196-V200 HydrophobicContact CG1-CG1 3.79Å; E197-V200 PolarHBondContact O-N 3.47Å; Q198-V200 VanDerWaalsContact C-N 3.33Å; Q198-V200 PolarHBondContact O-N 2.97Å; V200-L202 VanDerWaalsContact C-N 3.25Å; V200-L202 PolarHBondContact O-N 2.96Å; V200-K203 PolarHBondContact O-N 3.45Å; V200-L204 HydrophobicContact CG1-CD1 3.89Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CG 2.93Å; V200-L204 PolarHBondContact O-N 3.29Å; V200-I279 HydrophobicContact CG1-CG2 3.61Å; V200-I283 HydrophobicContact CB-CD1 4.37Å; V200-I283 HydrophobicContact CG1-CD1 3.69Å; V200-I283 HydrophobicContact CG2-CD1 4.44Å
201	A	94.3	Very high	91.2	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-38.3	174.1	0	0	0	0	0	112	E197 Q198 G205 P241 L244	E197-A201 PolarHBondContact O-N 3.39Å; Q198-A201 PolarHBondContact O-N 2.82Å; A201-G205 PolarHBondContact O-N 3.15Å; A201-P241 HydrophobicContact CB-CG 4.14Å; A201-L244 HydrophobicContact CB-CD2 3.77Å
202	L	95.7	Very high	91.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-42.5	171.6	-78.8	166.3	0	0	0	112.9	Q198 V200 C206 F240 L244 L253 L256 I257	Q198-L202 HydrophobicContact CG-CD1 3.84Å; Q198-L202 WeakPolarHBondContact O-CB 3.2Å; Q198-L202 WeakPolarHBondContact O-CD1 3.29Å; Q198-L202 VanDerWaalsContact O-CG 3.24Å; Q198-L202 WeakPolarHBondContact O-CG 3.17Å; Q198-L202 PolarHBondContact O-N 3.35Å; V200-L202 VanDerWaalsContact C-N 3.25Å; V200-L202 PolarHBondContact O-N 2.96Å; L202-C206 VanDerWaalsContact O-CB 3.32Å; L202-C206 WeakPolarHBondContact O-CB 3.3Å; L202-C206 PolarHBondContact O-N 2.66Å; L202-C206 PolarHBondContact O-SG 3.36Å; L202-F240 HydrophobicContact CD2-CE1 4.27Å; L202-L244 HydrophobicContact CD2-CD2 4.13Å; L202-L244 HydrophobicContact CG-CD1 4.31Å; L202-L244 HydrophobicContact CG-CD2 3.99Å; L202-L253 HydrophobicContact CD2-CD1 4.23Å; L202-L256 HydrophobicContact CD1-CB 3.96Å; L202-L256 HydrophobicContact CD1-CD1 4.1Å; L202-L256 HydrophobicContact CD2-CB 4.16Å; L202-I257 HydrophobicContact CD2-CG1 4.03Å
203	K	96.8	Very high	91.2	Very high	61 Å²	61	35.4 Å²	35.4	27%	0.265	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-48.9	178.3	-73	159.8	-165.3	147.7	0	111.4	D199 V200 C206 L207 T260 I279	D199-K203 WeakPolarHBondContact O-CD 3.13Å; D199-K203 WeakPolarHBondContact O-CE 3.41Å; D199-K203 VanDerWaalsContact O-CG 3.23Å; D199-K203 WeakPolarHBondContact O-CG 3.48Å; D199-K203 PolarHBondContact O-N 2.79Å; D199-K203 PolarHBondContact O-NZ 3.16Å; D199-K203 IonicContact OD2-NZ 2.8Å; D199-K203 PolarHBondContact OD2-NZ 3.25Å; V200-K203 PolarHBondContact O-N 3.45Å; K203-C206 PolarHBondContact O-N 3.4Å; K203-L207 WeakPolarHBondContact O-CG 3.45Å; K203-L207 PolarHBondContact O-N 3.36Å; K203-T260 HydrophobicContact CB-CG2 4.5Å; K203-T260 HydrophobicContact CG-CG2 3.89Å; K203-I279 HydrophobicContact CB-CD1 4.45Å
204	L	96.4	Very high	91.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-46.1	178.6	-69	176.7	0	0	0	111.7	Y188 V200 L207 E208 F276 I279 L280	Y188-L204 HydrophobicContact CD2-CD1 4.34Å; Y188-L204 HydrophobicContact CE1-CB 4.48Å; Y188-L204 HydrophobicContact CE1-CD1 4.1Å; Y188-L204 HydrophobicContact CE2-CD1 3.76Å; V200-L204 HydrophobicContact CG1-CD1 3.89Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CG 2.93Å; V200-L204 PolarHBondContact O-N 3.29Å; L204-L207 WeakPolarHBondContact O-CB 3.44Å; L204-L207 PolarHBondContact O-N 2.91Å; L204-E208 PolarHBondContact O-N 2.87Å; L204-E208 VanDerWaalsContact O-N 3.16Å; L204-F276 HydrophobicContact CB-CD2 4.05Å; L204-F276 HydrophobicContact CB-CE2 3.64Å; L204-F276 HydrophobicContact CB-CZ 4.26Å; L204-F276 HydrophobicContact CD2-CB 4.41Å; L204-F276 HydrophobicContact CD2-CD1 4.13Å; L204-F276 HydrophobicContact CD2-CD2 3.6Å; L204-F276 HydrophobicContact CD2-CE1 4.27Å; L204-F276 HydrophobicContact CD2-CE2 3.78Å; L204-F276 HydrophobicContact CD2-CG 3.77Å; L204-F276 HydrophobicContact CD2-CZ 4.08Å; L204-F276 HydrophobicContact CG-CD2 4.42Å; L204-F276 HydrophobicContact CG-CE2 4.22Å; L204-F276 WeakPolarHBondContact O-CE2 3.34Å; L204-I279 HydrophobicContact CD2-CB 4.04Å; L204-I279 HydrophobicContact CD2-CG2 3.83Å; L204-I279 HydrophobicContact CG-CG2 4.19Å; L204-L280 HydrophobicContact CD1-CD1 4.41Å; L204-L280 HydrophobicContact CD2-CB 4.45Å
205	G	94.8	Very high	90.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-37.1	176.1	0	0	0	0	0	113.7	A201 L207 E208 I209 F239	A201-G205 PolarHBondContact O-N 3.15Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.97Å; G205-E208 PolarHBondContact O-N 2.75Å; G205-I209 VanDerWaalsContact O-CG1 3.26Å; G205-I209 WeakPolarHBondContact O-CG1 3.31Å; G205-I209 PolarHBondContact O-N 3.17Å; G205-F239 WeakPolarHBondContact CA-O 3.45Å
206	C	97.1	Very high	90.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-32.5	173.6	-71.5	0	0	0	0	113	L202 K203 R210 T260 V264	L202-C206 VanDerWaalsContact O-CB 3.32Å; L202-C206 WeakPolarHBondContact O-CB 3.3Å; L202-C206 PolarHBondContact O-N 2.66Å; L202-C206 PolarHBondContact O-SG 3.36Å; K203-C206 PolarHBondContact O-N 3.4Å; C206-R210 WeakPolarHBondContact O-CB 3.36Å; C206-R210 PolarHBondContact O-N 2.84Å; C206-T260 HydrophobicContact CB-CG2 4.06Å; C206-V264 HydrophobicContact CB-CG2 3.96Å
207	L	97.4	Very high	90.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-45.3	173.6	-73.3	165.8	0	0	0	111.8	K203 L204 G205 R210 R211 V264 L267 C272 K275 F276 I279	K203-L207 WeakPolarHBondContact O-CG 3.45Å; K203-L207 PolarHBondContact O-N 3.36Å; L204-L207 WeakPolarHBondContact O-CB 3.44Å; L204-L207 PolarHBondContact O-N 2.91Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.97Å; L207-R210 PolarHBondContact O-N 3.46Å; L207-R211 WeakPolarHBondContact O-CB 3.49Å; L207-R211 PolarHBondContact O-N 3.07Å; L207-V264 HydrophobicContact CD2-CB 3.98Å; L207-V264 HydrophobicContact CD2-CG1 3.53Å; L207-V264 HydrophobicContact CG-CG1 4.01Å; L207-L267 HydrophobicContact CD2-CD1 3.74Å; L207-C272 HydrophobicContact CD2-CB 4.38Å; L207-K275 HydrophobicContact CD1-CB 4.16Å; L207-K275 HydrophobicContact CD2-CB 4.2Å; L207-F276 HydrophobicContact CB-CD2 4.28Å; L207-F276 HydrophobicContact CD1-CB 4.14Å; L207-I279 HydrophobicContact CD1-CD1 3.95Å
208	E	93.4	Very high	90.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-38.5	174	175	67.4	136.5	0	0	111.6	Y181 K185 L204 G205 R210 R211 F212 F239	Y181-E208 PolarHBondContact OH-OE2 3.38Å; K185-E208 HydrophobicContact CD-CG 4.2Å; K185-E208 WeakPolarHBondContact CD-OE1 3.49Å; K185-E208 IonicContact NZ-OE1 3.55Å; K185-E208 PolarHBondContact NZ-OE1 3.47Å; L204-E208 PolarHBondContact O-N 2.87Å; L204-E208 VanDerWaalsContact O-N 3.16Å; G205-E208 PolarHBondContact O-N 2.75Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.99Å; E208-R211 PolarHBondContact O-N 3.33Å; E208-R211 IonicContact OE1-NH2 3.76Å; E208-R211 IonicContact OE2-CZ 3.49Å; E208-R211 IonicContact OE2-NE 2.69Å; E208-R211 PolarHBondContact OE2-NE 3.28Å; E208-R211 IonicContact OE2-NH2 2.74Å; E208-R211 PolarHBondContact OE2-NH2 3.02Å; E208-F212 WeakPolarHBondContact O-CB 3.37Å; E208-F212 PolarHBondContact O-N 3.07Å; E208-F239 HydrophobicContact CB-CD1 4.24Å; E208-F239 HydrophobicContact CG-CD1 3.7Å; E208-F239 HydrophobicContact CG-CE1 4.06Å
209	I	90.1	Very high	89.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-43	172.7	-68	163	0	0	0	110.5	G205 F213 M216 L221 L230 F239 F240 I257 F261	G205-I209 VanDerWaalsContact O-CG1 3.26Å; G205-I209 WeakPolarHBondContact O-CG1 3.31Å; G205-I209 PolarHBondContact O-N 3.17Å; I209-F213 HydrophobicContact CG2-CD2 4.14Å; I209-F213 WeakPolarHBondContact O-CB 3.34Å; I209-F213 WeakPolarHBondContact O-CD2 3.23Å; I209-F213 PolarHBondContact O-N 2.57Å; I209-F213 VanDerWaalsContact O-N 3.12Å; I209-M216 HydrophobicContact CG2-CE 4.18Å; I209-L221 HydrophobicContact CG2-CD1 4.08Å; I209-L230 HydrophobicContact CD1-CD2 4Å; I209-L230 HydrophobicContact CG2-CD2 4.48Å; I209-F239 HydrophobicContact CB-CD1 4.35Å; I209-F239 HydrophobicContact CD1-CB 4.2Å; I209-F239 HydrophobicContact CD1-CD1 4.48Å; I209-F239 HydrophobicContact CD1-CG 4.17Å; I209-F239 HydrophobicContact CG1-CB 3.98Å; I209-F239 HydrophobicContact CG1-CD1 3.4Å; I209-F239 VanDerWaalsContact CG1-CD1 3.4Å; I209-F239 HydrophobicContact CG1-CD2 4.08Å; I209-F239 HydrophobicContact CG1-CE1 3.84Å; I209-F239 HydrophobicContact CG1-CE2 4.45Å; I209-F239 HydrophobicContact CG1-CG 3.54Å; I209-F239 HydrophobicContact CG1-CZ 4.35Å; I209-F240 HydrophobicContact CD1-CE2 3.68Å; I209-F240 HydrophobicContact CD1-CZ 3.58Å; I209-I257 HydrophobicContact CD1-CG2 4.38Å; I209-F261 HydrophobicContact CB-CD2 4.48Å; I209-F261 HydrophobicContact CB-CE2 4.35Å; I209-F261 HydrophobicContact CG2-CD2 4.08Å; I209-F261 HydrophobicContact CG2-CE2 3.79Å
210	R	93.9	Very high	89.5	Confident	28 Å²	28	27.5 Å²	27.5	11%	0.106	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-42.9	178.7	176.5	64.9	-151.9	120	-4.7	111.8	C206 L207 E208 F213 K214 M216 F261 V264 A265 L267 C272	C206-R210 WeakPolarHBondContact O-CB 3.36Å; C206-R210 PolarHBondContact O-N 2.84Å; L207-R210 PolarHBondContact O-N 3.46Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.99Å; R210-F213 PolarHBondContact NH1-O 2.93Å; R210-F213 CarbonylContact O-C 3.57Å; R210-K214 PolarHBondContact NH1-O 3.27Å; R210-K214 PolarHBondContact NH2-O 3.24Å; R210-K214 PolarHBondContact O-N 3.12Å; R210-M216 PolarHBondContact NH1-O 3.3Å; R210-M216 VanDerWaalsContact NH1-O 3.11Å; R210-F261 HydrophobicContact CB-CE2 3.79Å; R210-F261 HydrophobicContact CB-CZ 4.35Å; R210-V264 HydrophobicContact CB-CG2 4.35Å; R210-V264 WeakPolarHBondContact CG-O 3.32Å; R210-A265 PolarHBondContact NE-O 3.3Å; R210-L267 PolarHBondContact NE-O 3.36Å; R210-L267 PolarHBondContact NH2-O 3.39Å; R210-C272 WeakPolarHBondContact CG-SG 3.29Å
211	R	90.9	Very high	89.3	Confident	9 Å²	9	26.6 Å²	26.6	3%	0.034	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-56.7	177.8	-164.9	-152.6	70	87.9	2.9	111.7	E76 H182 L207 E208 F213 K214 D269 C272	E76-R211 IonicContact OE1-CZ 3.25Å; E76-R211 IonicContact OE1-NH1 3.26Å; E76-R211 PolarHBondContact OE1-NH1 2.76Å; E76-R211 IonicContact OE1-NH2 2.82Å; E76-R211 PolarHBondContact OE1-NH2 3.07Å; H182-R211 PolarHBondContact CE1-NH2 3.14Å; L207-R211 WeakPolarHBondContact O-CB 3.49Å; L207-R211 PolarHBondContact O-N 3.07Å; E208-R211 PolarHBondContact O-N 3.33Å; E208-R211 IonicContact OE1-NH2 3.76Å; E208-R211 IonicContact OE2-CZ 3.49Å; E208-R211 IonicContact OE2-NE 2.69Å; E208-R211 PolarHBondContact OE2-NE 3.28Å; E208-R211 IonicContact OE2-NH2 2.74Å; E208-R211 PolarHBondContact OE2-NH2 3.02Å; R211-F213 VanDerWaalsContact C-N 3.25Å; R211-F213 PolarHBondContact O-N 3.02Å; R211-K214 PolarHBondContact O-N 3.47Å; R211-K214 VanDerWaalsContact O-N 3.13Å; R211-D269 WeakPolarHBondContact CG-OD1 3.33Å; R211-D269 IonicContact NH1-OD1 3.59Å; R211-C272 HydrophobicContact CB-CB 4.01Å; R211-C272 HydrophobicContact CG-CB 4.42Å
212	F	84.1	Confident	89.1	Confident	23 Å²	23	29.6 Å²	29.6	10%	0.101	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-33.8	-177.7	-172	-87.4	0	0	0	112.8	H81 E208 F239	H81-F212 AromaticContact CD2-CE2 3.85Å; H81-F212 AromaticContact NE2-CE2 3.78Å; E208-F212 WeakPolarHBondContact O-CB 3.37Å; E208-F212 PolarHBondContact O-N 3.07Å; F212-F239 HydrophobicContact CB-CE1 4.1Å; F212-F239 HydrophobicContact CD1-CE1 4.28Å; F212-F239 HydrophobicContact CD1-CZ 4.1Å; F212-F239 HydrophobicContact CE1-CZ 4.35Å; F212-F239 HydrophobicContact CG-CE1 4.12Å; F212-F239 HydrophobicContact CG-CZ 4.37Å
213	F	81.1	Confident	88.7	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.048	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	51.4	173.7	-59.9	-68.8	0	0	0	112.2	I209 R210 R211 E215 M216 L230 V234 F239 F646	I209-F213 HydrophobicContact CG2-CD2 4.14Å; I209-F213 WeakPolarHBondContact O-CB 3.34Å; I209-F213 WeakPolarHBondContact O-CD2 3.23Å; I209-F213 PolarHBondContact O-N 2.57Å; I209-F213 VanDerWaalsContact O-N 3.12Å; R210-F213 PolarHBondContact NH1-O 2.93Å; R210-F213 CarbonylContact O-C 3.57Å; R211-F213 VanDerWaalsContact C-N 3.25Å; R211-F213 PolarHBondContact O-N 3.02Å; F213-E215 VanDerWaalsContact C-N 3.25Å; F213-E215 PolarHBondContact O-N 3.15Å; F213-M216 HydrophobicContact CB-CB 3.77Å; F213-M216 HydrophobicContact CB-CE 4.1Å; F213-M216 HydrophobicContact CB-SD 4.26Å; F213-M216 WeakPolarHBondContact O-CB 3.37Å; F213-M216 PolarHBondContact O-N 3.43Å; F213-L230 HydrophobicContact CE2-CD1 3.71Å; F213-L230 HydrophobicContact CZ-CD1 4.38Å; F213-V234 HydrophobicContact CZ-CG1 4.15Å; F213-V234 HydrophobicContact CZ-CG2 4.17Å; F213-F239 AromaticContact CE2-CZ 3.87Å; F213-F239 HydrophobicContact CE2-CZ 3.87Å; F213-F646 HydrophobicContact CD1-CB 4.46Å; F213-F646 AromaticContact CD1-CD1 3.79Å; F213-F646 HydrophobicContact CD1-CD1 3.79Å; F213-F646 HydrophobicContact CE1-CB 4.02Å; F213-F646 AromaticContact CE1-CD1 3.68Å; F213-F646 HydrophobicContact CE1-CD1 3.68Å; F213-F646 HydrophobicContact CE1-CG 4.35Å; F213-F646 HydrophobicContact CG-CD1 4.31Å; F213-F646 HydrophobicContact CZ-CD1 4.09Å
214	K	80.6	Confident	88.1	Confident	102 Å²	102	35.6 Å²	35.6	44%	0.443	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.3	-177	64.8	-179.2	-173.9	171.8	0	116.3	R210 R211	R210-K214 PolarHBondContact NH1-O 3.27Å; R210-K214 PolarHBondContact NH2-O 3.24Å; R210-K214 PolarHBondContact O-N 3.12Å; R211-K214 PolarHBondContact O-N 3.47Å; R211-K214 VanDerWaalsContact O-N 3.13Å
215	E	75.7	Confident	87.4	Confident	111 Å²	111	37.1 Å²	37.1	52%	0.519	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.4	179.2	-48.3	-57.6	155.1	0	0	113.3	F213	F213-E215 VanDerWaalsContact C-N 3.25Å; F213-E215 PolarHBondContact O-N 3.15Å
216	M	83	Confident	86.9	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	18%	0.179	C	C	.	.	S	Bend	trans	-69.3	138.4	-178	-177.4	-178.2	70.6	0	0	111.2	I209 R210 F213 A220 L221 F261 F646	I209-M216 HydrophobicContact CG2-CE 4.18Å; R210-M216 PolarHBondContact NH1-O 3.3Å; R210-M216 VanDerWaalsContact NH1-O 3.11Å; F213-M216 HydrophobicContact CB-CB 3.77Å; F213-M216 HydrophobicContact CB-CE 4.1Å; F213-M216 HydrophobicContact CB-SD 4.26Å; F213-M216 WeakPolarHBondContact O-CB 3.37Å; F213-M216 PolarHBondContact O-N 3.43Å; M216-A220 HydrophobicContact CG-CB 3.33Å; M216-A220 HydrophobicContact SD-CB 3.81Å; M216-L221 HydrophobicContact CE-CD1 4.27Å; M216-L221 HydrophobicContact CE-CD2 4.02Å; M216-L221 HydrophobicContact CE-CG 3.94Å; M216-L221 HydrophobicContact SD-CD2 3.9Å; M216-L221 HydrophobicContact SD-CG 4.31Å; M216-F261 HydrophobicContact CE-CE1 3.98Å; M216-F261 HydrophobicContact CE-CE2 3.93Å; M216-F261 HydrophobicContact CE-CZ 3.38Å; M216-F646 HydrophobicContact SD-CD1 4.42Å; M216-F646 HydrophobicContact SD-CE1 3.48Å; M216-F646 WeakPolarHBondContact SD-CE1 3.42Å; M216-F646 HydrophobicContact SD-CZ 3.98Å
217	R	82	Confident	86.4	Confident	87 Å²	87	37.3 Å²	37.3	33%	0.328	18%	0.179	S	C	.	.			trans	-74.9	150	-179.4	-73.4	167.4	160.5	-117.7	-5.4	112.9	N219 A220 N679 E686	R217-N219 PolarHBondContact O-N 3.01Å; R217-N219 VanDerWaalsContact O-N 3.09Å; R217-A220 WeakPolarHBondContact O-CB 3.23Å; R217-A220 PolarHBondContact O-N 2.83Å; R217-N679 PolarHBondContact NH2-O 3.4Å; R217-E686 WeakPolarHBondContact CD-OE2 3.17Å
218	G	85	Confident	85.5	Confident	23 Å²	23	39.5 Å²	39.5	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.6	-175	0	0	0	0	0	116.4	F261	G218-F261 WeakPolarHBondContact O-CE1 3.19Å
219	N	87.1	Confident	84.5	Confident	86 Å²	86	40.3 Å²	40.3	46%	0.46	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.3	176.3	64.6	-22.5	0	0	0	113.5	R217 L221 D222	R217-N219 PolarHBondContact O-N 3.01Å; R217-N219 VanDerWaalsContact O-N 3.09Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.89Å; N219-D222 WeakPolarHBondContact O-CB 3.35Å; N219-D222 PolarHBondContact O-N 3.32Å
220	A	85.8	Confident	83.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.4	-34.9	-173.6	0	0	0	0	0	112.7	M216 R217 D222 K223 N226	M216-A220 HydrophobicContact CG-CB 3.33Å; M216-A220 HydrophobicContact SD-CB 3.81Å; R217-A220 WeakPolarHBondContact O-CB 3.23Å; R217-A220 PolarHBondContact O-N 2.83Å; A220-D222 VanDerWaalsContact C-N 3.25Å; A220-D222 PolarHBondContact O-N 3.34Å; A220-K223 PolarHBondContact O-N 3.26Å; A220-N226 WeakPolarHBondContact O-CB 3.47Å; A220-N226 PolarHBondContact O-ND2 2.98Å
221	L	90.8	Very high	83.1	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73.8	-9	178.6	-59.7	-175.7	0	0	0	114.1	I209 M216 N219 K223 L230 I257 Q258 F261	I209-L221 HydrophobicContact CG2-CD1 4.08Å; M216-L221 HydrophobicContact CE-CD1 4.27Å; M216-L221 HydrophobicContact CE-CD2 4.02Å; M216-L221 HydrophobicContact CE-CG 3.94Å; M216-L221 HydrophobicContact SD-CD2 3.9Å; M216-L221 HydrophobicContact SD-CG 4.31Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.89Å; L221-K223 VanDerWaalsContact C-N 3.26Å; L221-K223 PolarHBondContact O-N 2.81Å; L221-L230 HydrophobicContact CD1-CD2 4.43Å; L221-L230 HydrophobicContact CD2-CD2 4.22Å; L221-I257 HydrophobicContact CD1-CG2 4.45Å; L221-Q258 PolarHBondContact O-NE2 3Å; L221-F261 HydrophobicContact CD1-CB 4.12Å; L221-F261 HydrophobicContact CD1-CD1 3.88Å; L221-F261 HydrophobicContact CD1-CD2 3.82Å; L221-F261 HydrophobicContact CD1-CE1 4.27Å; L221-F261 HydrophobicContact CD1-CE2 4.21Å; L221-F261 HydrophobicContact CD1-CG 3.65Å; L221-F261 HydrophobicContact CD1-CZ 4.44Å; L221-F261 HydrophobicContact CG-CD1 4.3Å; L221-F261 HydrophobicContact CG-CE1 4.43Å
222	D	89.1	Confident	82	Confident	66 Å²	66	47.6 Å²	47.6	35%	0.353	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-64.8	-35.2	170.4	-76.3	-42.7	0	0	0	111.2	N219 A220 K224 R254 Q258 K262	N219-D222 WeakPolarHBondContact O-CB 3.35Å; N219-D222 PolarHBondContact O-N 3.32Å; A220-D222 VanDerWaalsContact C-N 3.25Å; A220-D222 PolarHBondContact O-N 3.34Å; D222-K224 PolarHBondContact O-N 3.44Å; D222-R254 PolarHBondContact O-NH2 3.02Å; D222-Q258 PolarHBondContact O-NE2 3.15Å; D222-K262 WeakPolarHBondContact OD1-CE 3.41Å; D222-K262 IonicContact OD1-NZ 1.77Å; D222-K262 PolarHBondContact OD1-NZ 3.33Å; D222-K262 WeakPolarHBondContact OD2-CE 3.48Å; D222-K262 IonicContact OD2-NZ 3.1Å; D222-K262 PolarHBondContact OD2-NZ 3.42Å
223	K	86.9	Confident	80.9	Confident	58 Å²	58	49.2 Å²	49.2	25%	0.252	24%	0.237	S	C	.	.	S	Bend	trans	-67.4	128.5	180	-64.9	-175.4	174.6	-176.3	0	110.9	A220 L221 S225 N226 Y227 E686 Y711	A220-K223 PolarHBondContact O-N 3.26Å; L221-K223 VanDerWaalsContact C-N 3.26Å; L221-K223 PolarHBondContact O-N 2.81Å; K223-S225 PolarHBondContact O-N 2.83Å; K223-N226 HydrophobicContact CB-CB 4.08Å; K223-N226 PolarHBondContact O-N 3.16Å; K223-Y227 PolarHBondContact O-N 3.39Å; K223-Y227 VanDerWaalsContact O-N 3.13Å; K223-E686 VanDerWaalsContact NZ-CA 3.32Å; K223-E686 VanDerWaalsContact NZ-CB 3.33Å; K223-E686 PolarHBondContact NZ-O 2.64Å; K223-Y711 HydrophobicContact CD-CE1 3.79Å; K223-Y711 HydrophobicContact CD-CE2 4.4Å
224	K	85.8	Confident	80.4	Confident	128 Å²	128	49.6 Å²	49.6	56%	0.557	24%	0.24	S	C	*	.	H	α-helix	trans	-57.2	-47.8	-176.6	168.8	169.2	175.9	-175.4	0	113.3	D222 N226 Y227 E228	D222-K224 PolarHBondContact O-N 3.44Å; K224-N226 PolarHBondContact O-N 2.94Å; K224-Y227 PolarHBondContact O-N 2.85Å; K224-E228 WeakPolarHBondContact CE-OE1 3.43Å; K224-E228 WeakPolarHBondContact CE-OE2 3.37Å; K224-E228 HydrophobicContact CG-CG 4.28Å; K224-E228 WeakPolarHBondContact CG-OE2 3.39Å; K224-E228 IonicContact NZ-OE1 3.73Å; K224-E228 WeakPolarHBondContact O-CB 3.28Å; K224-E228 WeakPolarHBondContact O-CG 3.43Å; K224-E228 PolarHBondContact O-N 2.77Å
225	S	80.4	Confident	80	Confident	33 Å²	33	46 Å²	46	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-38.9	179.2	52.3	0	0	0	0	113.1	K223 E228 L229	K223-S225 PolarHBondContact O-N 2.83Å; S225-E228 PolarHBondContact O-N 2.79Å; S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 3.41Å
226	N	84.1	Confident	80.1	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-41.2	177	-72.7	11.6	0	0	0	112	A220 K223 K224 L230 F646 Y711	A220-N226 WeakPolarHBondContact O-CB 3.47Å; A220-N226 PolarHBondContact O-ND2 2.98Å; K223-N226 HydrophobicContact CB-CB 4.08Å; K223-N226 PolarHBondContact O-N 3.16Å; K224-N226 PolarHBondContact O-N 2.94Å; N226-L230 PolarHBondContact O-N 3.44Å; N226-F646 HydrophobicContact CB-CE2 4.24Å; N226-F646 HydrophobicContact CB-CZ 3.82Å; N226-Y711 VanDerWaalsContact CG-OH 3.31Å; N226-Y711 PolarHBondContact ND2-OH 3.36Å; N226-Y711 WeakPolarHBondContact OD1-CE1 3.27Å; N226-Y711 PolarHBondContact OD1-OH 3.45Å
227	Y	87.1	Confident	79.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-40.9	175	179.7	-84	0	0	0	112.1	K223 K224 L229 L230 E231 R254 I257	K223-Y227 PolarHBondContact O-N 3.39Å; K223-Y227 VanDerWaalsContact O-N 3.13Å; K224-Y227 PolarHBondContact O-N 2.85Å; Y227-L229 PolarHBondContact O-N 3.32Å; Y227-L230 WeakPolarHBondContact O-CB 3.34Å; Y227-L230 PolarHBondContact O-N 2.96Å; Y227-L230 VanDerWaalsContact O-N 3.09Å; Y227-E231 HydrophobicContact CD1-CB 4.32Å; Y227-E231 HydrophobicContact CE1-CB 3.89Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 WeakPolarHBondContact CE1-OE1 3.49Å; Y227-E231 WeakPolarHBondContact O-CB 3.48Å; Y227-E231 PolarHBondContact O-N 3.49Å; Y227-R254 HydrophobicContact CD1-CB 4.34Å; Y227-R254 VanDerWaalsContact CD1-CD 3.49Å; Y227-R254 HydrophobicContact CD1-CG 3.78Å; Y227-R254 HydrophobicContact CD2-CG 3.89Å; Y227-R254 HydrophobicContact CE1-CB 3.68Å; Y227-R254 HydrophobicContact CE1-CG 3.64Å; Y227-R254 HydrophobicContact CE2-CB 3.96Å; Y227-R254 HydrophobicContact CE2-CG 3.76Å; Y227-R254 HydrophobicContact CG-CG 3.91Å; Y227-R254 VanDerWaalsContact CZ-CB 3.48Å; Y227-R254 WeakPolarHBondContact OH-CA 3.45Å; Y227-I257 HydrophobicContact CE2-CB 4.34Å; Y227-I257 HydrophobicContact CE2-CD1 4.2Å; Y227-I257 HydrophobicContact CE2-CG2 4.26Å
228	E	79.3	Confident	79.7	Confident	49 Å²	49	46.7 Å²	46.7	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-30.9	178.3	-76	178.8	127.8	0	0	112.5	K224 S225 E231 K232	K224-E228 WeakPolarHBondContact CE-OE1 3.43Å; K224-E228 WeakPolarHBondContact CE-OE2 3.37Å; K224-E228 HydrophobicContact CG-CG 4.28Å; K224-E228 WeakPolarHBondContact CG-OE2 3.39Å; K224-E228 IonicContact NZ-OE1 3.73Å; K224-E228 WeakPolarHBondContact O-CB 3.28Å; K224-E228 WeakPolarHBondContact O-CG 3.43Å; K224-E228 PolarHBondContact O-N 2.77Å; S225-E228 PolarHBondContact O-N 2.79Å; E228-E231 PolarHBondContact O-N 2.95Å; E228-K232 WeakPolarHBondContact O-CB 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.23Å; E228-K232 PolarHBondContact O-N 3.28Å; E228-K232 IonicContact OE1-NZ 3.92Å; E228-K232 PolarHBondContact OE1-NZ 3.35Å; E228-K232 VanDerWaalsContact OE1-NZ 3.1Å
229	L	72.9	Confident	79.8	Confident	20 Å²	20	45.9 Å²	45.9	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-47.8	169.7	-172.1	82	0	0	0	111.9	S225 Y227 E231 D233 V234 F646 R648	S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 3.41Å; Y227-L229 PolarHBondContact O-N 3.32Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3.41Å; L229-D233 HydrophobicContact CD1-CB 4Å; L229-D233 HydrophobicContact CG-CB 4.42Å; L229-D233 WeakPolarHBondContact O-CA 3.44Å; L229-D233 WeakPolarHBondContact O-CB 3.47Å; L229-D233 PolarHBondContact O-N 2.84Å; L229-V234 PolarHBondContact O-N 3.07Å; L229-F646 HydrophobicContact CD2-CB 3.69Å; L229-F646 HydrophobicContact CD2-CD1 3.99Å; L229-F646 HydrophobicContact CD2-CD2 3.22Å; L229-F646 HydrophobicContact CD2-CE1 4.46Å; L229-F646 HydrophobicContact CD2-CE2 3.8Å; L229-F646 HydrophobicContact CD2-CG 3.34Å; L229-F646 HydrophobicContact CD2-CZ 4.39Å; L229-R648 VanDerWaalsContact CD1-NH1 3.27Å
230	L	75.4	Confident	79.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.199	C	C	.	.	I	π-helix	trans	-60.9	-39.5	176.6	-175.8	71.5	0	0	0	111.5	I209 F213 L221 N226 Y227 V234 G235 L236 F239	I209-L230 HydrophobicContact CD1-CD2 4Å; I209-L230 HydrophobicContact CG2-CD2 4.48Å; F213-L230 HydrophobicContact CE2-CD1 3.71Å; F213-L230 HydrophobicContact CZ-CD1 4.38Å; L221-L230 HydrophobicContact CD1-CD2 4.43Å; L221-L230 HydrophobicContact CD2-CD2 4.22Å; N226-L230 PolarHBondContact O-N 3.44Å; Y227-L230 WeakPolarHBondContact O-CB 3.34Å; Y227-L230 PolarHBondContact O-N 2.96Å; Y227-L230 VanDerWaalsContact O-N 3.09Å; L230-V234 HydrophobicContact CD1-CB 4.4Å; L230-G235 PolarHBondContact O-N 3.14Å; L230-G235 VanDerWaalsContact O-N 3.14Å; L230-L236 HydrophobicContact CD2-CD2 4.2Å; L230-L236 HydrophobicContact CG-CD2 3.94Å; L230-F239 HydrophobicContact CD1-CD2 4.18Å; L230-F239 HydrophobicContact CD1-CE2 3.58Å; L230-F239 HydrophobicContact CD1-CZ 4.1Å
231	E	77.4	Confident	79.9	Confident	55 Å²	55	42 Å²	42	26%	0.257	20%	0.201	S	C	.	.	I	π-helix	trans	-72.2	-48.9	-177.5	-177.5	172.3	-113.8	0	0	113.1	Y227 E228 L229 L236	Y227-E231 HydrophobicContact CD1-CB 4.32Å; Y227-E231 HydrophobicContact CE1-CB 3.89Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 WeakPolarHBondContact CE1-OE1 3.49Å; Y227-E231 WeakPolarHBondContact O-CB 3.48Å; Y227-E231 PolarHBondContact O-N 3.49Å; E228-E231 PolarHBondContact O-N 2.95Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3.41Å; E231-L236 HydrophobicContact CG-CD1 4.34Å
232	K	69.1	Low	79.4	Confident	134 Å²	134	47 Å²	47	58%	0.583	22%	0.222	S	C	*	.	I	π-helix	trans	-99.4	-34.8	-168.3	-61	172.5	-172.6	167	0	114	E228	E228-K232 WeakPolarHBondContact O-CB 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.23Å; E228-K232 PolarHBondContact O-N 3.28Å; E228-K232 IonicContact OE1-NZ 3.92Å; E228-K232 PolarHBondContact OE1-NZ 3.35Å; E228-K232 VanDerWaalsContact OE1-NZ 3.1Å
233	D	61.1	Low	79.1	Confident	58 Å²	58	47.9 Å²	47.9	31%	0.31	23%	0.227	S	C	.	.	I	π-helix	trans	-103.4	-37	-171.4	-62.8	-91.6	0	0	0	112.7	L229 S625 Y626 R648	L229-D233 HydrophobicContact CD1-CB 4Å; L229-D233 HydrophobicContact CG-CB 4.42Å; L229-D233 WeakPolarHBondContact O-CA 3.44Å; L229-D233 WeakPolarHBondContact O-CB 3.47Å; L229-D233 PolarHBondContact O-N 2.84Å; D233-S625 PolarHBondContact OD1-OG 3.33Å; D233-S625 VanDerWaalsContact OD1-OG 3.06Å; D233-Y626 HydrophobicContact CB-CD1 4.48Å; D233-Y626 HydrophobicContact CB-CE1 3.81Å; D233-Y626 WeakPolarHBondContact O-CE1 3.42Å; D233-Y626 PolarHBondContact O-OH 2.94Å; D233-R648 IonicContact OD1-CZ 3.05Å; D233-R648 IonicContact OD1-NH1 3.01Å; D233-R648 PolarHBondContact OD1-NH1 2.88Å; D233-R648 IonicContact OD1-NH2 2.66Å; D233-R648 IonicContact OD2-NH1 3.3Å
234	V	69.2	Low	79.1	Confident	18 Å²	18	45.6 Å²	45.6	11%	0.109	22%	0.217	C	C	.	.	I	π-helix	trans	-89.4	-30.3	177.1	-169.8	0	0	0	0	112.1	F213 L229 L230 F239	F213-V234 HydrophobicContact CZ-CG1 4.15Å; F213-V234 HydrophobicContact CZ-CG2 4.17Å; L229-V234 PolarHBondContact O-N 3.07Å; L230-V234 HydrophobicContact CD1-CB 4.4Å; V234-F239 HydrophobicContact CG1-CE2 3.71Å; V234-F239 HydrophobicContact CG1-CZ 3.96Å
235	G	72.3	Confident	79.1	Confident	27 Å²	27	40.8 Å²	40.8	28%	0.278	20%	0.198	S	C	.	.	I	π-helix	trans	79.8	117.9	178.8	0	0	0	0	0	113.8	L230 R237 R238	L230-G235 PolarHBondContact O-N 3.14Å; L230-G235 VanDerWaalsContact O-N 3.14Å; G235-R237 PolarHBondContact O-N 3.46Å; G235-R238 WeakPolarHBondContact O-CB 3.01Å; G235-R238 PolarHBondContact O-N 2.85Å; G235-R238 VanDerWaalsContact O-N 3.15Å
236	L	79.3	Confident	79.2	Confident	17 Å²	17	43.8 Å²	43.8	9%	0.089	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.5	-178.6	-59.8	-176.7	0	0	0	113.7	L230 E231 R238 F239 F240 L245 L253 I257	L230-L236 HydrophobicContact CD2-CD2 4.2Å; L230-L236 HydrophobicContact CG-CD2 3.94Å; E231-L236 HydrophobicContact CG-CD1 4.34Å; L236-R238 PolarHBondContact O-N 3.44Å; L236-F239 PolarHBondContact O-N 2.94Å; L236-F240 HydrophobicContact CB-CD2 4.2Å; L236-F240 HydrophobicContact CD2-CE2 4.46Å; L236-F240 PolarHBondContact O-N 3.39Å; L236-L245 HydrophobicContact CB-CD1 3.95Å; L236-L245 HydrophobicContact CB-CD2 3.65Å; L236-L245 HydrophobicContact CB-CG 4.48Å; L236-L245 HydrophobicContact CD1-CD2 4.06Å; L236-L253 HydrophobicContact CD1-CD2 3.76Å; L236-I257 HydrophobicContact CD1-CD1 4.41Å; L236-I257 HydrophobicContact CD2-CD1 4.5Å
237	R	78.8	Confident	79.4	Confident	133 Å²	133	47.5 Å²	47.5	50%	0.502	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-59.8	-15.2	175.7	-76.4	-177.9	176.3	175.5	0.7	113.9	G235 F239 L245 D246	G235-R237 PolarHBondContact O-N 3.46Å; R237-F239 VanDerWaalsContact C-N 3.3Å; R237-L245 HydrophobicContact CB-CD1 4.16Å; R237-L245 HydrophobicContact CG-CD1 3.44Å; R237-L245 VanDerWaalsContact CG-CD1 3.44Å; R237-D246 IonicContact NH2-OD1 3.91Å; R237-D246 PolarHBondContact NH2-OD1 3.01Å; R237-D246 IonicContact NH2-OD2 3.05Å; R237-D246 PolarHBondContact NH2-OD2 3.45Å
238	R	77.9	Confident	79.5	Confident	65 Å²	65	48.3 Å²	48.3	25%	0.245	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-76.2	-16.7	173.8	-161.2	174.2	-170.7	154.6	2.1	113.6	H81 G235 L236	H81-R238 PolarHBondContact CD2-NH2 3.12Å; H81-R238 VanDerWaalsContact CG-NH2 3.3Å; G235-R238 WeakPolarHBondContact O-CB 3.01Å; G235-R238 PolarHBondContact O-N 2.85Å; G235-R238 VanDerWaalsContact O-N 3.15Å; L236-R238 PolarHBondContact O-N 3.44Å
239	F	87.1	Confident	80.1	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-25.7	-172.9	-55.9	-76.6	0	0	0	113.6	G205 E208 I209 F212 F213 L230 V234 L236 R237	G205-F239 WeakPolarHBondContact CA-O 3.45Å; E208-F239 HydrophobicContact CB-CD1 4.24Å; E208-F239 HydrophobicContact CG-CD1 3.7Å; E208-F239 HydrophobicContact CG-CE1 4.06Å; I209-F239 HydrophobicContact CB-CD1 4.35Å; I209-F239 HydrophobicContact CD1-CB 4.2Å; I209-F239 HydrophobicContact CD1-CD1 4.48Å; I209-F239 HydrophobicContact CD1-CG 4.17Å; I209-F239 HydrophobicContact CG1-CB 3.98Å; I209-F239 HydrophobicContact CG1-CD1 3.4Å; I209-F239 VanDerWaalsContact CG1-CD1 3.4Å; I209-F239 HydrophobicContact CG1-CD2 4.08Å; I209-F239 HydrophobicContact CG1-CE1 3.84Å; I209-F239 HydrophobicContact CG1-CE2 4.45Å; I209-F239 HydrophobicContact CG1-CG 3.54Å; I209-F239 HydrophobicContact CG1-CZ 4.35Å; F212-F239 HydrophobicContact CB-CE1 4.1Å; F212-F239 HydrophobicContact CD1-CE1 4.28Å; F212-F239 HydrophobicContact CD1-CZ 4.1Å; F212-F239 HydrophobicContact CE1-CZ 4.35Å; F212-F239 HydrophobicContact CG-CE1 4.12Å; F212-F239 HydrophobicContact CG-CZ 4.37Å; F213-F239 AromaticContact CE2-CZ 3.87Å; F213-F239 HydrophobicContact CE2-CZ 3.87Å; L230-F239 HydrophobicContact CD1-CD2 4.18Å; L230-F239 HydrophobicContact CD1-CE2 3.58Å; L230-F239 HydrophobicContact CD1-CZ 4.1Å; V234-F239 HydrophobicContact CG1-CE2 3.71Å; V234-F239 HydrophobicContact CG1-CZ 3.96Å; L236-F239 PolarHBondContact O-N 2.94Å; R237-F239 VanDerWaalsContact C-N 3.3Å
240	F	88.5	Confident	80.6	Confident	1 Å²	1	56 Å²	56	0%	0.004	28%	0.284	C	S	.	.	S	Bend	trans	-130	144.5	-172.2	-59.3	-72.3	0	0	0	111.3	L202 I209 L236 L244 L245 I257	L202-F240 HydrophobicContact CD2-CE1 4.27Å; I209-F240 HydrophobicContact CD1-CE2 3.68Å; I209-F240 HydrophobicContact CD1-CZ 3.58Å; L236-F240 HydrophobicContact CB-CD2 4.2Å; L236-F240 HydrophobicContact CD2-CE2 4.46Å; L236-F240 PolarHBondContact O-N 3.39Å; F240-L244 HydrophobicContact CB-CD2 4.09Å; F240-L244 HydrophobicContact CD1-CD2 3.74Å; F240-L244 HydrophobicContact CG-CD2 4.2Å; F240-L245 HydrophobicContact CB-CD1 4.19Å; F240-L245 HydrophobicContact CB-CD2 3.88Å; F240-L245 HydrophobicContact CB-CG 4.01Å; F240-L245 HydrophobicContact CD2-CD2 4.2Å; F240-L245 HydrophobicContact CG-CD2 4.33Å; F240-I257 HydrophobicContact CD2-CD1 4.32Å; F240-I257 HydrophobicContact CE1-CG1 4.44Å; F240-I257 HydrophobicContact CE2-CD1 3.52Å; F240-I257 HydrophobicContact CE2-CG1 4.04Å; F240-I257 HydrophobicContact CZ-CD1 3.75Å; F240-I257 HydrophobicContact CZ-CG1 3.71Å; F240-I257 HydrophobicContact CZ-CG2 4.42Å
241	P	86.2	Confident	81.3	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.032	32%	0.321	C	S	.	.			trans	-55.6	158.1	172	-23.3	33.5	0	0	0	112.5	Y188 G193 D194 A201 L245	Y188-P241 WeakPolarHBondContact OH-CG 2.8Å; G193-P241 VanDerWaalsContact O-CG 3.31Å; G193-P241 WeakPolarHBondContact O-CG 3.15Å; D194-P241 VanDerWaalsContact OD1-CB 3.23Å; D194-P241 WeakPolarHBondContact OD1-CB 3.41Å; A201-P241 HydrophobicContact CB-CG 4.14Å; P241-L245 WeakPolarHBondContact O-CG 3.35Å
242	K	79.1	Confident	82.1	Confident	108 Å²	108	65.5 Å²	65.5	47%	0.47	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-45.5	-176	-178.2	-171.9	166.6	-167.2	0	110.8	D194 L244 L245 D246	D194-K242 PolarHBondContact OD1-N 2.89Å; K242-L244 VanDerWaalsContact C-N 3.27Å; K242-L244 PolarHBondContact O-N 2.69Å; K242-L245 PolarHBondContact O-N 3.4Å; K242-D246 WeakPolarHBondContact CE-OD2 3.47Å; K242-D246 PolarHBondContact O-N 3.37Å
243	D	84.1	Confident	83.1	Confident	85 Å²	85	59.3 Å²	59.3	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-27.5	-172.2	-76.3	8.6	0	0	0	112.1	D194 S247	D194-D243 HydrophobicContact CB-CB 4.08Å; D194-D243 PolarHBondContact OD1-N 2.85Å; D243-S247 WeakPolarHBondContact O-CB 3.37Å; D243-S247 PolarHBondContact O-N 3.22Å; D243-S247 PolarHBondContact O-OG 3.16Å
244	L	87.1	Confident	84.7	Confident	10 Å²	10	59 Å²	59	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-35.6	170.5	174.8	58.6	0	0	0	112.7	Q198 A201 L202 F240 K242 V248	Q198-L244 HydrophobicContact CB-CD1 4.19Å; Q198-L244 HydrophobicContact CG-CD1 3.68Å; A201-L244 HydrophobicContact CB-CD2 3.77Å; L202-L244 HydrophobicContact CD2-CD2 4.13Å; L202-L244 HydrophobicContact CG-CD1 4.31Å; L202-L244 HydrophobicContact CG-CD2 3.99Å; F240-L244 HydrophobicContact CB-CD2 4.09Å; F240-L244 HydrophobicContact CD1-CD2 3.74Å; F240-L244 HydrophobicContact CG-CD2 4.2Å; K242-L244 VanDerWaalsContact C-N 3.27Å; K242-L244 PolarHBondContact O-N 2.69Å; L244-V248 HydrophobicContact CD1-CG2 4.02Å; L244-V248 WeakPolarHBondContact O-CG2 3.28Å; L244-V248 PolarHBondContact O-N 2.81Å
245	L	85.4	Confident	85.9	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-81.6	-39.8	-177.4	-61.6	174.8	0	0	0	111.8	L236 R237 F240 P241 K242 L253	L236-L245 HydrophobicContact CB-CD1 3.95Å; L236-L245 HydrophobicContact CB-CD2 3.65Å; L236-L245 HydrophobicContact CB-CG 4.48Å; L236-L245 HydrophobicContact CD1-CD2 4.06Å; R237-L245 HydrophobicContact CB-CD1 4.16Å; R237-L245 HydrophobicContact CG-CD1 3.44Å; R237-L245 VanDerWaalsContact CG-CD1 3.44Å; F240-L245 HydrophobicContact CB-CD1 4.19Å; F240-L245 HydrophobicContact CB-CD2 3.88Å; F240-L245 HydrophobicContact CB-CG 4.01Å; F240-L245 HydrophobicContact CD2-CD2 4.2Å; F240-L245 HydrophobicContact CG-CD2 4.33Å; P241-L245 WeakPolarHBondContact O-CG 3.35Å; K242-L245 PolarHBondContact O-N 3.4Å; L245-L253 HydrophobicContact CD2-CD2 3.55Å
246	D	82.9	Confident	87.1	Confident	95 Å²	95	65.4 Å²	65.4	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-77.9	-25.4	-178.4	-67.1	9.5	0	0	0	111.3	R237 K242	R237-D246 IonicContact NH2-OD1 3.91Å; R237-D246 PolarHBondContact NH2-OD1 3.01Å; R237-D246 IonicContact NH2-OD2 3.05Å; R237-D246 PolarHBondContact NH2-OD2 3.45Å; K242-D246 WeakPolarHBondContact CE-OD2 3.47Å; K242-D246 PolarHBondContact O-N 3.37Å
247	S	87.7	Confident	87.9	Confident	84 Å²	84	64.6 Å²	64.6	59%	0.587	32%	0.315	S	S	*	.	H	α-helix	trans	-84.7	-27.5	176.9	63.7	0	0	0	0	115.6	D243	D243-S247 WeakPolarHBondContact O-CB 3.37Å; D243-S247 PolarHBondContact O-N 3.22Å; D243-S247 PolarHBondContact O-OG 3.16Å
248	V	89.8	Confident	88.6	Confident	17 Å²	17	59.7 Å²	59.7	10%	0.103	30%	0.298	C	S	.	.	S	Bend	trans	-108.2	113.8	-172.7	-172.1	0	0	0	0	112.2	L244 A250 T252 L253 L256	L244-V248 HydrophobicContact CD1-CG2 4.02Å; L244-V248 WeakPolarHBondContact O-CG2 3.28Å; L244-V248 PolarHBondContact O-N 2.81Å; V248-A250 PolarHBondContact O-N 2.89Å; V248-T252 HydrophobicContact CG1-CG2 4.17Å; V248-L253 HydrophobicContact CB-CB 4.2Å; V248-L253 HydrophobicContact CB-CD1 4.38Å; V248-L253 HydrophobicContact CG1-CB 3.78Å; V248-L253 HydrophobicContact CG1-CD1 4.46Å; V248-L256 HydrophobicContact CG1-CD1 4.22Å
249	K	90.3	Very high	89.5	Confident	176 Å²	176	62.6 Å²	62.6	77%	0.765	31%	0.314	S	S	*	.			trans	-48.3	125.7	175.5	-66.8	-179.1	179.7	178	0	111.8	K251 T252 L253	K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 2.99Å; K249-T252 WeakPolarHBondContact O-CA 3.31Å; K249-T252 WeakPolarHBondContact O-CB 3.41Å; K249-T252 PolarHBondContact O-N 3.48Å; K249-L253 PolarHBondContact O-N 2.9Å
250	A	84.2	Confident	89.9	Confident	54 Å²	54	62.8 Å²	62.8	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-46.2	-42.6	-171.2	0	0	0	0	0	115.7	V248 T252 L253 R254	V248-A250 PolarHBondContact O-N 2.89Å; A250-T252 VanDerWaalsContact C-N 3.27Å; A250-T252 PolarHBondContact O-N 2.84Å; A250-L253 PolarHBondContact O-N 3.37Å; A250-R254 VanDerWaalsContact O-CB 3.32Å; A250-R254 WeakPolarHBondContact O-CB 3.34Å; A250-R254 PolarHBondContact O-N 2.99Å
251	K	89.4	Confident	90.3	Very high	181 Å²	181	62.9 Å²	62.9	79%	0.787	32%	0.316	S	S	*	.	H	α-helix	trans	-63.8	-29	177.4	-173.5	176.6	178.6	-179	0	113.6	K249	K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 2.99Å
252	T	94.3	Very high	90.7	Very high	75 Å²	75	67.8 Å²	67.8	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-82.8	-47.6	173.5	-56.5	0	0	0	0	110.5	V248 K249 A250 R254 K255 L256	V248-T252 HydrophobicContact CG1-CG2 4.17Å; K249-T252 WeakPolarHBondContact O-CA 3.31Å; K249-T252 WeakPolarHBondContact O-CB 3.41Å; K249-T252 PolarHBondContact O-N 3.48Å; A250-T252 VanDerWaalsContact C-N 3.27Å; A250-T252 PolarHBondContact O-N 2.84Å; T252-R254 VanDerWaalsContact C-N 3.27Å; T252-R254 PolarHBondContact O-N 2.81Å; T252-K255 WeakPolarHBondContact O-CB 3.48Å; T252-K255 PolarHBondContact O-N 2.65Å; T252-L256 HydrophobicContact CG2-CD1 4.31Å; T252-L256 PolarHBondContact O-N 2.78Å; T252-L256 VanDerWaalsContact O-N 3.08Å
253	L	91.3	Very high	91.4	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-52.4	-46	176.5	178.5	63.9	0	0	0	111.3	L202 L236 L245 V248 K249 A250 K255 L256 I257	L202-L253 HydrophobicContact CD2-CD1 4.23Å; L236-L253 HydrophobicContact CD1-CD2 3.76Å; L245-L253 HydrophobicContact CD2-CD2 3.55Å; V248-L253 HydrophobicContact CB-CB 4.2Å; V248-L253 HydrophobicContact CB-CD1 4.38Å; V248-L253 HydrophobicContact CG1-CB 3.78Å; V248-L253 HydrophobicContact CG1-CD1 4.46Å; K249-L253 PolarHBondContact O-N 2.9Å; A250-L253 PolarHBondContact O-N 3.37Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.16Å; L253-L256 PolarHBondContact O-N 2.87Å; L253-L256 VanDerWaalsContact O-N 3.14Å; L253-I257 HydrophobicContact CD1-CD1 4.01Å; L253-I257 HydrophobicContact CD1-CG1 4.28Å; L253-I257 HydrophobicContact CD2-CD1 4.47Å; L253-I257 HydrophobicContact CG-CD1 3.83Å; L253-I257 HydrophobicContact CG-CG1 4.47Å; L253-I257 WeakPolarHBondContact O-CG1 3.12Å; L253-I257 PolarHBondContact O-N 3.06Å
254	R	93	Very high	91.9	Very high	50 Å²	50	65.3 Å²	65.3	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-52.6	-47.2	173.5	175.1	174.2	171.8	166	-1	112.9	D222 Y227 A250 T252 L256 I257 Q258	D222-R254 PolarHBondContact O-NH2 3.02Å; Y227-R254 HydrophobicContact CD1-CB 4.34Å; Y227-R254 VanDerWaalsContact CD1-CD 3.49Å; Y227-R254 HydrophobicContact CD1-CG 3.78Å; Y227-R254 HydrophobicContact CD2-CG 3.89Å; Y227-R254 HydrophobicContact CE1-CB 3.68Å; Y227-R254 HydrophobicContact CE1-CG 3.64Å; Y227-R254 HydrophobicContact CE2-CB 3.96Å; Y227-R254 HydrophobicContact CE2-CG 3.76Å; Y227-R254 HydrophobicContact CG-CG 3.91Å; Y227-R254 VanDerWaalsContact CZ-CB 3.48Å; Y227-R254 WeakPolarHBondContact OH-CA 3.45Å; A250-R254 VanDerWaalsContact O-CB 3.32Å; A250-R254 WeakPolarHBondContact O-CB 3.34Å; A250-R254 PolarHBondContact O-N 2.99Å; T252-R254 VanDerWaalsContact C-N 3.27Å; T252-R254 PolarHBondContact O-N 2.81Å; R254-L256 VanDerWaalsContact C-N 3.34Å; R254-I257 PolarHBondContact O-N 3.02Å; R254-Q258 HydrophobicContact CG-CG 4.3Å; R254-Q258 VanDerWaalsContact NH2-NE2 3.15Å; R254-Q258 WeakPolarHBondContact O-CB 3.19Å; R254-Q258 VanDerWaalsContact O-CG 3.23Å; R254-Q258 WeakPolarHBondContact O-CG 3.29Å; R254-Q258 PolarHBondContact O-N 3.25Å
255	K	95.3	Very high	92.2	Very high	140 Å²	140	65.3 Å²	65.3	61%	0.609	33%	0.327	S	S	*	.	H	α-helix	trans	-63.6	-42.2	179.5	-76.2	-172.9	170.7	-167.5	0	111.2	T252 L253 Q258 Q259	T252-K255 WeakPolarHBondContact O-CB 3.48Å; T252-K255 PolarHBondContact O-N 2.65Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.16Å; K255-Q258 PolarHBondContact O-N 3.49Å; K255-Q259 VanDerWaalsContact O-CB 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.38Å; K255-Q259 PolarHBondContact O-N 2.94Å
256	L	96.5	Very high	92.5	Very high	41 Å²	41	71.2 Å²	71.2	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-47.2	178	-63.5	173	0	0	0	111	L202 V248 T252 L253 R254 Q258 Q259 T260	L202-L256 HydrophobicContact CD1-CB 3.96Å; L202-L256 HydrophobicContact CD1-CD1 4.1Å; L202-L256 HydrophobicContact CD2-CB 4.16Å; V248-L256 HydrophobicContact CG1-CD1 4.22Å; T252-L256 HydrophobicContact CG2-CD1 4.31Å; T252-L256 PolarHBondContact O-N 2.78Å; T252-L256 VanDerWaalsContact O-N 3.08Å; L253-L256 PolarHBondContact O-N 2.87Å; L253-L256 VanDerWaalsContact O-N 3.14Å; R254-L256 VanDerWaalsContact C-N 3.34Å; L256-Q258 PolarHBondContact O-N 2.8Å; L256-Q259 PolarHBondContact O-N 3.13Å; L256-T260 WeakPolarHBondContact O-CB 3.46Å; L256-T260 PolarHBondContact O-N 3.46Å; L256-T260 PolarHBondContact O-OG1 2.89Å; L256-T260 VanDerWaalsContact O-OG1 3.12Å
257	I	96.1	Very high	93	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.9	-47.1	174.6	-65.2	169.9	0	0	0	110.8	L202 I209 L221 Y227 L236 F240 L253 R254 Q259 T260 F261	L202-I257 HydrophobicContact CD2-CG1 4.03Å; I209-I257 HydrophobicContact CD1-CG2 4.38Å; L221-I257 HydrophobicContact CD1-CG2 4.45Å; Y227-I257 HydrophobicContact CE2-CB 4.34Å; Y227-I257 HydrophobicContact CE2-CD1 4.2Å; Y227-I257 HydrophobicContact CE2-CG2 4.26Å; L236-I257 HydrophobicContact CD1-CD1 4.41Å; L236-I257 HydrophobicContact CD2-CD1 4.5Å; F240-I257 HydrophobicContact CD2-CD1 4.32Å; F240-I257 HydrophobicContact CE1-CG1 4.44Å; F240-I257 HydrophobicContact CE2-CD1 3.52Å; F240-I257 HydrophobicContact CE2-CG1 4.04Å; F240-I257 HydrophobicContact CZ-CD1 3.75Å; F240-I257 HydrophobicContact CZ-CG1 3.71Å; F240-I257 HydrophobicContact CZ-CG2 4.42Å; L253-I257 HydrophobicContact CD1-CD1 4.01Å; L253-I257 HydrophobicContact CD1-CG1 4.28Å; L253-I257 HydrophobicContact CD2-CD1 4.47Å; L253-I257 HydrophobicContact CG-CD1 3.83Å; L253-I257 HydrophobicContact CG-CG1 4.47Å; L253-I257 WeakPolarHBondContact O-CG1 3.12Å; L253-I257 PolarHBondContact O-N 3.06Å; R254-I257 PolarHBondContact O-N 3.02Å; I257-Q259 VanDerWaalsContact C-N 3.31Å; I257-Q259 PolarHBondContact O-N 2.98Å; I257-T260 PolarHBondContact O-N 3.39Å; I257-F261 WeakPolarHBondContact O-CB 3.36Å; I257-F261 PolarHBondContact O-N 2.98Å
258	Q	95.1	Very high	93.1	Very high	29 Å²	29	67.4 Å²	67.4	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-34.4	177.8	-74.1	177.5	-40.8	0	0	113.1	L221 D222 R254 K255 L256 K262	L221-Q258 PolarHBondContact O-NE2 3Å; D222-Q258 PolarHBondContact O-NE2 3.15Å; R254-Q258 HydrophobicContact CG-CG 4.3Å; R254-Q258 VanDerWaalsContact NH2-NE2 3.15Å; R254-Q258 WeakPolarHBondContact O-CB 3.19Å; R254-Q258 VanDerWaalsContact O-CG 3.23Å; R254-Q258 WeakPolarHBondContact O-CG 3.29Å; R254-Q258 PolarHBondContact O-N 3.25Å; K255-Q258 PolarHBondContact O-N 3.49Å; L256-Q258 PolarHBondContact O-N 2.8Å; Q258-K262 WeakPolarHBondContact O-CE 3.33Å; Q258-K262 WeakPolarHBondContact O-CG 3.34Å
259	Q	95.6	Very high	93.1	Very high	127 Å²	127	69.3 Å²	69.3	59%	0.593	34%	0.341	S	S	*	.	H	α-helix	trans	-76.9	-44.3	178.6	179.4	173.8	-20.2	0	0	112.1	K255 L256 I257	K255-Q259 VanDerWaalsContact O-CB 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.38Å; K255-Q259 PolarHBondContact O-N 2.94Å; L256-Q259 PolarHBondContact O-N 3.13Å; I257-Q259 VanDerWaalsContact C-N 3.31Å; I257-Q259 PolarHBondContact O-N 2.98Å
260	T	96.3	Very high	93.2	Very high	10 Å²	10	63.4 Å²	63.4	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-72.3	-38.8	179.7	-58.8	0	0	0	0	111.5	K203 C206 L256 I257 K262 Q263	K203-T260 HydrophobicContact CB-CG2 4.5Å; K203-T260 HydrophobicContact CG-CG2 3.89Å; C206-T260 HydrophobicContact CB-CG2 4.06Å; L256-T260 WeakPolarHBondContact O-CB 3.46Å; L256-T260 PolarHBondContact O-N 3.46Å; L256-T260 PolarHBondContact O-OG1 2.89Å; L256-T260 VanDerWaalsContact O-OG1 3.12Å; I257-T260 PolarHBondContact O-N 3.39Å; T260-K262 PolarHBondContact O-N 2.84Å; T260-Q263 WeakPolarHBondContact O-CB 3.45Å; T260-Q263 PolarHBondContact O-N 3.42Å
261	F	96.4	Very high	93.8	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-35.3	177.9	-173.6	-97.8	0	0	0	112.8	I209 R210 M216 G218 L221 I257 Q263 V264 A265	I209-F261 HydrophobicContact CB-CD2 4.48Å; I209-F261 HydrophobicContact CB-CE2 4.35Å; I209-F261 HydrophobicContact CG2-CD2 4.08Å; I209-F261 HydrophobicContact CG2-CE2 3.79Å; R210-F261 HydrophobicContact CB-CE2 3.79Å; R210-F261 HydrophobicContact CB-CZ 4.35Å; M216-F261 HydrophobicContact CE-CE1 3.98Å; M216-F261 HydrophobicContact CE-CE2 3.93Å; M216-F261 HydrophobicContact CE-CZ 3.38Å; G218-F261 WeakPolarHBondContact O-CE1 3.19Å; L221-F261 HydrophobicContact CD1-CB 4.12Å; L221-F261 HydrophobicContact CD1-CD1 3.88Å; L221-F261 HydrophobicContact CD1-CD2 3.82Å; L221-F261 HydrophobicContact CD1-CE1 4.27Å; L221-F261 HydrophobicContact CD1-CE2 4.21Å; L221-F261 HydrophobicContact CD1-CG 3.65Å; L221-F261 HydrophobicContact CD1-CZ 4.44Å; L221-F261 HydrophobicContact CG-CD1 4.3Å; L221-F261 HydrophobicContact CG-CE1 4.43Å; I257-F261 WeakPolarHBondContact O-CB 3.36Å; I257-F261 PolarHBondContact O-N 2.98Å; F261-Q263 PolarHBondContact O-N 3.35Å; F261-Q263 VanDerWaalsContact O-N 3.16Å; F261-V264 HydrophobicContact CD2-CG2 4.18Å; F261-V264 CarbonylContact O-C 3.52Å; F261-V264 VanDerWaalsContact O-CG2 3.27Å; F261-V264 WeakPolarHBondContact O-CG2 3.46Å; F261-V264 PolarHBondContact O-N 2.59Å; F261-A265 HydrophobicContact CD1-CB 4.46Å; F261-A265 HydrophobicContact CE1-CB 4.29Å; F261-A265 WeakPolarHBondContact O-CA 3.48Å; F261-A265 WeakPolarHBondContact O-CB 3.48Å; F261-A265 PolarHBondContact O-N 3.02Å
262	K	94.4	Very high	94.1	Very high	108 Å²	108	56.3 Å²	56.3	47%	0.47	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-20.9	177.9	-71.1	176	-167	-167.7	0	114	D222 Q258 T260	D222-K262 WeakPolarHBondContact OD1-CE 3.41Å; D222-K262 IonicContact OD1-NZ 1.77Å; D222-K262 PolarHBondContact OD1-NZ 3.33Å; D222-K262 WeakPolarHBondContact OD2-CE 3.48Å; D222-K262 IonicContact OD2-NZ 3.1Å; D222-K262 PolarHBondContact OD2-NZ 3.42Å; Q258-K262 WeakPolarHBondContact O-CE 3.33Å; Q258-K262 WeakPolarHBondContact O-CG 3.34Å; T260-K262 PolarHBondContact O-N 2.84Å
263	Q	94.2	Very high	94.2	Very high	126 Å²	126	52.8 Å²	52.8	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-78.8	-24.1	176.3	-53.1	173	24.9	0	0	112.1	T260 F261	T260-Q263 WeakPolarHBondContact O-CB 3.45Å; T260-Q263 PolarHBondContact O-N 3.42Å; F261-Q263 PolarHBondContact O-N 3.35Å; F261-Q263 VanDerWaalsContact O-N 3.16Å
264	V	95.1	Very high	94.5	Very high	16 Å²	16	55 Å²	55	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-111.4	-8	-178.9	-61.2	0	0	0	0	113.4	C206 L207 R210 F261 N266 L267	C206-V264 HydrophobicContact CB-CG2 3.96Å; L207-V264 HydrophobicContact CD2-CB 3.98Å; L207-V264 HydrophobicContact CD2-CG1 3.53Å; L207-V264 HydrophobicContact CG-CG1 4.01Å; R210-V264 HydrophobicContact CB-CG2 4.35Å; R210-V264 WeakPolarHBondContact CG-O 3.32Å; F261-V264 HydrophobicContact CD2-CG2 4.18Å; F261-V264 CarbonylContact O-C 3.52Å; F261-V264 VanDerWaalsContact O-CG2 3.27Å; F261-V264 WeakPolarHBondContact O-CG2 3.46Å; F261-V264 PolarHBondContact O-N 2.59Å; V264-N266 PolarHBondContact O-N 3.13Å; V264-L267 HydrophobicContact CB-CD1 3.92Å; V264-L267 HydrophobicContact CG1-CD1 4.08Å; V264-L267 WeakPolarHBondContact O-CB 3.35Å; V264-L267 WeakPolarHBondContact O-CG 3.11Å; V264-L267 PolarHBondContact O-N 3.34Å
265	A	91.9	Very high	94.7	Very high	9 Å²	9	57 Å²	57	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-35.1	-176.7	0	0	0	0	0	116	R210 F261	R210-A265 PolarHBondContact NE-O 3.3Å; F261-A265 HydrophobicContact CD1-CB 4.46Å; F261-A265 HydrophobicContact CE1-CB 4.29Å; F261-A265 WeakPolarHBondContact O-CA 3.48Å; F261-A265 WeakPolarHBondContact O-CB 3.48Å; F261-A265 PolarHBondContact O-N 3.02Å
266	N	92	Very high	94.8	Very high	152 Å²	152	50.5 Å²	50.5	81%	0.813	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.4	-175.3	-64.6	-18.8	0	0	0	113.7	V264	V264-N266 PolarHBondContact O-N 3.13Å
267	L	94.1	Very high	94.7	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	24%	0.239	C	C	.	.			trans	-75.3	151.8	179.5	-58	178.7	0	0	0	111.3	L207 R210 V264 Q271 K275	L207-L267 HydrophobicContact CD2-CD1 3.74Å; R210-L267 PolarHBondContact NE-O 3.36Å; R210-L267 PolarHBondContact NH2-O 3.39Å; V264-L267 HydrophobicContact CB-CD1 3.92Å; V264-L267 HydrophobicContact CG1-CD1 4.08Å; V264-L267 WeakPolarHBondContact O-CB 3.35Å; V264-L267 WeakPolarHBondContact O-CG 3.11Å; V264-L267 PolarHBondContact O-N 3.34Å; L267-Q271 HydrophobicContact CB-CB 4.12Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; L267-K275 HydrophobicContact CD1-CD 3.94Å
268	N	90.7	Very high	94.7	Very high	73 Å²	73	55.1 Å²	55.1	39%	0.39	27%	0.269	S	S	.	.			trans	-91	171.8	167.2	74.4	36.7	0	0	0	111.7	E270 Q271 C272	N268-E270 PolarHBondContact O-N 3.36Å; N268-E270 PolarHBondContact OD1-N 2.87Å; N268-E270 VanDerWaalsContact OD1-N 3.15Å; N268-Q271 PolarHBondContact O-N 2.9Å; N268-Q271 WeakPolarHBondContact OD1-CB 3.45Å; N268-Q271 WeakPolarHBondContact OD1-CG 3.24Å; N268-Q271 PolarHBondContact OD1-N 3.15Å; N268-C272 PolarHBondContact O-N 2.9Å; N268-C272 PolarHBondContact O-SG 3.35Å
269	D	89.1	Confident	94.7	Very high	57 Å²	57	56 Å²	56	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-47	-53	179.9	-170.8	25	0	0	0	113.2	R211 C272 I273	R211-D269 WeakPolarHBondContact CG-OD1 3.33Å; R211-D269 IonicContact NH1-OD1 3.59Å; D269-C272 WeakPolarHBondContact O-CB 3.2Å; D269-C272 PolarHBondContact O-N 3.41Å; D269-I273 WeakPolarHBondContact O-CG1 3.34Å; D269-I273 PolarHBondContact O-N 2.99Å; D269-I273 VanDerWaalsContact O-N 3.1Å
270	E	93.1	Very high	94.6	Very high	53 Å²	53	50 Å²	50	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-43	-179.6	-175.7	176.3	100.1	0	0	112.5	T171 K174 L177 N268 C272 I273 L274	T171-E270 HydrophobicContact CG2-CG 4.49Å; K174-E270 IonicContact NZ-OE2 3.01Å; K174-E270 PolarHBondContact NZ-OE2 3.49Å; L177-E270 HydrophobicContact CD2-CG 4.26Å; N268-E270 PolarHBondContact O-N 3.36Å; N268-E270 PolarHBondContact OD1-N 2.87Å; N268-E270 VanDerWaalsContact OD1-N 3.15Å; E270-C272 VanDerWaalsContact C-N 3.29Å; E270-C272 PolarHBondContact O-N 2.89Å; E270-I273 PolarHBondContact O-N 3.24Å; E270-L274 HydrophobicContact CG-CD1 4.24Å; E270-L274 WeakPolarHBondContact O-CG 3.42Å; E270-L274 PolarHBondContact O-N 2.79Å
271	Q	95.8	Very high	94.4	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-33.3	174.9	-70.7	170.8	-22.3	0	0	112.3	L267 N268 K275	L267-Q271 HydrophobicContact CB-CB 4.12Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; N268-Q271 PolarHBondContact O-N 2.9Å; N268-Q271 WeakPolarHBondContact OD1-CB 3.45Å; N268-Q271 WeakPolarHBondContact OD1-CG 3.24Å; N268-Q271 PolarHBondContact OD1-N 3.15Å; Q271-K275 WeakPolarHBondContact O-CB 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.48Å; Q271-K275 PolarHBondContact O-N 2.97Å; Q271-K275 VanDerWaalsContact O-N 3.1Å
272	C	96.4	Very high	94	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-43.7	173.2	-79.4	0	0	0	0	111.8	L207 R210 R211 N268 D269 E270 F276	L207-C272 HydrophobicContact CD2-CB 4.38Å; R210-C272 WeakPolarHBondContact CG-SG 3.29Å; R211-C272 HydrophobicContact CB-CB 4.01Å; R211-C272 HydrophobicContact CG-CB 4.42Å; N268-C272 PolarHBondContact O-N 2.9Å; N268-C272 PolarHBondContact O-SG 3.35Å; D269-C272 WeakPolarHBondContact O-CB 3.2Å; D269-C272 PolarHBondContact O-N 3.41Å; E270-C272 VanDerWaalsContact C-N 3.29Å; E270-C272 PolarHBondContact O-N 2.89Å; C272-F276 VanDerWaalsContact O-CB 3.28Å; C272-F276 WeakPolarHBondContact O-CB 3.34Å; C272-F276 PolarHBondContact O-N 3.33Å
273	I	96.2	Very high	93.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-52.1	175.6	-69	169.4	0	0	0	110.7	L177 Y181 D269 E270 K275 F276 L277	L177-I273 HydrophobicContact CD1-CG2 3.8Å; L177-I273 HydrophobicContact CD2-CG2 4.34Å; L177-I273 HydrophobicContact CG-CG2 3.91Å; Y181-I273 HydrophobicContact CD1-CD1 4.44Å; Y181-I273 HydrophobicContact CD1-CG1 4.04Å; Y181-I273 HydrophobicContact CD2-CB 4.13Å; Y181-I273 HydrophobicContact CD2-CG1 3.9Å; Y181-I273 HydrophobicContact CD2-CG2 3.84Å; Y181-I273 HydrophobicContact CE1-CG1 4.49Å; Y181-I273 HydrophobicContact CE2-CG1 4.35Å; Y181-I273 HydrophobicContact CG-CB 4.32Å; Y181-I273 HydrophobicContact CG-CD1 4.31Å; Y181-I273 HydrophobicContact CG-CG1 3.73Å; Y181-I273 HydrophobicContact CG-CG2 3.96Å; D269-I273 WeakPolarHBondContact O-CG1 3.34Å; D269-I273 PolarHBondContact O-N 2.99Å; D269-I273 VanDerWaalsContact O-N 3.1Å; E270-I273 PolarHBondContact O-N 3.24Å; I273-K275 PolarHBondContact O-N 3.2Å; I273-F276 WeakPolarHBondContact O-CB 3.31Å; I273-F276 PolarHBondContact O-N 3.1Å; I273-F276 VanDerWaalsContact O-N 3.16Å; I273-L277 HydrophobicContact CG2-CD1 3.94Å; I273-L277 WeakPolarHBondContact O-CG 3.47Å; I273-L277 PolarHBondContact O-N 3.32Å
274	L	96.8	Very high	93.3	Very high	51 Å²	51	49.8 Å²	49.8	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-44.7	-176.9	-68.5	173.3	0	0	0	111.9	V167 E270 F276 L277 E278	V167-L274 HydrophobicContact CG1-CD2 3.44Å; V167-L274 VanDerWaalsContact CG1-CD2 3.44Å; E270-L274 HydrophobicContact CG-CD1 4.24Å; E270-L274 WeakPolarHBondContact O-CG 3.42Å; E270-L274 PolarHBondContact O-N 2.79Å; L274-F276 PolarHBondContact O-N 2.85Å; L274-L277 PolarHBondContact O-N 3.31Å; L274-E278 WeakPolarHBondContact O-CB 3.45Å; L274-E278 PolarHBondContact O-N 2.63Å
275	K	96.9	Very high	93	Very high	93 Å²	93	55 Å²	55	40%	0.404	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-30.3	176.1	-71.3	-158.9	179.6	-160.1	0	114.1	L207 L267 Q271 I273 I279	L207-K275 HydrophobicContact CD1-CB 4.16Å; L207-K275 HydrophobicContact CD2-CB 4.2Å; L267-K275 HydrophobicContact CD1-CD 3.94Å; Q271-K275 WeakPolarHBondContact O-CB 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.48Å; Q271-K275 PolarHBondContact O-N 2.97Å; Q271-K275 VanDerWaalsContact O-N 3.1Å; I273-K275 PolarHBondContact O-N 3.2Å; K275-I279 WeakPolarHBondContact O-CB 3.25Å; K275-I279 WeakPolarHBondContact O-CD1 3.44Å; K275-I279 VanDerWaalsContact O-CG1 3.24Å; K275-I279 WeakPolarHBondContact O-CG1 3.29Å; K275-I279 PolarHBondContact O-N 3.25Å
276	F	97.1	Very high	93	Very high	3 Å²	3	56 Å²	56	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-45.9	175.7	-175.6	-75.6	0	0	0	110.4	Y181 K185 Y188 L204 L207 C272 I273 L274 L280	Y181-F276 HydrophobicContact CD2-CD1 4.23Å; Y181-F276 HydrophobicContact CD2-CG 4.45Å; Y181-F276 HydrophobicContact CE2-CB 3.84Å; Y181-F276 AromaticContact CE2-CD1 3.66Å; Y181-F276 HydrophobicContact CE2-CD1 3.66Å; Y181-F276 HydrophobicContact CE2-CD2 4.02Å; Y181-F276 HydrophobicContact CE2-CE1 4.21Å; Y181-F276 AromaticContact CE2-CG 3.59Å; Y181-F276 HydrophobicContact CE2-CG 3.59Å; K185-F276 HydrophobicContact CB-CE1 4.22Å; K185-F276 HydrophobicContact CB-CZ 4.18Å; K185-F276 HydrophobicContact CG-CE1 4.19Å; K185-F276 HydrophobicContact CG-CE2 4.21Å; K185-F276 HydrophobicContact CG-CZ 3.64Å; Y188-F276 HydrophobicContact CD1-CZ 4.01Å; Y188-F276 HydrophobicContact CE1-CZ 4.45Å; L204-F276 HydrophobicContact CB-CD2 4.05Å; L204-F276 HydrophobicContact CB-CE2 3.64Å; L204-F276 HydrophobicContact CB-CZ 4.26Å; L204-F276 HydrophobicContact CD2-CB 4.41Å; L204-F276 HydrophobicContact CD2-CD1 4.13Å; L204-F276 HydrophobicContact CD2-CD2 3.6Å; L204-F276 HydrophobicContact CD2-CE1 4.27Å; L204-F276 HydrophobicContact CD2-CE2 3.78Å; L204-F276 HydrophobicContact CD2-CG 3.77Å; L204-F276 HydrophobicContact CD2-CZ 4.08Å; L204-F276 HydrophobicContact CG-CD2 4.42Å; L204-F276 HydrophobicContact CG-CE2 4.22Å; L204-F276 WeakPolarHBondContact O-CE2 3.34Å; L207-F276 HydrophobicContact CB-CD2 4.28Å; L207-F276 HydrophobicContact CD1-CB 4.14Å; C272-F276 VanDerWaalsContact O-CB 3.28Å; C272-F276 WeakPolarHBondContact O-CB 3.34Å; C272-F276 PolarHBondContact O-N 3.33Å; I273-F276 WeakPolarHBondContact O-CB 3.31Å; I273-F276 PolarHBondContact O-N 3.1Å; I273-F276 VanDerWaalsContact O-N 3.16Å; L274-F276 PolarHBondContact O-N 2.85Å; F276-L280 HydrophobicContact CD1-CD2 4.4Å; F276-L280 HydrophobicContact CE1-CD2 3.75Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.22Å; F276-L280 PolarHBondContact O-N 2.94Å
277	L	96.2	Very high	93.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-49.1	175.8	-68.9	174.2	0	0	0	111.1	L177 F180 V184 I273 L274 I279 L280 A281 Y286	L177-L277 HydrophobicContact CD1-CD1 4.44Å; F180-L277 HydrophobicContact CD1-CD1 4.21Å; F180-L277 HydrophobicContact CD1-CD2 4.26Å; F180-L277 HydrophobicContact CE1-CD1 4.5Å; F180-L277 HydrophobicContact CE1-CD2 4.13Å; V184-L277 HydrophobicContact CB-CD2 4.17Å; V184-L277 HydrophobicContact CG1-CD2 3.92Å; V184-L277 HydrophobicContact CG2-CD2 4.5Å; I273-L277 HydrophobicContact CG2-CD1 3.94Å; I273-L277 WeakPolarHBondContact O-CG 3.47Å; I273-L277 PolarHBondContact O-N 3.32Å; L274-L277 PolarHBondContact O-N 3.31Å; L277-I279 PolarHBondContact O-N 3.23Å; L277-L280 PolarHBondContact O-N 2.97Å; L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 3.48Å; L277-Y286 WeakPolarHBondContact CB-OH 3.43Å; L277-Y286 HydrophobicContact CD2-CE1 4.28Å; L277-Y286 HydrophobicContact CD2-CE2 4.41Å; L277-Y286 PolarHBondContact O-OH 3.11Å; L277-Y286 VanDerWaalsContact O-OH 3.08Å
278	E	95.4	Very high	93.1	Very high	134 Å²	134	50 Å²	50	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-50.1	-52.3	174.9	-179	-169.6	177.7	0	0	112.7	L274	L274-E278 WeakPolarHBondContact O-CB 3.45Å; L274-E278 PolarHBondContact O-N 2.63Å
279	I	95	Very high	93.2	Very high	48 Å²	48	49 Å²	49	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-46.2	-179.7	-69.6	168.3	0	0	0	110.7	V200 K203 L204 L207 K275 L277 A281 S282	V200-I279 HydrophobicContact CG1-CG2 3.61Å; K203-I279 HydrophobicContact CB-CD1 4.45Å; L204-I279 HydrophobicContact CD2-CB 4.04Å; L204-I279 HydrophobicContact CD2-CG2 3.83Å; L204-I279 HydrophobicContact CG-CG2 4.19Å; L207-I279 HydrophobicContact CD1-CD1 3.95Å; K275-I279 WeakPolarHBondContact O-CB 3.25Å; K275-I279 WeakPolarHBondContact O-CD1 3.44Å; K275-I279 VanDerWaalsContact O-CG1 3.24Å; K275-I279 WeakPolarHBondContact O-CG1 3.29Å; K275-I279 PolarHBondContact O-N 3.25Å; L277-I279 PolarHBondContact O-N 3.23Å; I279-A281 VanDerWaalsContact C-N 3.35Å; I279-A281 PolarHBondContact O-N 3.4Å; I279-S282 PolarHBondContact O-N 3.44Å; I279-S282 PolarHBondContact O-OG 3.4Å
280	L	93.6	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.8	-30.7	-175	-178.1	58.7	0	0	0	113.1	V184 Y188 L204 F276 L277 S282 I283 Y284 Y286	V184-L280 HydrophobicContact CG1-CD2 3.53Å; Y188-L280 HydrophobicContact CD2-CD1 3.7Å; Y188-L280 HydrophobicContact CE2-CD1 4.41Å; Y188-L280 HydrophobicContact CG-CD1 4.23Å; Y188-L280 HydrophobicContact CG-CD2 4.34Å; L204-L280 HydrophobicContact CD1-CD1 4.41Å; L204-L280 HydrophobicContact CD2-CB 4.45Å; F276-L280 HydrophobicContact CD1-CD2 4.4Å; F276-L280 HydrophobicContact CE1-CD2 3.75Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.22Å; F276-L280 PolarHBondContact O-N 2.94Å; L277-L280 PolarHBondContact O-N 2.97Å; L280-S282 PolarHBondContact O-N 2.88Å; L280-S282 VanDerWaalsContact O-N 3.1Å; L280-I283 PolarHBondContact O-N 3.35Å; L280-Y284 HydrophobicContact CD2-CD1 4.49Å; L280-Y284 PolarHBondContact O-N 2.8Å; L280-Y286 HydrophobicContact CB-CE1 4.41Å; L280-Y286 HydrophobicContact CD2-CD1 4.45Å; L280-Y286 HydrophobicContact CG-CD1 4.33Å; L280-Y286 HydrophobicContact CG-CE1 4.43Å
281	A	91.7	Very high	93.4	Very high	29 Å²	29	49.3 Å²	49.3	24%	0.24	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	179.1	0	0	0	0	0	113.8	L277 I279 I283 R285 Y286	L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 3.48Å; I279-A281 VanDerWaalsContact C-N 3.35Å; I279-A281 PolarHBondContact O-N 3.4Å; A281-I283 VanDerWaalsContact C-N 3.27Å; A281-I283 PolarHBondContact O-N 3.3Å; A281-R285 VanDerWaalsContact O-CD 3.32Å; A281-R285 WeakPolarHBondContact O-CD 3.35Å; A281-Y286 HydrophobicContact CB-CE1 3.87Å
282	S	87.3	Confident	93.2	Very high	98 Å²	98	52.3 Å²	52.3	69%	0.685	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.4	175	69.3	0	0	0	0	114.1	I279 L280	I279-S282 PolarHBondContact O-N 3.44Å; I279-S282 PolarHBondContact O-OG 3.4Å; L280-S282 PolarHBondContact O-N 2.88Å; L280-S282 VanDerWaalsContact O-N 3.1Å
283	I	86	Confident	93.1	Very high	74 Å²	74	52.5 Å²	52.5	38%	0.379	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-44.5	-172.4	-67.7	155.6	0	0	0	111.1	V196 V200 L280 A281	V196-I283 HydrophobicContact CG1-CD1 3.94Å; V196-I283 HydrophobicContact CG2-CG2 3.81Å; V200-I283 HydrophobicContact CB-CD1 4.37Å; V200-I283 HydrophobicContact CG1-CD1 3.69Å; V200-I283 HydrophobicContact CG2-CD1 4.44Å; L280-I283 PolarHBondContact O-N 3.35Å; A281-I283 VanDerWaalsContact C-N 3.27Å; A281-I283 PolarHBondContact O-N 3.3Å
284	Y	87.8	Confident	93	Very high	41 Å²	41	52.5 Å²	52.5	16%	0.161	26%	0.257	C	S	.	.			trans	-123.7	114.3	-179.1	173.2	-137.1	0	0	0	109.8	D187 Y192 L280 Y286	D187-Y284 HydrophobicContact CB-CE1 4.03Å; Y192-Y284 HydrophobicContact CD2-CD1 4.08Å; Y192-Y284 AromaticContact CD2-CD2 3.99Å; Y192-Y284 HydrophobicContact CD2-CD2 3.99Å; Y192-Y284 HydrophobicContact CD2-CE1 4.32Å; Y192-Y284 HydrophobicContact CD2-CE2 4.27Å; Y192-Y284 AromaticContact CD2-CG 3.92Å; Y192-Y284 HydrophobicContact CD2-CG 3.92Å; Y192-Y284 HydrophobicContact CE1-CD2 4.16Å; Y192-Y284 HydrophobicContact CE2-CD1 4.1Å; Y192-Y284 AromaticContact CE2-CD2 3.42Å; Y192-Y284 HydrophobicContact CE2-CD2 3.42Å; Y192-Y284 VanDerWaalsContact CE2-CD2 3.42Å; Y192-Y284 HydrophobicContact CE2-CE1 4.03Å; Y192-Y284 AromaticContact CE2-CE2 3.37Å; Y192-Y284 HydrophobicContact CE2-CE2 3.37Å; Y192-Y284 AromaticContact CE2-CG 3.82Å; Y192-Y284 HydrophobicContact CE2-CG 3.82Å; Y192-Y284 AromaticContact CE2-CZ 3.7Å; Y192-Y284 HydrophobicContact CG-CG 4.44Å; Y192-Y284 AromaticContact CZ-CD2 3.51Å; Y192-Y284 AromaticContact CZ-CE2 3.59Å; Y192-Y284 WeakPolarHBondContact OH-CE2 3.34Å; L280-Y284 HydrophobicContact CD2-CD1 4.49Å; L280-Y284 PolarHBondContact O-N 2.8Å; Y284-Y286 HydrophobicContact CD1-CD1 4.39Å; Y284-Y286 VanDerWaalsContact O-CD1 3.28Å; Y284-Y286 WeakPolarHBondContact O-CD1 3.41Å; Y284-Y286 PolarHBondContact O-N 3.17Å
285	R	90.2	Very high	92.8	Very high	125 Å²	125	51 Å²	51	47%	0.472	25%	0.249	S	C	.	.			trans	-79.6	69.9	176.2	-64.1	-57.2	-61.1	-119	-3.3	111	A281 D287 K288	A281-R285 VanDerWaalsContact O-CD 3.32Å; A281-R285 WeakPolarHBondContact O-CD 3.35Å; R285-D287 VanDerWaalsContact CA-OD1 3.29Å; R285-D287 WeakPolarHBondContact CA-OD1 3.19Å; R285-D287 WeakPolarHBondContact CB-OD1 3.47Å; R285-D287 IonicContact CZ-OD1 2.97Å; R285-D287 IonicContact CZ-OD2 3.53Å; R285-D287 IonicContact NE-OD1 2.72Å; R285-D287 PolarHBondContact NE-OD1 3.29Å; R285-D287 IonicContact NE-OD2 2.8Å; R285-D287 PolarHBondContact NE-OD2 3.41Å; R285-D287 IonicContact NH2-OD1 3.74Å; R285-D287 IonicContact NH2-OD2 3.69Å; R285-D287 PolarHBondContact NH2-OD2 2.95Å; R285-D287 PolarHBondContact O-N 3.44Å; R285-D287 VanDerWaalsContact O-N 3.12Å; R285-K288 HydrophobicContact CB-CG 4.32Å; R285-K288 PolarHBondContact O-N 3.39Å
286	Y	92.6	Very high	92.3	Very high	31 Å²	31	47.7 Å²	47.7	12%	0.122	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-7	174.4	58.3	-108.3	0	0	0	113.7	F166 F180 V184 L277 L280 A281 Y284	F166-Y286 HydrophobicContact CE2-CE2 4.25Å; F166-Y286 HydrophobicContact CZ-CE2 4.04Å; F180-Y286 AromaticContact CE1-CD2 3.9Å; F180-Y286 HydrophobicContact CE1-CD2 3.9Å; F180-Y286 AromaticContact CE1-CE2 3.83Å; F180-Y286 HydrophobicContact CE1-CE2 3.83Å; F180-Y286 AromaticContact CZ-CD2 3.65Å; F180-Y286 HydrophobicContact CZ-CD2 3.65Å; F180-Y286 HydrophobicContact CZ-CE2 4Å; V184-Y286 HydrophobicContact CG1-CD1 3.62Å; V184-Y286 HydrophobicContact CG1-CE1 4.22Å; V184-Y286 HydrophobicContact CG1-CG 3.82Å; V184-Y286 HydrophobicContact CG2-CD2 4.23Å; V184-Y286 HydrophobicContact CG2-CG 4.04Å; L277-Y286 WeakPolarHBondContact CB-OH 3.43Å; L277-Y286 HydrophobicContact CD2-CE1 4.28Å; L277-Y286 HydrophobicContact CD2-CE2 4.41Å; L277-Y286 PolarHBondContact O-OH 3.11Å; L277-Y286 VanDerWaalsContact O-OH 3.08Å; L280-Y286 HydrophobicContact CB-CE1 4.41Å; L280-Y286 HydrophobicContact CD2-CD1 4.45Å; L280-Y286 HydrophobicContact CG-CD1 4.33Å; L280-Y286 HydrophobicContact CG-CE1 4.43Å; A281-Y286 HydrophobicContact CB-CE1 3.87Å; Y284-Y286 HydrophobicContact CD1-CD1 4.39Å; Y284-Y286 VanDerWaalsContact O-CD1 3.28Å; Y284-Y286 WeakPolarHBondContact O-CD1 3.41Å; Y284-Y286 PolarHBondContact O-N 3.17Å
287	D	93.7	Very high	91.3	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.08	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.9	-178.3	63	-61.7	0	0	0	114.1	F166 R285 P309	F166-D287 HydrophobicContact CE1-CB 4.26Å; F166-D287 HydrophobicContact CZ-CB 4.24Å; R285-D287 VanDerWaalsContact CA-OD1 3.29Å; R285-D287 WeakPolarHBondContact CA-OD1 3.19Å; R285-D287 WeakPolarHBondContact CB-OD1 3.47Å; R285-D287 IonicContact CZ-OD1 2.97Å; R285-D287 IonicContact CZ-OD2 3.53Å; R285-D287 IonicContact NE-OD1 2.72Å; R285-D287 PolarHBondContact NE-OD1 3.29Å; R285-D287 IonicContact NE-OD2 2.8Å; R285-D287 PolarHBondContact NE-OD2 3.41Å; R285-D287 IonicContact NH2-OD1 3.74Å; R285-D287 IonicContact NH2-OD2 3.69Å; R285-D287 PolarHBondContact NH2-OD2 2.95Å; R285-D287 PolarHBondContact O-N 3.44Å; R285-D287 VanDerWaalsContact O-N 3.12Å; D287-P309 WeakPolarHBondContact O-CD 3.47Å
288	K	92.8	Very high	90.4	Very high	35 Å²	35	56 Å²	56	15%	0.152	30%	0.3	C	S	.	.			trans	-149.8	146.6	-179.4	55.2	-175.1	177.3	177.7	0	113.3	R285 A306 I307 E311	R285-K288 HydrophobicContact CB-CG 4.32Å; R285-K288 PolarHBondContact O-N 3.39Å; K288-A306 HydrophobicContact CD-CB 4.47Å; K288-I307 VanDerWaalsContact CA-O 3.3Å; K288-I307 WeakPolarHBondContact CA-O 3.31Å; K288-I307 VanDerWaalsContact CB-O 3.29Å; K288-I307 WeakPolarHBondContact CB-O 3.38Å; K288-E311 HydrophobicContact CD-CG 4.07Å; K288-E311 IonicContact NZ-OE1 3.72Å; K288-E311 PolarHBondContact NZ-OE1 2.78Å
289	E	94	Very high	89.7	Confident	53 Å²	53	60.6 Å²	60.6	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.5	171.2	-67.9	-175.2	-150.9	0	0	110.4	R160 F291 I307 L376	R160-E289 WeakPolarHBondContact CG-OE1 3.39Å; R160-E289 IonicContact CZ-OE1 3.83Å; R160-E289 IonicContact CZ-OE2 2.69Å; R160-E289 IonicContact NE-OE1 3.14Å; R160-E289 PolarHBondContact NE-OE1 3.47Å; R160-E289 IonicContact NE-OE2 2.81Å; R160-E289 IonicContact NH2-OE1 3.13Å; R160-E289 PolarHBondContact NH2-OE1 3.4Å; R160-E289 IonicContact NH2-OE2 3.83Å; R160-E289 PolarHBondContact NH2-OE2 3.35Å; E289-F291 HydrophobicContact CB-CD2 4.35Å; E289-F291 HydrophobicContact CB-CE2 3.56Å; E289-F291 HydrophobicContact CB-CZ 4.23Å; E289-F291 VanDerWaalsContact OE2-CZ 3.3Å; E289-F291 WeakPolarHBondContact OE2-CZ 3.41Å; E289-I307 PolarHBondContact N-O 3.25Å; E289-I307 PolarHBondContact O-N 2.71Å; E289-L376 HydrophobicContact CB-CD2 3.89Å; E289-L376 HydrophobicContact CG-CD2 4.32Å
290	L	92.6	Very high	89.1	Confident	94 Å²	94	62.3 Å²	62.3	49%	0.492	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.5	-179.5	-64.4	-179.7	0	0	0	110.9	E304 L305 A306	L290-E304 HydrophobicContact CB-CG 4.27Å; L290-L305 CarbonylContact C-O 3.44Å; L290-L305 VanDerWaalsContact CA-O 3.3Å; L290-L305 WeakPolarHBondContact CA-O 3.48Å; L290-A306 HydrophobicContact CD2-CB 3.58Å
291	F	93	Very high	88.9	Confident	23 Å²	23	67.5 Å²	67.5	10%	0.101	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.5	-176.2	-67.2	-95.1	0	0	0	112.1	E289 C293 L305 T369 L373 L376	E289-F291 HydrophobicContact CB-CD2 4.35Å; E289-F291 HydrophobicContact CB-CE2 3.56Å; E289-F291 HydrophobicContact CB-CZ 4.23Å; E289-F291 VanDerWaalsContact OE2-CZ 3.3Å; E289-F291 WeakPolarHBondContact OE2-CZ 3.41Å; F291-C293 PolarHBondContact O-N 2.97Å; F291-C293 PolarHBondContact O-SG 2.93Å; F291-C293 VanDerWaalsContact O-SG 3.32Å; F291-L305 HydrophobicContact CB-CB 4.29Å; F291-L305 PolarHBondContact N-O 3.45Å; F291-L305 PolarHBondContact O-N 3.23Å; F291-T369 HydrophobicContact CD1-CG2 4.05Å; F291-L373 HydrophobicContact CD1-CD1 4.16Å; F291-L373 HydrophobicContact CD2-CD1 3.64Å; F291-L373 HydrophobicContact CE1-CB 4.34Å; F291-L373 HydrophobicContact CE1-CD1 4.24Å; F291-L373 HydrophobicContact CE2-CD1 3.72Å; F291-L373 HydrophobicContact CG-CD1 3.87Å; F291-L373 HydrophobicContact CZ-CD1 4.03Å; F291-L376 HydrophobicContact CE2-CD2 3.62Å; F291-L376 HydrophobicContact CZ-CD2 4.13Å
292	K	92.8	Very high	88.9	Confident	147 Å²	147	73.2 Å²	73.2	64%	0.639	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.7	169.6	-65.8	177	-173.3	169.9	0	109.7	E304	K292-E304 WeakPolarHBondContact CE-OE1 3.13Å; K292-E304 HydrophobicContact CG-CG 4.23Å; K292-E304 VanDerWaalsContact CG-OE1 3.32Å; K292-E304 WeakPolarHBondContact CG-OE1 3.37Å
293	C	93.7	Very high	89.2	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.027	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	-176.4	-171.8	58	0	0	0	0	109.4	F291 Q302 V303 L305 V362 T363 T364	F291-C293 PolarHBondContact O-N 2.97Å; F291-C293 PolarHBondContact O-SG 2.93Å; F291-C293 VanDerWaalsContact O-SG 3.32Å; C293-Q302 PolarHBondContact O-OE1 3.46Å; C293-V303 PolarHBondContact N-O 3.09Å; C293-V303 VanDerWaalsContact N-O 3.14Å; C293-V303 PolarHBondContact O-N 3.43Å; C293-L305 VanDerWaalsContact SG-CD1 3.54Å; C293-L305 VanDerWaalsContact SG-CG 3.53Å; C293-V362 HydrophobicContact CB-CG1 3.83Å; C293-T363 CarbonylContact C-O 3.43Å; C293-T363 WeakPolarHBondContact CA-O 3.48Å; C293-T363 WeakPolarHBondContact CB-O 3.46Å; C293-T364 HydrophobicContact CB-CG2 4.42Å
294	A	93.3	Very high	89.5	Confident	2 Å²	2	67.7 Å²	67.7	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	170.1	0	0	0	0	0	112	V300 I301 V362 T363	A294-V300 HydrophobicContact CB-CG1 3.36Å; A294-I301 CarbonylContact C-O 3.55Å; A294-I301 WeakPolarHBondContact CA-O 3.41Å; A294-I301 WeakPolarHBondContact CB-O 2.95Å; A294-V362 CarbonylContact O-C 3.46Å; A294-V362 WeakPolarHBondContact O-CA 3.41Å; A294-T363 PolarHBondContact N-O 2.97Å; A294-T363 PolarHBondContact O-N 2.92Å
295	L	92.9	Very high	89.9	Confident	19 Å²	19	65.8 Å²	65.8	10%	0.099	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.7	-179.8	-57.7	179.7	0	0	0	111	V300 I301 V303 L305 Y315 L326 L360 T361 V362	L295-V300 WeakPolarHBondContact O-CA 3.49Å; L295-I301 PolarHBondContact N-O 3.39Å; L295-I301 PolarHBondContact O-N 3.18Å; L295-V303 HydrophobicContact CD1-CG1 4.28Å; L295-V303 HydrophobicContact CD1-CG2 3.92Å; L295-V303 HydrophobicContact CD2-CG2 4.38Å; L295-V303 HydrophobicContact CG-CG1 4.47Å; L295-V303 HydrophobicContact CG-CG2 3.71Å; L295-L305 HydrophobicContact CD2-CD1 4.29Å; L295-L305 HydrophobicContact CD2-CD2 4.33Å; L295-L305 HydrophobicContact CD2-CG 4.37Å; L295-Y315 HydrophobicContact CD1-CD1 4.22Å; L295-Y315 HydrophobicContact CD1-CG 4.18Å; L295-L326 HydrophobicContact CD1-CD1 3.84Å; L295-L360 HydrophobicContact CD2-CD1 4.33Å; L295-T361 WeakPolarHBondContact CA-O 3.32Å; L295-V362 HydrophobicContact CD2-CB 4.31Å; L295-V362 HydrophobicContact CD2-CG1 4.14Å; L295-V362 HydrophobicContact CD2-CG2 3.74Å
296	G	87	Confident	90.1	Very high	24 Å²	24	59.9 Å²	59.9	25%	0.247	31%	0.305	C	S	.	.			trans	110.3	154	171.9	0	0	0	0	0	114.4	T361	G296-T361 PolarHBondContact N-O 3.14Å
297	S	76.7	Confident	90.3	Very high	75 Å²	75	58.4 Å²	58.4	52%	0.524	30%	0.299	S	S	.	.	S	Bend	trans	-92.9	-44.7	-176	53	0	0	0	0	113.1
298	S	75.8	Confident	90.4	Very high	105 Å²	105	57.7 Å²	57.7	73%	0.734	30%	0.295	S	S	*	.	S	Bend	trans	-113.7	-28.5	179.6	-58.6	0	0	0	0	114.1
299	W	80.3	Confident	90.5	Very high	231 Å²	231	56.8 Å²	56.8	88%	0.875	29%	0.293	S	S	*	.	S	Bend	trans	-118.7	114.9	172	-70.4	91	0	0	0	107.9
300	V	83.4	Confident	90.3	Very high	83 Å²	83	58.6 Å²	58.6	50%	0.503	30%	0.302	S	S	.	.			trans	-107	114	-165.7	177.6	0	0	0	0	110.2	A294 L295	A294-V300 HydrophobicContact CB-CG1 3.36Å; L295-V300 WeakPolarHBondContact O-CA 3.49Å
301	I	88.6	Confident	90.1	Very high	109 Å²	109	56.4 Å²	56.4	56%	0.559	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.9	-176.4	-57	174.5	0	0	0	109.5	A294 L295 V303	A294-I301 CarbonylContact C-O 3.55Å; A294-I301 WeakPolarHBondContact CA-O 3.41Å; A294-I301 WeakPolarHBondContact CB-O 2.95Å; L295-I301 PolarHBondContact N-O 3.39Å; L295-I301 PolarHBondContact O-N 3.18Å; I301-V303 HydrophobicContact CG2-CG1 4.08Å
302	Q	92	Very high	90.2	Very high	150 Å²	150	55.4 Å²	55.4	70%	0.701	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.5	174.4	-65.6	-71.3	-27.6	0	0	110.6	C293	C293-Q302 PolarHBondContact O-OE1 3.46Å
303	V	93.3	Very high	90.4	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	168.8	-178.2	-57.9	0	0	0	0	111.6	C293 L295 I301 L305 Y315	C293-V303 PolarHBondContact N-O 3.09Å; C293-V303 VanDerWaalsContact N-O 3.14Å; C293-V303 PolarHBondContact O-N 3.43Å; L295-V303 HydrophobicContact CD1-CG1 4.28Å; L295-V303 HydrophobicContact CD1-CG2 3.92Å; L295-V303 HydrophobicContact CD2-CG2 4.38Å; L295-V303 HydrophobicContact CG-CG1 4.47Å; L295-V303 HydrophobicContact CG-CG2 3.71Å; I301-V303 HydrophobicContact CG2-CG1 4.08Å; V303-L305 HydrophobicContact CG2-CG 4.41Å; V303-Y315 HydrophobicContact CB-CD2 4.12Å; V303-Y315 HydrophobicContact CG1-CD2 3.63Å; V303-Y315 HydrophobicContact CG1-CE2 4.24Å; V303-Y315 HydrophobicContact CG1-CG 4.29Å
304	E	94.1	Very high	90.5	Very high	43 Å²	43	48.4 Å²	48.4	20%	0.201	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103.7	161.5	-161.6	157	-111.8	0	0	108.1	L290 K292 L316	L290-E304 HydrophobicContact CB-CG 4.27Å; K292-E304 WeakPolarHBondContact CE-OE1 3.13Å; K292-E304 HydrophobicContact CG-CG 4.23Å; K292-E304 VanDerWaalsContact CG-OE1 3.32Å; K292-E304 WeakPolarHBondContact CG-OE1 3.37Å; E304-L316 PolarHBondContact N-O 3.45Å; E304-L316 VanDerWaalsContact N-O 3.12Å; E304-L316 PolarHBondContact O-N 2.8Å
305	L	94.9	Very high	90.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.3	172.8	-88.1	178.2	0	0	0	109.4	L290 F291 C293 L295 V303 I313 S314 L326 V362 L373	L290-L305 CarbonylContact C-O 3.44Å; L290-L305 VanDerWaalsContact CA-O 3.3Å; L290-L305 WeakPolarHBondContact CA-O 3.48Å; F291-L305 HydrophobicContact CB-CB 4.29Å; F291-L305 PolarHBondContact N-O 3.45Å; F291-L305 PolarHBondContact O-N 3.23Å; C293-L305 VanDerWaalsContact SG-CD1 3.54Å; C293-L305 VanDerWaalsContact SG-CG 3.53Å; L295-L305 HydrophobicContact CD2-CD1 4.29Å; L295-L305 HydrophobicContact CD2-CD2 4.33Å; L295-L305 HydrophobicContact CD2-CG 4.37Å; V303-L305 HydrophobicContact CG2-CG 4.41Å; L305-I313 HydrophobicContact CD2-CG2 4.28Å; L305-S314 WeakPolarHBondContact CA-O 3.34Å; L305-S314 VanDerWaalsContact CD2-O 3.24Å; L305-S314 WeakPolarHBondContact CD2-O 3.46Å; L305-L326 HydrophobicContact CD2-CD1 3.94Å; L305-V362 HydrophobicContact CD1-CG1 3.72Å; L305-V362 HydrophobicContact CD1-CG2 4.2Å; L305-L373 HydrophobicContact CD1-CD2 4.29Å
306	A	94.8	Very high	90.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.2	173.7	0	0	0	0	0	109.5	K288 L290 S314 L316	K288-A306 HydrophobicContact CD-CB 4.47Å; L290-A306 HydrophobicContact CD2-CB 3.58Å; A306-S314 PolarHBondContact N-O 3.33Å; A306-S314 PolarHBondContact O-N 3.02Å; A306-S314 VanDerWaalsContact O-O 3.13Å; A306-L316 HydrophobicContact CB-CD1 3.64Å
307	I	96.9	Very high	90	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.1	-176.1	-58	-167.3	0	0	0	110	K288 E289 G312 I313 F329 L373 L376 I377 Y380	K288-I307 VanDerWaalsContact CA-O 3.3Å; K288-I307 WeakPolarHBondContact CA-O 3.31Å; K288-I307 VanDerWaalsContact CB-O 3.29Å; K288-I307 WeakPolarHBondContact CB-O 3.38Å; E289-I307 PolarHBondContact N-O 3.25Å; E289-I307 PolarHBondContact O-N 2.71Å; I307-G312 WeakPolarHBondContact CA-O 3.3Å; I307-I313 HydrophobicContact CD1-CG2 4.43Å; I307-F329 HydrophobicContact CG2-CE1 3.73Å; I307-F329 HydrophobicContact CG2-CZ 3.68Å; I307-L373 HydrophobicContact CD1-CD1 3.54Å; I307-L376 HydrophobicContact CB-CD2 3.84Å; I307-L376 HydrophobicContact CD1-CD2 4.47Å; I307-L376 HydrophobicContact CG2-CD2 3.76Å; I307-L376 HydrophobicContact CG2-CG 4.05Å; I307-I377 HydrophobicContact CD1-CD1 3.78Å; I307-I377 HydrophobicContact CD1-CG1 3.75Å; I307-Y380 HydrophobicContact CG2-CD2 4.08Å; I307-Y380 HydrophobicContact CG2-CE2 4.1Å
308	G	95.6	Very high	90	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	174.6	-178.5	0	0	0	0	0	113.5	E310 G312	G308-E310 VanDerWaalsContact C-N 3.34Å; G308-E310 PolarHBondContact O-N 3.49Å; G308-G312 PolarHBondContact N-O 2.91Å; G308-G312 PolarHBondContact O-N 3.21Å
309	P	94.4	Very high	89.3	Confident	16 Å²	16	60.2 Å²	60.2	10%	0.104	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-28.9	-167.8	24.6	-33.2	0	0	0	114.9	L162 F166 D287	L162-P309 HydrophobicContact CB-CB 4.39Å; L162-P309 HydrophobicContact CB-CG 3.91Å; L162-P309 WeakPolarHBondContact O-CB 3.24Å; F166-P309 HydrophobicContact CD1-CG 4.22Å; F166-P309 HydrophobicContact CE1-CG 4.31Å; D287-P309 WeakPolarHBondContact O-CD 3.47Å
310	E	90.6	Very high	88.5	Confident	91 Å²	91	53 Å²	53	43%	0.425	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-28.3	-176.5	-54.8	-53	148.1	0	0	113	K164 G165 G308	K164-E310 WeakPolarHBondContact CE-OE2 3.28Å; K164-E310 WeakPolarHBondContact CG-OE1 3.44Å; K164-E310 WeakPolarHBondContact CG-OE2 3.42Å; K164-E310 IonicContact NZ-OE2 2.67Å; K164-E310 PolarHBondContact NZ-OE2 3.23Å; G165-E310 PolarHBondContact N-OE1 3.03Å; G308-E310 VanDerWaalsContact C-N 3.34Å; G308-E310 PolarHBondContact O-N 3.49Å
311	E	88.4	Confident	88	Confident	48 Å²	48	50.6 Å²	50.6	22%	0.224	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-18.3	-175.6	-46.1	-81.1	-161.3	0	0	112.8	K288 S314 H325	K288-E311 HydrophobicContact CD-CG 4.07Å; K288-E311 IonicContact NZ-OE1 3.72Å; K288-E311 PolarHBondContact NZ-OE1 2.78Å; E311-S314 PolarHBondContact O-OG 3.13Å; E311-H325 PolarHBondContact O-ND1 3.02Å
312	G	94.8	Very high	87.6	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66	-133.2	-167.8	0	0	0	0	0	111.4	I307 G308	I307-G312 WeakPolarHBondContact CA-O 3.3Å; G308-G312 PolarHBondContact N-O 2.91Å; G308-G312 PolarHBondContact O-N 3.21Å
313	I	96.8	Very high	87.4	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.4	165	-54	175.5	0	0	0	107.1	L305 I307 L326 A327 F329 V332 L351 I377	L305-I313 HydrophobicContact CD2-CG2 4.28Å; I307-I313 HydrophobicContact CD1-CG2 4.43Å; I313-L326 HydrophobicContact CG2-CD1 4.42Å; I313-L326 WeakPolarHBondContact O-CB 3.45Å; I313-L326 PolarHBondContact O-N 3.36Å; I313-A327 PolarHBondContact N-O 3.21Å; I313-A327 PolarHBondContact O-N 2.9Å; I313-F329 HydrophobicContact CD1-CD1 4.37Å; I313-F329 HydrophobicContact CD1-CE1 4.37Å; I313-F329 HydrophobicContact CG1-CD1 4.08Å; I313-F329 HydrophobicContact CG1-CE1 3.7Å; I313-F329 HydrophobicContact CG1-CZ 4.49Å; I313-V332 HydrophobicContact CD1-CG2 4.11Å; I313-L351 HydrophobicContact CD1-CD1 4.13Å; I313-I377 HydrophobicContact CD1-CD1 4.12Å; I313-I377 HydrophobicContact CD1-CG1 4.39Å; I313-I377 HydrophobicContact CD1-CG2 4.12Å
314	S	95.8	Very high	87.3	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.8	-179.4	-70.7	0	0	0	0	111.3	L305 A306 E311 T324 H325	L305-S314 WeakPolarHBondContact CA-O 3.34Å; L305-S314 VanDerWaalsContact CD2-O 3.24Å; L305-S314 WeakPolarHBondContact CD2-O 3.46Å; A306-S314 PolarHBondContact N-O 3.33Å; A306-S314 PolarHBondContact O-N 3.02Å; A306-S314 VanDerWaalsContact O-O 3.13Å; E311-S314 PolarHBondContact O-OG 3.13Å; S314-T324 CarbonylContact C-O 3.59Å; S314-T324 VanDerWaalsContact CA-O 3.25Å; S314-T324 WeakPolarHBondContact CA-O 3.3Å; S314-T324 WeakPolarHBondContact CB-O 3.47Å; S314-H325 WeakPolarHBondContact OG-CA 3.22Å
315	Y	93.9	Very high	87.4	Confident	59 Å²	59	50.6 Å²	50.6	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.4	173	75.7	-83.7	0	0	0	113.1	L295 V303 T317 P323 T324 L326	L295-Y315 HydrophobicContact CD1-CD1 4.22Å; L295-Y315 HydrophobicContact CD1-CG 4.18Å; V303-Y315 HydrophobicContact CB-CD2 4.12Å; V303-Y315 HydrophobicContact CG1-CD2 3.63Å; V303-Y315 HydrophobicContact CG1-CE2 4.24Å; V303-Y315 HydrophobicContact CG1-CG 4.29Å; Y315-T317 HydrophobicContact CD2-CG2 4.44Å; Y315-T317 HydrophobicContact CE2-CG2 3.95Å; Y315-P323 WeakPolarHBondContact O-CA 3.4Å; Y315-T324 HydrophobicContact CD1-CG2 4.29Å; Y315-T324 WeakPolarHBondContact CD1-O 3.41Å; Y315-T324 VanDerWaalsContact CE1-CB 3.48Å; Y315-T324 HydrophobicContact CE1-CG2 3.48Å; Y315-T324 VanDerWaalsContact CE1-CG2 3.48Å; Y315-T324 PolarHBondContact N-O 3.26Å; Y315-T324 PolarHBondContact O-N 3.42Å; Y315-L326 HydrophobicContact CD1-CD1 3.89Å; Y315-L326 HydrophobicContact CD1-CD2 3.7Å; Y315-L326 HydrophobicContact CD1-CG 3.79Å; Y315-L326 HydrophobicContact CE1-CD2 3.71Å; Y315-L326 HydrophobicContact CE1-CG 4.29Å
316	L	89.8	Confident	87.3	Confident	21 Å²	21	53.4 Å²	53.4	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.1	170.1	-65.3	88.7	0	0	0	109.6	E304 A306 S321 P323	E304-L316 PolarHBondContact N-O 3.45Å; E304-L316 VanDerWaalsContact N-O 3.12Å; E304-L316 PolarHBondContact O-N 2.8Å; A306-L316 HydrophobicContact CB-CD1 3.64Å; L316-S321 WeakPolarHBondContact CD2-O 3.48Å; L316-P323 HydrophobicContact CD1-CB 4.39Å; L316-P323 HydrophobicContact CD1-CG 4.23Å; L316-P323 HydrophobicContact CG-CG 4.35Å
317	T	78.7	Confident	87.4	Confident	91 Å²	91	53.5 Å²	53.5	56%	0.558	30%	0.301	S	S	*	.	S	Bend	trans	-87	-39	167.5	58.3	0	0	0	0	111	Y315	Y315-T317 HydrophobicContact CD2-CG2 4.44Å; Y315-T317 HydrophobicContact CE2-CG2 3.95Å
318	D	76.6	Confident	87.3	Confident	110 Å²	110	56.8 Å²	56.8	59%	0.588	32%	0.319	S	S	*	.	S	Bend	trans	-136.4	149.8	-170.8	-61.9	-86.9	0	0	0	111.7	G320 S321	D318-G320 PolarHBondContact O-N 2.72Å; D318-S321 PolarHBondContact N-OG 3.08Å; D318-S321 WeakPolarHBondContact O-CB 3.28Å; D318-S321 PolarHBondContact O-N 3.18Å; D318-S321 PolarHBondContact O-OG 3.17Å
319	K	62	Low	87.4	Confident	191 Å²	191	57.4 Å²	57.4	83%	0.83	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	102.9	176.6	-71.8	-172.5	172.9	-170.9	0	111
320	G	62.4	Low	87.4	Confident	79 Å²	79	62.3 Å²	62.3	81%	0.814	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	-1.5	-176.2	0	0	0	0	0	114.5	D318	D318-G320 PolarHBondContact O-N 2.72Å
321	S	73.5	Confident	87.6	Confident	34 Å²	34	61 Å²	61	24%	0.238	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.2	166.5	59.2	0	0	0	0	111.3	L316 D318	L316-S321 WeakPolarHBondContact CD2-O 3.48Å; D318-S321 PolarHBondContact N-OG 3.08Å; D318-S321 WeakPolarHBondContact O-CB 3.28Å; D318-S321 PolarHBondContact O-N 3.18Å; D318-S321 PolarHBondContact O-OG 3.17Å
322	T	79.5	Confident	88	Confident	122 Å²	122	59 Å²	59	75%	0.748	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-67.6	129.5	168.6	46.8	0	0	0	0	109.2	T324	T322-T324 PolarHBondContact O-N 3.15Å
323	P	87.4	Confident	88	Confident	38 Å²	38	64.1 Å²	64.1	25%	0.247	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-57	132.8	179.5	-24.8	34.6	0	0	0	111.9	Y315 L316	Y315-P323 WeakPolarHBondContact O-CA 3.4Å; L316-P323 HydrophobicContact CD1-CB 4.39Å; L316-P323 HydrophobicContact CD1-CG 4.23Å; L316-P323 HydrophobicContact CG-CG 4.35Å
324	T	92.6	Very high	87.9	Confident	66 Å²	66	65.1 Å²	65.1	41%	0.405	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.6	173.9	-58.1	0	0	0	0	108.5	S314 Y315 T322	S314-T324 CarbonylContact C-O 3.59Å; S314-T324 VanDerWaalsContact CA-O 3.25Å; S314-T324 WeakPolarHBondContact CA-O 3.3Å; S314-T324 WeakPolarHBondContact CB-O 3.47Å; Y315-T324 HydrophobicContact CD1-CG2 4.29Å; Y315-T324 WeakPolarHBondContact CD1-O 3.41Å; Y315-T324 VanDerWaalsContact CE1-CB 3.48Å; Y315-T324 HydrophobicContact CE1-CG2 3.48Å; Y315-T324 VanDerWaalsContact CE1-CG2 3.48Å; Y315-T324 PolarHBondContact N-O 3.26Å; Y315-T324 PolarHBondContact O-N 3.42Å; T322-T324 PolarHBondContact O-N 3.15Å
325	H	94.8	Very high	87.9	Confident	88 Å²	88	65 Å²	65	41%	0.407	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.9	-176	-175.5	81.6	0	0	0	112.2	E311 S314 A327 N328	E311-H325 PolarHBondContact O-ND1 3.02Å; S314-H325 WeakPolarHBondContact OG-CA 3.22Å; H325-A327 PolarHBondContact CE1-O 2.86Å; H325-A327 VanDerWaalsContact CE1-O 3.23Å; H325-N328 PolarHBondContact CE1-OD1 3.49Å; H325-N328 PolarHBondContact NE2-ND2 2.82Å
326	L	94.2	Very high	87.9	Confident	61 Å²	61	65.3 Å²	65.3	32%	0.319	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-49.6	178.3	-63	172.1	0	0	0	111.7	L295 L305 I313 Y315 L360	L295-L326 HydrophobicContact CD1-CD1 3.84Å; L305-L326 HydrophobicContact CD2-CD1 3.94Å; I313-L326 HydrophobicContact CG2-CD1 4.42Å; I313-L326 WeakPolarHBondContact O-CB 3.45Å; I313-L326 PolarHBondContact O-N 3.36Å; Y315-L326 HydrophobicContact CD1-CD1 3.89Å; Y315-L326 HydrophobicContact CD1-CD2 3.7Å; Y315-L326 HydrophobicContact CD1-CG 3.79Å; Y315-L326 HydrophobicContact CE1-CD2 3.71Å; Y315-L326 HydrophobicContact CE1-CG 4.29Å; L326-L360 HydrophobicContact CB-CD2 4.23Å; L326-L360 HydrophobicContact CD1-CD2 4.01Å
327	A	95.7	Very high	87.9	Confident	1 Å²	1	69 Å²	69	1%	0.008	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	153.8	-177.1	0	0	0	0	0	112.7	I313 H325 V353	I313-A327 PolarHBondContact N-O 3.21Å; I313-A327 PolarHBondContact O-N 2.9Å; H325-A327 PolarHBondContact CE1-O 2.86Å; H325-A327 VanDerWaalsContact CE1-O 3.23Å; A327-V353 HydrophobicContact CB-CG1 3.9Å; A327-V353 HydrophobicContact CB-CG2 4.27Å
328	N	96	Very high	88.4	Confident	70 Å²	70	67 Å²	67	37%	0.374	37%	0.367	S	S	.	.			trans	-91.7	151.9	166.3	-60.7	-84.5	0	0	0	110.3	H325 N330 Q331	H325-N328 PolarHBondContact CE1-OD1 3.49Å; H325-N328 PolarHBondContact NE2-ND2 2.82Å; N328-N330 VanDerWaalsContact C-N 3.26Å; N328-N330 WeakPolarHBondContact CB-OD1 3.43Å; N328-N330 PolarHBondContact O-N 3.15Å; N328-Q331 HydrophobicContact CB-CG 4.29Å; N328-Q331 PolarHBondContact ND2-OE1 2.83Å; N328-Q331 WeakPolarHBondContact O-CB 3.48Å; N328-Q331 PolarHBondContact O-N 2.82Å
329	F	96.5	Very high	88.9	Confident	13 Å²	13	64.4 Å²	64.4	6%	0.057	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-60.8	-33.5	-177.4	-55.1	-66.7	0	0	0	113.3	I307 I313 Q331 V332 Y380 V384	I307-F329 HydrophobicContact CG2-CE1 3.73Å; I307-F329 HydrophobicContact CG2-CZ 3.68Å; I313-F329 HydrophobicContact CD1-CD1 4.37Å; I313-F329 HydrophobicContact CD1-CE1 4.37Å; I313-F329 HydrophobicContact CG1-CD1 4.08Å; I313-F329 HydrophobicContact CG1-CE1 3.7Å; I313-F329 HydrophobicContact CG1-CZ 4.49Å; F329-Q331 PolarHBondContact O-N 2.85Å; F329-V332 PolarHBondContact O-N 3.5Å; F329-V332 VanDerWaalsContact O-N 3.16Å; F329-Y380 VanDerWaalsContact CD1-CB 3.46Å; F329-Y380 HydrophobicContact CD1-CG 4.18Å; F329-Y380 HydrophobicContact CD2-CD1 4.08Å; F329-Y380 HydrophobicContact CD2-CG 4.09Å; F329-Y380 AromaticContact CE1-CD2 3.94Å; F329-Y380 HydrophobicContact CE1-CD2 3.94Å; F329-Y380 AromaticContact CE1-CG 3.84Å; F329-Y380 HydrophobicContact CE1-CG 3.84Å; F329-Y380 AromaticContact CE2-CD1 3.7Å; F329-Y380 HydrophobicContact CE2-CD1 3.7Å; F329-Y380 HydrophobicContact CE2-CD2 4.31Å; F329-Y380 HydrophobicContact CE2-CE1 4.28Å; F329-Y380 AromaticContact CE2-CG 3.74Å; F329-Y380 HydrophobicContact CE2-CG 3.74Å; F329-Y380 HydrophobicContact CG-CG 4.3Å; F329-Y380 AromaticContact CZ-CD1 4Å; F329-Y380 HydrophobicContact CZ-CD1 4Å; F329-Y380 AromaticContact CZ-CD2 3.75Å; F329-Y380 HydrophobicContact CZ-CD2 3.75Å; F329-Y380 HydrophobicContact CZ-CE2 4.32Å; F329-Y380 AromaticContact CZ-CG 3.61Å; F329-Y380 HydrophobicContact CZ-CG 3.61Å; F329-V384 HydrophobicContact CB-CG2 4.37Å; F329-V384 HydrophobicContact CD2-CG2 4.48Å
330	N	94.4	Very high	89.8	Confident	118 Å²	118	58.6 Å²	58.6	63%	0.631	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-71.9	-2.2	174.2	67.7	-20.7	0	0	0	114.6	N328 V384	N328-N330 VanDerWaalsContact C-N 3.26Å; N328-N330 WeakPolarHBondContact CB-OD1 3.43Å; N328-N330 PolarHBondContact O-N 3.15Å; N330-V384 HydrophobicContact CB-CG1 3.94Å
331	Q	95.7	Very high	90.2	Very high	63 Å²	63	63 Å²	63	29%	0.294	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-98.3	-11.8	171.4	-58.8	175.8	-94.4	0	0	112.2	N328 F329 Q333 V353 A354	N328-Q331 HydrophobicContact CB-CG 4.29Å; N328-Q331 PolarHBondContact ND2-OE1 2.83Å; N328-Q331 WeakPolarHBondContact O-CB 3.48Å; N328-Q331 PolarHBondContact O-N 2.82Å; F329-Q331 PolarHBondContact O-N 2.85Å; Q331-Q333 PolarHBondContact O-N 2.92Å; Q331-V353 HydrophobicContact CB-CG1 3.87Å; Q331-V353 CarbonylContact O-C 3.58Å; Q331-V353 WeakPolarHBondContact O-CA 3.47Å; Q331-A354 HydrophobicContact CB-CB 4.49Å; Q331-A354 WeakPolarHBondContact O-CB 3.18Å; Q331-A354 PolarHBondContact O-N 2.85Å
332	V	96.4	Very high	89.7	Confident	6 Å²	6	66.6 Å²	66.6	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.6	178.9	-178.5	0	0	0	0	109.2	I313 F329 I335 I377	I313-V332 HydrophobicContact CD1-CG2 4.11Å; F329-V332 PolarHBondContact O-N 3.5Å; F329-V332 VanDerWaalsContact O-N 3.16Å; V332-I335 HydrophobicContact CG1-CD1 4.45Å; V332-I335 HydrophobicContact CG1-CG1 3.84Å; V332-I377 HydrophobicContact CG2-CG2 4.33Å
333	Q	94.6	Very high	88.7	Confident	112 Å²	112	70.8 Å²	70.8	52%	0.523	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-33.7	-179.3	-64.6	-173.6	-27.3	0	0	112.7	Q331 N352 A354	Q331-Q333 PolarHBondContact O-N 2.92Å; Q333-N352 HydrophobicContact CB-CB 4.4Å; Q333-N352 PolarHBondContact N-O 2.86Å; Q333-N352 PolarHBondContact OE1-ND2 3.02Å; Q333-A354 HydrophobicContact CG-CB 4.11Å
334	S	95.1	Very high	87.3	Confident	22 Å²	22	73.7 Å²	73.7	15%	0.154	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	145.1	177.1	63.2	0	0	0	0	111.4	N352	S334-N352 PolarHBondContact O-N 3.29Å; S334-N352 VanDerWaalsContact OG-CB 3.26Å; S334-N352 WeakPolarHBondContact OG-CB 3.27Å
335	I	95.9	Very high	86.3	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.1	178.5	-55.7	170.4	0	0	0	108	V332 L349 L351 A374 I377 D378 F391 I392 V393	V332-I335 HydrophobicContact CG1-CD1 4.45Å; V332-I335 HydrophobicContact CG1-CG1 3.84Å; I335-L349 HydrophobicContact CG2-CD1 3.74Å; I335-L351 HydrophobicContact CB-CD2 4.26Å; I335-L351 HydrophobicContact CG1-CD2 3.89Å; I335-L351 HydrophobicContact CG2-CD2 3.94Å; I335-A374 HydrophobicContact CG2-CB 4.01Å; I335-I377 HydrophobicContact CD1-CB 4.17Å; I335-I377 HydrophobicContact CD1-CG2 3.82Å; I335-I377 HydrophobicContact CG1-CG2 4.42Å; I335-D378 HydrophobicContact CD1-CB 3.74Å; I335-F391 HydrophobicContact CD1-CB 3.98Å; I335-F391 HydrophobicContact CG1-CB 4.15Å; I335-F391 PolarHBondContact N-O 3.36Å; I335-I392 HydrophobicContact CB-CG1 4.06Å; I335-I392 HydrophobicContact CD1-CG1 4.4Å; I335-I392 HydrophobicContact CG2-CG1 4.1Å; I335-I392 CarbonylContact O-C 3.57Å; I335-I392 WeakPolarHBondContact O-CA 3.32Å; I335-V393 PolarHBondContact O-N 3.21Å
336	Q	93.3	Very high	86	Confident	66 Å²	66	79.6 Å²	79.6	31%	0.308	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.2	172.5	-65.8	-178.2	23.4	0	0	109.4	L349 Q350 V393	Q336-L349 CarbonylContact O-C 3.49Å; Q336-L349 WeakPolarHBondContact O-CA 3.35Å; Q336-Q350 PolarHBondContact N-O 2.9Å; Q336-Q350 PolarHBondContact O-N 3.47Å; Q336-V393 HydrophobicContact CG-CB 4.01Å
337	Y	91.3	Very high	85.8	Confident	97 Å²	97	76.7 Å²	76.7	38%	0.38	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.1	173.5	70.6	-91.5	0	0	0	111.4	M348 L367 E371 A374 I392	Y337-M348 CarbonylContact C-O 3.09Å; Y337-M348 WeakPolarHBondContact CA-O 3.43Å; Y337-M348 WeakPolarHBondContact CB-O 3.48Å; Y337-L367 HydrophobicContact CD2-CD1 3.96Å; Y337-L367 HydrophobicContact CE2-CD1 4.34Å; Y337-E371 HydrophobicContact CD2-CG 4.15Å; Y337-E371 HydrophobicContact CE2-CG 3.56Å; Y337-A374 HydrophobicContact CD1-CB 3.78Å; Y337-A374 HydrophobicContact CE1-CB 4.32Å; Y337-A374 HydrophobicContact CG-CB 4.46Å; Y337-I392 HydrophobicContact CD1-CG2 4.2Å; Y337-I392 HydrophobicContact CE1-CG2 3.95Å
338	S	89.3	Confident	85.6	Confident	49 Å²	49	78.9 Å²	78.9	34%	0.343	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.2	178.6	76.2	0	0	0	0	111.9	M348	S338-M348 PolarHBondContact N-O 3.33Å; S338-M348 PolarHBondContact O-N 3.44Å
339	A	86.1	Confident	85.6	Confident	57 Å²	57	75.5 Å²	75.5	47%	0.471	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.8	156.8	0	0	0	0	0	109.1	L367	A339-L367 HydrophobicContact CB-CD2 4.46Å
340	M	82	Confident	85.5	Confident	68 Å²	68	77.7 Å²	77.7	34%	0.335	37%	0.372	S	S	.	.			trans	-82.4	136.3	168.8	-160.9	171.7	-175.8	0	0	109	E342 K346 T363	M340-E342 PolarHBondContact O-N 3.47Å; M340-K346 HydrophobicContact CB-CB 4.22Å; M340-K346 PolarHBondContact N-O 3.25Å; M340-K346 HydrophobicContact SD-CB 4.32Å; M340-K346 HydrophobicContact SD-CD 4.17Å; M340-T363 HydrophobicContact SD-CG2 4.47Å
341	E	70.6	Confident	85.5	Confident	173 Å²	173	72.1 Å²	72.1	81%	0.808	34%	0.343	S	S	*	.	S	Bend	trans	-73.6	5.3	-173.3	-60.1	-172.3	162.8	0	0	113.9	K397	E341-K397 IonicContact OE1-NZ 2.84Å; E341-K397 PolarHBondContact OE1-NZ 3.26Å
342	E	62.8	Low	85.5	Confident	108 Å²	108	71.9 Å²	71.9	51%	0.505	34%	0.343	S	S	.	.	S	Bend	trans	-81.6	163.7	173.5	-65.3	-164.8	132.8	0	0	113.7	M340 D344 K346	M340-E342 PolarHBondContact O-N 3.47Å; E342-D344 PolarHBondContact O-N 3.01Å; E342-K346 IonicContact OE2-NZ 3.53Å; E342-K346 PolarHBondContact OE2-NZ 3.04Å
343	K	58	Low	85.5	Confident	210 Å²	210	72.1 Å²	72.1	91%	0.913	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.5	179.9	-68	-177.9	177.3	176	0	115.2	R345	K343-R345 PolarHBondContact O-N 2.74Å
344	D	58.8	Low	85.4	Confident	100 Å²	100	68.7 Å²	68.7	54%	0.535	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.5	-165.5	-71.7	7	0	0	0	115.1	E342 K346	E342-D344 PolarHBondContact O-N 3.01Å; D344-K346 HydrophobicContact CB-CD 4.05Å; D344-K346 VanDerWaalsContact CB-CE 3.5Å; D344-K346 HydrophobicContact CB-CG 3.96Å; D344-K346 PolarHBondContact O-N 3.35Å; D344-K346 VanDerWaalsContact O-N 3.1Å; D344-K346 WeakPolarHBondContact OD2-CE 3.5Å; D344-K346 IonicContact OD2-NZ 3.6Å; D344-K346 PolarHBondContact OD2-NZ 3.15Å
345	R	71.8	Confident	85.1	Confident	219 Å²	219	72 Å²	72	83%	0.826	37%	0.373	S	S	*	.			trans	57.3	20.1	-179	-57.9	-179.1	171.4	-174.7	-3.4	115.6	K343	K343-R345 PolarHBondContact O-N 2.74Å
346	K	87.6	Confident	84.9	Confident	58 Å²	58	74.4 Å²	74.4	25%	0.252	39%	0.393	S	S	.	.			trans	-61.5	151.2	175.8	-64.9	167	-167.3	145	0	111.2	M340 E342 D344 T363 T364	M340-K346 HydrophobicContact CB-CB 4.22Å; M340-K346 PolarHBondContact N-O 3.25Å; M340-K346 HydrophobicContact SD-CB 4.32Å; M340-K346 HydrophobicContact SD-CD 4.17Å; E342-K346 IonicContact OE2-NZ 3.53Å; E342-K346 PolarHBondContact OE2-NZ 3.04Å; D344-K346 HydrophobicContact CB-CD 4.05Å; D344-K346 VanDerWaalsContact CB-CE 3.5Å; D344-K346 HydrophobicContact CB-CG 3.96Å; D344-K346 PolarHBondContact O-N 3.35Å; D344-K346 VanDerWaalsContact O-N 3.1Å; D344-K346 WeakPolarHBondContact OD2-CE 3.5Å; D344-K346 IonicContact OD2-NZ 3.6Å; D344-K346 PolarHBondContact OD2-NZ 3.15Å; K346-T363 HydrophobicContact CB-CG2 4.48Å; K346-T363 HydrophobicContact CD-CG2 4.36Å; K346-T364 WeakPolarHBondContact CB-O 3.31Å
347	G	90.3	Very high	84.5	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	152.5	168.6	0	0	0	0	0	111	T363 T364	G347-T363 WeakPolarHBondContact O-CA 3.44Å; G347-T364 VanDerWaalsContact CA-OG1 3.29Å; G347-T364 WeakPolarHBondContact CA-OG1 2.99Å; G347-T364 PolarHBondContact N-O 3.21Å; G347-T364 VanDerWaalsContact N-O 3.11Å; G347-T364 PolarHBondContact O-N 3.03Å; G347-T364 PolarHBondContact O-OG1 3.4Å
348	M	91.8	Very high	84.4	Confident	47 Å²	47	78.6 Å²	78.6	23%	0.232	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139	167.7	-173.1	176.7	69.7	0	0	108.9	Y337 S338 Q350 T361	Y337-M348 CarbonylContact C-O 3.09Å; Y337-M348 WeakPolarHBondContact CA-O 3.43Å; Y337-M348 WeakPolarHBondContact CB-O 3.48Å; S338-M348 PolarHBondContact N-O 3.33Å; S338-M348 PolarHBondContact O-N 3.44Å; M348-Q350 HydrophobicContact CE-CG 4.18Å; M348-Q350 HydrophobicContact CG-CG 4.3Å; M348-Q350 HydrophobicContact SD-CG 4.38Å; M348-T361 HydrophobicContact CG-CG2 4.03Å; M348-T361 HydrophobicContact SD-CG2 3.98Å
349	L	94.5	Very high	84.5	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	173.2	178.2	77.1	0	0	0	107.8	I335 Q336 L351 T361 V362 L373 A374 I377	I335-L349 HydrophobicContact CG2-CD1 3.74Å; Q336-L349 CarbonylContact O-C 3.49Å; Q336-L349 WeakPolarHBondContact O-CA 3.35Å; L349-L351 HydrophobicContact CD1-CD2 4.44Å; L349-L351 HydrophobicContact CD2-CD2 4.25Å; L349-L351 HydrophobicContact CD2-CG 4.45Å; L349-L351 HydrophobicContact CG-CD2 4.2Å; L349-L351 HydrophobicContact CG-CG 4.41Å; L349-T361 WeakPolarHBondContact O-CA 3.21Å; L349-V362 HydrophobicContact CB-CB 4.28Å; L349-V362 PolarHBondContact N-O 2.64Å; L349-V362 PolarHBondContact O-N 2.98Å; L349-L373 HydrophobicContact CD2-CB 4.2Å; L349-L373 HydrophobicContact CD2-CD2 3.57Å; L349-L373 HydrophobicContact CD2-CG 3.62Å; L349-A374 HydrophobicContact CD1-CB 3.76Å; L349-I377 HydrophobicContact CD2-CD1 4.15Å
350	Q	94.4	Very high	84.8	Confident	58 Å²	58	78.2 Å²	78.2	27%	0.271	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.3	176.9	-62.2	-169	-63.5	0	0	109.6	Q336 M348 T361	Q336-Q350 PolarHBondContact N-O 2.9Å; Q336-Q350 PolarHBondContact O-N 3.47Å; M348-Q350 HydrophobicContact CE-CG 4.18Å; M348-Q350 HydrophobicContact CG-CG 4.3Å; M348-Q350 HydrophobicContact SD-CG 4.38Å; Q350-T361 HydrophobicContact CG-CG2 4.23Å; Q350-T361 PolarHBondContact NE2-OG1 2.91Å; Q350-T361 VanDerWaalsContact NE2-OG1 3.17Å
351	L	96	Very high	85.4	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.6	-177.8	-55.4	172.2	0	0	0	108.4	I313 I335 L349 V353 P359 L360 I377	I313-L351 HydrophobicContact CD1-CD1 4.13Å; I335-L351 HydrophobicContact CB-CD2 4.26Å; I335-L351 HydrophobicContact CG1-CD2 3.89Å; I335-L351 HydrophobicContact CG2-CD2 3.94Å; L349-L351 HydrophobicContact CD1-CD2 4.44Å; L349-L351 HydrophobicContact CD2-CD2 4.25Å; L349-L351 HydrophobicContact CD2-CG 4.45Å; L349-L351 HydrophobicContact CG-CD2 4.2Å; L349-L351 HydrophobicContact CG-CG 4.41Å; L351-V353 HydrophobicContact CB-CG2 4.36Å; L351-P359 CarbonylContact O-C 3.58Å; L351-P359 WeakPolarHBondContact O-CA 3.3Å; L351-L360 HydrophobicContact CB-CB 4.3Å; L351-L360 HydrophobicContact CD1-CD2 4.25Å; L351-L360 PolarHBondContact N-O 3.26Å; L351-L360 PolarHBondContact O-N 2.94Å; L351-I377 HydrophobicContact CD1-CD1 3.72Å; L351-I377 HydrophobicContact CD2-CD1 4.09Å; L351-I377 HydrophobicContact CD2-CG2 4.35Å
352	N	95.2	Very high	86.6	Confident	58 Å²	58	67.2 Å²	67.2	31%	0.31	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.7	168.9	-176.3	21.2	0	0	0	108.5	Q333 S334	Q333-N352 HydrophobicContact CB-CB 4.4Å; Q333-N352 PolarHBondContact N-O 2.86Å; Q333-N352 PolarHBondContact OE1-ND2 3.02Å; S334-N352 PolarHBondContact O-N 3.29Å; S334-N352 VanDerWaalsContact OG-CB 3.26Å; S334-N352 WeakPolarHBondContact OG-CB 3.27Å
353	V	95.2	Very high	88.1	Confident	12 Å²	12	63.3 Å²	63.3	7%	0.073	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.2	-173.4	-178.3	0	0	0	0	109.6	A327 Q331 L351 G355 A356	A327-V353 HydrophobicContact CB-CG1 3.9Å; A327-V353 HydrophobicContact CB-CG2 4.27Å; Q331-V353 HydrophobicContact CB-CG1 3.87Å; Q331-V353 CarbonylContact O-C 3.58Å; Q331-V353 WeakPolarHBondContact O-CA 3.47Å; L351-V353 HydrophobicContact CB-CG2 4.36Å; V353-G355 PolarHBondContact O-N 2.86Å; V353-G355 VanDerWaalsContact O-N 3.12Å; V353-A356 HydrophobicContact CB-CB 4.15Å; V353-A356 WeakPolarHBondContact O-CB 3.4Å; V353-A356 PolarHBondContact O-N 2.91Å
354	A	94.1	Very high	89.7	Confident	40 Å²	40	53.4 Å²	53.4	33%	0.331	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	114.3	-179.1	0	0	0	0	0	111.5	Q331 Q333	Q331-A354 HydrophobicContact CB-CB 4.49Å; Q331-A354 WeakPolarHBondContact O-CB 3.18Å; Q331-A354 PolarHBondContact O-N 2.85Å; Q333-A354 HydrophobicContact CG-CB 4.11Å
355	G	88.8	Confident	91.2	Very high	90 Å²	90	52.6 Å²	52.6	93%	0.928	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-6.1	-178.1	0	0	0	0	0	115.2	V353	V353-G355 PolarHBondContact O-N 2.86Å; V353-G355 VanDerWaalsContact O-N 3.12Å
356	A	91.2	Very high	92.1	Very high	52 Å²	52	43.9 Å²	43.9	43%	0.43	29%	0.294	S	S	.	.			trans	-80.7	145.2	168.3	0	0	0	0	0	110.9	V353	V353-A356 HydrophobicContact CB-CB 4.15Å; V353-A356 WeakPolarHBondContact O-CB 3.4Å; V353-A356 PolarHBondContact O-N 2.91Å
357	A	85.1	Confident	92.2	Very high	112 Å²	112	43.9 Å²	43.9	93%	0.926	30%	0.296	S	S	*	.	S	Bend	trans	-85.1	-22.5	177	0	0	0	0	0	113.4
358	E	88.6	Confident	92.1	Very high	139 Å²	139	45.8 Å²	45.8	65%	0.65	31%	0.307	S	S	*	.	S	Bend	trans	-132.6	149.7	175.7	-68.5	-171.8	-176.9	0	0	109.6
359	P	91	Very high	92.1	Very high	59 Å²	59	45.2 Å²	45.2	38%	0.383	31%	0.307	S	S	.	.			trans	-70.2	134.6	177.4	29.2	-34.6	0	0	0	111.4	L351 T361	L351-P359 CarbonylContact O-C 3.58Å; L351-P359 WeakPolarHBondContact O-CA 3.3Å; P359-T361 PolarHBondContact O-N 2.83Å; P359-T361 PolarHBondContact O-OG1 2.65Å
360	L	93.6	Very high	92.1	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	107.9	175.4	173.9	61	0	0	0	109	L295 L326 L351 V362	L295-L360 HydrophobicContact CD2-CD1 4.33Å; L326-L360 HydrophobicContact CB-CD2 4.23Å; L326-L360 HydrophobicContact CD1-CD2 4.01Å; L351-L360 HydrophobicContact CB-CB 4.3Å; L351-L360 HydrophobicContact CD1-CD2 4.25Å; L351-L360 PolarHBondContact N-O 3.26Å; L351-L360 PolarHBondContact O-N 2.94Å; L360-V362 HydrophobicContact CG-CG2 4.42Å
361	T	94.1	Very high	92	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.3	-177.8	-61	0	0	0	0	109.9	L295 G296 M348 L349 Q350 P359	L295-T361 WeakPolarHBondContact CA-O 3.32Å; G296-T361 PolarHBondContact N-O 3.14Å; M348-T361 HydrophobicContact CG-CG2 4.03Å; M348-T361 HydrophobicContact SD-CG2 3.98Å; L349-T361 WeakPolarHBondContact O-CA 3.21Å; Q350-T361 HydrophobicContact CG-CG2 4.23Å; Q350-T361 PolarHBondContact NE2-OG1 2.91Å; Q350-T361 VanDerWaalsContact NE2-OG1 3.17Å; P359-T361 PolarHBondContact O-N 2.83Å; P359-T361 PolarHBondContact O-OG1 2.65Å
362	V	95.5	Very high	91.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.7	-177.9	-171.7	0	0	0	0	109	C293 A294 L295 L305 L349 L360 L373	C293-V362 HydrophobicContact CB-CG1 3.83Å; A294-V362 CarbonylContact O-C 3.46Å; A294-V362 WeakPolarHBondContact O-CA 3.41Å; L295-V362 HydrophobicContact CD2-CB 4.31Å; L295-V362 HydrophobicContact CD2-CG1 4.14Å; L295-V362 HydrophobicContact CD2-CG2 3.74Å; L305-V362 HydrophobicContact CD1-CG1 3.72Å; L305-V362 HydrophobicContact CD1-CG2 4.2Å; L349-V362 HydrophobicContact CB-CB 4.28Å; L349-V362 PolarHBondContact N-O 2.64Å; L349-V362 PolarHBondContact O-N 2.98Å; L360-V362 HydrophobicContact CG-CG2 4.42Å; V362-L373 HydrophobicContact CG1-CD2 4.16Å
363	T	93.9	Very high	92	Very high	26 Å²	26	42.2 Å²	42.2	16%	0.16	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	177.4	-59.8	0	0	0	0	109.8	C293 A294 M340 K346 G347	C293-T363 CarbonylContact C-O 3.43Å; C293-T363 WeakPolarHBondContact CA-O 3.48Å; C293-T363 WeakPolarHBondContact CB-O 3.46Å; A294-T363 PolarHBondContact N-O 2.97Å; A294-T363 PolarHBondContact O-N 2.92Å; M340-T363 HydrophobicContact SD-CG2 4.47Å; K346-T363 HydrophobicContact CB-CG2 4.48Å; K346-T363 HydrophobicContact CD-CG2 4.36Å; G347-T363 WeakPolarHBondContact O-CA 3.44Å
364	T	93.2	Very high	92	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	157.5	-175	61	0	0	0	0	112.1	C293 K346 G347 S366 T369 A370 L373	C293-T364 HydrophobicContact CB-CG2 4.42Å; K346-T364 WeakPolarHBondContact CB-O 3.31Å; G347-T364 VanDerWaalsContact CA-OG1 3.29Å; G347-T364 WeakPolarHBondContact CA-OG1 2.99Å; G347-T364 PolarHBondContact N-O 3.21Å; G347-T364 VanDerWaalsContact N-O 3.11Å; G347-T364 PolarHBondContact O-N 3.03Å; G347-T364 PolarHBondContact O-OG1 3.4Å; T364-S366 PolarHBondContact O-N 2.82Å; T364-S366 VanDerWaalsContact O-N 3.15Å; T364-S366 PolarHBondContact OG1-O 3.17Å; T364-T369 HydrophobicContact CG2-CG2 4.07Å; T364-A370 HydrophobicContact CG2-CB 4.33Å; T364-L373 HydrophobicContact CG2-CD2 4.27Å
365	A	90.4	Very high	92.1	Very high	83 Å²	83	40 Å²	40	69%	0.686	27%	0.273	S	S	*	.	S	Bend	trans	-62.1	-20.8	179.1	0	0	0	0	0	114.4
366	S	90.3	Very high	92.5	Very high	36 Å²	36	35.7 Å²	35.7	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-153.5	160.5	175.1	76.3	0	0	0	0	112	T364 T368 T369 A370	T364-S366 PolarHBondContact O-N 2.82Å; T364-S366 VanDerWaalsContact O-N 3.15Å; T364-S366 PolarHBondContact OG1-O 3.17Å; S366-T368 VanDerWaalsContact C-N 3.32Å; S366-T368 PolarHBondContact O-N 3.46Å; S366-T368 PolarHBondContact OG-N 3.5Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 3.29Å; S366-T369 VanDerWaalsContact O-N 3.15Å; S366-T369 PolarHBondContact OG-N 3.17Å; S366-T369 VanDerWaalsContact OG-N 3.07Å; S366-T369 PolarHBondContact OG-OG1 3.11Å; S366-A370 PolarHBondContact O-N 3.25Å
367	L	88.8	Confident	92.8	Very high	58 Å²	58	33.3 Å²	33.3	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-56.1	-43.8	169.4	-180	60.9	0	0	0	112	Y337 A339 T369 A370 E371	Y337-L367 HydrophobicContact CD2-CD1 3.96Å; Y337-L367 HydrophobicContact CE2-CD1 4.34Å; A339-L367 HydrophobicContact CB-CD2 4.46Å; L367-T369 PolarHBondContact O-N 3.26Å; L367-A370 CarbonylContact O-C 3.57Å; L367-A370 WeakPolarHBondContact O-CA 3.32Å; L367-A370 WeakPolarHBondContact O-CB 3.1Å; L367-A370 PolarHBondContact O-N 3.06Å; L367-E371 HydrophobicContact CG-CG 4.41Å; L367-E371 PolarHBondContact O-N 2.81Å
368	T	89.4	Confident	93.4	Very high	39 Å²	39	28 Å²	28	24%	0.239	17%	0.165	C	C	.	.	H	α-helix	trans	-55.1	-38.2	175.7	-53.4	0	0	0	0	112.2	L128 H129 S366 A370 E371 N372	L128-T368 WeakPolarHBondContact O-CG2 3.03Å; H129-T368 WeakPolarHBondContact CE1-CG2 3.32Å; H129-T368 PolarHBondContact CE1-OG1 2.84Å; H129-T368 WeakPolarHBondContact ND1-CG2 3.49Å; S366-T368 VanDerWaalsContact C-N 3.32Å; S366-T368 PolarHBondContact O-N 3.46Å; S366-T368 PolarHBondContact OG-N 3.5Å; T368-A370 VanDerWaalsContact C-N 3.34Å; T368-E371 PolarHBondContact O-N 3.09Å; T368-N372 WeakPolarHBondContact O-CB 3.46Å; T368-N372 PolarHBondContact O-N 2.95Å; T368-N372 PolarHBondContact O-ND2 2.93Å
369	T	91.9	Very high	93.8	Very high	35 Å²	35	21.4 Å²	21.4	22%	0.215	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-34.2	175.7	-46.2	0	0	0	0	111.8	F291 T364 S366 L367 L373	F291-T369 HydrophobicContact CD1-CG2 4.05Å; T364-T369 HydrophobicContact CG2-CG2 4.07Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 3.29Å; S366-T369 VanDerWaalsContact O-N 3.15Å; S366-T369 PolarHBondContact OG-N 3.17Å; S366-T369 VanDerWaalsContact OG-N 3.07Å; S366-T369 PolarHBondContact OG-OG1 3.11Å; L367-T369 PolarHBondContact O-N 3.26Å; T369-L373 WeakPolarHBondContact O-CB 3.49Å; T369-L373 PolarHBondContact O-N 3.26Å; T369-L373 VanDerWaalsContact O-N 3.14Å
370	A	92.7	Very high	94.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.2	-40.4	174.1	0	0	0	0	0	112.1	T364 S366 L367 T368 L373 A374	T364-A370 HydrophobicContact CG2-CB 4.33Å; S366-A370 PolarHBondContact O-N 3.25Å; L367-A370 CarbonylContact O-C 3.57Å; L367-A370 WeakPolarHBondContact O-CA 3.32Å; L367-A370 WeakPolarHBondContact O-CB 3.1Å; L367-A370 PolarHBondContact O-N 3.06Å; T368-A370 VanDerWaalsContact C-N 3.34Å; A370-L373 PolarHBondContact O-N 2.81Å; A370-A374 WeakPolarHBondContact O-CB 3.44Å; A370-A374 PolarHBondContact O-N 3.23Å
371	E	92.5	Very high	94.2	Very high	39 Å²	39	17.1 Å²	17.1	18%	0.182	11%	0.109	C	C	.	.	H	α-helix	trans	-56.9	-52.7	172.1	-70.1	179.5	146.1	0	0	110.8	H129 K143 Y337 L367 T368 L373 A374 D375	H129-E371 IonicContact ND1-OE2 3.47Å; K143-E371 IonicContact NZ-OE1 2.67Å; Y337-E371 HydrophobicContact CD2-CG 4.15Å; Y337-E371 HydrophobicContact CE2-CG 3.56Å; L367-E371 HydrophobicContact CG-CG 4.41Å; L367-E371 PolarHBondContact O-N 2.81Å; T368-E371 PolarHBondContact O-N 3.09Å; E371-L373 PolarHBondContact O-N 3.21Å; E371-A374 PolarHBondContact O-N 2.84Å; E371-D375 PolarHBondContact O-N 3.37Å
372	N	94.9	Very high	94.3	Very high	16 Å²	16	17.6 Å²	17.6	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-29.4	179.6	-71.8	-17.2	0	0	0	113.1	L128 H129 W130 R160 T368 L376	L128-N372 PolarHBondContact O-ND2 2.76Å; H129-N372 WeakPolarHBondContact CA-OD1 3.34Å; W130-N372 PolarHBondContact N-OD1 2.93Å; R160-N372 PolarHBondContact NH1-O 3.23Å; R160-N372 PolarHBondContact NH2-O 3.07Å; T368-N372 WeakPolarHBondContact O-CB 3.46Å; T368-N372 PolarHBondContact O-N 2.95Å; T368-N372 PolarHBondContact O-ND2 2.93Å; N372-L376 PolarHBondContact O-N 3.26Å
373	L	96.1	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-81.9	-37.1	178	-173.3	61.4	0	0	0	112	F291 L305 I307 L349 V362 T364 T369 A370 E371 L376 I377	F291-L373 HydrophobicContact CD1-CD1 4.16Å; F291-L373 HydrophobicContact CD2-CD1 3.64Å; F291-L373 HydrophobicContact CE1-CB 4.34Å; F291-L373 HydrophobicContact CE1-CD1 4.24Å; F291-L373 HydrophobicContact CE2-CD1 3.72Å; F291-L373 HydrophobicContact CG-CD1 3.87Å; F291-L373 HydrophobicContact CZ-CD1 4.03Å; L305-L373 HydrophobicContact CD1-CD2 4.29Å; I307-L373 HydrophobicContact CD1-CD1 3.54Å; L349-L373 HydrophobicContact CD2-CB 4.2Å; L349-L373 HydrophobicContact CD2-CD2 3.57Å; L349-L373 HydrophobicContact CD2-CG 3.62Å; V362-L373 HydrophobicContact CG1-CD2 4.16Å; T364-L373 HydrophobicContact CG2-CD2 4.27Å; T369-L373 WeakPolarHBondContact O-CB 3.49Å; T369-L373 PolarHBondContact O-N 3.26Å; T369-L373 VanDerWaalsContact O-N 3.14Å; A370-L373 PolarHBondContact O-N 2.81Å; E371-L373 PolarHBondContact O-N 3.21Å; L373-L376 PolarHBondContact O-N 3.43Å; L373-I377 HydrophobicContact CD1-CD1 4.45Å; L373-I377 HydrophobicContact CG-CD1 4.35Å; L373-I377 WeakPolarHBondContact O-CG1 3.37Å; L373-I377 PolarHBondContact O-N 3.25Å; L373-I377 VanDerWaalsContact O-N 3.16Å
374	A	95.9	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-48.9	173.5	0	0	0	0	0	111.2	I335 Y337 L349 A370 E371 L376 I377 D378 I392	I335-A374 HydrophobicContact CG2-CB 4.01Å; Y337-A374 HydrophobicContact CD1-CB 3.78Å; Y337-A374 HydrophobicContact CE1-CB 4.32Å; Y337-A374 HydrophobicContact CG-CB 4.46Å; L349-A374 HydrophobicContact CD1-CB 3.76Å; A370-A374 WeakPolarHBondContact O-CB 3.44Å; A370-A374 PolarHBondContact O-N 3.23Å; E371-A374 PolarHBondContact O-N 2.84Å; A374-L376 VanDerWaalsContact C-N 3.31Å; A374-L376 PolarHBondContact O-N 3.07Å; A374-I377 PolarHBondContact O-N 3.18Å; A374-D378 VanDerWaalsContact O-CB 3.22Å; A374-D378 WeakPolarHBondContact O-CB 3.38Å; A374-D378 PolarHBondContact O-N 3.06Å; A374-I392 HydrophobicContact CB-CD1 4.13Å
375	D	96.3	Very high	94.1	Very high	4 Å²	4	23 Å²	23	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-39.2	177.1	175.3	73.5	0	0	0	112.5	W130 H132 R160 Y161 E371 D378 G379	W130-D375 WeakPolarHBondContact CB-OD2 3.49Å; H132-D375 IonicContact CD2-OD1 3.53Å; R160-D375 IonicContact CZ-OD2 3.62Å; R160-D375 IonicContact NH1-OD2 3.2Å; R160-D375 PolarHBondContact NH1-OD2 3.02Å; Y161-D375 PolarHBondContact OH-OD1 2.92Å; Y161-D375 PolarHBondContact OH-OD2 2.88Å; E371-D375 PolarHBondContact O-N 3.37Å; D375-D378 PolarHBondContact O-N 3.41Å; D375-G379 PolarHBondContact O-N 2.97Å
376	L	97.7	Very high	94	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-51.7	176.9	-172.9	62.3	0	0	0	111.3	R160 Y161 E289 F291 I307 N372 L373 A374 G379 Y380	R160-L376 HydrophobicContact CG-CD1 3.86Å; Y161-L376 HydrophobicContact CD1-CD1 4.37Å; E289-L376 HydrophobicContact CB-CD2 3.89Å; E289-L376 HydrophobicContact CG-CD2 4.32Å; F291-L376 HydrophobicContact CE2-CD2 3.62Å; F291-L376 HydrophobicContact CZ-CD2 4.13Å; I307-L376 HydrophobicContact CB-CD2 3.84Å; I307-L376 HydrophobicContact CD1-CD2 4.47Å; I307-L376 HydrophobicContact CG2-CD2 3.76Å; I307-L376 HydrophobicContact CG2-CG 4.05Å; N372-L376 PolarHBondContact O-N 3.26Å; L373-L376 PolarHBondContact O-N 3.43Å; A374-L376 VanDerWaalsContact C-N 3.31Å; A374-L376 PolarHBondContact O-N 3.07Å; L376-G379 PolarHBondContact O-N 3.31Å; L376-Y380 HydrophobicContact CD1-CD2 4.05Å; L376-Y380 HydrophobicContact CD1-CE2 3.62Å; L376-Y380 HydrophobicContact CG-CD2 4.09Å; L376-Y380 HydrophobicContact CG-CE2 4Å; L376-Y380 WeakPolarHBondContact O-CD2 3.16Å; L376-Y380 PolarHBondContact O-N 3.2Å; L376-Y380 VanDerWaalsContact O-N 3.07Å
377	I	97.7	Very high	93.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-42.3	-178	-63	171.7	0	0	0	110	I307 I313 V332 I335 L349 L351 L373 A374 G379 Y380 C381	I307-I377 HydrophobicContact CD1-CD1 3.78Å; I307-I377 HydrophobicContact CD1-CG1 3.75Å; I313-I377 HydrophobicContact CD1-CD1 4.12Å; I313-I377 HydrophobicContact CD1-CG1 4.39Å; I313-I377 HydrophobicContact CD1-CG2 4.12Å; V332-I377 HydrophobicContact CG2-CG2 4.33Å; I335-I377 HydrophobicContact CD1-CB 4.17Å; I335-I377 HydrophobicContact CD1-CG2 3.82Å; I335-I377 HydrophobicContact CG1-CG2 4.42Å; L349-I377 HydrophobicContact CD2-CD1 4.15Å; L351-I377 HydrophobicContact CD1-CD1 3.72Å; L351-I377 HydrophobicContact CD2-CD1 4.09Å; L351-I377 HydrophobicContact CD2-CG2 4.35Å; L373-I377 HydrophobicContact CD1-CD1 4.45Å; L373-I377 HydrophobicContact CG-CD1 4.35Å; L373-I377 WeakPolarHBondContact O-CG1 3.37Å; L373-I377 PolarHBondContact O-N 3.25Å; L373-I377 VanDerWaalsContact O-N 3.16Å; A374-I377 PolarHBondContact O-N 3.18Å; I377-G379 PolarHBondContact O-N 3.13Å; I377-Y380 PolarHBondContact O-N 2.9Å; I377-C381 PolarHBondContact O-N 3.47Å; I377-C381 PolarHBondContact O-SG 3.16Å
378	D	96.9	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-40.9	177.4	-172	43.1	0	0	0	112.5	H132 I335 A374 D375 C381 R382 S390 F391 I392	H132-D378 IonicContact CD2-OD2 3.86Å; H132-D378 IonicContact NE2-OD1 3.39Å; H132-D378 CovalentContact NE2-OD2 1.77Å; H132-D378 IonicContact NE2-OD2 2.67Å; H132-D378 PolarHBondContact NE2-OD2 3.29Å; I335-D378 HydrophobicContact CD1-CB 3.74Å; A374-D378 VanDerWaalsContact O-CB 3.22Å; A374-D378 WeakPolarHBondContact O-CB 3.38Å; A374-D378 PolarHBondContact O-N 3.06Å; D375-D378 PolarHBondContact O-N 3.41Å; D378-C381 PolarHBondContact O-N 3.39Å; D378-R382 WeakPolarHBondContact O-CB 3.48Å; D378-R382 WeakPolarHBondContact O-CG 3.47Å; D378-R382 PolarHBondContact O-N 3.49Å; D378-R382 PolarHBondContact O-NE 3.02Å; D378-R382 VanDerWaalsContact O-NE 3.11Å; D378-R382 IonicContact OD2-CZ 2.73Å; D378-R382 IonicContact OD2-NE 3.87Å; D378-R382 IonicContact OD2-NH1 2.69Å; D378-R382 PolarHBondContact OD2-NH1 3.23Å; D378-R382 IonicContact OD2-NH2 2.63Å; D378-R382 PolarHBondContact OD2-NH2 3.08Å; D378-R382 VanDerWaalsContact OD2-NH2 3.16Å; D378-S390 WeakPolarHBondContact OD1-CA 3.49Å; D378-S390 PolarHBondContact OD1-OG 3.19Å; D378-S390 WeakPolarHBondContact OD2-CB 3.45Å; D378-S390 PolarHBondContact OD2-OG 3.38Å; D378-F391 PolarHBondContact OD1-N 2.78Å; D378-I392 HydrophobicContact CB-CD1 3.99Å; D378-I392 HydrophobicContact CB-CG1 4.02Å
379	G	96.4	Very high	93.4	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-43.5	172.1	0	0	0	0	0	113.1	D375 L376 I377 L383	D375-G379 PolarHBondContact O-N 2.97Å; L376-G379 PolarHBondContact O-N 3.31Å; I377-G379 PolarHBondContact O-N 3.13Å; G379-L383 VanDerWaalsContact O-CB 3.24Å; G379-L383 WeakPolarHBondContact O-CB 3.47Å; G379-L383 PolarHBondContact O-N 3.01Å
380	Y	97.9	Very high	93.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-66	-36.8	173.4	-84	-69.1	0	0	0	113.2	L162 I307 F329 L376 I377 L383 V384	L162-Y380 PolarHBondContact N-OH 3.14Å; L162-Y380 VanDerWaalsContact O-CE1 3.3Å; L162-Y380 WeakPolarHBondContact O-CE1 3.36Å; I307-Y380 HydrophobicContact CG2-CD2 4.08Å; I307-Y380 HydrophobicContact CG2-CE2 4.1Å; F329-Y380 VanDerWaalsContact CD1-CB 3.46Å; F329-Y380 HydrophobicContact CD1-CG 4.18Å; F329-Y380 HydrophobicContact CD2-CD1 4.08Å; F329-Y380 HydrophobicContact CD2-CG 4.09Å; F329-Y380 AromaticContact CE1-CD2 3.94Å; F329-Y380 HydrophobicContact CE1-CD2 3.94Å; F329-Y380 AromaticContact CE1-CG 3.84Å; F329-Y380 HydrophobicContact CE1-CG 3.84Å; F329-Y380 AromaticContact CE2-CD1 3.7Å; F329-Y380 HydrophobicContact CE2-CD1 3.7Å; F329-Y380 HydrophobicContact CE2-CD2 4.31Å; F329-Y380 HydrophobicContact CE2-CE1 4.28Å; F329-Y380 AromaticContact CE2-CG 3.74Å; F329-Y380 HydrophobicContact CE2-CG 3.74Å; F329-Y380 HydrophobicContact CG-CG 4.3Å; F329-Y380 AromaticContact CZ-CD1 4Å; F329-Y380 HydrophobicContact CZ-CD1 4Å; F329-Y380 AromaticContact CZ-CD2 3.75Å; F329-Y380 HydrophobicContact CZ-CD2 3.75Å; F329-Y380 HydrophobicContact CZ-CE2 4.32Å; F329-Y380 AromaticContact CZ-CG 3.61Å; F329-Y380 HydrophobicContact CZ-CG 3.61Å; L376-Y380 HydrophobicContact CD1-CD2 4.05Å; L376-Y380 HydrophobicContact CD1-CE2 3.62Å; L376-Y380 HydrophobicContact CG-CD2 4.09Å; L376-Y380 HydrophobicContact CG-CE2 4Å; L376-Y380 WeakPolarHBondContact O-CD2 3.16Å; L376-Y380 PolarHBondContact O-N 3.2Å; L376-Y380 VanDerWaalsContact O-N 3.07Å; I377-Y380 PolarHBondContact O-N 2.9Å; Y380-L383 PolarHBondContact O-N 2.66Å; Y380-V384 WeakPolarHBondContact O-CB 3.46Å; Y380-V384 VanDerWaalsContact O-CG2 3.28Å; Y380-V384 WeakPolarHBondContact O-CG2 3.46Å; Y380-V384 PolarHBondContact O-N 3.49Å
381	C	96.6	Very high	93.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-53.9	176.3	-65.1	0	0	0	0	110.3	I377 D378 L383 V384 S385 F391	I377-C381 PolarHBondContact O-N 3.47Å; I377-C381 PolarHBondContact O-SG 3.16Å; D378-C381 PolarHBondContact O-N 3.39Å; C381-L383 VanDerWaalsContact C-N 3.32Å; C381-L383 PolarHBondContact O-N 2.95Å; C381-V384 PolarHBondContact O-N 3.49Å; C381-V384 VanDerWaalsContact O-N 3.13Å; C381-S385 PolarHBondContact O-N 3.23Å; C381-S385 PolarHBondContact O-OG 2.82Å; C381-S385 VanDerWaalsContact O-OG 3.11Å; C381-F391 HydrophobicContact CB-CD1 4.37Å; C381-F391 HydrophobicContact CB-CD2 3.55Å; C381-F391 HydrophobicContact CB-CE1 4.37Å; C381-F391 HydrophobicContact CB-CE2 3.57Å; C381-F391 HydrophobicContact CB-CG 3.98Å; C381-F391 HydrophobicContact CB-CZ 4Å
382	R	95.2	Very high	93.5	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.068	19%	0.188	C	C	.	.	H	α-helix	trans	-52.7	-45.2	173.4	-74.9	177.8	-66	-156.3	0	113	H132 D378 V384 M386 E387 H389 F391	H132-R382 PolarHBondContact NE2-NH1 3.06Å; D378-R382 WeakPolarHBondContact O-CB 3.48Å; D378-R382 WeakPolarHBondContact O-CG 3.47Å; D378-R382 PolarHBondContact O-N 3.49Å; D378-R382 PolarHBondContact O-NE 3.02Å; D378-R382 VanDerWaalsContact O-NE 3.11Å; D378-R382 IonicContact OD2-CZ 2.73Å; D378-R382 IonicContact OD2-NE 3.87Å; D378-R382 IonicContact OD2-NH1 2.69Å; D378-R382 PolarHBondContact OD2-NH1 3.23Å; D378-R382 IonicContact OD2-NH2 2.63Å; D378-R382 PolarHBondContact OD2-NH2 3.08Å; D378-R382 VanDerWaalsContact OD2-NH2 3.16Å; R382-V384 VanDerWaalsContact C-N 3.34Å; R382-V384 PolarHBondContact O-N 2.74Å; R382-M386 WeakPolarHBondContact O-CA 3.39Å; R382-M386 PolarHBondContact O-N 3.5Å; R382-E387 VanDerWaalsContact CB-O 3.27Å; R382-E387 WeakPolarHBondContact CB-O 3.29Å; R382-E387 WeakPolarHBondContact CG-O 3.46Å; R382-E387 PolarHBondContact O-N 2.79Å; R382-H389 VanDerWaalsContact CD-O 3.29Å; R382-H389 WeakPolarHBondContact CD-O 3.42Å; R382-H389 WeakPolarHBondContact CG-O 3.45Å; R382-F391 HydrophobicContact CG-CD2 4.38Å; R382-F391 HydrophobicContact CG-CE2 4.32Å
383	L	94.8	Very high	93.2	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-36.9	179.9	179.8	61.9	0	0	0	112.7	S113 P163 G379 Y380 C381	S113-L383 VanDerWaalsContact OG-CD1 3.32Å; S113-L383 WeakPolarHBondContact OG-CD1 3.37Å; P163-L383 HydrophobicContact CB-CD2 4.41Å; G379-L383 VanDerWaalsContact O-CB 3.24Å; G379-L383 WeakPolarHBondContact O-CB 3.47Å; G379-L383 PolarHBondContact O-N 3.01Å; Y380-L383 PolarHBondContact O-N 2.66Å; C381-L383 VanDerWaalsContact C-N 3.32Å; C381-L383 PolarHBondContact O-N 2.95Å
384	V	93.4	Very high	91.9	Very high	77 Å²	77	44.9 Å²	44.9	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-88.2	-32.3	-176.6	176.3	0	0	0	0	112.6	F329 N330 Y380 C381 R382	F329-V384 HydrophobicContact CB-CG2 4.37Å; F329-V384 HydrophobicContact CD2-CG2 4.48Å; N330-V384 HydrophobicContact CB-CG1 3.94Å; Y380-V384 WeakPolarHBondContact O-CB 3.46Å; Y380-V384 VanDerWaalsContact O-CG2 3.28Å; Y380-V384 WeakPolarHBondContact O-CG2 3.46Å; Y380-V384 PolarHBondContact O-N 3.49Å; C381-V384 PolarHBondContact O-N 3.49Å; C381-V384 VanDerWaalsContact O-N 3.13Å; R382-V384 VanDerWaalsContact C-N 3.34Å; R382-V384 PolarHBondContact O-N 2.74Å
385	S	90.9	Very high	90	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-82.4	-13.8	173.1	69	0	0	0	0	113.8	C381 E387	C381-S385 PolarHBondContact O-N 3.23Å; C381-S385 PolarHBondContact O-OG 2.82Å; C381-S385 VanDerWaalsContact O-OG 3.11Å; S385-E387 VanDerWaalsContact C-N 3.25Å; S385-E387 WeakPolarHBondContact CB-OE2 3.44Å; S385-E387 WeakPolarHBondContact OG-CB 3.36Å; S385-E387 WeakPolarHBondContact OG-CG 3.31Å; S385-E387 PolarHBondContact OG-N 3.4Å; S385-E387 PolarHBondContact OG-OE2 3.35Å
386	M	88.1	Confident	87.3	Confident	172 Å²	172	58.3 Å²	58.3	85%	0.847	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	24.9	-171.8	-48.6	-171.8	73.5	0	0	113.7	R382	R382-M386 WeakPolarHBondContact O-CA 3.39Å; R382-M386 PolarHBondContact O-N 3.5Å
387	E	86.4	Confident	84.5	Confident	81 Å²	81	64.2 Å²	64.2	38%	0.379	33%	0.326	S	S	.	.			trans	-98.3	149	-178.6	-65.3	169	130.1	0	0	112.4	R382 S385 H389 F391	R382-E387 VanDerWaalsContact CB-O 3.27Å; R382-E387 WeakPolarHBondContact CB-O 3.29Å; R382-E387 WeakPolarHBondContact CG-O 3.46Å; R382-E387 PolarHBondContact O-N 2.79Å; S385-E387 VanDerWaalsContact C-N 3.25Å; S385-E387 WeakPolarHBondContact CB-OE2 3.44Å; S385-E387 WeakPolarHBondContact OG-CB 3.36Å; S385-E387 WeakPolarHBondContact OG-CG 3.31Å; S385-E387 PolarHBondContact OG-N 3.4Å; S385-E387 PolarHBondContact OG-OE2 3.35Å; E387-H389 IonicContact OE1-CE1 3.69Å; E387-H389 PolarHBondContact OE1-CE1 2.93Å; E387-H389 IonicContact OE2-CE1 2.76Å; E387-F391 VanDerWaalsContact OE2-CZ 3.28Å; E387-F391 WeakPolarHBondContact OE2-CZ 3.48Å
388	T	81.9	Confident	81.2	Confident	107 Å²	107	73.9 Å²	73.9	66%	0.656	37%	0.371	S	S	*	.			trans	-91.1	-24.9	-179.7	51.6	0	0	0	0	113.6	R97	R97-T388 PolarHBondContact NH1-O 2.04Å; R97-T388 VanDerWaalsContact NH1-O 3.14Å; R97-T388 PolarHBondContact NH2-O 2.98Å
389	H	87.8	Confident	78.3	Confident	104 Å²	104	77.9 Å²	77.9	48%	0.481	41%	0.413	S	S	.	.	S	Bend	trans	-79	157.1	-176.1	71.8	-91.9	0	0	0	112.2	R382 E387	R382-H389 VanDerWaalsContact CD-O 3.29Å; R382-H389 WeakPolarHBondContact CD-O 3.42Å; R382-H389 WeakPolarHBondContact CG-O 3.45Å; E387-H389 IonicContact OE1-CE1 3.69Å; E387-H389 PolarHBondContact OE1-CE1 2.93Å; E387-H389 IonicContact OE2-CE1 2.76Å
390	S	92.6	Very high	75.1	Confident	25 Å²	25	85.2 Å²	85.2	18%	0.175	45%	0.447	C	S	.	.			trans	-86.6	141.6	179.6	-176.6	0	0	0	0	112.3	H132 D378 I392	H132-S390 WeakPolarHBondContact CE1-CB 3.48Å; H132-S390 PolarHBondContact CE1-OG 2.86Å; H132-S390 WeakPolarHBondContact NE2-CB 3.42Å; H132-S390 PolarHBondContact NE2-OG 2.83Å; D378-S390 WeakPolarHBondContact OD1-CA 3.49Å; D378-S390 PolarHBondContact OD1-OG 3.19Å; D378-S390 WeakPolarHBondContact OD2-CB 3.45Å; D378-S390 PolarHBondContact OD2-OG 3.38Å; S390-I392 WeakPolarHBondContact OG-CB 3.4Å; S390-I392 WeakPolarHBondContact OG-CG1 3.32Å; S390-I392 PolarHBondContact OG-N 3.06Å; S390-I392 VanDerWaalsContact OG-N 3.09Å
391	F	93.6	Very high	71.9	Confident	29 Å²	29	96.4 Å²	96.4	13%	0.127	49%	0.489	C	S	.	.			trans	-80.3	-4	170	-68.7	-105	0	0	0	112.4	I335 D378 C381 R382 E387 V393	I335-F391 HydrophobicContact CD1-CB 3.98Å; I335-F391 HydrophobicContact CG1-CB 4.15Å; I335-F391 PolarHBondContact N-O 3.36Å; D378-F391 PolarHBondContact OD1-N 2.78Å; C381-F391 HydrophobicContact CB-CD1 4.37Å; C381-F391 HydrophobicContact CB-CD2 3.55Å; C381-F391 HydrophobicContact CB-CE1 4.37Å; C381-F391 HydrophobicContact CB-CE2 3.57Å; C381-F391 HydrophobicContact CB-CG 3.98Å; C381-F391 HydrophobicContact CB-CZ 4Å; R382-F391 HydrophobicContact CG-CD2 4.38Å; R382-F391 HydrophobicContact CG-CE2 4.32Å; E387-F391 VanDerWaalsContact OE2-CZ 3.28Å; E387-F391 WeakPolarHBondContact OE2-CZ 3.48Å; F391-V393 PolarHBondContact O-N 2.69Å
392	I	93.4	Very high	68.6	Low	29 Å²	29	100.3 Å²	100.3	15%	0.149	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-78.2	107.6	-179.4	-58	175.3	0	0	0	110.3	I335 Y337 A374 D378 S390	I335-I392 HydrophobicContact CB-CG1 4.06Å; I335-I392 HydrophobicContact CD1-CG1 4.4Å; I335-I392 HydrophobicContact CG2-CG1 4.1Å; I335-I392 CarbonylContact O-C 3.57Å; I335-I392 WeakPolarHBondContact O-CA 3.32Å; Y337-I392 HydrophobicContact CD1-CG2 4.2Å; Y337-I392 HydrophobicContact CE1-CG2 3.95Å; A374-I392 HydrophobicContact CB-CD1 4.13Å; D378-I392 HydrophobicContact CB-CD1 3.99Å; D378-I392 HydrophobicContact CB-CG1 4.02Å; S390-I392 WeakPolarHBondContact OG-CB 3.4Å; S390-I392 WeakPolarHBondContact OG-CG1 3.32Å; S390-I392 PolarHBondContact OG-N 3.06Å; S390-I392 VanDerWaalsContact OG-N 3.09Å
393	V	87.9	Confident	65.7	Low	71 Å²	71	106.7 Å²	106.7	43%	0.43	56%	0.556	S	S	.	*			trans	-81.5	120.4	-179.9	174.8	0	0	0	0	110.2	I335 Q336 F391 V395	I335-V393 PolarHBondContact O-N 3.21Å; Q336-V393 HydrophobicContact CG-CB 4.01Å; F391-V393 PolarHBondContact O-N 2.69Å; V393-V395 PolarHBondContact O-N 2.66Å
394	R	69.3	Low	62.9	Low	148 Å²	148	111.1 Å²	111.1	56%	0.558	59%	0.586	S	S	*	*			trans	-86.2	106.5	-179	-56.8	-179.8	-164.3	164.7	5.9	110.5	Q396 I406	R394-Q396 PolarHBondContact O-N 3.05Å; R394-I406 VanDerWaalsContact CZ-CD1 3.44Å; R394-I406 VanDerWaalsContact NH2-CD1 3.34Å
395	V	55	Low	60.3	Low	105 Å²	105	108.8 Å²	108.8	64%	0.636	57%	0.573	S	S	*	*			trans	-70.9	115.6	176	-178.7	0	0	0	0	110	V393 K397	V393-V395 PolarHBondContact O-N 2.66Å; V395-K397 PolarHBondContact O-N 2.96Å
396	Q	40.1	Very low	58	Low	182 Å²	182	109.2 Å²	109.2	85%	0.85	57%	0.571	S	S	*	*			trans	-83	102.4	166.1	-64.4	-177	11.4	0	0	108.7	R394 E398	R394-Q396 PolarHBondContact O-N 3.05Å; Q396-E398 PolarHBondContact O-N 3.35Å
397	K	38	Very low	55.3	Low	124 Å²	124	104.9 Å²	104.9	54%	0.539	56%	0.556	S	S	.	*			trans	-70	119.8	163.7	-101.2	-176.3	175.2	178.4	0	107.6	E341 V395 G399 E400	E341-K397 IonicContact OE1-NZ 2.84Å; E341-K397 PolarHBondContact OE1-NZ 3.26Å; V395-K397 PolarHBondContact O-N 2.96Å; K397-G399 PolarHBondContact O-N 3.05Å; K397-E400 PolarHBondContact O-N 2.94Å
398	E	28.8	Very low	52.7	Low	204 Å²	204	110.8 Å²	110.8	95%	0.953	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	126.4	175.8	-72.4	-170.4	116.1	0	0	110.6	Q396	Q396-E398 PolarHBondContact O-N 3.35Å
399	G	35.4	Very low	50.1	Low	85 Å²	85	112.5 Å²	112.5	88%	0.876	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.5	-24.6	178.1	0	0	0	0	0	115	K397	K397-G399 PolarHBondContact O-N 3.05Å
400	E	29.6	Very low	47.2	Very low	155 Å²	155	112 Å²	112	72%	0.724	60%	0.599	S	S	*	*	S	Bend	trans	-85.1	135.4	172.6	-67.7	-170.8	147.8	0	0	110.9	K397 A402	K397-E400 PolarHBondContact O-N 2.94Å; E400-A402 PolarHBondContact O-N 2.81Å
401	R	31.4	Very low	44	Very low	241 Å²	241	118.3 Å²	118.3	91%	0.909	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.9	167.7	-67.9	-179.8	-177.6	169.1	1.4	107.3	L403	R401-L403 PolarHBondContact O-N 2.95Å
402	A	27.5	Very low	41	Very low	84 Å²	84	124 Å²	124	69%	0.694	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-46.2	135.7	-179.2	0	0	0	0	0	111.9	E400	E400-A402 PolarHBondContact O-N 2.81Å
403	L	33.9	Very low	37.9	Very low	152 Å²	152	131 Å²	131	80%	0.796	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-49.9	131	178.9	-73.8	167.1	0	0	0	109.8	R401 S405	R401-L403 PolarHBondContact O-N 2.95Å; L403-S405 PolarHBondContact O-N 3.27Å
404	P	36.5	Very low	35.2	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.8	-166.5	-21.3	34	0	0	0	115.6	I406	P404-I406 VanDerWaalsContact C-N 3.34Å; P404-I406 PolarHBondContact O-N 3.44Å
405	S	39.1	Very low	33.2	Very low	28 Å²	28	139.7 Å²	139.7	20%	0.196	73%	0.73	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.2	-11.7	-152.8	-46.8	0	0	0	0	116.8	G136 H139 L403	G136-S405 PolarHBondContact N-O 3.31Å; H139-S405 WeakPolarHBondContact CD2-CB 3.49Å; H139-S405 PolarHBondContact CD2-OG 2.89Å; H139-S405 PolarHBondContact NE2-OG 2.65Å; L403-S405 PolarHBondContact O-N 3.27Å
406	I	41.8	Very low	31.9	Very low	57 Å²	57	142.9 Å²	142.9	29%	0.292	74%	0.743	S	S	.	*	S	Bend	trans	-142	129.4	-168.6	-61.1	-177	0	0	0	109.7	D134 R394 P404	D134-I406 VanDerWaalsContact O-CD1 3.29Å; D134-I406 WeakPolarHBondContact O-CD1 3.49Å; D134-I406 WeakPolarHBondContact O-CG1 3.42Å; R394-I406 VanDerWaalsContact CZ-CD1 3.44Å; R394-I406 VanDerWaalsContact NH2-CD1 3.34Å; P404-I406 VanDerWaalsContact C-N 3.34Å; P404-I406 PolarHBondContact O-N 3.44Å
407	P	31.3	Very low	31.4	Very low	81 Å²	81	143 Å²	143	53%	0.526	74%	0.743	S	S	.	*			trans	-55.4	147.3	179	-28	36	0	0	0	114.1	V409	P407-V409 PolarHBondContact O-N 3.27Å
408	K	31.1	Very low	30.9	Very low	204 Å²	204	141.6 Å²	141.6	89%	0.887	76%	0.755	S	S	*	*			trans	-77.8	102.6	175.9	-70.3	-177.8	-179.5	177.5	0	110.4	S410	K408-S410 PolarHBondContact O-N 3.23Å
409	V	28.2	Very low	30.9	Very low	143 Å²	143	137.8 Å²	137.8	87%	0.867	75%	0.745	S	S	*	*			trans	-53.3	125.8	166.2	-177.1	0	0	0	0	109.1	P407	P407-V409 PolarHBondContact O-N 3.27Å
410	S	26.3	Very low	30.5	Very low	95 Å²	95	146.2 Å²	146.2	66%	0.664	75%	0.75	S	S	*	*			trans	-80.1	129.2	-179.2	53.4	0	0	0	0	110.7	K408 N412	K408-S410 PolarHBondContact O-N 3.23Å; S410-N412 PolarHBondContact O-N 3.1Å; S410-N412 VanDerWaalsContact O-N 3.1Å
411	N	27	Very low	30.4	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	75%	0.75	S	S	*	*			trans	-76.7	102.2	-168.8	-135.6	10.7	0	0	0	110.9
412	N	28.9	Very low	30.3	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	74%	0.742	S	S	*	*			trans	-113.9	15.5	-178.2	-108.1	-26.6	0	0	0	114.5	S410 K414	S410-N412 PolarHBondContact O-N 3.1Å; S410-N412 VanDerWaalsContact O-N 3.1Å; N412-K414 PolarHBondContact O-N 3.42Å
413	E	28.6	Very low	30.1	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	75%	0.75	S	S	*	*			trans	-71.8	68.9	167.8	-68.5	-161	136.1	0	0	112.3
414	K	30.6	Very low	30	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	76%	0.755	S	S	*	*	S	Bend	trans	-160.8	34.8	165.9	-118.1	154.3	-165.1	170.1	0	117.2	N412	N412-K414 PolarHBondContact O-N 3.42Å
415	K	28.8	Very low	29.4	Very low	198 Å²	198	144 Å²	144	86%	0.861	76%	0.762	S	S	*	*			trans	-151.2	62.9	169.7	-147.2	175	-173.1	-178.7	0	115.5
416	L	28.1	Very low	28.7	Very low	172 Å²	172	149.9 Å²	149.9	90%	0.901	79%	0.79	S	S	*	*			trans	-126.9	35	173.3	-152.7	75.6	0	0	0	114.2
417	E	29.1	Very low	27.8	Very low	184 Å²	184	152.3 Å²	152.3	86%	0.86	81%	0.812	S	S	*	*	S	Bend	trans	-132.4	147.8	157.2	-73.3	-155.1	135	0	0	110.2
418	A	27.1	Very low	27.4	Very low	95 Å²	95	154.6 Å²	154.6	79%	0.785	82%	0.824	S	S	*	*			trans	60.7	132.5	-156.7	0	0	0	0	0	113.5
419	V	28.5	Very low	27.2	Very low	124 Å²	124	150 Å²	150	75%	0.752	82%	0.818	S	S	*	*			cis	-127.3	120.3	22.4	173.5	0	0	0	0	112.3
420	R	28.1	Very low	27	Very low	261 Å²	261	151.7 Å²	151.7	99%	0.985	82%	0.816	S	S	*	*			trans	-93.2	88.2	155.1	-97.3	-174.8	171.5	173.4	-1.4	109
421	S	27.7	Very low	26.9	Very low	101 Å²	101	153.8 Å²	153.8	71%	0.706	82%	0.82	S	S	*	*			trans	-165.6	135.9	162.1	-166.6	0	0	0	0	108.9
422	G	27.3	Very low	27.2	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	82%	0.822	S	S	*	*			trans	-112.1	133.4	-174.8	0	0	0	0	0	112.8
423	V	25.1	Very low	27	Very low	141 Å²	141	152.8 Å²	152.8	86%	0.855	82%	0.822	S	S	*	*			trans	-137.2	145.5	165.5	-179.1	0	0	0	0	108.2
424	R	30.7	Very low	26.9	Very low	239 Å²	239	148 Å²	148	90%	0.902	82%	0.821	S	S	*	*			trans	-95.5	137.9	175.3	-66.8	173.1	172.1	166.7	-5	110.9
425	T	23.9	Very low	26.7	Very low	142 Å²	142	145.5 Å²	145.5	87%	0.871	82%	0.817	S	S	*	*			trans	-149.7	168.3	157.2	19	0	0	0	0	110.3
426	I	24.6	Very low	26.8	Very low	152 Å²	152	145.3 Å²	145.3	78%	0.779	82%	0.819	S	S	*	*			trans	-131.6	145.8	-159	-64	163.3	0	0	0	111.1
427	S	22.8	Very low	27	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	80%	0.802	S	S	*	*			trans	63.6	157.5	170.1	62	0	0	0	0	115.4
428	V	23.3	Very low	27.6	Very low	129 Å²	129	137.4 Å²	137.4	78%	0.782	79%	0.787	S	S	*	*			cis	-140	170.9	36.3	171	0	0	0	0	111.7
429	S	26.1	Very low	27.9	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	78%	0.778	S	S	*	*			trans	-78.7	-165.8	176.3	-47.6	0	0	0	0	113.5
430	E	25.1	Very low	28.1	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	77%	0.765	S	S	*	*			trans	83.9	140.3	-179.4	-62.4	175.9	-172.5	0	0	115.1
431	D	23.6	Very low	28.3	Very low	139 Å²	139	126.3 Å²	126.3	74%	0.743	72%	0.723	S	S	*	*			cis	-157.2	-174	-27.8	-139.5	-18.4	0	0	0	111.9	S433	D431-S433 PolarHBondContact O-N 3.37Å
432	L	32.4	Very low	29.4	Very low	169 Å²	169	124.5 Å²	124.5	89%	0.885	70%	0.703	S	S	*	*			trans	-48.5	105.6	-179	-67.6	161.2	0	0	0	117
433	S	25.7	Very low	30.2	Very low	113 Å²	113	122.7 Å²	122.7	79%	0.79	68%	0.676	S	S	*	*			trans	-153	124.9	146	62.2	0	0	0	0	110.9	D431	D431-S433 PolarHBondContact O-N 3.37Å
434	G	26.6	Very low	31.3	Very low	76 Å²	76	118.4 Å²	118.4	78%	0.784	65%	0.65	S	S	*	*			trans	-77.6	131	172.4	0	0	0	0	0	110.8
435	D	25.7	Very low	31.8	Very low	153 Å²	153	111.3 Å²	111.3	82%	0.818	63%	0.63	S	S	*	*			trans	-80.7	117.3	178.5	-161.2	16.2	0	0	0	109.6	T437	D435-T437 PolarHBondContact O-N 2.93Å
436	E	30.5	Very low	32.6	Very low	193 Å²	193	108.1 Å²	108.1	90%	0.902	61%	0.605	S	S	*	*			trans	-78.9	82.7	-176.4	-71.8	-167.8	138.3	0	0	111.4
437	T	33.1	Very low	33.4	Very low	89 Å²	89	106.3 Å²	106.3	55%	0.546	59%	0.593	S	S	.	*			trans	-73.6	124	172.6	57	0	0	0	0	111.8	D435 D439 Y440	D435-T437 PolarHBondContact O-N 2.93Å; T437-D439 PolarHBondContact O-N 3.03Å; T437-Y440 PolarHBondContact O-N 3.31Å
438	D	41.7	Very low	34.2	Very low	101 Å²	101	104.8 Å²	104.8	54%	0.54	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-6.7	-171.3	-157.1	6	0	0	0	115.3	A93 Y440	A93-D438 HydrophobicContact CB-CB 4.34Å; D438-Y440 PolarHBondContact O-N 2.63Å
439	D	34	Very low	34.7	Very low	111 Å²	111	103.7 Å²	103.7	59%	0.594	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	4.3	179.4	-57.6	-40.9	0	0	0	113.6	A93 T94 T437 A441	A93-D439 VanDerWaalsContact CB-OD1 3.28Å; A93-D439 WeakPolarHBondContact CB-OD1 3.49Å; T94-D439 PolarHBondContact OG1-O 3.04Å; T437-D439 PolarHBondContact O-N 3.03Å; D439-A441 PolarHBondContact O-N 3.38Å
440	Y	33.1	Very low	34.9	Very low	126 Å²	126	108.6 Å²	108.6	49%	0.494	57%	0.574	S	S	.	*			trans	-61.8	127.5	-167.7	-174	-94.8	0	0	0	114.5	Y90 G91 T437 D438 E442	Y90-Y440 CarbonylContact C-O 3.59Å; G91-Y440 PolarHBondContact N-O 3.03Å; T437-Y440 PolarHBondContact O-N 3.31Å; D438-Y440 PolarHBondContact O-N 2.63Å; Y440-E442 HydrophobicContact CE1-CB 3.61Å; Y440-E442 HydrophobicContact CE1-CG 4.47Å
441	A	31.6	Very low	35.2	Very low	10 Å²	10	103.2 Å²	103.2	8%	0.083	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.4	142.3	170.5	0	0	0	0	0	112.2	I88 R89 T94 K102 D439	I88-A441 HydrophobicContact CG2-CB 4.29Å; R89-A441 CarbonylContact O-C 3.57Å; R89-A441 WeakPolarHBondContact O-CA 3.49Å; T94-A441 HydrophobicContact CG2-CB 4.2Å; K102-A441 WeakPolarHBondContact CD-O 3.49Å; K102-A441 WeakPolarHBondContact CE-O 3.47Å; K102-A441 PolarHBondContact NZ-O 3.32Å; D439-A441 PolarHBondContact O-N 3.38Å
442	E	51	Low	35.6	Very low	64 Å²	64	101.4 Å²	101.4	30%	0.299	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.8	-172	178.9	-176.7	-154.2	0	0	110.3	I88 R89 Y440	I88-E442 CarbonylContact C-O 3.53Å; I88-E442 WeakPolarHBondContact CA-O 3.29Å; R89-E442 HydrophobicContact CB-CB 4.34Å; R89-E442 IonicContact CZ-OE2 2.89Å; R89-E442 PolarHBondContact N-O 3.21Å; R89-E442 IonicContact NE-OE2 3.18Å; R89-E442 IonicContact NH1-OE2 3.94Å; R89-E442 PolarHBondContact NH1-OE2 2.93Å; R89-E442 PolarHBondContact O-N 3.41Å; Y440-E442 HydrophobicContact CE1-CB 3.61Å; Y440-E442 HydrophobicContact CE1-CG 4.47Å
443	I	43.1	Very low	35.5	Very low	34 Å²	34	98.6 Å²	98.6	17%	0.174	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.3	178	-52.3	-154.2	0	0	0	109.4	N87 I88 K102 I103 I106	N87-I443 CarbonylContact O-C 3.55Å; N87-I443 WeakPolarHBondContact O-CA 3.36Å; N87-I443 WeakPolarHBondContact O-CG2 3.47Å; I88-I443 HydrophobicContact CD1-CD1 4.2Å; I88-I443 HydrophobicContact CG1-CD1 4.1Å; I88-I443 HydrophobicContact CG1-CG1 4.09Å; K102-I443 HydrophobicContact CG-CD1 4.14Å; K102-I443 HydrophobicContact CG-CG1 3.84Å; I103-I443 HydrophobicContact CG1-CD1 4.17Å; I106-I443 HydrophobicContact CD1-CB 4.28Å; I106-I443 HydrophobicContact CD1-CD1 3.57Å; I106-I443 HydrophobicContact CD1-CG1 3.81Å
444	V	48	Very low	35.7	Very low	52 Å²	52	96.8 Å²	96.8	32%	0.315	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.4	171.7	-173.7	0	0	0	0	108.1	N87 E446	N87-V444 HydrophobicContact CB-CB 4.24Å; N87-V444 PolarHBondContact O-N 2.68Å; V444-E446 PolarHBondContact O-N 2.87Å
445	D	41.4	Very low	36.4	Very low	90 Å²	90	96.7 Å²	96.7	48%	0.481	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-65	122.5	175.6	-80.2	-26	0	0	0	109.9	E447 S513	D445-E447 VanDerWaalsContact C-N 3.26Å; D445-E447 PolarHBondContact O-N 3.35Å; D445-S513 PolarHBondContact OD2-OG 2.72Å
446	E	41.4	Very low	36.8	Very low	75 Å²	75	94.3 Å²	94.3	35%	0.35	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-83.5	19.7	179.9	-64.5	-161.9	95.5	0	0	114.3	K70 S85 N87 V444 D448	K70-E446 IonicContact NZ-OE1 3.09Å; K70-E446 PolarHBondContact NZ-OE1 2.94Å; K70-E446 IonicContact NZ-OE2 2.75Å; K70-E446 PolarHBondContact NZ-OE2 3.45Å; S85-E446 PolarHBondContact OG-OE2 2.94Å; N87-E446 HydrophobicContact CB-CG 4.17Å; N87-E446 VanDerWaalsContact CG-CD 3.44Å; N87-E446 VanDerWaalsContact ND2-CG 3.32Å; N87-E446 WeakPolarHBondContact ND2-CG 3.3Å; N87-E446 PolarHBondContact ND2-OE1 3.12Å; N87-E446 PolarHBondContact OD1-OE1 3.17Å; V444-E446 PolarHBondContact O-N 2.87Å; E446-D448 VanDerWaalsContact C-N 3.25Å; E446-D448 PolarHBondContact O-N 2.91Å
447	E	41.7	Very low	37.3	Very low	113 Å²	113	91 Å²	91	53%	0.528	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-79.1	-1.8	-176.7	-100.9	-174.5	165.3	0	0	114.4	D445 T449 K517	D445-E447 VanDerWaalsContact C-N 3.26Å; D445-E447 PolarHBondContact O-N 3.35Å; E447-T449 VanDerWaalsContact C-N 3.33Å; E447-T449 PolarHBondContact O-N 3.16Å; E447-K517 WeakPolarHBondContact OE2-CE 3.28Å; E447-K517 IonicContact OE2-NZ 2.64Å; E447-K517 PolarHBondContact OE2-NZ 2.96Å
448	D	39.5	Very low	37.7	Very low	78 Å²	78	88.2 Å²	88.2	42%	0.417	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-87.3	5.7	-171.4	-51.9	-10.2	0	0	0	113.9	E446 M455	E446-D448 VanDerWaalsContact C-N 3.25Å; E446-D448 PolarHBondContact O-N 2.91Å; D448-M455 WeakPolarHBondContact O-CE 3.39Å
449	T	33.4	Very low	37.8	Very low	105 Å²	105	89.7 Å²	89.7	64%	0.644	48%	0.478	S	S	*	.			trans	-127.2	132.4	-174.3	-41.3	0	0	0	0	111.9	E447	E447-T449 VanDerWaalsContact C-N 3.33Å; E447-T449 PolarHBondContact O-N 3.16Å
450	Y	30.2	Very low	38.1	Very low	210 Å²	210	88 Å²	88	82%	0.824	47%	0.471	S	S	*	.	S	Bend	trans	70.6	116.2	-170.9	-78.6	-103	0	0	0	115.6
451	T	31.2	Very low	38.7	Very low	66 Å²	66	87.2 Å²	87.2	41%	0.405	47%	0.472	S	S	.	.	S	Bend	cis	-150.6	112.6	-5.7	-36.4	0	0	0	0	112.9	E622	T451-E622 VanDerWaalsContact CB-OE2 3.29Å; T451-E622 WeakPolarHBondContact CB-OE2 3.33Å; T451-E622 WeakPolarHBondContact CG2-OE1 3.43Å; T451-E622 PolarHBondContact OG1-OE2 2.8Å
452	M	32	Very low	39.5	Very low	102 Å²	102	87.3 Å²	87.3	50%	0.502	47%	0.473	S	S	.	.	S	Bend	trans	-145.5	164.2	144.4	-82.7	-61.2	-78	0	0	105.9	S454	M452-S454 PolarHBondContact O-N 3.49Å; M452-S454 VanDerWaalsContact O-N 3.08Å
453	P	30	Very low	39.5	Very low	109 Å²	109	93.6 Å²	93.6	71%	0.708	49%	0.494	S	S	*	.	S	Bend	trans	-59.5	114.3	-174.8	-25.8	35.9	0	0	0	113.7
454	S	30.5	Very low	40.2	Very low	75 Å²	75	98.1 Å²	98.1	52%	0.524	52%	0.519	S	S	.	.			trans	40	84.3	166.7	53.7	0	0	0	0	116.8	M452 S456 Y457	M452-S454 PolarHBondContact O-N 3.49Å; M452-S454 VanDerWaalsContact O-N 3.08Å; S454-S456 PolarHBondContact O-N 3.5Å; S454-Y457 PolarHBondContact O-N 3.07Å
455	M	41.4	Very low	41.5	Very low	75 Å²	75	99.8 Å²	99.8	37%	0.369	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-66	-3.5	-175.6	-111.5	-170.3	-48.5	0	0	116.8	D448 Y457 G458	D448-M455 WeakPolarHBondContact O-CE 3.39Å; M455-Y457 PolarHBondContact O-N 3.4Å; M455-G458 PolarHBondContact O-N 2.98Å
456	S	34.2	Very low	43.3	Very low	103 Å²	103	98.6 Å²	98.6	72%	0.72	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-59.2	-14.9	167.4	56.6	0	0	0	0	113.5	S454	S454-S456 PolarHBondContact O-N 3.5Å
457	Y	40.4	Very low	45.2	Very low	122 Å²	122	95.4 Å²	95.4	48%	0.478	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-84.8	-9.5	172.6	-82.4	-92.4	0	0	0	115	S454 M455 V459 V460 E461	S454-Y457 PolarHBondContact O-N 3.07Å; M455-Y457 PolarHBondContact O-N 3.4Å; Y457-V459 VanDerWaalsContact C-N 3.33Å; Y457-V459 PolarHBondContact O-N 3.49Å; Y457-V460 HydrophobicContact CD1-CB 4.4Å; Y457-V460 CarbonylContact O-C 3.41Å; Y457-V460 WeakPolarHBondContact O-CA 3.24Å; Y457-V460 WeakPolarHBondContact O-CB 3.23Å; Y457-V460 PolarHBondContact O-N 2.87Å; Y457-E461 HydrophobicContact CD1-CG 4.25Å; Y457-E461 PolarHBondContact O-N 3.28Å
458	G	42.3	Very low	46.7	Very low	32 Å²	32	95.1 Å²	95.1	33%	0.33	50%	0.495	S	S	.	.	H	α-helix	trans	-57.1	-38.7	-170.4	0	0	0	0	0	115.2	M455	M455-G458 PolarHBondContact O-N 2.98Å
459	V	43.1	Very low	48.7	Very low	131 Å²	131	94.2 Å²	94.2	79%	0.794	49%	0.486	S	S	*	.	H	α-helix	trans	-81.1	-17.4	176.2	-175.4	0	0	0	0	112.3	Y457	Y457-V459 VanDerWaalsContact C-N 3.33Å; Y457-V459 PolarHBondContact O-N 3.49Å
460	V	40.3	Very low	50.8	Low	75 Å²	75	95.6 Å²	95.6	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-88.7	-38.6	-179.5	-171.1	0	0	0	0	111.2	Y457 R463	Y457-V460 HydrophobicContact CD1-CB 4.4Å; Y457-V460 CarbonylContact O-C 3.41Å; Y457-V460 WeakPolarHBondContact O-CA 3.24Å; Y457-V460 WeakPolarHBondContact O-CB 3.23Å; Y457-V460 PolarHBondContact O-N 2.87Å; V460-R463 WeakPolarHBondContact O-CD 3.31Å; V460-R463 VanDerWaalsContact O-CG 3.32Å; V460-R463 WeakPolarHBondContact O-CG 3.31Å
461	E	46	Very low	53.2	Low	110 Å²	110	89 Å²	89	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-87.3	-7.6	-176.4	-70.8	-175.6	174.9	0	0	114.7	Y457 R463 R526	Y457-E461 HydrophobicContact CD1-CG 4.25Å; Y457-E461 PolarHBondContact O-N 3.28Å; E461-R463 PolarHBondContact O-N 3.24Å; E461-R526 PolarHBondContact O-NH1 3.26Å
462	A	47.5	Very low	55.9	Low	13 Å²	13	86.6 Å²	86.6	11%	0.107	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-63.7	-23.9	171.4	0	0	0	0	0	112.7	D464 Y465 E466 T541	A462-D464 VanDerWaalsContact C-N 3.25Å; A462-D464 PolarHBondContact O-N 3.38Å; A462-Y465 CarbonylContact O-C 3.53Å; A462-Y465 PolarHBondContact O-N 3.41Å; A462-E466 PolarHBondContact O-N 3.03Å; A462-T541 HydrophobicContact CB-CG2 4.38Å
463	R	51.3	Low	58.7	Low	196 Å²	196	88.1 Å²	88.1	74%	0.74	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30.2	-170.9	-70.5	178.1	176	-164.3	-2.2	116	V460 E461 Y465	V460-R463 WeakPolarHBondContact O-CD 3.31Å; V460-R463 VanDerWaalsContact O-CG 3.32Å; V460-R463 WeakPolarHBondContact O-CG 3.31Å; E461-R463 PolarHBondContact O-N 3.24Å; R463-Y465 VanDerWaalsContact C-N 3.28Å; R463-Y465 PolarHBondContact O-N 2.78Å
464	D	59.1	Low	61.5	Low	129 Å²	129	86.5 Å²	86.5	69%	0.69	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-74.9	-18	178.3	-55.7	-34.5	0	0	0	113.4	A462 R526	A462-D464 VanDerWaalsContact C-N 3.25Å; A462-D464 PolarHBondContact O-N 3.38Å; D464-R526 IonicContact OD2-NH2 2.69Å; D464-R526 PolarHBondContact OD2-NH2 3.18Å; D464-R526 VanDerWaalsContact OD2-NH2 3.14Å
465	Y	73.9	Confident	64.4	Low	86 Å²	86	84.3 Å²	84.3	34%	0.337	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	1.7	-176.3	-75.3	-94.7	0	0	0	112.7	A462 R463 I467 R526 L536 G538 V539	A462-Y465 CarbonylContact O-C 3.53Å; A462-Y465 PolarHBondContact O-N 3.41Å; R463-Y465 VanDerWaalsContact C-N 3.28Å; R463-Y465 PolarHBondContact O-N 2.78Å; Y465-I467 PolarHBondContact O-N 3.47Å; Y465-R526 HydrophobicContact CD2-CG 4.46Å; Y465-R526 HydrophobicContact CE2-CG 4.04Å; Y465-L536 HydrophobicContact CD1-CD2 4.25Å; Y465-G538 CarbonylContact O-C 3.54Å; Y465-G538 WeakPolarHBondContact O-CA 3.4Å; Y465-V539 PolarHBondContact O-N 3.23Å
466	E	79.8	Confident	66.8	Low	65 Å²	65	89.1 Å²	89.1	30%	0.304	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-71.2	122.9	178.1	-164.2	68.5	-162.1	0	0	110.2	A462 T541	A462-E466 PolarHBondContact O-N 3.03Å; E466-T541 VanDerWaalsContact CD-OG1 3.27Å; E466-T541 WeakPolarHBondContact OE1-CB 3.26Å; E466-T541 PolarHBondContact OE1-N 2.95Å; E466-T541 PolarHBondContact OE1-OG1 3.28Å; E466-T541 WeakPolarHBondContact OE2-CG2 3.29Å; E466-T541 PolarHBondContact OE2-OG1 2.8Å
467	I	80.5	Confident	69.5	Low	9 Å²	9	86.9 Å²	86.9	5%	0.046	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-102.3	136.1	177.2	-70.5	172.9	0	0	0	108.2	Y465 R471 I472 Y491 I537 V539 I540 I548	Y465-I467 PolarHBondContact O-N 3.47Å; I467-R471 HydrophobicContact CG2-CB 4.48Å; I467-I472 HydrophobicContact CG2-CD1 4.11Å; I467-I472 HydrophobicContact CG2-CG1 3.82Å; I467-Y491 HydrophobicContact CD1-CE1 4.29Å; I467-Y491 HydrophobicContact CD1-CE2 4.3Å; I467-Y491 HydrophobicContact CG1-CE2 4.32Å; I467-Y491 HydrophobicContact CG2-CD2 4.17Å; I467-Y491 HydrophobicContact CG2-CE2 3.75Å; I467-I537 HydrophobicContact CD1-CG2 4.25Å; I467-V539 PolarHBondContact N-O 3.02Å; I467-I540 HydrophobicContact CB-CG1 4.21Å; I467-I540 HydrophobicContact CG2-CG1 4.4Å; I467-I540 WeakPolarHBondContact O-CG1 3.35Å; I467-I548 HydrophobicContact CD1-CB 4.08Å; I467-I548 HydrophobicContact CD1-CG1 3.92Å; I467-I548 HydrophobicContact CD1-CG2 4.31Å
468	Q	73.3	Confident	71.8	Confident	106 Å²	106	84.8 Å²	84.8	50%	0.495	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-74.2	131.2	170.6	-55.4	-178.1	-84.7	0	0	109.2	D470 R471	Q468-D470 VanDerWaalsContact C-N 3.25Å; Q468-D470 WeakPolarHBondContact CB-OD1 3.36Å; Q468-D470 PolarHBondContact O-N 3.08Å; Q468-R471 HydrophobicContact CB-CG 4.24Å; Q468-R471 VanDerWaalsContact O-CB 3.32Å; Q468-R471 WeakPolarHBondContact O-CB 3.43Å; Q468-R471 PolarHBondContact O-N 3.19Å; Q468-R471 VanDerWaalsContact OE1-CZ 3.26Å
469	R	81.4	Confident	73.5	Confident	60 Å²	60	84.8 Å²	84.8	23%	0.226	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-61.5	-30.1	-172	178.2	174.5	-80	132.2	-9.4	113.8	R471 I472 I540 E542 N543 P544 W546	R469-R471 PolarHBondContact O-N 3.21Å; R469-I472 PolarHBondContact O-N 3.43Å; R469-I472 VanDerWaalsContact O-N 3.15Å; R469-I540 HydrophobicContact CB-CD1 4.18Å; R469-I540 HydrophobicContact CB-CG2 4.34Å; R469-I540 HydrophobicContact CG-CD1 4.45Å; R469-E542 IonicContact CZ-OE2 2.38Å; R469-E542 IonicContact NH1-OE2 2.69Å; R469-E542 PolarHBondContact NH1-OE2 3.08Å; R469-E542 PolarHBondContact NH2-O 3.01Å; R469-N543 PolarHBondContact NH1-O 3.5Å; R469-P544 PolarHBondContact NH2-O 2.72Å; R469-W546 HydrophobicContact CG-CH2 4.17Å; R469-W546 HydrophobicContact CG-CZ3 4.18Å
470	D	77.7	Confident	75.1	Confident	133 Å²	133	86.5 Å²	86.5	71%	0.711	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20.6	174.6	64.7	-29	0	0	0	113.8	Q468 I472	Q468-D470 VanDerWaalsContact C-N 3.25Å; Q468-D470 WeakPolarHBondContact CB-OD1 3.36Å; Q468-D470 PolarHBondContact O-N 3.08Å; D470-I472 VanDerWaalsContact C-N 3.31Å
471	R	82.1	Confident	76.2	Confident	73 Å²	73	84.5 Å²	84.5	28%	0.275	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-81.7	-4.9	175.7	-58.9	-177.5	-172.8	-149	0.6	114.1	I467 Q468 R469 Y491 S492	I467-R471 HydrophobicContact CG2-CB 4.48Å; Q468-R471 HydrophobicContact CB-CG 4.24Å; Q468-R471 VanDerWaalsContact O-CB 3.32Å; Q468-R471 WeakPolarHBondContact O-CB 3.43Å; Q468-R471 PolarHBondContact O-N 3.19Å; Q468-R471 VanDerWaalsContact OE1-CZ 3.26Å; R469-R471 PolarHBondContact O-N 3.21Å; R471-Y491 HydrophobicContact CB-CD2 3.98Å; R471-Y491 HydrophobicContact CB-CE2 3.74Å; R471-S492 WeakPolarHBondContact CB-O 3.47Å; R471-S492 PolarHBondContact O-N 3.14Å
472	I	88.2	Confident	76.8	Confident	14 Å²	14	87.4 Å²	87.4	7%	0.072	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.4	-176.6	-62.5	-69.1	0	0	0	110.7	I467 R469 D470 L474 V490 Y491 V501 I503 I540 W546 I548	I467-I472 HydrophobicContact CG2-CD1 4.11Å; I467-I472 HydrophobicContact CG2-CG1 3.82Å; R469-I472 PolarHBondContact O-N 3.43Å; R469-I472 VanDerWaalsContact O-N 3.15Å; D470-I472 VanDerWaalsContact C-N 3.31Å; I472-L474 PolarHBondContact O-N 3.11Å; I472-V490 WeakPolarHBondContact CA-O 3.35Å; I472-Y491 HydrophobicContact CD1-CD2 3.61Å; I472-Y491 HydrophobicContact CD1-CG 3.93Å; I472-Y491 HydrophobicContact CG1-CD2 4.45Å; I472-V501 HydrophobicContact CD1-CG2 4.47Å; I472-I503 HydrophobicContact CG2-CD1 3.43Å; I472-I503 VanDerWaalsContact CG2-CD1 3.43Å; I472-I503 HydrophobicContact CG2-CG1 4.33Å; I472-I540 HydrophobicContact CG1-CD1 4.1Å; I472-W546 HydrophobicContact CB-CZ3 4.13Å; I472-W546 HydrophobicContact CG2-CE3 4.08Å; I472-W546 HydrophobicContact CG2-CZ3 3.72Å; I472-I548 HydrophobicContact CD1-CD1 4.15Å; I472-I548 HydrophobicContact CD1-CG1 4.34Å; I472-I548 HydrophobicContact CD1-CG2 4.15Å; I472-I548 HydrophobicContact CG1-CD1 4.32Å
473	E	89.4	Confident	77.2	Confident	134 Å²	134	91.8 Å²	91.8	63%	0.626	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.3	164.9	-168.8	-175.3	158.8	0	0	109	G475 G489 V490	E473-G475 PolarHBondContact O-N 3.24Å; E473-G489 CarbonylContact O-C 3.57Å; E473-G489 WeakPolarHBondContact O-CA 3.42Å; E473-V490 HydrophobicContact CB-CB 4.22Å; E473-V490 PolarHBondContact N-O 3.04Å; E473-V490 PolarHBondContact O-N 3.46Å
474	L	89.1	Confident	78.1	Confident	75 Å²	75	82.5 Å²	82.5	39%	0.393	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.1	178.1	-174.5	69.5	0	0	0	110.3	I472 H487 I503 W546	I472-L474 PolarHBondContact O-N 3.11Å; L474-H487 HydrophobicContact CD1-CB 3.57Å; L474-H487 HydrophobicContact CG-CB 4.5Å; L474-I503 HydrophobicContact CD1-CB 4.22Å; L474-I503 HydrophobicContact CD1-CD1 3.73Å; L474-I503 HydrophobicContact CD1-CG2 4Å; L474-W546 HydrophobicContact CB-CH2 4.23Å; L474-W546 HydrophobicContact CB-CZ3 4.48Å; L474-W546 HydrophobicContact CD2-CH2 4.04Å; L474-W546 HydrophobicContact CD2-CZ2 4.03Å
475	G	91.3	Very high	79.3	Confident	30 Å²	30	77.8 Å²	77.8	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-160.8	176	0	0	0	0	0	113.4	E473 H487 Q488	E473-G475 PolarHBondContact O-N 3.24Å; G475-H487 PolarHBondContact O-CD2 3.29Å; G475-Q488 CarbonylContact C-O 3.52Å; G475-Q488 WeakPolarHBondContact CA-O 3.5Å; G475-Q488 PolarHBondContact N-O 3.45Å
476	R	92.2	Very high	80.1	Confident	176 Å²	176	75.3 Å²	75.3	66%	0.664	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	151.5	-179.8	65.7	178.7	177	-165.5	-5.5	113.1	I478 H487 Q488	R476-I478 HydrophobicContact CG-CG2 4.31Å; R476-H487 WeakPolarHBondContact O-CA 3.49Å; R476-Q488 HydrophobicContact CG-CG 3.72Å; R476-Q488 VanDerWaalsContact CZ-OE1 3.24Å; R476-Q488 PolarHBondContact O-N 3.42Å
477	C	90.4	Very high	80.6	Confident	55 Å²	55	73.7 Å²	73.7	37%	0.372	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	139.8	163.2	-175.7	0	0	0	0	110.3	H487	C477-H487 PolarHBondContact N-CD2 3.06Å
478	I	88.2	Confident	81.2	Confident	79 Å²	79	76.1 Å²	76.1	41%	0.405	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-8.1	178.3	60.8	171.7	0	0	0	113	R476 V486 Q488 L551	R476-I478 HydrophobicContact CG-CG2 4.31Å; I478-V486 HydrophobicContact CD1-CG1 4.09Å; I478-V486 HydrophobicContact CG1-CB 4.31Å; I478-V486 HydrophobicContact CG1-CG1 3.96Å; I478-V486 VanDerWaalsContact CG1-O 3.28Å; I478-V486 WeakPolarHBondContact CG1-O 3.49Å; I478-V486 PolarHBondContact N-O 3.39Å; I478-Q488 HydrophobicContact CD1-CB 4.29Å; I478-Q488 HydrophobicContact CG2-CB 3.92Å; I478-Q488 HydrophobicContact CG2-CG 3.87Å; I478-L551 HydrophobicContact CD1-CD1 3.77Å
479	G	79.8	Confident	82.2	Confident	31 Å²	31	71.4 Å²	71.4	32%	0.32	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	140.5	172.3	0	0	0	0	0	113.1	V486	G479-V486 PolarHBondContact N-O 3.04Å; G479-V486 VanDerWaalsContact N-O 3.16Å; G479-V486 PolarHBondContact O-N 3.45Å
480	E	75.6	Confident	82.8	Confident	167 Å²	167	70.7 Å²	70.7	78%	0.78	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	121.1	179.4	-59	-174	-172.5	0	0	111.2	D485	E480-D485 WeakPolarHBondContact CA-OD1 3.34Å
481	G	63.7	Low	83.5	Confident	33 Å²	33	66.2 Å²	66.2	34%	0.34	34%	0.339	S	S	.	.			trans	-109.4	163.3	179	0	0	0	0	0	113.5	F483 G484	G481-F483 VanDerWaalsContact C-N 3.28Å; G481-F483 PolarHBondContact O-N 3.43Å; G481-G484 CarbonylContact C-O 3.58Å; G481-G484 WeakPolarHBondContact CA-O 3.37Å; G481-G484 PolarHBondContact N-O 3.43Å; G481-G484 PolarHBondContact O-N 3Å
482	Q	58.4	Low	83.8	Confident	171 Å²	171	65.4 Å²	65.4	80%	0.799	35%	0.345	S	S	*	.	S	Bend	trans	-62.8	-32.7	179.1	-179.8	176.8	-38.3	0	0	113
483	F	55.3	Low	83.3	Confident	106 Å²	106	66.2 Å²	66.2	47%	0.465	35%	0.351	S	S	.	.	S	Bend	trans	-99.5	-13.5	-176.6	-56.6	-78	0	0	0	113.5	G481 K507 F518	G481-F483 VanDerWaalsContact C-N 3.28Å; G481-F483 PolarHBondContact O-N 3.43Å; F483-K507 PolarHBondContact O-N 3.22Å; F483-F518 HydrophobicContact CB-CD2 4.26Å; F483-F518 HydrophobicContact CB-CE2 4.41Å
484	G	70.9	Confident	82.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	162.3	-165.9	0	0	0	0	0	112.9	G481 T505	G481-G484 CarbonylContact C-O 3.58Å; G481-G484 WeakPolarHBondContact CA-O 3.37Å; G481-G484 PolarHBondContact N-O 3.43Å; G481-G484 PolarHBondContact O-N 3Å; G484-T505 CarbonylContact C-O 3.5Å; G484-T505 WeakPolarHBondContact CA-O 3.35Å
485	D	84.7	Confident	82	Confident	31 Å²	31	68.1 Å²	68.1	17%	0.166	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.5	171.4	-72.2	-30.3	0	0	0	111.1	E480 K504 T505 K507	E480-D485 WeakPolarHBondContact CA-OD1 3.34Å; D485-K504 CarbonylContact O-C 3.56Å; D485-K504 WeakPolarHBondContact O-CA 3.37Å; D485-T505 PolarHBondContact N-O 3.4Å; D485-T505 PolarHBondContact O-N 2.84Å; D485-T505 PolarHBondContact O-OG1 2.92Å; D485-K507 WeakPolarHBondContact OD1-CE 3.14Å; D485-K507 IonicContact OD1-NZ 3.36Å; D485-K507 PolarHBondContact OD1-NZ 3.05Å; D485-K507 WeakPolarHBondContact OD2-CE 3.38Å; D485-K507 IonicContact OD2-NZ 3.18Å; D485-K507 PolarHBondContact OD2-NZ 3.04Å
486	V	89.4	Confident	81.6	Confident	34 Å²	34	73.8 Å²	73.8	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.8	172.5	-171.6	0	0	0	0	108.1	I478 G479 A502 I503 K504	I478-V486 HydrophobicContact CD1-CG1 4.09Å; I478-V486 HydrophobicContact CG1-CB 4.31Å; I478-V486 HydrophobicContact CG1-CG1 3.96Å; I478-V486 VanDerWaalsContact CG1-O 3.28Å; I478-V486 WeakPolarHBondContact CG1-O 3.49Å; I478-V486 PolarHBondContact N-O 3.39Å; G479-V486 PolarHBondContact N-O 3.04Å; G479-V486 VanDerWaalsContact N-O 3.16Å; G479-V486 PolarHBondContact O-N 3.45Å; V486-A502 HydrophobicContact CG1-CB 4.31Å; V486-I503 CarbonylContact C-O 3.44Å; V486-I503 WeakPolarHBondContact CA-O 3.46Å; V486-K504 HydrophobicContact CG2-CG 4.22Å
487	H	91.3	Very high	81.3	Confident	31 Å²	31	70.7 Å²	70.7	14%	0.144	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	152.9	176.2	-62.2	74.7	0	0	0	110.3	L474 G475 R476 C477 A502 I503	L474-H487 HydrophobicContact CD1-CB 3.57Å; L474-H487 HydrophobicContact CG-CB 4.5Å; G475-H487 PolarHBondContact O-CD2 3.29Å; R476-H487 WeakPolarHBondContact O-CA 3.49Å; C477-H487 PolarHBondContact N-CD2 3.06Å; H487-A502 CarbonylContact O-C 3.59Å; H487-A502 WeakPolarHBondContact O-CA 3.43Å; H487-I503 HydrophobicContact CB-CB 4.4Å; H487-I503 PolarHBondContact N-O 3.45Å; H487-I503 PolarHBondContact O-N 3.27Å
488	Q	94.1	Very high	81.3	Confident	59 Å²	59	72.2 Å²	72.2	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	153.3	159.4	59.7	172.8	72.2	0	0	109.1	G475 R476 I478 V501 L551	G475-Q488 CarbonylContact C-O 3.52Å; G475-Q488 WeakPolarHBondContact CA-O 3.5Å; G475-Q488 PolarHBondContact N-O 3.45Å; R476-Q488 HydrophobicContact CG-CG 3.72Å; R476-Q488 VanDerWaalsContact CZ-OE1 3.24Å; R476-Q488 PolarHBondContact O-N 3.42Å; I478-Q488 HydrophobicContact CD1-CB 4.29Å; I478-Q488 HydrophobicContact CG2-CB 3.92Å; I478-Q488 HydrophobicContact CG2-CG 3.87Å; Q488-V501 CarbonylContact C-O 3.52Å; Q488-L551 HydrophobicContact CB-CD1 4.29Å; Q488-L551 HydrophobicContact CB-CD2 4.22Å
489	G	93.9	Very high	81.5	Confident	8 Å²	8	72.2 Å²	72.2	8%	0.082	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-171.9	172.8	0	0	0	0	0	112.8	E473 V501	E473-G489 CarbonylContact O-C 3.57Å; E473-G489 WeakPolarHBondContact O-CA 3.42Å; G489-V501 PolarHBondContact N-O 3Å; G489-V501 PolarHBondContact O-N 3.38Å
490	V	93.5	Very high	82.1	Confident	44 Å²	44	74.2 Å²	74.2	27%	0.267	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.7	178.2	-175.1	0	0	0	0	109.4	I472 E473 P498 L499	I472-V490 WeakPolarHBondContact CA-O 3.35Å; E473-V490 HydrophobicContact CB-CB 4.22Å; E473-V490 PolarHBondContact N-O 3.04Å; E473-V490 PolarHBondContact O-N 3.46Å; V490-P498 HydrophobicContact CG1-CB 3.48Å; V490-P498 VanDerWaalsContact CG1-CB 3.48Å; V490-L499 WeakPolarHBondContact CA-O 3.48Å
491	Y	91.7	Very high	83	Confident	39 Å²	39	66.2 Å²	66.2	15%	0.153	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.8	172	176.7	-138.7	0	0	0	110.4	I467 R471 I472 C493 L499 I537	I467-Y491 HydrophobicContact CD1-CE1 4.29Å; I467-Y491 HydrophobicContact CD1-CE2 4.3Å; I467-Y491 HydrophobicContact CG1-CE2 4.32Å; I467-Y491 HydrophobicContact CG2-CD2 4.17Å; I467-Y491 HydrophobicContact CG2-CE2 3.75Å; R471-Y491 HydrophobicContact CB-CD2 3.98Å; R471-Y491 HydrophobicContact CB-CE2 3.74Å; I472-Y491 HydrophobicContact CD1-CD2 3.61Å; I472-Y491 HydrophobicContact CD1-CG 3.93Å; I472-Y491 HydrophobicContact CG1-CD2 4.45Å; Y491-C493 HydrophobicContact CE1-CB 4.42Å; Y491-L499 PolarHBondContact N-O 3.05Å; Y491-L499 PolarHBondContact O-N 3.27Å; Y491-I537 HydrophobicContact CD1-CG2 3.97Å; Y491-I537 HydrophobicContact CE1-CG2 4.22Å
492	S	89.3	Confident	84.5	Confident	57 Å²	57	65.1 Å²	65.1	40%	0.399	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.1	178.6	-69	0	0	0	0	110.6	R471	R471-S492 WeakPolarHBondContact CB-O 3.47Å; R471-S492 PolarHBondContact O-N 3.14Å
493	C	77.2	Confident	86.1	Confident	30 Å²	30	57 Å²	57	20%	0.203	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	175.8	-177.2	0	0	0	0	109.1	Y491 D495 K496	Y491-C493 HydrophobicContact CE1-CB 4.42Å; C493-D495 PolarHBondContact O-N 3.09Å; C493-D495 VanDerWaalsContact O-N 3.08Å; C493-K496 HydrophobicContact CB-CB 4.23Å; C493-K496 PolarHBondContact O-N 3.03Å; C493-K496 VanDerWaalsContact O-N 3.17Å
494	P	72.5	Confident	87.8	Confident	101 Å²	101	52.7 Å²	52.7	66%	0.656	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.9	-175	-29.6	36.2	0	0	0	114.9
495	D	79.1	Confident	88.5	Confident	148 Å²	148	53.4 Å²	53.4	79%	0.791	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	7.5	-172.9	-46.8	-73.1	0	0	0	114	C493	C493-D495 PolarHBondContact O-N 3.09Å; C493-D495 VanDerWaalsContact O-N 3.08Å
496	K	81.6	Confident	88.1	Confident	150 Å²	150	52.3 Å²	52.3	65%	0.652	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.8	-174.4	-64.6	-176.8	-177.5	175.4	0	112	C493	C493-K496 HydrophobicContact CB-CB 4.23Å; C493-K496 PolarHBondContact O-N 3.03Å; C493-K496 VanDerWaalsContact O-N 3.17Å
497	P	87.6	Confident	87.1	Confident	111 Å²	111	55.6 Å²	55.6	72%	0.721	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	148.3	171.7	26.3	-35.3	0	0	0	111.1	L499	P497-L499 PolarHBondContact O-N 3.41Å
498	P	89.6	Confident	85.8	Confident	86 Å²	86	59.7 Å²	59.7	56%	0.558	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	130.6	178.9	-23.7	33.3	0	0	0	112	V490	V490-P498 HydrophobicContact CG1-CB 3.48Å; V490-P498 VanDerWaalsContact CG1-CB 3.48Å
499	L	91.4	Very high	84.1	Confident	80 Å²	80	57.9 Å²	57.9	42%	0.419	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.6	-171.2	-176.6	69.7	0	0	0	110.2	V490 Y491 P497 V501 I537	V490-L499 WeakPolarHBondContact CA-O 3.48Å; Y491-L499 PolarHBondContact N-O 3.05Å; Y491-L499 PolarHBondContact O-N 3.27Å; P497-L499 PolarHBondContact O-N 3.41Å; L499-V501 HydrophobicContact CD2-CG1 4.38Å; L499-V501 HydrophobicContact CG-CG1 4.31Å; L499-V501 PolarHBondContact O-N 2.85Å; L499-I537 HydrophobicContact CD2-CD1 3.78Å; L499-I537 HydrophobicContact CD2-CG2 4.5Å
500	P	93.7	Very high	82.3	Confident	72 Å²	72	63.3 Å²	63.3	47%	0.468	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.6	172.3	27.1	-34	0	0	0	111.1	L551	P500-L551 HydrophobicContact CB-CB 4.42Å; P500-L551 HydrophobicContact CB-CD2 4.04Å
501	V	94.9	Very high	80.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.2	-173.4	-63.2	0	0	0	0	112.7	I472 Q488 G489 L499 I503 I537 I548 M549	I472-V501 HydrophobicContact CD1-CG2 4.47Å; Q488-V501 CarbonylContact C-O 3.52Å; G489-V501 PolarHBondContact N-O 3Å; G489-V501 PolarHBondContact O-N 3.38Å; L499-V501 HydrophobicContact CD2-CG1 4.38Å; L499-V501 HydrophobicContact CG-CG1 4.31Å; L499-V501 PolarHBondContact O-N 2.85Å; V501-I503 HydrophobicContact CG2-CD1 4.08Å; V501-I503 HydrophobicContact CG2-CG1 3.91Å; V501-I537 HydrophobicContact CB-CD1 4.44Å; V501-I537 HydrophobicContact CG1-CD1 3.54Å; V501-I548 HydrophobicContact CB-CG2 3.8Å; V501-I548 HydrophobicContact CG1-CG2 3.91Å; V501-I548 HydrophobicContact CG2-CG2 3.99Å; V501-M549 CarbonylContact C-O 3.47Å; V501-M549 WeakPolarHBondContact CA-O 3.49Å; V501-M549 WeakPolarHBondContact CB-O 3Å
502	A	94.4	Very high	79.3	Confident	9 Å²	9	67.4 Å²	67.4	7%	0.074	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.2	166	0	0	0	0	0	109.6	V486 H487 M549 L551	V486-A502 HydrophobicContact CG1-CB 4.31Å; H487-A502 CarbonylContact O-C 3.59Å; H487-A502 WeakPolarHBondContact O-CA 3.43Å; A502-M549 HydrophobicContact CB-CB 4.43Å; A502-M549 HydrophobicContact CB-CE 4.31Å; A502-M549 PolarHBondContact N-O 3.38Å; A502-M549 PolarHBondContact O-N 3.35Å; A502-L551 HydrophobicContact CB-CD1 4.01Å
503	I	92	Very high	78.1	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	104.5	-168.7	-56.4	162.9	0	0	0	109	I472 L474 V486 H487 V501 T505 W546 I547 I548	I472-I503 HydrophobicContact CG2-CD1 3.43Å; I472-I503 VanDerWaalsContact CG2-CD1 3.43Å; I472-I503 HydrophobicContact CG2-CG1 4.33Å; L474-I503 HydrophobicContact CD1-CB 4.22Å; L474-I503 HydrophobicContact CD1-CD1 3.73Å; L474-I503 HydrophobicContact CD1-CG2 4Å; V486-I503 CarbonylContact C-O 3.44Å; V486-I503 WeakPolarHBondContact CA-O 3.46Å; H487-I503 HydrophobicContact CB-CB 4.4Å; H487-I503 PolarHBondContact N-O 3.45Å; H487-I503 PolarHBondContact O-N 3.27Å; V501-I503 HydrophobicContact CG2-CD1 4.08Å; V501-I503 HydrophobicContact CG2-CG1 3.91Å; I503-T505 HydrophobicContact CG2-CG2 3.87Å; I503-W546 HydrophobicContact CG2-CB 4.02Å; I503-W546 HydrophobicContact CG2-CD2 3.95Å; I503-W546 HydrophobicContact CG2-CE3 3.85Å; I503-W546 HydrophobicContact CG2-CG 4.02Å; I503-I547 WeakPolarHBondContact CA-O 3.42Å; I503-I548 HydrophobicContact CB-CD1 4.37Å; I503-I548 HydrophobicContact CG1-CD1 3.99Å; I503-I548 HydrophobicContact CG2-CD1 3.88Å
504	K	90.4	Very high	77.5	Confident	16 Å²	16	67.5 Å²	67.5	7%	0.07	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.4	176.6	-159.5	177.2	-158	179.2	0	108.2	D485 V486 F518 E521 W546 I547 M549 D614	D485-K504 CarbonylContact O-C 3.56Å; D485-K504 WeakPolarHBondContact O-CA 3.37Å; V486-K504 HydrophobicContact CG2-CG 4.22Å; K504-F518 HydrophobicContact CB-CZ 4.33Å; K504-F518 HydrophobicContact CD-CE2 4.45Å; K504-F518 HydrophobicContact CG-CE2 4.23Å; K504-F518 HydrophobicContact CG-CZ 4.06Å; K504-F518 WeakPolarHBondContact O-CZ 3.34Å; K504-E521 IonicContact NZ-OE1 2.65Å; K504-E521 PolarHBondContact NZ-OE1 2.91Å; K504-E521 IonicContact NZ-OE2 2.81Å; K504-E521 PolarHBondContact NZ-OE2 3.22Å; K504-W546 CarbonylContact O-C 3.57Å; K504-W546 VanDerWaalsContact O-CA 3.32Å; K504-W546 WeakPolarHBondContact O-CA 3.18Å; K504-I547 HydrophobicContact CB-CB 4.29Å; K504-I547 PolarHBondContact N-O 3.05Å; K504-I547 PolarHBondContact O-N 3Å; K504-M549 HydrophobicContact CB-CE 3.95Å; K504-D614 IonicContact NZ-OD1 3.02Å; K504-D614 PolarHBondContact NZ-OD1 3.3Å
505	T	85.7	Confident	77.4	Confident	15 Å²	15	66 Å²	66	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.3	-172.5	64.4	0	0	0	0	112	G484 D485 I503 K507 W546	G484-T505 CarbonylContact C-O 3.5Å; G484-T505 WeakPolarHBondContact CA-O 3.35Å; D485-T505 PolarHBondContact N-O 3.4Å; D485-T505 PolarHBondContact O-N 2.84Å; D485-T505 PolarHBondContact O-OG1 2.92Å; I503-T505 HydrophobicContact CG2-CG2 3.87Å; T505-K507 PolarHBondContact O-N 3.47Å; T505-W546 HydrophobicContact CG2-CD2 4.32Å; T505-W546 HydrophobicContact CG2-CG 4.02Å
506	C	77.1	Confident	77	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.061	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.3	178.2	-175.5	0	0	0	0	112.5	C509 F518 V545	C506-C509 HydrophobicContact CB-CB 4.12Å; C506-C509 WeakPolarHBondContact CB-SG 3.37Å; C506-C509 VanDerWaalsContact SG-CA 3.55Å; C506-C509 WeakPolarHBondContact SG-CB 3.49Å; C506-C509 PolarHBondContact SG-N 2.93Å; C506-C509 VanDerWaalsContact SG-N 3.35Å; C506-C509 CovalentContact SG-SG 2.04Å; C506-C509 PolarHBondContact SG-SG 3.19Å; C506-F518 HydrophobicContact CB-CD1 4.17Å; C506-F518 HydrophobicContact CB-CD2 4.49Å; C506-F518 HydrophobicContact CB-CE1 4.02Å; C506-F518 HydrophobicContact CB-CE2 4.35Å; C506-F518 HydrophobicContact CB-CG 4.4Å; C506-F518 HydrophobicContact CB-CZ 4.12Å; C506-V545 HydrophobicContact CB-CB 4.44Å; C506-V545 WeakPolarHBondContact CB-O 3.32Å; C506-V545 PolarHBondContact N-O 2.92Å
507	K	68.6	Low	76.4	Confident	103 Å²	103	59.9 Å²	59.9	45%	0.448	33%	0.332	S	S	.	.	S	Bend	trans	-75.6	-45	177.7	-84.4	176.5	-178.1	174.8	0	113.5	F483 D485 T505	F483-K507 PolarHBondContact O-N 3.22Å; D485-K507 WeakPolarHBondContact OD1-CE 3.14Å; D485-K507 IonicContact OD1-NZ 3.36Å; D485-K507 PolarHBondContact OD1-NZ 3.05Å; D485-K507 WeakPolarHBondContact OD2-CE 3.38Å; D485-K507 IonicContact OD2-NZ 3.18Å; D485-K507 PolarHBondContact OD2-NZ 3.04Å; T505-K507 PolarHBondContact O-N 3.47Å
508	N	62.8	Low	75.7	Confident	116 Å²	116	55 Å²	55	62%	0.62	30%	0.299	S	S	*	.			trans	-127.2	60	-170.8	-69.5	17.2	0	0	0	111.5	T510 V514	N508-T510 PolarHBondContact O-N 3.47Å; N508-V514 WeakPolarHBondContact O-CG1 3.37Å
509	C	58.8	Low	75.2	Confident	21 Å²	21	52.5 Å²	52.5	14%	0.142	28%	0.281	C	S	.	.			trans	-80.1	54.1	175.2	-86.5	0	0	0	0	112	C506 N543	C506-C509 HydrophobicContact CB-CB 4.12Å; C506-C509 WeakPolarHBondContact CB-SG 3.37Å; C506-C509 VanDerWaalsContact SG-CA 3.55Å; C506-C509 WeakPolarHBondContact SG-CB 3.49Å; C506-C509 PolarHBondContact SG-N 2.93Å; C506-C509 VanDerWaalsContact SG-N 3.35Å; C506-C509 CovalentContact SG-SG 2.04Å; C506-C509 PolarHBondContact SG-SG 3.19Å; C509-N543 WeakPolarHBondContact CB-OD1 3.49Å
510	T	56.3	Low	74.5	Confident	122 Å²	122	50.9 Å²	50.9	75%	0.748	27%	0.271	S	S	*	.			trans	-90.1	-11.3	-176.9	54.7	0	0	0	0	114.3	N508	N508-T510 PolarHBondContact O-N 3.47Å
511	T	58.2	Low	73.9	Confident	69 Å²	69	47.9 Å²	47.9	42%	0.423	25%	0.251	S	S	.	.	S	Bend	trans	-135.1	149.7	172.3	64	0	0	0	0	110	S513 V514 R515	T511-S513 VanDerWaalsContact C-N 3.29Å; T511-S513 PolarHBondContact O-N 3.01Å; T511-V514 PolarHBondContact O-N 2.76Å; T511-V514 VanDerWaalsContact O-N 3.14Å; T511-V514 WeakPolarHBondContact OG1-CG2 3.46Å; T511-R515 PolarHBondContact O-N 2.66Å
512	D	64.5	Low	73.3	Confident	101 Å²	101	48 Å²	48	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-41	-179	-64.4	-44.3	0	0	0	111.8	V514 R515 E516	D512-V514 PolarHBondContact O-N 2.69Å; D512-R515 WeakPolarHBondContact O-CA 3.32Å; D512-R515 WeakPolarHBondContact O-CB 3.49Å; D512-R515 PolarHBondContact O-N 2.74Å; D512-R515 IonicContact OD1-CZ 3.16Å; D512-R515 IonicContact OD1-NH1 2.65Å; D512-R515 PolarHBondContact OD1-NH1 3.42Å; D512-R515 IonicContact OD1-NH2 3.05Å; D512-R515 PolarHBondContact OD1-NH2 2.78Å; D512-E516 WeakPolarHBondContact O-CB 3.43Å; D512-E516 PolarHBondContact O-N 3.21Å
513	S	62.9	Low	72.7	Confident	27 Å²	27	50.8 Å²	50.8	19%	0.189	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-20.9	179	63.3	0	0	0	0	114.3	D445 T511 K517	D445-S513 PolarHBondContact OD2-OG 2.72Å; T511-S513 VanDerWaalsContact C-N 3.29Å; T511-S513 PolarHBondContact O-N 3.01Å; S513-K517 WeakPolarHBondContact O-CB 3.45Å; S513-K517 VanDerWaalsContact O-CD 3.22Å; S513-K517 WeakPolarHBondContact O-CD 3.39Å; S513-K517 VanDerWaalsContact O-CG 3.24Å; S513-K517 WeakPolarHBondContact O-CG 3.42Å; S513-K517 PolarHBondContact O-N 3.09Å
514	V	65.3	Low	72.2	Confident	61 Å²	61	51 Å²	51	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-81.9	-39.7	169.6	173.7	0	0	0	0	111.2	N508 T511 D512 E516 K517 F518	N508-V514 WeakPolarHBondContact O-CG1 3.37Å; T511-V514 PolarHBondContact O-N 2.76Å; T511-V514 VanDerWaalsContact O-N 3.14Å; T511-V514 WeakPolarHBondContact OG1-CG2 3.46Å; D512-V514 PolarHBondContact O-N 2.69Å; V514-E516 VanDerWaalsContact C-N 3.32Å; V514-E516 PolarHBondContact O-N 2.88Å; V514-K517 PolarHBondContact O-N 2.83Å; V514-F518 WeakPolarHBondContact O-CB 3.29Å; V514-F518 PolarHBondContact O-N 3.14Å; V514-F518 VanDerWaalsContact O-N 3.11Å
515	R	70.1	Confident	71.9	Confident	70 Å²	70	50.5 Å²	50.5	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-44.2	174.7	-175.9	-178.1	64.2	-117.5	-9.9	111.1	T511 D512 F518 L519 V545	T511-R515 PolarHBondContact O-N 2.66Å; D512-R515 WeakPolarHBondContact O-CA 3.32Å; D512-R515 WeakPolarHBondContact O-CB 3.49Å; D512-R515 PolarHBondContact O-N 2.74Å; D512-R515 IonicContact OD1-CZ 3.16Å; D512-R515 IonicContact OD1-NH1 2.65Å; D512-R515 PolarHBondContact OD1-NH1 3.42Å; D512-R515 IonicContact OD1-NH2 3.05Å; D512-R515 PolarHBondContact OD1-NH2 2.78Å; R515-F518 WeakPolarHBondContact O-CB 3.21Å; R515-F518 PolarHBondContact O-N 3.36Å; R515-L519 HydrophobicContact CG-CD1 4.08Å; R515-L519 WeakPolarHBondContact O-CG 3.41Å; R515-L519 PolarHBondContact O-N 2.88Å; R515-V545 HydrophobicContact CG-CG2 3.65Å
516	E	71.4	Confident	71.8	Confident	69 Å²	69	53.5 Å²	53.5	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-67.5	-45.3	-179.6	-175.1	150.3	-147.3	0	0	112.3	D512 V514 F518 L519 Q520	D512-E516 WeakPolarHBondContact O-CB 3.43Å; D512-E516 PolarHBondContact O-N 3.21Å; V514-E516 VanDerWaalsContact C-N 3.32Å; V514-E516 PolarHBondContact O-N 2.88Å; E516-F518 PolarHBondContact O-N 3.24Å; E516-L519 PolarHBondContact O-N 2.67Å; E516-Q520 WeakPolarHBondContact O-CB 3.4Å; E516-Q520 PolarHBondContact O-N 3.11Å
517	K	67.9	Low	72.2	Confident	101 Å²	101	57 Å²	57	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-24.6	174.1	-74.6	167.1	-175.2	146.9	0	113.4	E447 S513 V514	E447-K517 WeakPolarHBondContact OE2-CE 3.28Å; E447-K517 IonicContact OE2-NZ 2.64Å; E447-K517 PolarHBondContact OE2-NZ 2.96Å; S513-K517 WeakPolarHBondContact O-CB 3.45Å; S513-K517 VanDerWaalsContact O-CD 3.22Å; S513-K517 WeakPolarHBondContact O-CD 3.39Å; S513-K517 VanDerWaalsContact O-CG 3.24Å; S513-K517 WeakPolarHBondContact O-CG 3.42Å; S513-K517 PolarHBondContact O-N 3.09Å; V514-K517 PolarHBondContact O-N 2.83Å
518	F	74.4	Confident	73.2	Confident	9 Å²	9	52.8 Å²	52.8	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-77.6	-51.3	171.4	-168.7	-102.3	0	0	0	111.4	F483 K504 C506 V514 R515 E516 Q520 E521 V545 I547	F483-F518 HydrophobicContact CB-CD2 4.26Å; F483-F518 HydrophobicContact CB-CE2 4.41Å; K504-F518 HydrophobicContact CB-CZ 4.33Å; K504-F518 HydrophobicContact CD-CE2 4.45Å; K504-F518 HydrophobicContact CG-CE2 4.23Å; K504-F518 HydrophobicContact CG-CZ 4.06Å; K504-F518 WeakPolarHBondContact O-CZ 3.34Å; C506-F518 HydrophobicContact CB-CD1 4.17Å; C506-F518 HydrophobicContact CB-CD2 4.49Å; C506-F518 HydrophobicContact CB-CE1 4.02Å; C506-F518 HydrophobicContact CB-CE2 4.35Å; C506-F518 HydrophobicContact CB-CG 4.4Å; C506-F518 HydrophobicContact CB-CZ 4.12Å; V514-F518 WeakPolarHBondContact O-CB 3.29Å; V514-F518 PolarHBondContact O-N 3.14Å; V514-F518 VanDerWaalsContact O-N 3.11Å; R515-F518 WeakPolarHBondContact O-CB 3.21Å; R515-F518 PolarHBondContact O-N 3.36Å; E516-F518 PolarHBondContact O-N 3.24Å; F518-Q520 PolarHBondContact O-N 2.94Å; F518-E521 WeakPolarHBondContact O-CB 3.48Å; F518-E521 PolarHBondContact O-N 2.93Å; F518-E521 VanDerWaalsContact O-N 3.14Å; F518-V545 HydrophobicContact CD1-CB 4.3Å; F518-V545 HydrophobicContact CD1-CG1 3.78Å; F518-V545 HydrophobicContact CE1-CB 4.47Å; F518-V545 HydrophobicContact CE1-CG1 4.03Å; F518-V545 WeakPolarHBondContact CE1-O 3.5Å; F518-I547 HydrophobicContact CD1-CD1 3.88Å; F518-I547 HydrophobicContact CD1-CG1 4.2Å; F518-I547 HydrophobicContact CE1-CD1 3.73Å; F518-I547 HydrophobicContact CE1-CG1 3.77Å; F518-I547 HydrophobicContact CG-CD1 4.44Å; F518-I547 HydrophobicContact CZ-CD1 4.16Å; F518-I547 HydrophobicContact CZ-CG1 4.42Å; F518-I547 WeakPolarHBondContact O-CD1 3.41Å
519	L	78.4	Confident	74.5	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-29.7	177.2	-73.2	171.4	0	0	0	113.3	R515 E516 E521 A522 L523 V539 T541 V545	R515-L519 HydrophobicContact CG-CD1 4.08Å; R515-L519 WeakPolarHBondContact O-CG 3.41Å; R515-L519 PolarHBondContact O-N 2.88Å; E516-L519 PolarHBondContact O-N 2.67Å; L519-E521 PolarHBondContact O-N 3.49Å; L519-E521 VanDerWaalsContact O-N 3.17Å; L519-A522 WeakPolarHBondContact O-CB 3.44Å; L519-A522 PolarHBondContact O-N 3.17Å; L519-L523 PolarHBondContact O-N 3.29Å; L519-V539 HydrophobicContact CD2-CG1 4.46Å; L519-T541 HydrophobicContact CD1-CG2 4.29Å; L519-T541 HydrophobicContact CD2-CG2 4.15Å; L519-V545 HydrophobicContact CD2-CG1 3.59Å; L519-V545 HydrophobicContact CG-CG1 4.02Å
520	Q	77.5	Confident	76.3	Confident	46 Å²	46	53 Å²	53	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-28.8	175.7	-177.2	56.9	82.5	0	0	112.9	E516 F518 T524	E516-Q520 WeakPolarHBondContact O-CB 3.4Å; E516-Q520 PolarHBondContact O-N 3.11Å; F518-Q520 PolarHBondContact O-N 2.94Å; Q520-T524 WeakPolarHBondContact O-CB 3.41Å; Q520-T524 PolarHBondContact O-N 3.31Å; Q520-T524 PolarHBondContact O-OG1 3.19Å
521	E	80.4	Confident	78.2	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-43.9	173.2	-170	177.5	160.1	0	0	111.3	K504 F518 L519 T524 M525 I547 F615	K504-E521 IonicContact NZ-OE1 2.65Å; K504-E521 PolarHBondContact NZ-OE1 2.91Å; K504-E521 IonicContact NZ-OE2 2.81Å; K504-E521 PolarHBondContact NZ-OE2 3.22Å; F518-E521 WeakPolarHBondContact O-CB 3.48Å; F518-E521 PolarHBondContact O-N 2.93Å; F518-E521 VanDerWaalsContact O-N 3.14Å; L519-E521 PolarHBondContact O-N 3.49Å; L519-E521 VanDerWaalsContact O-N 3.17Å; E521-T524 WeakPolarHBondContact O-CB 3.37Å; E521-T524 PolarHBondContact O-N 3.47Å; E521-M525 HydrophobicContact CG-SD 4.37Å; E521-M525 WeakPolarHBondContact O-CG 3.38Å; E521-M525 PolarHBondContact O-N 3.14Å; E521-I547 HydrophobicContact CB-CD1 4.38Å; E521-F615 HydrophobicContact CG-CB 4.1Å
522	A	83.1	Confident	80.1	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-41.8	175.2	0	0	0	0	0	112.2	L519 T524 M525 R526 L536 V539 I547	L519-A522 WeakPolarHBondContact O-CB 3.44Å; L519-A522 PolarHBondContact O-N 3.17Å; A522-T524 PolarHBondContact O-N 2.92Å; A522-M525 PolarHBondContact O-N 3.18Å; A522-M525 VanDerWaalsContact O-N 3.1Å; A522-R526 PolarHBondContact O-N 3.26Å; A522-L536 HydrophobicContact CB-CD1 3.99Å; A522-L536 HydrophobicContact CB-CD2 4.28Å; A522-L536 WeakPolarHBondContact O-CD2 3.47Å; A522-V539 HydrophobicContact CB-CG1 3.49Å; A522-V539 VanDerWaalsContact CB-CG1 3.49Å; A522-I547 HydrophobicContact CB-CD1 4.14Å; A522-I547 HydrophobicContact CB-CG1 4.16Å; A522-I547 HydrophobicContact CB-CG2 3.97Å
523	L	81.1	Confident	81.6	Confident	66 Å²	66	45.4 Å²	45.4	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-29.1	174.9	-65.9	176.5	0	0	0	112.7	L519 Q527	L519-L523 PolarHBondContact O-N 3.29Å; L523-Q527 PolarHBondContact O-NE2 2.98Å
524	T	81.5	Confident	83.1	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-53.2	167.4	-80.6	0	0	0	0	111.2	Q520 E521 A522 R526 Q527 F528 F592 F615	Q520-T524 WeakPolarHBondContact O-CB 3.41Å; Q520-T524 PolarHBondContact O-N 3.31Å; Q520-T524 PolarHBondContact O-OG1 3.19Å; E521-T524 WeakPolarHBondContact O-CB 3.37Å; E521-T524 PolarHBondContact O-N 3.47Å; A522-T524 PolarHBondContact O-N 2.92Å; T524-R526 VanDerWaalsContact C-N 3.29Å; T524-R526 PolarHBondContact O-N 3.38Å; T524-Q527 WeakPolarHBondContact O-CB 3.49Å; T524-Q527 PolarHBondContact O-N 2.95Å; T524-Q527 VanDerWaalsContact O-N 3.12Å; T524-F528 HydrophobicContact CG2-CE2 3.64Å; T524-F528 HydrophobicContact CG2-CZ 3.97Å; T524-F592 HydrophobicContact CG2-CE1 3.86Å; T524-F592 HydrophobicContact CG2-CE2 4.03Å; T524-F592 HydrophobicContact CG2-CZ 3.29Å; T524-F615 HydrophobicContact CG2-CB 3.98Å; T524-F615 HydrophobicContact CG2-CD1 4.38Å; T524-F615 HydrophobicContact CG2-CG 4.32Å
525	M	83.9	Confident	84.3	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-32.1	-176.7	-69.3	175.5	71.6	0	0	113.4	E521 A522 Q527 F528 V534 L536 M549 F615	E521-M525 HydrophobicContact CG-SD 4.37Å; E521-M525 WeakPolarHBondContact O-CG 3.38Å; E521-M525 PolarHBondContact O-N 3.14Å; A522-M525 PolarHBondContact O-N 3.18Å; A522-M525 VanDerWaalsContact O-N 3.1Å; M525-Q527 PolarHBondContact O-N 3.04Å; M525-F528 PolarHBondContact O-N 3.1Å; M525-F528 VanDerWaalsContact O-N 3.1Å; M525-V534 HydrophobicContact CE-CB 4.44Å; M525-V534 HydrophobicContact CE-CG1 4.21Å; M525-V534 WeakPolarHBondContact CE-O 3.42Å; M525-L536 HydrophobicContact CB-CB 4.01Å; M525-M549 HydrophobicContact CE-CG 3.96Å; M525-M549 HydrophobicContact CE-SD 3.84Å; M525-M549 HydrophobicContact SD-SD 4.19Å; M525-F615 HydrophobicContact CE-CD2 4.39Å; M525-F615 HydrophobicContact CG-CB 4.21Å; M525-F615 HydrophobicContact CG-CD2 3.55Å; M525-F615 HydrophobicContact CG-CE2 4.29Å; M525-F615 HydrophobicContact CG-CG 4.12Å; M525-F615 HydrophobicContact SD-CD2 4.06Å
526	R	84.3	Confident	85.4	Confident	79 Å²	79	43.7 Å²	43.7	30%	0.298	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.1	174.3	-178	178.8	176.1	165.6	7.6	113.4	E461 D464 Y465 A522 T524 L536	E461-R526 PolarHBondContact O-NH1 3.26Å; D464-R526 IonicContact OD2-NH2 2.69Å; D464-R526 PolarHBondContact OD2-NH2 3.18Å; D464-R526 VanDerWaalsContact OD2-NH2 3.14Å; Y465-R526 HydrophobicContact CD2-CG 4.46Å; Y465-R526 HydrophobicContact CE2-CG 4.04Å; A522-R526 PolarHBondContact O-N 3.26Å; T524-R526 VanDerWaalsContact C-N 3.29Å; T524-R526 PolarHBondContact O-N 3.38Å; R526-L536 HydrophobicContact CB-CD2 4.01Å
527	Q	84.2	Confident	86.2	Confident	81 Å²	81	42.4 Å²	42.4	38%	0.379	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.9	-175.4	-59.9	174.6	53.5	0	0	113.8	L523 T524 M525	L523-Q527 PolarHBondContact O-NE2 2.98Å; T524-Q527 WeakPolarHBondContact O-CB 3.49Å; T524-Q527 PolarHBondContact O-N 2.95Å; T524-Q527 VanDerWaalsContact O-N 3.12Å; M525-Q527 PolarHBondContact O-N 3.04Å
528	F	89.3	Confident	87.2	Confident	15 Å²	15	37.6 Å²	37.6	7%	0.066	19%	0.187	C	C	.	.			trans	-113.3	129.6	-175.4	-50.7	-35.1	0	0	0	111.6	T524 M525 I533 Y586 L587 F592 F615	T524-F528 HydrophobicContact CG2-CE2 3.64Å; T524-F528 HydrophobicContact CG2-CZ 3.97Å; M525-F528 PolarHBondContact O-N 3.1Å; M525-F528 VanDerWaalsContact O-N 3.1Å; F528-I533 HydrophobicContact CB-CD1 4.42Å; F528-I533 HydrophobicContact CB-CG2 4.13Å; F528-I533 HydrophobicContact CD2-CG2 4.38Å; F528-Y586 HydrophobicContact CB-CE1 4.08Å; F528-Y586 HydrophobicContact CD1-CE1 4.02Å; F528-Y586 HydrophobicContact CG-CE1 4.38Å; F528-L587 HydrophobicContact CD1-CD2 3.97Å; F528-L587 HydrophobicContact CD2-CD2 4.07Å; F528-L587 HydrophobicContact CE1-CD2 3.73Å; F528-L587 HydrophobicContact CE2-CD2 3.82Å; F528-L587 HydrophobicContact CG-CD2 4.16Å; F528-L587 HydrophobicContact CZ-CD2 3.67Å; F528-F592 HydrophobicContact CE1-CD1 4.44Å; F528-F592 HydrophobicContact CE1-CD2 4.42Å; F528-F592 HydrophobicContact CE1-CG 4.23Å; F528-F592 HydrophobicContact CE2-CD1 4.16Å; F528-F592 AromaticContact CE2-CE1 3.97Å; F528-F592 HydrophobicContact CE2-CE1 3.97Å; F528-F592 HydrophobicContact CE2-CZ 4.41Å; F528-F592 HydrophobicContact CZ-CB 4.39Å; F528-F592 AromaticContact CZ-CD1 3.54Å; F528-F592 HydrophobicContact CZ-CD1 3.54Å; F528-F592 AromaticContact CZ-CD2 3.87Å; F528-F592 HydrophobicContact CZ-CD2 3.87Å; F528-F592 AromaticContact CZ-CE1 3.64Å; F528-F592 HydrophobicContact CZ-CE1 3.64Å; F528-F592 HydrophobicContact CZ-CE2 4Å; F528-F592 AromaticContact CZ-CG 3.66Å; F528-F592 HydrophobicContact CZ-CG 3.66Å; F528-F592 AromaticContact CZ-CZ 3.93Å; F528-F592 HydrophobicContact CZ-CZ 3.93Å; F528-F615 HydrophobicContact CD2-CE1 4.09Å; F528-F615 HydrophobicContact CD2-CE2 4.47Å; F528-F615 HydrophobicContact CD2-CZ 4.05Å; F528-F615 AromaticContact CE2-CD1 3.9Å; F528-F615 HydrophobicContact CE2-CD1 3.9Å; F528-F615 AromaticContact CE2-CE1 3.72Å; F528-F615 HydrophobicContact CE2-CE1 3.72Å; F528-F615 HydrophobicContact CE2-CG 4.47Å; F528-F615 HydrophobicContact CE2-CZ 4.16Å
529	D	91.8	Very high	87.8	Confident	104 Å²	104	37.7 Å²	37.7	56%	0.556	19%	0.189	S	C	*	.			trans	-137.3	106	169.8	-169.1	42.4	0	0	0	107.5	K535 Y586	D529-K535 IonicContact OD1-NZ 3.58Å; D529-K535 PolarHBondContact OD1-NZ 3.32Å; D529-Y586 PolarHBondContact N-OH 3.12Å; D529-Y586 WeakPolarHBondContact O-CE2 3.36Å; D529-Y586 PolarHBondContact O-OH 2.82Å
530	H	96.2	Very high	88.1	Confident	37 Å²	37	36.2 Å²	36.2	17%	0.171	18%	0.181	C	C	.	.			trans	-161.5	135	-173.6	-178.2	-94.2	0	0	0	110.3	H532 I533 T582 A583 Y586	H530-H532 PolarHBondContact ND1-N 2.82Å; H530-H532 PolarHBondContact O-N 2.85Å; H530-I533 HydrophobicContact CB-CB 4.26Å; H530-I533 HydrophobicContact CB-CD1 3.95Å; H530-I533 HydrophobicContact CB-CG1 4.11Å; H530-I533 PolarHBondContact O-N 2.96Å; H530-T582 PolarHBondContact CE1-OG1 3.27Å; H530-T582 VanDerWaalsContact CE1-OG1 3.27Å; H530-A583 VanDerWaalsContact CE1-CA 3.43Å; H530-A583 WeakPolarHBondContact CE1-CA 3.43Å; H530-A583 PolarHBondContact CE1-N 3.31Å; H530-A583 VanDerWaalsContact CE1-N 3.32Å; H530-Y586 HydrophobicContact CB-CD1 4.15Å; H530-Y586 HydrophobicContact CB-CD2 4.16Å; H530-Y586 HydrophobicContact CB-CE1 4.29Å; H530-Y586 HydrophobicContact CB-CE2 4.25Å; H530-Y586 HydrophobicContact CB-CG 4.08Å; H530-Y586 AromaticContact CD2-CD2 3.84Å; H530-Y586 AromaticContact CD2-CG 3.94Å
531	P	96.2	Very high	88.2	Confident	96 Å²	96	36.5 Å²	36.5	62%	0.623	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.6	-171.8	-27.4	35.8	0	0	0	117.1
532	H	97.7	Very high	87.8	Confident	31 Å²	31	41.8 Å²	41.8	14%	0.144	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	26.4	-179.9	-58.1	-64.7	0	0	0	113	H530 Q579 T582 A583 V610 L612	H530-H532 PolarHBondContact ND1-N 2.82Å; H530-H532 PolarHBondContact O-N 2.85Å; H532-Q579 VanDerWaalsContact CE1-CD 3.41Å; H532-Q579 VanDerWaalsContact CE1-CG 3.45Å; H532-Q579 WeakPolarHBondContact CE1-CG 3.2Å; H532-T582 PolarHBondContact CD2-OG1 3.47Å; H532-A583 HydrophobicContact CB-CB 4.14Å; H532-A583 WeakPolarHBondContact O-CB 3.48Å; H532-V610 PolarHBondContact ND1-O 2.61Å; H532-L612 PolarHBondContact O-N 3.23Å
533	I	96	Very high	87.2	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-123.7	131.6	169.6	-67.5	179.4	0	0	0	107.7	F528 H530 K535 A583 Y586 L587 F615	F528-I533 HydrophobicContact CB-CD1 4.42Å; F528-I533 HydrophobicContact CB-CG2 4.13Å; F528-I533 HydrophobicContact CD2-CG2 4.38Å; H530-I533 HydrophobicContact CB-CB 4.26Å; H530-I533 HydrophobicContact CB-CD1 3.95Å; H530-I533 HydrophobicContact CB-CG1 4.11Å; H530-I533 PolarHBondContact O-N 2.96Å; I533-K535 PolarHBondContact O-N 3.25Å; I533-A583 HydrophobicContact CD1-CB 4.29Å; I533-A583 HydrophobicContact CG1-CB 3.75Å; I533-Y586 HydrophobicContact CD1-CD1 3.75Å; I533-Y586 HydrophobicContact CD1-CE1 4.26Å; I533-L587 HydrophobicContact CD1-CD2 3.94Å; I533-L587 HydrophobicContact CD1-CG 4.02Å; I533-F615 HydrophobicContact CG2-CE2 3.8Å; I533-F615 HydrophobicContact CG2-CZ 3.67Å
534	V	93.8	Very high	86.9	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.042	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-60.2	119.6	-179.8	176.5	0	0	0	0	110.2	M525 M549 E550 L603 M611 L612	M525-V534 HydrophobicContact CE-CB 4.44Å; M525-V534 HydrophobicContact CE-CG1 4.21Å; M525-V534 WeakPolarHBondContact CE-O 3.42Å; V534-M549 HydrophobicContact CG1-CB 4.12Å; V534-E550 WeakPolarHBondContact CA-OE1 3.36Å; V534-E550 HydrophobicContact CG1-CG 4.14Å; V534-L603 HydrophobicContact CG2-CD1 4.13Å; V534-M611 HydrophobicContact CG2-CB 3.83Å; V534-L612 WeakPolarHBondContact CG2-O 3.37Å; V534-L612 PolarHBondContact N-O 2.89Å
535	K	91.7	Very high	87	Confident	99 Å²	99	45.6 Å²	45.6	43%	0.43	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-78.8	133.1	-174.8	-168.8	153.4	-172.5	155.6	0	112.8	D529 I533 M549 E550	D529-K535 IonicContact OD1-NZ 3.58Å; D529-K535 PolarHBondContact OD1-NZ 3.32Å; I533-K535 PolarHBondContact O-N 3.25Å; K535-M549 WeakPolarHBondContact O-CA 2.93Å; K535-E550 HydrophobicContact CB-CG 4.3Å; K535-E550 WeakPolarHBondContact CB-OE1 3.43Å; K535-E550 PolarHBondContact N-OE1 3.24Å; K535-E550 PolarHBondContact O-N 3.33Å
536	L	92	Very high	87.2	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.9	165.1	-176.7	73.3	0	0	0	109.7	Y465 A522 M525 R526 I547	Y465-L536 HydrophobicContact CD1-CD2 4.25Å; A522-L536 HydrophobicContact CB-CD1 3.99Å; A522-L536 HydrophobicContact CB-CD2 4.28Å; A522-L536 WeakPolarHBondContact O-CD2 3.47Å; M525-L536 HydrophobicContact CB-CB 4.01Å; R526-L536 HydrophobicContact CB-CD2 4.01Å; L536-I547 HydrophobicContact CD1-CG2 3.6Å
537	I	89.8	Confident	87.4	Confident	42 Å²	42	42.9 Å²	42.9	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-37.7	174.1	-63.8	174.5	0	0	0	110.2	I467 Y491 L499 V501 I548 M549 E550	I467-I537 HydrophobicContact CD1-CG2 4.25Å; Y491-I537 HydrophobicContact CD1-CG2 3.97Å; Y491-I537 HydrophobicContact CE1-CG2 4.22Å; L499-I537 HydrophobicContact CD2-CD1 3.78Å; L499-I537 HydrophobicContact CD2-CG2 4.5Å; V501-I537 HydrophobicContact CB-CD1 4.44Å; V501-I537 HydrophobicContact CG1-CD1 3.54Å; I537-I548 HydrophobicContact CB-CB 4.48Å; I537-I548 HydrophobicContact CB-CG2 4.18Å; I537-I548 HydrophobicContact CG2-CG2 4.29Å; I537-I548 PolarHBondContact N-O 3.08Å; I537-M549 VanDerWaalsContact CD1-C 3.5Å; I537-E550 HydrophobicContact CD1-CB 4.32Å
538	G	87.4	Confident	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-171.3	175.1	0	0	0	0	0	113.3	Y465 I548	Y465-G538 CarbonylContact O-C 3.54Å; Y465-G538 WeakPolarHBondContact O-CA 3.4Å; G538-I548 PolarHBondContact N-O 2.91Å; G538-I548 WeakPolarHBondContact O-CB 3.26Å; G538-I548 PolarHBondContact O-N 3.19Å
539	V	88.7	Confident	88	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157	-179.6	-68.9	0	0	0	0	110.9	Y465 I467 L519 A522 T541	Y465-V539 PolarHBondContact O-N 3.23Å; I467-V539 PolarHBondContact N-O 3.02Å; L519-V539 HydrophobicContact CD2-CG1 4.46Å; A522-V539 HydrophobicContact CB-CG1 3.49Å; A522-V539 VanDerWaalsContact CB-CG1 3.49Å; V539-T541 HydrophobicContact CG2-CG2 4.29Å
540	I	83.8	Confident	88	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	107.5	165.8	-60.9	168.7	0	0	0	106.1	I467 R469 I472 E542 V545 W546 I548	I467-I540 HydrophobicContact CB-CG1 4.21Å; I467-I540 HydrophobicContact CG2-CG1 4.4Å; I467-I540 WeakPolarHBondContact O-CG1 3.35Å; R469-I540 HydrophobicContact CB-CD1 4.18Å; R469-I540 HydrophobicContact CB-CG2 4.34Å; R469-I540 HydrophobicContact CG-CD1 4.45Å; I472-I540 HydrophobicContact CG1-CD1 4.1Å; I540-E542 HydrophobicContact CG2-CB 4.13Å; I540-V545 WeakPolarHBondContact O-CA 3.27Å; I540-V545 WeakPolarHBondContact O-CG1 3.29Å; I540-W546 HydrophobicContact CB-CB 4.21Å; I540-W546 HydrophobicContact CD1-CB 4.23Å; I540-W546 HydrophobicContact CD1-CD2 4.16Å; I540-W546 HydrophobicContact CD1-CE3 3.54Å; I540-W546 HydrophobicContact CD1-CG 4.5Å; I540-W546 HydrophobicContact CD1-CZ3 4.18Å; I540-W546 PolarHBondContact N-O 3.41Å; I540-W546 PolarHBondContact O-N 3.44Å; I540-W546 VanDerWaalsContact O-N 3.09Å; I540-I548 HydrophobicContact CD1-CD1 4.27Å
541	T	80.3	Confident	87.9	Confident	52 Å²	52	36.6 Å²	36.6	32%	0.319	19%	0.193	S	C	.	.			trans	-83.5	-15.6	-175.7	57.1	0	0	0	0	113.7	A462 E466 L519 V539 V545	A462-T541 HydrophobicContact CB-CG2 4.38Å; E466-T541 VanDerWaalsContact CD-OG1 3.27Å; E466-T541 WeakPolarHBondContact OE1-CB 3.26Å; E466-T541 PolarHBondContact OE1-N 2.95Å; E466-T541 PolarHBondContact OE1-OG1 3.28Å; E466-T541 WeakPolarHBondContact OE2-CG2 3.29Å; E466-T541 PolarHBondContact OE2-OG1 2.8Å; L519-T541 HydrophobicContact CD1-CG2 4.29Å; L519-T541 HydrophobicContact CD2-CG2 4.15Å; V539-T541 HydrophobicContact CG2-CG2 4.29Å; T541-V545 WeakPolarHBondContact O-CG2 3.47Å
542	E	71.6	Confident	87.8	Confident	120 Å²	120	32.3 Å²	32.3	56%	0.561	17%	0.165	S	C	*	.	S	Bend	trans	-60.5	136.9	167.9	-65.7	-178.4	169.6	0	0	111.3	R469 I540 P544 V545	R469-E542 IonicContact CZ-OE2 2.38Å; R469-E542 IonicContact NH1-OE2 2.69Å; R469-E542 PolarHBondContact NH1-OE2 3.08Å; R469-E542 PolarHBondContact NH2-O 3.01Å; I540-E542 HydrophobicContact CG2-CB 4.13Å; E542-P544 CarbonylContact O-C 3.55Å; E542-V545 PolarHBondContact O-N 3.09Å
543	N	69.6	Low	87.6	Confident	87 Å²	87	35.7 Å²	35.7	47%	0.465	19%	0.188	S	C	.	.	S	Bend	trans	-65.3	141.2	173.6	-92.1	-25.4	0	0	0	112	R469 C509	R469-N543 PolarHBondContact NH1-O 3.5Å; C509-N543 WeakPolarHBondContact CB-OD1 3.49Å
544	P	75.3	Confident	87.4	Confident	68 Å²	68	38.8 Å²	38.8	44%	0.442	20%	0.204	S	C	.	.	S	Bend	cis	-72.9	128.9	-11.2	30.6	-33.1	0	0	0	111.3	R469 E542 W546	R469-P544 PolarHBondContact NH2-O 2.72Å; E542-P544 CarbonylContact O-C 3.55Å; P544-W546 PolarHBondContact O-N 2.97Å; P544-W546 PolarHBondContact O-NE1 2.91Å
545	V	82.9	Confident	87.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.9	133	-173.5	174.2	0	0	0	0	112.4	C506 R515 F518 L519 I540 T541 E542	C506-V545 HydrophobicContact CB-CB 4.44Å; C506-V545 WeakPolarHBondContact CB-O 3.32Å; C506-V545 PolarHBondContact N-O 2.92Å; R515-V545 HydrophobicContact CG-CG2 3.65Å; F518-V545 HydrophobicContact CD1-CB 4.3Å; F518-V545 HydrophobicContact CD1-CG1 3.78Å; F518-V545 HydrophobicContact CE1-CB 4.47Å; F518-V545 HydrophobicContact CE1-CG1 4.03Å; F518-V545 WeakPolarHBondContact CE1-O 3.5Å; L519-V545 HydrophobicContact CD2-CG1 3.59Å; L519-V545 HydrophobicContact CG-CG1 4.02Å; I540-V545 WeakPolarHBondContact O-CA 3.27Å; I540-V545 WeakPolarHBondContact O-CG1 3.29Å; T541-V545 WeakPolarHBondContact O-CG2 3.47Å; E542-V545 PolarHBondContact O-N 3.09Å
546	W	87.9	Confident	87.4	Confident	28 Å²	28	37.9 Å²	37.9	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.5	177.7	-59.3	-4.5	0	0	0	111.1	R469 I472 L474 I503 K504 T505 I540 P544 I548	R469-W546 HydrophobicContact CG-CH2 4.17Å; R469-W546 HydrophobicContact CG-CZ3 4.18Å; I472-W546 HydrophobicContact CB-CZ3 4.13Å; I472-W546 HydrophobicContact CG2-CE3 4.08Å; I472-W546 HydrophobicContact CG2-CZ3 3.72Å; L474-W546 HydrophobicContact CB-CH2 4.23Å; L474-W546 HydrophobicContact CB-CZ3 4.48Å; L474-W546 HydrophobicContact CD2-CH2 4.04Å; L474-W546 HydrophobicContact CD2-CZ2 4.03Å; I503-W546 HydrophobicContact CG2-CB 4.02Å; I503-W546 HydrophobicContact CG2-CD2 3.95Å; I503-W546 HydrophobicContact CG2-CE3 3.85Å; I503-W546 HydrophobicContact CG2-CG 4.02Å; K504-W546 CarbonylContact O-C 3.57Å; K504-W546 VanDerWaalsContact O-CA 3.32Å; K504-W546 WeakPolarHBondContact O-CA 3.18Å; T505-W546 HydrophobicContact CG2-CD2 4.32Å; T505-W546 HydrophobicContact CG2-CG 4.02Å; I540-W546 HydrophobicContact CB-CB 4.21Å; I540-W546 HydrophobicContact CD1-CB 4.23Å; I540-W546 HydrophobicContact CD1-CD2 4.16Å; I540-W546 HydrophobicContact CD1-CE3 3.54Å; I540-W546 HydrophobicContact CD1-CG 4.5Å; I540-W546 HydrophobicContact CD1-CZ3 4.18Å; I540-W546 PolarHBondContact N-O 3.41Å; I540-W546 PolarHBondContact O-N 3.44Å; I540-W546 VanDerWaalsContact O-N 3.09Å; P544-W546 PolarHBondContact O-N 2.97Å; P544-W546 PolarHBondContact O-NE1 2.91Å; W546-I548 HydrophobicContact CB-CD1 4.12Å
547	I	90.1	Very high	87.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	170.2	-58	169.2	0	0	0	108	I503 K504 F518 E521 A522 L536 M549	I503-I547 WeakPolarHBondContact CA-O 3.42Å; K504-I547 HydrophobicContact CB-CB 4.29Å; K504-I547 PolarHBondContact N-O 3.05Å; K504-I547 PolarHBondContact O-N 3Å; F518-I547 HydrophobicContact CD1-CD1 3.88Å; F518-I547 HydrophobicContact CD1-CG1 4.2Å; F518-I547 HydrophobicContact CE1-CD1 3.73Å; F518-I547 HydrophobicContact CE1-CG1 3.77Å; F518-I547 HydrophobicContact CG-CD1 4.44Å; F518-I547 HydrophobicContact CZ-CD1 4.16Å; F518-I547 HydrophobicContact CZ-CG1 4.42Å; F518-I547 WeakPolarHBondContact O-CD1 3.41Å; E521-I547 HydrophobicContact CB-CD1 4.38Å; A522-I547 HydrophobicContact CB-CD1 4.14Å; A522-I547 HydrophobicContact CB-CG1 4.16Å; A522-I547 HydrophobicContact CB-CG2 3.97Å; L536-I547 HydrophobicContact CD1-CG2 3.6Å; I547-M549 HydrophobicContact CG2-CG 4.14Å
548	I	91.3	Very high	87.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.3	-174.1	-43	-59.1	0	0	0	109.2	I467 I472 V501 I503 I537 G538 I540 W546	I467-I548 HydrophobicContact CD1-CB 4.08Å; I467-I548 HydrophobicContact CD1-CG1 3.92Å; I467-I548 HydrophobicContact CD1-CG2 4.31Å; I472-I548 HydrophobicContact CD1-CD1 4.15Å; I472-I548 HydrophobicContact CD1-CG1 4.34Å; I472-I548 HydrophobicContact CD1-CG2 4.15Å; I472-I548 HydrophobicContact CG1-CD1 4.32Å; V501-I548 HydrophobicContact CB-CG2 3.8Å; V501-I548 HydrophobicContact CG1-CG2 3.91Å; V501-I548 HydrophobicContact CG2-CG2 3.99Å; I503-I548 HydrophobicContact CB-CD1 4.37Å; I503-I548 HydrophobicContact CG1-CD1 3.99Å; I503-I548 HydrophobicContact CG2-CD1 3.88Å; I537-I548 HydrophobicContact CB-CB 4.48Å; I537-I548 HydrophobicContact CB-CG2 4.18Å; I537-I548 HydrophobicContact CG2-CG2 4.29Å; I537-I548 PolarHBondContact N-O 3.08Å; G538-I548 PolarHBondContact N-O 2.91Å; G538-I548 WeakPolarHBondContact O-CB 3.26Å; G538-I548 PolarHBondContact O-N 3.19Å; I540-I548 HydrophobicContact CD1-CD1 4.27Å; W546-I548 HydrophobicContact CB-CD1 4.12Å
549	M	93.3	Very high	87.9	Confident	18 Å²	18	39.9 Å²	39.9	9%	0.089	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	164	-173.2	-56.6	170.6	-67.3	0	0	110.4	V501 A502 K504 M525 V534 K535 I537 I547	V501-M549 CarbonylContact C-O 3.47Å; V501-M549 WeakPolarHBondContact CA-O 3.49Å; V501-M549 WeakPolarHBondContact CB-O 3Å; A502-M549 HydrophobicContact CB-CB 4.43Å; A502-M549 HydrophobicContact CB-CE 4.31Å; A502-M549 PolarHBondContact N-O 3.38Å; A502-M549 PolarHBondContact O-N 3.35Å; K504-M549 HydrophobicContact CB-CE 3.95Å; M525-M549 HydrophobicContact CE-CG 3.96Å; M525-M549 HydrophobicContact CE-SD 3.84Å; M525-M549 HydrophobicContact SD-SD 4.19Å; V534-M549 HydrophobicContact CG1-CB 4.12Å; K535-M549 WeakPolarHBondContact O-CA 2.93Å; I537-M549 VanDerWaalsContact CD1-C 3.5Å; I547-M549 HydrophobicContact CG2-CG 4.14Å
550	E	93.4	Very high	88.3	Confident	49 Å²	49	40.1 Å²	40.1	23%	0.229	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	144.8	172.7	71.2	-174.5	145.4	0	0	112.7	V534 K535 I537 C552 M611	V534-E550 WeakPolarHBondContact CA-OE1 3.36Å; V534-E550 HydrophobicContact CG1-CG 4.14Å; K535-E550 HydrophobicContact CB-CG 4.3Å; K535-E550 WeakPolarHBondContact CB-OE1 3.43Å; K535-E550 PolarHBondContact N-OE1 3.24Å; K535-E550 PolarHBondContact O-N 3.33Å; I537-E550 HydrophobicContact CD1-CB 4.32Å; E550-C552 PolarHBondContact O-N 3.07Å; E550-M611 WeakPolarHBondContact OE1-CE 3.33Å
551	L	94.1	Very high	88.9	Confident	37 Å²	37	40.1 Å²	40.1	19%	0.194	22%	0.221	C	C	.	.			trans	-90.8	99.8	-178.1	-173.9	64	0	0	0	111.9	I478 Q488 P500 A502 T553	I478-L551 HydrophobicContact CD1-CD1 3.77Å; Q488-L551 HydrophobicContact CB-CD1 4.29Å; Q488-L551 HydrophobicContact CB-CD2 4.22Å; P500-L551 HydrophobicContact CB-CB 4.42Å; P500-L551 HydrophobicContact CB-CD2 4.04Å; A502-L551 HydrophobicContact CB-CD1 4.01Å; L551-T553 WeakPolarHBondContact O-CG2 3.43Å; L551-T553 PolarHBondContact O-N 3.35Å
552	C	94.2	Very high	89.5	Confident	7 Å²	7	42.1 Å²	42.1	5%	0.047	23%	0.227	C	C	.	.			trans	-68.3	97.2	170	-55.7	0	0	0	0	110.6	E550 L554 G555 L603 V604 M611	E550-C552 PolarHBondContact O-N 3.07Å; C552-L554 PolarHBondContact O-N 2.88Å; C552-G555 PolarHBondContact O-N 3.47Å; C552-G555 VanDerWaalsContact O-N 3.13Å; C552-L603 HydrophobicContact CB-CB 3.5Å; C552-L603 HydrophobicContact CB-CD1 4.05Å; C552-L603 HydrophobicContact CB-CG 4.4Å; C552-V604 CarbonylContact C-O 3.57Å; C552-V604 VanDerWaalsContact C-O 3.29Å; C552-V604 WeakPolarHBondContact CB-O 3.15Å; C552-M611 VanDerWaalsContact SG-SD 3.65Å
553	T	92.3	Very high	90.6	Very high	101 Å²	101	42.1 Å²	42.1	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.3	-162	68.2	0	0	0	0	116.1	L551 S605	L551-T553 WeakPolarHBondContact O-CG2 3.43Å; L551-T553 PolarHBondContact O-N 3.35Å; T553-S605 PolarHBondContact OG1-O 3.36Å
554	L	92.9	Very high	91.7	Very high	72 Å²	72	42.3 Å²	42.3	38%	0.377	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.8	-177.5	-60.1	176.1	0	0	0	113.3	C552 F560 V604 V607	C552-L554 PolarHBondContact O-N 2.88Å; L554-F560 HydrophobicContact CB-CD2 4.21Å; L554-F560 HydrophobicContact CB-CE2 4.38Å; L554-F560 HydrophobicContact CD1-CE2 4Å; L554-V604 WeakPolarHBondContact CA-O 3.43Å; L554-V604 HydrophobicContact CB-CB 3.78Å; L554-V604 HydrophobicContact CB-CG1 3.77Å; L554-V604 WeakPolarHBondContact CB-O 3.21Å; L554-V604 HydrophobicContact CD1-CG1 3.97Å; L554-V604 HydrophobicContact CG-CG1 4.48Å; L554-V604 PolarHBondContact N-O 3.42Å; L554-V607 HydrophobicContact CD1-CG1 4Å
555	G	91.6	Very high	92.5	Very high	30 Å²	30	42.8 Å²	42.8	31%	0.309	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-155.1	166.5	0	0	0	0	0	115.9	C552 L557 L603 V604	C552-G555 PolarHBondContact O-N 3.47Å; C552-G555 VanDerWaalsContact O-N 3.13Å; G555-L557 PolarHBondContact O-N 3.43Å; G555-L603 CarbonylContact O-C 3.56Å; G555-L603 WeakPolarHBondContact O-CA 3.48Å; G555-V604 PolarHBondContact O-N 2.98Å
556	E	92.3	Very high	92.9	Very high	56 Å²	56	53.2 Å²	53.2	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122.8	-179.1	-174.9	-156.2	-170.9	0	0	111.4	R558 S559 F560 R600	E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 HydrophobicContact CG-CB 4.13Å; E556-R558 PolarHBondContact O-N 2.98Å; E556-R558 WeakPolarHBondContact OE1-CB 3.47Å; E556-S559 PolarHBondContact O-N 3.36Å; E556-S559 WeakPolarHBondContact OE2-CB 3.41Å; E556-S559 PolarHBondContact OE2-OG 3.37Å; E556-F560 PolarHBondContact O-N 3.03Å; E556-R600 HydrophobicContact CG-CB 4.45Å; E556-R600 WeakPolarHBondContact OE1-CA 3.22Å; E556-R600 WeakPolarHBondContact OE1-CB 3.24Å
557	L	95.9	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-42.3	179.5	173.7	61.5	0	0	0	112.1	G555 S559 F560 L561 F576 V602 V604 V610 I665	G555-L557 PolarHBondContact O-N 3.43Å; L557-S559 VanDerWaalsContact C-N 3.29Å; L557-S559 PolarHBondContact O-N 2.56Å; L557-F560 HydrophobicContact CD1-CD1 4.26Å; L557-F560 PolarHBondContact O-N 3.24Å; L557-L561 HydrophobicContact CD1-CD1 4.01Å; L557-L561 HydrophobicContact CD1-CD2 4.27Å; L557-L561 HydrophobicContact CD1-CG 3.78Å; L557-L561 HydrophobicContact CG-CD1 3.84Å; L557-L561 HydrophobicContact CG-CG 4.13Å; L557-L561 WeakPolarHBondContact O-CB 3.47Å; L557-L561 WeakPolarHBondContact O-CG 3.36Å; L557-L561 PolarHBondContact O-N 2.78Å; L557-F576 HydrophobicContact CD1-CD2 3.8Å; L557-F576 HydrophobicContact CD1-CE2 3.83Å; L557-V602 HydrophobicContact CB-CB 4.06Å; L557-V602 HydrophobicContact CB-CG1 3.95Å; L557-V602 WeakPolarHBondContact CB-O 3.44Å; L557-V602 HydrophobicContact CD2-CB 4Å; L557-V602 HydrophobicContact CD2-CG1 3.53Å; L557-V602 HydrophobicContact CG-CG1 4.37Å; L557-V602 PolarHBondContact N-O 2.85Å; L557-V604 VanDerWaalsContact CA-CG2 3.5Å; L557-V604 HydrophobicContact CB-CG2 3.79Å; L557-V604 HydrophobicContact CD1-CG2 3.76Å; L557-V604 HydrophobicContact CG-CG2 4.38Å; L557-V610 HydrophobicContact CD1-CG1 3.98Å; L557-V610 HydrophobicContact CD2-CG1 4.14Å; L557-I665 HydrophobicContact CD2-CD1 4.15Å; L557-I665 HydrophobicContact CD2-CG1 4.07Å
558	R	92.8	Very high	93.2	Very high	46 Å²	46	57 Å²	57	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-33.2	178.2	175.7	169.4	-179.4	-70.7	-30.8	113.5	E556 Q562 A599 G669	E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 HydrophobicContact CG-CB 4.13Å; E556-R558 PolarHBondContact O-N 2.98Å; E556-R558 WeakPolarHBondContact OE1-CB 3.47Å; R558-Q562 WeakPolarHBondContact O-CG 3.02Å; R558-Q562 PolarHBondContact O-NE2 3.37Å; R558-A599 HydrophobicContact CB-CB 3.85Å; R558-A599 VanDerWaalsContact CB-O 3.24Å; R558-A599 WeakPolarHBondContact CB-O 3.48Å; R558-A599 PolarHBondContact N-O 2.91Å; R558-G669 PolarHBondContact NE-O 3.13Å; R558-G669 PolarHBondContact NH2-O 3.06Å
559	S	91.9	Very high	93.3	Very high	54 Å²	54	59.9 Å²	59.9	38%	0.378	31%	0.312	S	S	.	.	H	α-helix	trans	-79.7	-41.3	173.9	-74.7	0	0	0	0	111.9	E556 L557 L561 Q562 V563	E556-S559 PolarHBondContact O-N 3.36Å; E556-S559 WeakPolarHBondContact OE2-CB 3.41Å; E556-S559 PolarHBondContact OE2-OG 3.37Å; L557-S559 VanDerWaalsContact C-N 3.29Å; L557-S559 PolarHBondContact O-N 2.56Å; S559-L561 PolarHBondContact O-N 2.9Å; S559-Q562 PolarHBondContact O-N 3.04Å; S559-V563 WeakPolarHBondContact O-CG2 3.35Å; S559-V563 PolarHBondContact O-N 3.33Å; S559-V563 VanDerWaalsContact O-N 3.15Å
560	F	96	Very high	93.4	Very high	17 Å²	17	60.4 Å²	60.4	8%	0.075	32%	0.315	C	S	.	.	H	α-helix	trans	-54.9	-48.4	172.9	176.8	-94.7	0	0	0	112.1	L554 E556 L557 Q562 V563 K564 L568 F576 V604	L554-F560 HydrophobicContact CB-CD2 4.21Å; L554-F560 HydrophobicContact CB-CE2 4.38Å; L554-F560 HydrophobicContact CD1-CE2 4Å; E556-F560 PolarHBondContact O-N 3.03Å; L557-F560 HydrophobicContact CD1-CD1 4.26Å; L557-F560 PolarHBondContact O-N 3.24Å; F560-Q562 VanDerWaalsContact C-N 3.32Å; F560-Q562 PolarHBondContact O-N 2.85Å; F560-V563 PolarHBondContact O-N 3.43Å; F560-K564 HydrophobicContact CD2-CG 4.06Å; F560-K564 HydrophobicContact CE1-CB 4.43Å; F560-K564 HydrophobicContact CE1-CG 4.38Å; F560-K564 HydrophobicContact CE2-CG 3.81Å; F560-K564 HydrophobicContact CG-CG 4.44Å; F560-K564 HydrophobicContact CZ-CB 4.46Å; F560-K564 HydrophobicContact CZ-CG 3.99Å; F560-K564 VanDerWaalsContact O-CB 3.31Å; F560-K564 WeakPolarHBondContact O-CB 3.25Å; F560-K564 PolarHBondContact O-N 3.38Å; F560-L568 HydrophobicContact CD1-CD1 4.44Å; F560-L568 HydrophobicContact CE1-CD1 4.09Å; F560-L568 HydrophobicContact CE1-CD2 3.97Å; F560-L568 HydrophobicContact CZ-CD2 4.4Å; F560-F576 HydrophobicContact CE1-CE2 4.17Å; F560-F576 HydrophobicContact CE1-CZ 4.06Å; F560-V604 HydrophobicContact CB-CG2 3.94Å; F560-V604 HydrophobicContact CD1-CG1 4.4Å; F560-V604 HydrophobicContact CD1-CG2 4.12Å; F560-V604 HydrophobicContact CD2-CG1 4.29Å; F560-V604 HydrophobicContact CE1-CG1 4.35Å; F560-V604 HydrophobicContact CE2-CG1 4.25Å; F560-V604 HydrophobicContact CG-CG1 4.37Å; F560-V604 HydrophobicContact CG-CG2 3.98Å; F560-V604 HydrophobicContact CZ-CG1 4.28Å
561	L	96.4	Very high	93.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-39.9	178	-76.6	168.5	0	0	0	113.3	L557 S559 K565 L568 L573 I665	L557-L561 HydrophobicContact CD1-CD1 4.01Å; L557-L561 HydrophobicContact CD1-CD2 4.27Å; L557-L561 HydrophobicContact CD1-CG 3.78Å; L557-L561 HydrophobicContact CG-CD1 3.84Å; L557-L561 HydrophobicContact CG-CG 4.13Å; L557-L561 WeakPolarHBondContact O-CB 3.47Å; L557-L561 WeakPolarHBondContact O-CG 3.36Å; L557-L561 PolarHBondContact O-N 2.78Å; S559-L561 PolarHBondContact O-N 2.9Å; L561-K565 WeakPolarHBondContact O-CA 3.47Å; L561-K565 PolarHBondContact O-N 2.87Å; L561-K565 VanDerWaalsContact O-N 3.14Å; L561-L568 HydrophobicContact CD2-CD1 3.87Å; L561-L573 HydrophobicContact CD2-CD2 3.42Å; L561-L573 VanDerWaalsContact CD2-CD2 3.42Å; L561-I665 HydrophobicContact CD1-CB 4.5Å; L561-I665 HydrophobicContact CD1-CG1 4.32Å
562	Q	93.7	Very high	93.7	Very high	94 Å²	94	58 Å²	58	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-70	-42.8	179.7	-72.9	168.4	60.4	0	0	111.2	R558 S559 F560 Y668	R558-Q562 WeakPolarHBondContact O-CG 3.02Å; R558-Q562 PolarHBondContact O-NE2 3.37Å; S559-Q562 PolarHBondContact O-N 3.04Å; F560-Q562 VanDerWaalsContact C-N 3.32Å; F560-Q562 PolarHBondContact O-N 2.85Å; Q562-Y668 WeakPolarHBondContact CG-O 3.47Å
563	V	94.5	Very high	93.8	Very high	121 Å²	121	57.8 Å²	57.8	73%	0.733	30%	0.304	S	S	*	.	H	α-helix	trans	-70.7	-40.3	178.9	174.2	0	0	0	0	111.9	S559 F560	S559-V563 WeakPolarHBondContact O-CG2 3.35Å; S559-V563 PolarHBondContact O-N 3.33Å; S559-V563 VanDerWaalsContact O-N 3.15Å; F560-V563 PolarHBondContact O-N 3.43Å
564	K	93.3	Very high	94.1	Very high	90 Å²	90	53 Å²	53	39%	0.391	27%	0.274	S	S	.	.	S	Bend	trans	-94	9.4	-174.8	-66.1	-70.8	-174.2	172.3	0	114.3	F560 Y566 S567 L568	F560-K564 HydrophobicContact CD2-CG 4.06Å; F560-K564 HydrophobicContact CE1-CB 4.43Å; F560-K564 HydrophobicContact CE1-CG 4.38Å; F560-K564 HydrophobicContact CE2-CG 3.81Å; F560-K564 HydrophobicContact CG-CG 4.44Å; F560-K564 HydrophobicContact CZ-CB 4.46Å; F560-K564 HydrophobicContact CZ-CG 3.99Å; F560-K564 VanDerWaalsContact O-CB 3.31Å; F560-K564 WeakPolarHBondContact O-CB 3.25Å; F560-K564 PolarHBondContact O-N 3.38Å; K564-Y566 PolarHBondContact O-N 3.25Å; K564-S567 WeakPolarHBondContact CA-OG 3.47Å; K564-S567 WeakPolarHBondContact CD-OG 3.5Å; K564-S567 CarbonylContact O-C 3.59Å; K564-S567 WeakPolarHBondContact O-CA 3.48Å; K564-S567 PolarHBondContact O-N 3.03Å; K564-S567 PolarHBondContact O-OG 3.07Å; K564-L568 HydrophobicContact CB-CD1 3.82Å; K564-L568 HydrophobicContact CB-CG 3.89Å; K564-L568 WeakPolarHBondContact O-CG 3.43Å; K564-L568 PolarHBondContact O-N 2.94Å; K564-L568 VanDerWaalsContact O-N 3.16Å
565	K	91.8	Very high	94.4	Very high	78 Å²	78	51 Å²	51	34%	0.339	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-34.7	-175.2	177.8	167	-175.7	174.4	0	116.2	L561 Y668	L561-K565 WeakPolarHBondContact O-CA 3.47Å; L561-K565 PolarHBondContact O-N 2.87Å; L561-K565 VanDerWaalsContact O-N 3.14Å; K565-Y668 HydrophobicContact CB-CD1 3.89Å; K565-Y668 HydrophobicContact CB-CE1 4.44Å; K565-Y668 HydrophobicContact CB-CG 4.32Å; K565-Y668 HydrophobicContact CD-CD1 4.41Å; K565-Y668 HydrophobicContact CD-CD2 4.41Å; K565-Y668 HydrophobicContact CD-CG 4.04Å; K565-Y668 HydrophobicContact CG-CD1 3.68Å; K565-Y668 HydrophobicContact CG-CD2 4.3Å; K565-Y668 HydrophobicContact CG-CE1 4.05Å; K565-Y668 HydrophobicContact CG-CG 3.8Å; K565-Y668 WeakPolarHBondContact O-CE1 3.35Å
566	Y	91.6	Very high	94.7	Very high	220 Å²	220	49.6 Å²	49.6	86%	0.863	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	3.7	-179.2	-60.5	-76.2	0	0	0	114.1	K564	K564-Y566 PolarHBondContact O-N 3.25Å
567	S	91.4	Very high	95	Very high	84 Å²	84	46.9 Å²	46.9	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.6	3.1	-177.5	53.9	0	0	0	0	113.6	K564	K564-S567 WeakPolarHBondContact CA-OG 3.47Å; K564-S567 WeakPolarHBondContact CD-OG 3.5Å; K564-S567 CarbonylContact O-C 3.59Å; K564-S567 WeakPolarHBondContact O-CA 3.48Å; K564-S567 PolarHBondContact O-N 3.03Å; K564-S567 PolarHBondContact O-OG 3.07Å
568	L	93.1	Very high	95.1	Very high	24 Å²	24	49.6 Å²	49.6	13%	0.126	25%	0.247	C	C	.	.			trans	-104.8	134.6	174.6	-67.9	169.9	0	0	0	108.9	F560 L561 K564 T572 L573 Y668	F560-L568 HydrophobicContact CD1-CD1 4.44Å; F560-L568 HydrophobicContact CE1-CD1 4.09Å; F560-L568 HydrophobicContact CE1-CD2 3.97Å; F560-L568 HydrophobicContact CZ-CD2 4.4Å; L561-L568 HydrophobicContact CD2-CD1 3.87Å; K564-L568 HydrophobicContact CB-CD1 3.82Å; K564-L568 HydrophobicContact CB-CG 3.89Å; K564-L568 WeakPolarHBondContact O-CG 3.43Å; K564-L568 PolarHBondContact O-N 2.94Å; K564-L568 VanDerWaalsContact O-N 3.16Å; L568-T572 HydrophobicContact CD2-CG2 3.84Å; L568-L573 HydrophobicContact CD1-CD2 4.28Å; L568-Y668 HydrophobicContact CB-CE1 4.5Å
569	D	93.2	Very high	95.4	Very high	60 Å²	60	48.1 Å²	48.1	32%	0.321	24%	0.243	S	C	.	.			trans	-94.3	169.1	171.8	59.8	32.1	0	0	0	111.7	A571 T572 L573 Q737	D569-A571 VanDerWaalsContact C-N 3.32Å; D569-A571 PolarHBondContact O-N 3.41Å; D569-A571 PolarHBondContact OD1-N 3.31Å; D569-T572 PolarHBondContact O-N 3Å; D569-T572 VanDerWaalsContact OD1-CB 3.23Å; D569-T572 WeakPolarHBondContact OD1-CB 3.39Å; D569-T572 PolarHBondContact OD1-N 3.16Å; D569-T572 PolarHBondContact OD1-OG1 2.82Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.44Å; D569-Q737 PolarHBondContact OD2-NE2 2.89Å
570	L	95.2	Very high	95.7	Very high	29 Å²	29	45.5 Å²	45.5	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-37.5	-179.9	179.4	59.1	0	0	0	112.1	T572 L573 I574 L666 Q696 P698 E733	L570-T572 VanDerWaalsContact C-N 3.32Å; L570-T572 PolarHBondContact O-N 3.15Å; L570-L573 PolarHBondContact O-N 3.01Å; L570-I574 HydrophobicContact CD1-CD1 4Å; L570-I574 HydrophobicContact CD1-CG1 4.22Å; L570-I574 HydrophobicContact CG-CD1 3.81Å; L570-I574 HydrophobicContact CG-CG1 4.46Å; L570-I574 VanDerWaalsContact O-CG1 3.27Å; L570-I574 WeakPolarHBondContact O-CG1 3.4Å; L570-I574 PolarHBondContact O-N 3.46Å; L570-L666 HydrophobicContact CD1-CD2 3.91Å; L570-Q696 WeakPolarHBondContact CD2-O 3.28Å; L570-P698 HydrophobicContact CD2-CG 3.93Å; L570-E733 HydrophobicContact CB-CG 4.42Å; L570-E733 HydrophobicContact CD2-CG 4.09Å; L570-E733 HydrophobicContact CG-CG 4.08Å
571	A	96.1	Very high	95.9	Very high	6 Å²	6	44.7 Å²	44.7	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-37.7	178.3	0	0	0	0	0	112.3	D569 I574 L575 L730 E733 K734	D569-A571 VanDerWaalsContact C-N 3.32Å; D569-A571 PolarHBondContact O-N 3.41Å; D569-A571 PolarHBondContact OD1-N 3.31Å; A571-I574 PolarHBondContact O-N 2.89Å; A571-L575 VanDerWaalsContact O-CB 3.29Å; A571-L575 WeakPolarHBondContact O-CB 3.43Å; A571-L575 PolarHBondContact O-N 3.31Å; A571-L730 WeakPolarHBondContact O-CD1 3.39Å; A571-E733 HydrophobicContact CB-CG 4.37Å; A571-K734 HydrophobicContact CB-CG 4.24Å
572	T	96.8	Very high	96	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-40.6	175.6	-56.5	0	0	0	0	111.7	L568 D569 L570 I574 L575 F576	L568-T572 HydrophobicContact CD2-CG2 3.84Å; D569-T572 PolarHBondContact O-N 3Å; D569-T572 VanDerWaalsContact OD1-CB 3.23Å; D569-T572 WeakPolarHBondContact OD1-CB 3.39Å; D569-T572 PolarHBondContact OD1-N 3.16Å; D569-T572 PolarHBondContact OD1-OG1 2.82Å; L570-T572 VanDerWaalsContact C-N 3.32Å; L570-T572 PolarHBondContact O-N 3.15Å; T572-I574 VanDerWaalsContact C-N 3.34Å; T572-I574 PolarHBondContact O-N 3.38Å; T572-L575 WeakPolarHBondContact O-CB 3.43Å; T572-L575 PolarHBondContact O-N 3.1Å; T572-F576 HydrophobicContact CG2-CD1 4.47Å; T572-F576 HydrophobicContact CG2-CE1 3.8Å; T572-F576 HydrophobicContact CG2-CE2 3.94Å; T572-F576 HydrophobicContact CG2-CZ 3.5Å; T572-F576 WeakPolarHBondContact O-CG 3.41Å; T572-F576 PolarHBondContact O-N 3.34Å
573	L	98	Very high	96.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-35.3	176.3	-60.6	175.7	0	0	0	112.3	L561 L568 D569 L570 S577 I665 L666 Y668	L561-L573 HydrophobicContact CD2-CD2 3.42Å; L561-L573 VanDerWaalsContact CD2-CD2 3.42Å; L568-L573 HydrophobicContact CD1-CD2 4.28Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.44Å; L570-L573 PolarHBondContact O-N 3.01Å; L573-S577 PolarHBondContact O-N 2.92Å; L573-S577 PolarHBondContact O-OG 3.35Å; L573-I665 HydrophobicContact CB-CG2 3.93Å; L573-I665 HydrophobicContact CD2-CG2 3.86Å; L573-I665 HydrophobicContact CG-CG2 4.48Å; L573-I665 WeakPolarHBondContact O-CG2 3.37Å; L573-L666 HydrophobicContact CB-CD2 3.85Å; L573-L666 HydrophobicContact CD1-CD2 4.18Å; L573-Y668 HydrophobicContact CD1-CE1 3.93Å; L573-Y668 HydrophobicContact CD1-CE2 4.42Å
574	I	98.1	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.9	-38.3	172.8	-62.1	167.6	0	0	0	110.5	L570 A571 T572 F576 S577 Y578 P698 L701 I729 L730 E733	L570-I574 HydrophobicContact CD1-CD1 4Å; L570-I574 HydrophobicContact CD1-CG1 4.22Å; L570-I574 HydrophobicContact CG-CD1 3.81Å; L570-I574 HydrophobicContact CG-CG1 4.46Å; L570-I574 VanDerWaalsContact O-CG1 3.27Å; L570-I574 WeakPolarHBondContact O-CG1 3.4Å; L570-I574 PolarHBondContact O-N 3.46Å; A571-I574 PolarHBondContact O-N 2.89Å; T572-I574 VanDerWaalsContact C-N 3.34Å; T572-I574 PolarHBondContact O-N 3.38Å; I574-F576 PolarHBondContact O-N 3.22Å; I574-S577 WeakPolarHBondContact O-CB 3.47Å; I574-S577 PolarHBondContact O-N 2.89Å; I574-Y578 WeakPolarHBondContact O-CB 3.29Å; I574-Y578 PolarHBondContact O-N 2.82Å; I574-P698 HydrophobicContact CD1-CG 4.45Å; I574-L701 HydrophobicContact CD1-CD2 4.14Å; I574-L701 HydrophobicContact CG1-CD2 3.74Å; I574-I729 HydrophobicContact CD1-CG2 4.17Å; I574-I729 HydrophobicContact CG2-CG2 4.31Å; I574-L730 HydrophobicContact CB-CD1 4.11Å; I574-L730 HydrophobicContact CG2-CB 3.8Å; I574-L730 HydrophobicContact CG2-CD1 3.96Å; I574-L730 HydrophobicContact CG2-CG 4.43Å; I574-E733 HydrophobicContact CD1-CB 4.03Å; I574-E733 HydrophobicContact CD1-CG 4.07Å
575	L	98.4	Very high	96.5	Very high	31 Å²	31	31.5 Å²	31.5	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-47	174.9	175.8	63.3	0	0	0	111.3	A571 T572 S577 Y578 Q579 D608 L730	A571-L575 VanDerWaalsContact O-CB 3.29Å; A571-L575 WeakPolarHBondContact O-CB 3.43Å; A571-L575 PolarHBondContact O-N 3.31Å; T572-L575 WeakPolarHBondContact O-CB 3.43Å; T572-L575 PolarHBondContact O-N 3.1Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 3.11Å; L575-Y578 PolarHBondContact O-N 3.44Å; L575-Q579 HydrophobicContact CD1-CG 4.14Å; L575-Q579 HydrophobicContact CG-CG 4.45Å; L575-Q579 WeakPolarHBondContact O-CB 3.14Å; L575-Q579 VanDerWaalsContact O-CG 3.3Å; L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3Å; L575-D608 HydrophobicContact CD2-CB 4.32Å; L575-D608 WeakPolarHBondContact CD2-O 3.2Å; L575-L730 HydrophobicContact CB-CD1 4.13Å; L575-L730 HydrophobicContact CB-CD2 4.38Å; L575-L730 HydrophobicContact CD1-CD2 3.93Å
576	F	98.6	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-41.5	175.1	-62	-18.9	0	0	0	112	L557 F560 T572 I574 Q579 L580 V607 V610 I665	L557-F576 HydrophobicContact CD1-CD2 3.8Å; L557-F576 HydrophobicContact CD1-CE2 3.83Å; F560-F576 HydrophobicContact CE1-CE2 4.17Å; F560-F576 HydrophobicContact CE1-CZ 4.06Å; T572-F576 HydrophobicContact CG2-CD1 4.47Å; T572-F576 HydrophobicContact CG2-CE1 3.8Å; T572-F576 HydrophobicContact CG2-CE2 3.94Å; T572-F576 HydrophobicContact CG2-CZ 3.5Å; T572-F576 WeakPolarHBondContact O-CG 3.41Å; T572-F576 PolarHBondContact O-N 3.34Å; I574-F576 PolarHBondContact O-N 3.22Å; F576-Q579 PolarHBondContact O-N 3.39Å; F576-L580 WeakPolarHBondContact O-CG 3.47Å; F576-L580 PolarHBondContact O-N 3.31Å; F576-V607 WeakPolarHBondContact CZ-O 3.43Å; F576-V610 HydrophobicContact CB-CG1 4.2Å; F576-V610 HydrophobicContact CB-CG2 3.94Å; F576-V610 HydrophobicContact CD1-CB 4.42Å; F576-V610 HydrophobicContact CD1-CG1 3.52Å; F576-V610 HydrophobicContact CD1-CG2 4.14Å; F576-V610 HydrophobicContact CD2-CG1 4.2Å; F576-V610 HydrophobicContact CE1-CG1 3.83Å; F576-V610 HydrophobicContact CE2-CG1 4.46Å; F576-V610 HydrophobicContact CG-CG1 3.72Å; F576-V610 HydrophobicContact CG-CG2 4.27Å; F576-V610 HydrophobicContact CZ-CG1 4.29Å; F576-I665 HydrophobicContact CB-CD1 4.39Å
577	S	98.5	Very high	96.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-42.4	176.2	-57.2	0	0	0	0	111.8	L573 I574 L575 S581 F658	L573-S577 PolarHBondContact O-N 2.92Å; L573-S577 PolarHBondContact O-OG 3.35Å; I574-S577 WeakPolarHBondContact O-CB 3.47Å; I574-S577 PolarHBondContact O-N 2.89Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 3.11Å; S577-S581 PolarHBondContact O-N 3.46Å; S577-F658 WeakPolarHBondContact O-CZ 3.24Å
578	Y	98.7	Very high	97	Very high	56 Å²	56	17.5 Å²	17.5	22%	0.22	9%	0.089	C	C	.	.	H	α-helix	trans	-63.4	-49.6	174.7	171.6	-106.3	0	0	0	111.8	I574 L575 L580 S581 T582 K723 L726 L730	I574-Y578 WeakPolarHBondContact O-CB 3.29Å; I574-Y578 PolarHBondContact O-N 2.82Å; L575-Y578 PolarHBondContact O-N 3.44Å; Y578-L580 VanDerWaalsContact C-N 3.35Å; Y578-L580 PolarHBondContact O-N 3.48Å; Y578-S581 WeakPolarHBondContact O-CA 3.26Å; Y578-S581 WeakPolarHBondContact O-CB 3.47Å; Y578-S581 PolarHBondContact O-N 3.08Å; Y578-S581 PolarHBondContact O-OG 3.43Å; Y578-T582 HydrophobicContact CE1-CG2 4.1Å; Y578-T582 HydrophobicContact CE2-CG2 4.04Å; Y578-T582 WeakPolarHBondContact O-CG2 3.14Å; Y578-T582 PolarHBondContact O-N 3.29Å; Y578-K723 HydrophobicContact CE2-CG 3.87Å; Y578-L726 HydrophobicContact CD2-CB 4.14Å; Y578-L730 HydrophobicContact CD1-CD2 4.1Å; Y578-L730 HydrophobicContact CG-CD2 4.21Å
579	Q	98.6	Very high	97	Very high	15 Å²	15	20.5 Å²	20.5	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-55.9	-47.5	178.6	-73.8	176	-14.3	0	0	111.6	H532 L575 F576 S581 T582 A583 D608 V610	H532-Q579 VanDerWaalsContact CE1-CD 3.41Å; H532-Q579 VanDerWaalsContact CE1-CG 3.45Å; H532-Q579 WeakPolarHBondContact CE1-CG 3.2Å; L575-Q579 HydrophobicContact CD1-CG 4.14Å; L575-Q579 HydrophobicContact CG-CG 4.45Å; L575-Q579 WeakPolarHBondContact O-CB 3.14Å; L575-Q579 VanDerWaalsContact O-CG 3.3Å; L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3Å; F576-Q579 PolarHBondContact O-N 3.39Å; Q579-S581 VanDerWaalsContact C-N 3.35Å; Q579-S581 PolarHBondContact O-N 2.95Å; Q579-T582 PolarHBondContact O-N 3.4Å; Q579-T582 VanDerWaalsContact O-N 3.1Å; Q579-T582 PolarHBondContact O-OG1 2.66Å; Q579-A583 PolarHBondContact O-N 2.96Å; Q579-D608 PolarHBondContact NE2-O 2.68Å; Q579-D608 PolarHBondContact OE1-O 3.1Å; Q579-V610 HydrophobicContact CB-CG2 3.99Å
580	L	98.6	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-40	174	-69.9	173	0	0	0	112.8	F576 Y578 T582 A583 L584 V602 V610 L612 F658 I665	F576-L580 WeakPolarHBondContact O-CG 3.47Å; F576-L580 PolarHBondContact O-N 3.31Å; Y578-L580 VanDerWaalsContact C-N 3.35Å; Y578-L580 PolarHBondContact O-N 3.48Å; L580-T582 PolarHBondContact O-N 3.05Å; L580-A583 PolarHBondContact O-N 3.33Å; L580-L584 WeakPolarHBondContact O-CB 3.41Å; L580-L584 VanDerWaalsContact O-CG 3.29Å; L580-L584 WeakPolarHBondContact O-CG 3.45Å; L580-L584 PolarHBondContact O-N 2.84Å; L580-V602 HydrophobicContact CD1-CG1 4.23Å; L580-V602 HydrophobicContact CD1-CG2 3.95Å; L580-V602 HydrophobicContact CD2-CB 4.42Å; L580-V602 HydrophobicContact CD2-CG1 3.83Å; L580-V602 HydrophobicContact CD2-CG2 3.66Å; L580-V602 HydrophobicContact CG-CG1 4.46Å; L580-V602 HydrophobicContact CG-CG2 4.47Å; L580-V610 HydrophobicContact CD2-CG2 4.38Å; L580-V610 HydrophobicContact CG-CG2 4.05Å; L580-L612 HydrophobicContact CD2-CB 4.12Å; L580-L612 HydrophobicContact CD2-CD1 4.3Å; L580-F658 HydrophobicContact CB-CD2 4.5Å; L580-F658 HydrophobicContact CB-CE2 3.86Å; L580-I665 HydrophobicContact CD1-CD1 3.85Å
581	S	98.6	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-29.8	175.2	79.1	0	0	0	0	113.1	S577 Y578 Q579 A585 K723	S577-S581 PolarHBondContact O-N 3.46Å; Y578-S581 WeakPolarHBondContact O-CA 3.26Å; Y578-S581 WeakPolarHBondContact O-CB 3.47Å; Y578-S581 PolarHBondContact O-N 3.08Å; Y578-S581 PolarHBondContact O-OG 3.43Å; Q579-S581 VanDerWaalsContact C-N 3.35Å; Q579-S581 PolarHBondContact O-N 2.95Å; S581-A585 VanDerWaalsContact O-CB 3.28Å; S581-A585 WeakPolarHBondContact O-CB 3.36Å; S581-A585 PolarHBondContact O-N 2.73Å; S581-K723 VanDerWaalsContact OG-CA 3.31Å; S581-K723 WeakPolarHBondContact OG-CA 2.98Å
582	T	98.5	Very high	95.8	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-69.8	-43.6	174	69.9	0	0	0	0	112.1	H530 H532 Y578 Q579 L580 A585 Y586 K723	H530-T582 PolarHBondContact CE1-OG1 3.27Å; H530-T582 VanDerWaalsContact CE1-OG1 3.27Å; H532-T582 PolarHBondContact CD2-OG1 3.47Å; Y578-T582 HydrophobicContact CE1-CG2 4.1Å; Y578-T582 HydrophobicContact CE2-CG2 4.04Å; Y578-T582 WeakPolarHBondContact O-CG2 3.14Å; Y578-T582 PolarHBondContact O-N 3.29Å; Q579-T582 PolarHBondContact O-N 3.4Å; Q579-T582 VanDerWaalsContact O-N 3.1Å; Q579-T582 PolarHBondContact O-OG1 2.66Å; L580-T582 PolarHBondContact O-N 3.05Å; T582-A585 PolarHBondContact O-N 3.14Å; T582-Y586 PolarHBondContact O-N 2.99Å; T582-K723 HydrophobicContact CG2-CD 3.9Å; T582-K723 HydrophobicContact CG2-CG 4.09Å
583	A	97.7	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-41.4	175.3	0	0	0	0	0	112.2	H530 H532 I533 Q579 L580 Y586 L587 L612	H530-A583 VanDerWaalsContact CE1-CA 3.43Å; H530-A583 WeakPolarHBondContact CE1-CA 3.43Å; H530-A583 PolarHBondContact CE1-N 3.31Å; H530-A583 VanDerWaalsContact CE1-N 3.32Å; H532-A583 HydrophobicContact CB-CB 4.14Å; H532-A583 WeakPolarHBondContact O-CB 3.48Å; I533-A583 HydrophobicContact CD1-CB 4.29Å; I533-A583 HydrophobicContact CG1-CB 3.75Å; Q579-A583 PolarHBondContact O-N 2.96Å; L580-A583 PolarHBondContact O-N 3.33Å; A583-Y586 WeakPolarHBondContact O-CB 3.42Å; A583-Y586 PolarHBondContact O-N 2.88Å; A583-L587 WeakPolarHBondContact O-CG 3.49Å; A583-L587 PolarHBondContact O-N 3.04Å; A583-L612 HydrophobicContact CB-CB 4.33Å; A583-L612 HydrophobicContact CB-CD2 4.17Å
584	L	98	Very high	95	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-72.8	-32.7	179.8	-66.8	167.9	0	0	0	112.4	L580 Y586 L587 E588 I597 L612 F658 F719	L580-L584 WeakPolarHBondContact O-CB 3.41Å; L580-L584 VanDerWaalsContact O-CG 3.29Å; L580-L584 WeakPolarHBondContact O-CG 3.45Å; L580-L584 PolarHBondContact O-N 2.84Å; L584-Y586 VanDerWaalsContact C-N 3.33Å; L584-L587 HydrophobicContact CD2-CD1 4.4Å; L584-L587 PolarHBondContact O-N 2.96Å; L584-E588 WeakPolarHBondContact O-CB 3.48Å; L584-E588 PolarHBondContact O-N 3.1Å; L584-I597 HydrophobicContact CD1-CD1 4.08Å; L584-I597 HydrophobicContact CD1-CG2 4.19Å; L584-I597 HydrophobicContact CD2-CD1 3.43Å; L584-I597 VanDerWaalsContact CD2-CD1 3.43Å; L584-I597 HydrophobicContact CD2-CG1 3.98Å; L584-I597 HydrophobicContact CG-CD1 4.42Å; L584-L612 HydrophobicContact CD2-CD2 3.57Å; L584-L612 HydrophobicContact CG-CD2 3.99Å; L584-F658 HydrophobicContact CD1-CB 3.96Å; L584-F658 HydrophobicContact CD1-CD2 3.4Å; L584-F658 HydrophobicContact CD1-CE2 4.07Å; L584-F658 HydrophobicContact CD1-CG 3.77Å; L584-F719 HydrophobicContact CB-CB 4.43Å; L584-F719 HydrophobicContact CB-CD1 3.49Å; L584-F719 VanDerWaalsContact CB-CD1 3.49Å; L584-F719 HydrophobicContact CB-CD2 3.99Å; L584-F719 HydrophobicContact CB-CE1 3.54Å; L584-F719 HydrophobicContact CB-CE2 4.01Å; L584-F719 HydrophobicContact CB-CG 3.72Å; L584-F719 HydrophobicContact CB-CZ 3.78Å; L584-F719 HydrophobicContact CD1-CD1 4.23Å; L584-F719 HydrophobicContact CD1-CE1 3.55Å; L584-F719 HydrophobicContact CD1-CZ 3.92Å; L584-F719 HydrophobicContact CD2-CZ 4.31Å; L584-F719 HydrophobicContact CG-CD1 4.48Å; L584-F719 HydrophobicContact CG-CE1 4.09Å; L584-F719 HydrophobicContact CG-CZ 4.22Å
585	A	97.8	Very high	94.5	Very high	14 Å²	14	25 Å²	25	12%	0.116	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-34.9	169.3	0	0	0	0	0	112.3	S581 T582 S589 F719 T720	S581-A585 VanDerWaalsContact O-CB 3.28Å; S581-A585 WeakPolarHBondContact O-CB 3.36Å; S581-A585 PolarHBondContact O-N 2.73Å; T582-A585 PolarHBondContact O-N 3.14Å; A585-S589 PolarHBondContact O-N 3.2Å; A585-F719 HydrophobicContact CB-CB 3.88Å; A585-T720 HydrophobicContact CB-CG2 4.39Å
586	Y	96.9	Very high	94	Very high	48 Å²	48	24.1 Å²	24.1	19%	0.188	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-48.4	172	179.1	-86.9	0	0	0	111.4	F528 D529 H530 I533 T582 A583 L584 E588 S589 K590	F528-Y586 HydrophobicContact CB-CE1 4.08Å; F528-Y586 HydrophobicContact CD1-CE1 4.02Å; F528-Y586 HydrophobicContact CG-CE1 4.38Å; D529-Y586 PolarHBondContact N-OH 3.12Å; D529-Y586 WeakPolarHBondContact O-CE2 3.36Å; D529-Y586 PolarHBondContact O-OH 2.82Å; H530-Y586 HydrophobicContact CB-CD1 4.15Å; H530-Y586 HydrophobicContact CB-CD2 4.16Å; H530-Y586 HydrophobicContact CB-CE1 4.29Å; H530-Y586 HydrophobicContact CB-CE2 4.25Å; H530-Y586 HydrophobicContact CB-CG 4.08Å; H530-Y586 AromaticContact CD2-CD2 3.84Å; H530-Y586 AromaticContact CD2-CG 3.94Å; I533-Y586 HydrophobicContact CD1-CD1 3.75Å; I533-Y586 HydrophobicContact CD1-CE1 4.26Å; T582-Y586 PolarHBondContact O-N 2.99Å; A583-Y586 WeakPolarHBondContact O-CB 3.42Å; A583-Y586 PolarHBondContact O-N 2.88Å; L584-Y586 VanDerWaalsContact C-N 3.33Å; Y586-E588 PolarHBondContact O-N 2.88Å; Y586-S589 WeakPolarHBondContact O-CB 3.33Å; Y586-S589 PolarHBondContact O-N 3.03Å; Y586-S589 VanDerWaalsContact O-N 3.13Å; Y586-S589 PolarHBondContact O-OG 3.43Å; Y586-K590 HydrophobicContact CD1-CG 4.28Å; Y586-K590 HydrophobicContact CE1-CG 4Å; Y586-K590 WeakPolarHBondContact O-CG 3.45Å; Y586-K590 PolarHBondContact O-N 3.37Å; Y586-K590 VanDerWaalsContact O-N 3.07Å; Y586-K590 WeakPolarHBondContact OH-CE 3.5Å
587	L	93.6	Very high	93.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-39.5	176.2	-67	179.8	0	0	0	112.5	F528 I533 A583 L584 S589 K590 R591 F592 L612 F615	F528-L587 HydrophobicContact CD1-CD2 3.97Å; F528-L587 HydrophobicContact CD2-CD2 4.07Å; F528-L587 HydrophobicContact CE1-CD2 3.73Å; F528-L587 HydrophobicContact CE2-CD2 3.82Å; F528-L587 HydrophobicContact CG-CD2 4.16Å; F528-L587 HydrophobicContact CZ-CD2 3.67Å; I533-L587 HydrophobicContact CD1-CD2 3.94Å; I533-L587 HydrophobicContact CD1-CG 4.02Å; A583-L587 WeakPolarHBondContact O-CG 3.49Å; A583-L587 PolarHBondContact O-N 3.04Å; L584-L587 HydrophobicContact CD2-CD1 4.4Å; L584-L587 PolarHBondContact O-N 2.96Å; L587-S589 VanDerWaalsContact C-N 3.32Å; L587-S589 PolarHBondContact O-N 3.3Å; L587-K590 CarbonylContact O-C 3.58Å; L587-K590 WeakPolarHBondContact O-CA 3.17Å; L587-K590 PolarHBondContact O-N 2.99Å; L587-K590 VanDerWaalsContact O-N 3.08Å; L587-R591 PolarHBondContact O-N 2.97Å; L587-F592 HydrophobicContact CB-CB 4.35Å; L587-F592 HydrophobicContact CD2-CB 4.29Å; L587-F592 HydrophobicContact CD2-CD1 4.06Å; L587-F592 HydrophobicContact CD2-CG 4.49Å; L587-F592 PolarHBondContact O-N 2.87Å; L587-L612 HydrophobicContact CD1-CD2 4.03Å; L587-F615 HydrophobicContact CD1-CE1 3.97Å; L587-F615 HydrophobicContact CD2-CE1 4.35Å
588	E	93.3	Very high	93.6	Very high	37 Å²	37	24.1 Å²	24.1	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-42	172.6	-175.9	172.8	-135.8	0	0	111.4	L584 Y586 K590 R591 F719	L584-E588 WeakPolarHBondContact O-CB 3.48Å; L584-E588 PolarHBondContact O-N 3.1Å; Y586-E588 PolarHBondContact O-N 2.88Å; E588-K590 VanDerWaalsContact C-N 3.27Å; E588-K590 PolarHBondContact O-N 3.12Å; E588-R591 PolarHBondContact O-N 3.28Å; E588-R591 VanDerWaalsContact O-N 3.12Å; E588-F719 HydrophobicContact CB-CD2 4.21Å; E588-F719 WeakPolarHBondContact OE2-CB 3.49Å; E588-F719 PolarHBondContact OE2-N 3.31Å
589	S	93.2	Very high	93.4	Very high	87 Å²	87	21.4 Å²	21.4	61%	0.608	11%	0.105	S	C	*	.	H	α-helix	trans	-66.1	-27.3	175.5	81.4	0	0	0	0	113.7	A585 Y586 L587 R591	A585-S589 PolarHBondContact O-N 3.2Å; Y586-S589 WeakPolarHBondContact O-CB 3.33Å; Y586-S589 PolarHBondContact O-N 3.03Å; Y586-S589 VanDerWaalsContact O-N 3.13Å; Y586-S589 PolarHBondContact O-OG 3.43Å; L587-S589 VanDerWaalsContact C-N 3.32Å; L587-S589 PolarHBondContact O-N 3.3Å; S589-R591 VanDerWaalsContact C-N 3.3Å
590	K	88.6	Confident	93	Very high	91 Å²	91	24.2 Å²	24.2	40%	0.396	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.5	174.7	-64.7	-76.8	-173.5	154.9	0	113.2	Y586 L587 E588 F592	Y586-K590 HydrophobicContact CD1-CG 4.28Å; Y586-K590 HydrophobicContact CE1-CG 4Å; Y586-K590 WeakPolarHBondContact O-CG 3.45Å; Y586-K590 PolarHBondContact O-N 3.37Å; Y586-K590 VanDerWaalsContact O-N 3.07Å; Y586-K590 WeakPolarHBondContact OH-CE 3.5Å; L587-K590 CarbonylContact O-C 3.58Å; L587-K590 WeakPolarHBondContact O-CA 3.17Å; L587-K590 PolarHBondContact O-N 2.99Å; L587-K590 VanDerWaalsContact O-N 3.08Å; E588-K590 VanDerWaalsContact C-N 3.27Å; E588-K590 PolarHBondContact O-N 3.12Å; K590-F592 HydrophobicContact CB-CB 4.39Å; K590-F592 PolarHBondContact O-N 2.63Å
591	R	85.2	Confident	92.7	Very high	107 Å²	107	25 Å²	25	40%	0.404	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	30.4	-175.2	-59.7	175.7	162.4	-141.3	-0.1	113.7	L587 E588 S589 Y620 M621 D623	L587-R591 PolarHBondContact O-N 2.97Å; E588-R591 PolarHBondContact O-N 3.28Å; E588-R591 VanDerWaalsContact O-N 3.12Å; S589-R591 VanDerWaalsContact C-N 3.3Å; R591-Y620 HydrophobicContact CB-CD2 4.31Å; R591-Y620 HydrophobicContact CB-CE2 3.85Å; R591-M621 PolarHBondContact O-N 2.69Å; R591-D623 IonicContact CZ-OD1 2.69Å; R591-D623 IonicContact NH1-OD1 3.87Å; R591-D623 PolarHBondContact NH1-OD1 2.99Å; R591-D623 IonicContact NH1-OD2 3.67Å; R591-D623 IonicContact NH2-OD1 2.74Å; R591-D623 PolarHBondContact NH2-OD1 2.75Å
592	F	86	Confident	92.6	Very high	7 Å²	7	25 Å²	25	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.9	-170.6	-156.1	-99.6	0	0	0	111.7	T524 F528 L587 K590 F615 R619	T524-F592 HydrophobicContact CG2-CE1 3.86Å; T524-F592 HydrophobicContact CG2-CE2 4.03Å; T524-F592 HydrophobicContact CG2-CZ 3.29Å; F528-F592 HydrophobicContact CE1-CD1 4.44Å; F528-F592 HydrophobicContact CE1-CD2 4.42Å; F528-F592 HydrophobicContact CE1-CG 4.23Å; F528-F592 HydrophobicContact CE2-CD1 4.16Å; F528-F592 AromaticContact CE2-CE1 3.97Å; F528-F592 HydrophobicContact CE2-CE1 3.97Å; F528-F592 HydrophobicContact CE2-CZ 4.41Å; F528-F592 HydrophobicContact CZ-CB 4.39Å; F528-F592 AromaticContact CZ-CD1 3.54Å; F528-F592 HydrophobicContact CZ-CD1 3.54Å; F528-F592 AromaticContact CZ-CD2 3.87Å; F528-F592 HydrophobicContact CZ-CD2 3.87Å; F528-F592 AromaticContact CZ-CE1 3.64Å; F528-F592 HydrophobicContact CZ-CE1 3.64Å; F528-F592 HydrophobicContact CZ-CE2 4Å; F528-F592 AromaticContact CZ-CG 3.66Å; F528-F592 HydrophobicContact CZ-CG 3.66Å; F528-F592 AromaticContact CZ-CZ 3.93Å; F528-F592 HydrophobicContact CZ-CZ 3.93Å; L587-F592 HydrophobicContact CB-CB 4.35Å; L587-F592 HydrophobicContact CD2-CB 4.29Å; L587-F592 HydrophobicContact CD2-CD1 4.06Å; L587-F592 HydrophobicContact CD2-CG 4.49Å; L587-F592 PolarHBondContact O-N 2.87Å; K590-F592 HydrophobicContact CB-CB 4.39Å; K590-F592 PolarHBondContact O-N 2.63Å; F592-F615 HydrophobicContact CE1-CD1 4.07Å; F592-R619 VanDerWaalsContact CD2-C 3.48Å
593	V	87.9	Confident	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.7	-178.7	-172.1	0	0	0	0	109.7	R595 S618 R619 M621 F649 D654	V593-R595 HydrophobicContact CB-CG 4.3Å; V593-R595 HydrophobicContact CG1-CG 3.66Å; V593-S618 VanDerWaalsContact O-CA 3.25Å; V593-S618 WeakPolarHBondContact O-CA 3.47Å; V593-S618 WeakPolarHBondContact O-CB 3.49Å; V593-R619 PolarHBondContact N-O 2.89Å; V593-R619 PolarHBondContact O-N 3.1Å; V593-R619 VanDerWaalsContact O-N 3.15Å; V593-M621 HydrophobicContact CG2-CE 3.51Å; V593-M621 HydrophobicContact CG2-CG 3.72Å; V593-M621 HydrophobicContact CG2-SD 3.43Å; V593-M621 WeakPolarHBondContact CG2-SD 3.38Å; V593-F649 HydrophobicContact CG1-CB 4.34Å; V593-D654 WeakPolarHBondContact CA-OD2 3.28Å; V593-D654 WeakPolarHBondContact CG1-OD1 3.42Å; V593-D654 VanDerWaalsContact CG1-OD2 3.32Å; V593-D654 WeakPolarHBondContact CG1-OD2 3.35Å
594	H	90.8	Very high	92.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.129	C	C	.	.			trans	-78.7	-38.7	-174.8	-162.7	-47	0	0	0	112.9	D596 I597 L612 G613 D614 F615 S618 D654	H594-D596 PolarHBondContact O-N 3.15Å; H594-D596 VanDerWaalsContact O-N 3.09Å; H594-I597 HydrophobicContact CB-CD1 4.17Å; H594-I597 HydrophobicContact CB-CG1 3.86Å; H594-L612 WeakPolarHBondContact NE2-CD1 3.45Å; H594-L612 WeakPolarHBondContact NE2-CG 3.32Å; H594-G613 PolarHBondContact CE1-O 3.15Å; H594-G613 VanDerWaalsContact CE1-O 3.27Å; H594-G613 PolarHBondContact NE2-O 3.04Å; H594-D614 PolarHBondContact CE1-O 3.09Å; H594-F615 AromaticContact CD2-CE1 3.96Å; H594-S618 WeakPolarHBondContact CA-OG 3.33Å; H594-S618 PolarHBondContact O-OG 2.84Å; H594-D654 PolarHBondContact N-OD2 2.79Å
595	R	86.8	Confident	92.3	Very high	14 Å²	14	28.5 Å²	28.5	5%	0.053	14%	0.14	C	C	.	.	S	Bend	trans	67.3	-6	174.5	-48.6	-176.4	-173.3	150.6	-9.6	118	V593 L617 Y627 F649 D654 M657	V593-R595 HydrophobicContact CB-CG 4.3Å; V593-R595 HydrophobicContact CG1-CG 3.66Å; R595-L617 WeakPolarHBondContact CD-O 3.14Å; R595-L617 PolarHBondContact NH1-O 3.49Å; R595-Y627 VanDerWaalsContact NH1-CE1 3.31Å; R595-Y627 VanDerWaalsContact NH2-CD1 3.33Å; R595-F649 HydrophobicContact CB-CD1 3.63Å; R595-F649 HydrophobicContact CB-CE1 3.97Å; R595-F649 HydrophobicContact CB-CG 4.37Å; R595-F649 HydrophobicContact CG-CB 3.93Å; R595-F649 HydrophobicContact CG-CD1 3.69Å; R595-F649 HydrophobicContact CG-CE1 4.47Å; R595-F649 HydrophobicContact CG-CG 3.98Å; R595-D654 WeakPolarHBondContact CA-OD1 3.5Å; R595-D654 PolarHBondContact N-OD1 3.2Å; R595-M657 WeakPolarHBondContact O-CE 3.36Å; R595-M657 VanDerWaalsContact O-SD 3.33Å
596	D	87.5	Confident	92.1	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	15%	0.148	C	C	.	.			trans	-148.2	61.4	175.6	-163.7	23.4	0	0	0	112.2	H594 A598 R600 N601 L617 P635	H594-D596 PolarHBondContact O-N 3.15Å; H594-D596 VanDerWaalsContact O-N 3.09Å; D596-A598 PolarHBondContact O-N 3.36Å; D596-R600 IonicContact OD1-CZ 3.83Å; D596-R600 IonicContact OD1-NH2 3.56Å; D596-R600 PolarHBondContact OD1-NH2 3.26Å; D596-R600 IonicContact OD2-CZ 2.72Å; D596-R600 IonicContact OD2-NE 2.66Å; D596-R600 IonicContact OD2-NH2 2.6Å; D596-R600 PolarHBondContact OD2-NH2 3.36Å; D596-N601 VanDerWaalsContact CG-ND2 3.29Å; D596-N601 PolarHBondContact O-ND2 3.15Å; D596-N601 PolarHBondContact OD2-ND2 3.22Å; D596-L617 HydrophobicContact CB-CD1 4.09Å; D596-P635 WeakPolarHBondContact OD1-CG 3.37Å
597	I	95.6	Very high	91.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.			trans	-82.2	109.3	177.8	-58.7	159.4	0	0	0	108.6	L584 H594 D654 M657 F658 C661 F719	L584-I597 HydrophobicContact CD1-CD1 4.08Å; L584-I597 HydrophobicContact CD1-CG2 4.19Å; L584-I597 HydrophobicContact CD2-CD1 3.43Å; L584-I597 VanDerWaalsContact CD2-CD1 3.43Å; L584-I597 HydrophobicContact CD2-CG1 3.98Å; L584-I597 HydrophobicContact CG-CD1 4.42Å; H594-I597 HydrophobicContact CB-CD1 4.17Å; H594-I597 HydrophobicContact CB-CG1 3.86Å; I597-D654 HydrophobicContact CD1-CB 3.52Å; I597-D654 WeakPolarHBondContact CD1-O 3.49Å; I597-M657 HydrophobicContact CB-CB 3.88Å; I597-F658 HydrophobicContact CG2-CB 4.27Å; I597-C661 HydrophobicContact CG2-CB 4.09Å; I597-F719 HydrophobicContact CD1-CZ 4.41Å
598	A	94	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-154.6	157	-178.6	0	0	0	0	0	110.3	D596 R600 N601 W638	D596-A598 PolarHBondContact O-N 3.36Å; A598-R600 HydrophobicContact CB-CG 3.92Å; A598-R600 VanDerWaalsContact CB-NH1 3.27Å; A598-R600 PolarHBondContact O-N 3.36Å; A598-N601 PolarHBondContact O-N 2.97Å; A598-W638 HydrophobicContact CB-CG 4.23Å
599	A	94.8	Very high	92	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-7.4	-176.8	0	0	0	0	0	114.7	R558 E664	R558-A599 HydrophobicContact CB-CB 3.85Å; R558-A599 VanDerWaalsContact CB-O 3.24Å; R558-A599 WeakPolarHBondContact CB-O 3.48Å; R558-A599 PolarHBondContact N-O 2.91Å; A599-E664 HydrophobicContact CB-CB 3.94Å; A599-E664 PolarHBondContact N-OE2 3.05Å
600	R	90.7	Very high	92.3	Very high	73 Å²	73	31.3 Å²	31.3	28%	0.275	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-22.5	172.4	58.8	161.6	-165.6	-71.4	2.8	114.7	E556 D596 A598 V602	E556-R600 HydrophobicContact CG-CB 4.45Å; E556-R600 WeakPolarHBondContact OE1-CA 3.22Å; E556-R600 WeakPolarHBondContact OE1-CB 3.24Å; D596-R600 IonicContact OD1-CZ 3.83Å; D596-R600 IonicContact OD1-NH2 3.56Å; D596-R600 PolarHBondContact OD1-NH2 3.26Å; D596-R600 IonicContact OD2-CZ 2.72Å; D596-R600 IonicContact OD2-NE 2.66Å; D596-R600 IonicContact OD2-NH2 2.6Å; D596-R600 PolarHBondContact OD2-NH2 3.36Å; A598-R600 HydrophobicContact CB-CG 3.92Å; A598-R600 VanDerWaalsContact CB-NH1 3.27Å; A598-R600 PolarHBondContact O-N 3.36Å; R600-V602 VanDerWaalsContact C-N 3.34Å
601	N	91.9	Very high	92.7	Very high	16 Å²	16	27.8 Å²	27.8	9%	0.086	14%	0.144	C	C	.	.	S	Bend	trans	-102.5	16.7	178.9	-59.5	-3.5	0	0	0	110.5	D596 A598 G613 D614	D596-N601 VanDerWaalsContact CG-ND2 3.29Å; D596-N601 PolarHBondContact O-ND2 3.15Å; D596-N601 PolarHBondContact OD2-ND2 3.22Å; A598-N601 PolarHBondContact O-N 2.97Å; N601-G613 CarbonylContact O-C 3.56Å; N601-G613 PolarHBondContact O-N 3.05Å; N601-G613 VanDerWaalsContact O-O 3.12Å; N601-D614 HydrophobicContact CB-CB 4.42Å
602	V	96.4	Very high	93.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.5	174.9	177.5	0	0	0	0	107.5	L557 L580 R600 V610 M611 L612	L557-V602 HydrophobicContact CB-CB 4.06Å; L557-V602 HydrophobicContact CB-CG1 3.95Å; L557-V602 WeakPolarHBondContact CB-O 3.44Å; L557-V602 HydrophobicContact CD2-CB 4Å; L557-V602 HydrophobicContact CD2-CG1 3.53Å; L557-V602 HydrophobicContact CG-CG1 4.37Å; L557-V602 PolarHBondContact N-O 2.85Å; L580-V602 HydrophobicContact CD1-CG1 4.23Å; L580-V602 HydrophobicContact CD1-CG2 3.95Å; L580-V602 HydrophobicContact CD2-CB 4.42Å; L580-V602 HydrophobicContact CD2-CG1 3.83Å; L580-V602 HydrophobicContact CD2-CG2 3.66Å; L580-V602 HydrophobicContact CG-CG1 4.46Å; L580-V602 HydrophobicContact CG-CG2 4.47Å; R600-V602 VanDerWaalsContact C-N 3.34Å; V602-V610 HydrophobicContact CG1-CB 3.82Å; V602-V610 HydrophobicContact CG1-CG1 4.37Å; V602-V610 HydrophobicContact CG1-CG2 4.31Å; V602-M611 WeakPolarHBondContact CA-O 3.48Å; V602-L612 HydrophobicContact CG2-CD1 4.06Å
603	L	95.8	Very high	93.4	Very high	55 Å²	55	22.5 Å²	22.5	29%	0.288	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.9	-180	-56.8	-177.5	0	0	0	110.9	V534 C552 G555 V610 M611	V534-L603 HydrophobicContact CG2-CD1 4.13Å; C552-L603 HydrophobicContact CB-CB 3.5Å; C552-L603 HydrophobicContact CB-CD1 4.05Å; C552-L603 HydrophobicContact CB-CG 4.4Å; G555-L603 CarbonylContact O-C 3.56Å; G555-L603 WeakPolarHBondContact O-CA 3.48Å; L603-V610 CarbonylContact O-C 3.6Å; L603-V610 VanDerWaalsContact O-CA 3.3Å; L603-V610 WeakPolarHBondContact O-CA 3.36Å; L603-M611 PolarHBondContact N-O 3.08Å; L603-M611 PolarHBondContact O-N 3Å
604	V	96.6	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.6	-179.2	-169.9	0	0	0	0	108.6	C552 L554 G555 L557 F560 S606 V610	C552-V604 CarbonylContact C-O 3.57Å; C552-V604 VanDerWaalsContact C-O 3.29Å; C552-V604 WeakPolarHBondContact CB-O 3.15Å; L554-V604 WeakPolarHBondContact CA-O 3.43Å; L554-V604 HydrophobicContact CB-CB 3.78Å; L554-V604 HydrophobicContact CB-CG1 3.77Å; L554-V604 WeakPolarHBondContact CB-O 3.21Å; L554-V604 HydrophobicContact CD1-CG1 3.97Å; L554-V604 HydrophobicContact CG-CG1 4.48Å; L554-V604 PolarHBondContact N-O 3.42Å; G555-V604 PolarHBondContact O-N 2.98Å; L557-V604 VanDerWaalsContact CA-CG2 3.5Å; L557-V604 HydrophobicContact CB-CG2 3.79Å; L557-V604 HydrophobicContact CD1-CG2 3.76Å; L557-V604 HydrophobicContact CG-CG2 4.38Å; F560-V604 HydrophobicContact CB-CG2 3.94Å; F560-V604 HydrophobicContact CD1-CG1 4.4Å; F560-V604 HydrophobicContact CD1-CG2 4.12Å; F560-V604 HydrophobicContact CD2-CG1 4.29Å; F560-V604 HydrophobicContact CE1-CG1 4.35Å; F560-V604 HydrophobicContact CE2-CG1 4.25Å; F560-V604 HydrophobicContact CG-CG1 4.37Å; F560-V604 HydrophobicContact CG-CG2 3.98Å; F560-V604 HydrophobicContact CZ-CG1 4.28Å; V604-S606 WeakPolarHBondContact CG1-O 3.19Å; V604-V610 HydrophobicContact CG2-CG1 4.26Å
605	S	93.9	Very high	92.3	Very high	33 Å²	33	25.7 Å²	25.7	23%	0.231	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-48.3	-177.8	-165.2	0	0	0	0	111.1	T553 C609	T553-S605 PolarHBondContact OG1-O 3.36Å; S605-C609 PolarHBondContact N-O 2.92Å
606	S	94.6	Very high	91.2	Very high	43 Å²	43	25.8 Å²	25.8	30%	0.301	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	171.5	170.4	63	0	0	0	0	109.8	V604 D608 C609	V604-S606 WeakPolarHBondContact CG1-O 3.19Å; S606-D608 WeakPolarHBondContact CB-OD1 3.44Å; S606-D608 PolarHBondContact O-N 3.42Å; S606-D608 PolarHBondContact OG-OD1 3.13Å; S606-C609 PolarHBondContact N-O 2.94Å; S606-C609 PolarHBondContact O-N 3.07Å; S606-C609 VanDerWaalsContact O-N 3.13Å; S606-C609 WeakPolarHBondContact OG-CB 3.46Å; S606-C609 PolarHBondContact OG-N 3.45Å
607	V	92.3	Very high	89.7	Confident	93 Å²	93	29.1 Å²	29.1	56%	0.564	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.1	-177.2	-65.5	0	0	0	0	114.1	L554 F576	L554-V607 HydrophobicContact CD1-CG1 4Å; F576-V607 WeakPolarHBondContact CZ-O 3.43Å
608	D	93.6	Very high	87.9	Confident	90 Å²	90	29.1 Å²	29.1	48%	0.481	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	4.6	-176.3	63.4	-35.6	0	0	0	113.4	L575 Q579 S606	L575-D608 HydrophobicContact CD2-CB 4.32Å; L575-D608 WeakPolarHBondContact CD2-O 3.2Å; Q579-D608 PolarHBondContact NE2-O 2.68Å; Q579-D608 PolarHBondContact OE1-O 3.1Å; S606-D608 WeakPolarHBondContact CB-OD1 3.44Å; S606-D608 PolarHBondContact O-N 3.42Å; S606-D608 PolarHBondContact OG-OD1 3.13Å
609	C	96.7	Very high	86.2	Confident	23 Å²	23	33 Å²	33	16%	0.155	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.3	-177.9	-170.9	0	0	0	0	113.2	S605 S606	S605-C609 PolarHBondContact N-O 2.92Å; S606-C609 PolarHBondContact N-O 2.94Å; S606-C609 PolarHBondContact O-N 3.07Å; S606-C609 VanDerWaalsContact O-N 3.13Å; S606-C609 WeakPolarHBondContact OG-CB 3.46Å; S606-C609 PolarHBondContact OG-N 3.45Å
610	V	98.1	Very high	83.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152.6	169.6	-62.3	0	0	0	0	112.4	H532 L557 F576 Q579 L580 V602 L603 V604	H532-V610 PolarHBondContact ND1-O 2.61Å; L557-V610 HydrophobicContact CD1-CG1 3.98Å; L557-V610 HydrophobicContact CD2-CG1 4.14Å; F576-V610 HydrophobicContact CB-CG1 4.2Å; F576-V610 HydrophobicContact CB-CG2 3.94Å; F576-V610 HydrophobicContact CD1-CB 4.42Å; F576-V610 HydrophobicContact CD1-CG1 3.52Å; F576-V610 HydrophobicContact CD1-CG2 4.14Å; F576-V610 HydrophobicContact CD2-CG1 4.2Å; F576-V610 HydrophobicContact CE1-CG1 3.83Å; F576-V610 HydrophobicContact CE2-CG1 4.46Å; F576-V610 HydrophobicContact CG-CG1 3.72Å; F576-V610 HydrophobicContact CG-CG2 4.27Å; F576-V610 HydrophobicContact CZ-CG1 4.29Å; Q579-V610 HydrophobicContact CB-CG2 3.99Å; L580-V610 HydrophobicContact CD2-CG2 4.38Å; L580-V610 HydrophobicContact CG-CG2 4.05Å; V602-V610 HydrophobicContact CG1-CB 3.82Å; V602-V610 HydrophobicContact CG1-CG1 4.37Å; V602-V610 HydrophobicContact CG1-CG2 4.31Å; L603-V610 CarbonylContact O-C 3.6Å; L603-V610 VanDerWaalsContact O-CA 3.3Å; L603-V610 WeakPolarHBondContact O-CA 3.36Å; V604-V610 HydrophobicContact CG2-CG1 4.26Å
611	M	97.5	Very high	81.9	Confident	16 Å²	16	36 Å²	36	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.1	-178.9	-70.7	163.2	155.2	0	0	110.3	V534 E550 C552 V602 L603	V534-M611 HydrophobicContact CG2-CB 3.83Å; E550-M611 WeakPolarHBondContact OE1-CE 3.33Å; C552-M611 VanDerWaalsContact SG-SD 3.65Å; V602-M611 WeakPolarHBondContact CA-O 3.48Å; L603-M611 PolarHBondContact N-O 3.08Å; L603-M611 PolarHBondContact O-N 3Å
612	L	96.1	Very high	79.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135	178.5	-175.4	60.6	0	0	0	110.8	H532 V534 L580 A583 L584 L587 H594 V602	H532-L612 PolarHBondContact O-N 3.23Å; V534-L612 WeakPolarHBondContact CG2-O 3.37Å; V534-L612 PolarHBondContact N-O 2.89Å; L580-L612 HydrophobicContact CD2-CB 4.12Å; L580-L612 HydrophobicContact CD2-CD1 4.3Å; A583-L612 HydrophobicContact CB-CB 4.33Å; A583-L612 HydrophobicContact CB-CD2 4.17Å; L584-L612 HydrophobicContact CD2-CD2 3.57Å; L584-L612 HydrophobicContact CG-CD2 3.99Å; L587-L612 HydrophobicContact CD1-CD2 4.03Å; H594-L612 WeakPolarHBondContact NE2-CD1 3.45Å; H594-L612 WeakPolarHBondContact NE2-CG 3.32Å; V602-L612 HydrophobicContact CG2-CD1 4.06Å
613	G	88.9	Confident	76.7	Confident	4 Å²	4	46 Å²	46	4%	0.041	24%	0.244	C	C	.	.			trans	-151.5	-169.7	-177	0	0	0	0	0	114.6	H594 N601	H594-G613 PolarHBondContact CE1-O 3.15Å; H594-G613 VanDerWaalsContact CE1-O 3.27Å; H594-G613 PolarHBondContact NE2-O 3.04Å; N601-G613 CarbonylContact O-C 3.56Å; N601-G613 PolarHBondContact O-N 3.05Å; N601-G613 VanDerWaalsContact O-O 3.12Å
614	D	79.1	Confident	73.9	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.364	26%	0.258	S	S	.	.			trans	56.2	78.8	-167.4	-163.7	30.6	0	0	0	114.1	K504 H594 N601 G616	K504-D614 IonicContact NZ-OD1 3.02Å; K504-D614 PolarHBondContact NZ-OD1 3.3Å; H594-D614 PolarHBondContact CE1-O 3.09Å; N601-D614 HydrophobicContact CB-CB 4.42Å; D614-G616 VanDerWaalsContact C-N 3.34Å
615	F	76.8	Confident	71.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.			trans	-87.2	2.7	-177.9	-72.2	-77.3	0	0	0	113.9	E521 T524 M525 F528 I533 L587 F592 H594 L617 S618	E521-F615 HydrophobicContact CG-CB 4.1Å; T524-F615 HydrophobicContact CG2-CB 3.98Å; T524-F615 HydrophobicContact CG2-CD1 4.38Å; T524-F615 HydrophobicContact CG2-CG 4.32Å; M525-F615 HydrophobicContact CE-CD2 4.39Å; M525-F615 HydrophobicContact CG-CB 4.21Å; M525-F615 HydrophobicContact CG-CD2 3.55Å; M525-F615 HydrophobicContact CG-CE2 4.29Å; M525-F615 HydrophobicContact CG-CG 4.12Å; M525-F615 HydrophobicContact SD-CD2 4.06Å; F528-F615 HydrophobicContact CD2-CE1 4.09Å; F528-F615 HydrophobicContact CD2-CE2 4.47Å; F528-F615 HydrophobicContact CD2-CZ 4.05Å; F528-F615 AromaticContact CE2-CD1 3.9Å; F528-F615 HydrophobicContact CE2-CD1 3.9Å; F528-F615 AromaticContact CE2-CE1 3.72Å; F528-F615 HydrophobicContact CE2-CE1 3.72Å; F528-F615 HydrophobicContact CE2-CG 4.47Å; F528-F615 HydrophobicContact CE2-CZ 4.16Å; I533-F615 HydrophobicContact CG2-CE2 3.8Å; I533-F615 HydrophobicContact CG2-CZ 3.67Å; L587-F615 HydrophobicContact CD1-CE1 3.97Å; L587-F615 HydrophobicContact CD2-CE1 4.35Å; F592-F615 HydrophobicContact CE1-CD1 4.07Å; H594-F615 AromaticContact CD2-CE1 3.96Å; F615-L617 VanDerWaalsContact C-N 3.26Å; F615-L617 PolarHBondContact O-N 2.9Å; F615-L617 VanDerWaalsContact O-N 3.12Å; F615-S618 WeakPolarHBondContact O-CB 3.41Å; F615-S618 PolarHBondContact O-N 3.29Å; F615-S618 PolarHBondContact O-OG 3.45Å
616	G	63.4	Low	68.8	Low	15 Å²	15	51.4 Å²	51.4	16%	0.155	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.6	-171.9	0	0	0	0	0	115	D614 R619	D614-G616 VanDerWaalsContact C-N 3.34Å; G616-R619 PolarHBondContact O-NH1 3.08Å
617	L	57.8	Low	66.3	Low	83 Å²	83	53.8 Å²	53.8	44%	0.435	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-14.6	176.9	-63.6	179.3	0	0	0	114.2	R595 D596 F615	R595-L617 WeakPolarHBondContact CD-O 3.14Å; R595-L617 PolarHBondContact NH1-O 3.49Å; D596-L617 HydrophobicContact CB-CD1 4.09Å; F615-L617 VanDerWaalsContact C-N 3.26Å; F615-L617 PolarHBondContact O-N 2.9Å; F615-L617 VanDerWaalsContact O-N 3.12Å
618	S	56.5	Low	63.9	Low	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.			trans	-84	147.6	-168.2	-43.4	0	0	0	0	111.7	V593 H594 F615	V593-S618 VanDerWaalsContact O-CA 3.25Å; V593-S618 WeakPolarHBondContact O-CA 3.47Å; V593-S618 WeakPolarHBondContact O-CB 3.49Å; H594-S618 WeakPolarHBondContact CA-OG 3.33Å; H594-S618 PolarHBondContact O-OG 2.84Å; F615-S618 WeakPolarHBondContact O-CB 3.41Å; F615-S618 PolarHBondContact O-N 3.29Å; F615-S618 PolarHBondContact O-OG 3.45Å
619	R	58.1	Low	61.3	Low	81 Å²	81	49.8 Å²	49.8	31%	0.306	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.8	176.4	-55.7	-72.6	-178	-87.7	7.2	111.7	F592 V593 G616	F592-R619 VanDerWaalsContact CD2-C 3.48Å; V593-R619 PolarHBondContact N-O 2.89Å; V593-R619 PolarHBondContact O-N 3.1Å; V593-R619 VanDerWaalsContact O-N 3.15Å; G616-R619 PolarHBondContact O-NH1 3.08Å
620	Y	45.4	Very low	58.8	Low	103 Å²	103	51.4 Å²	51.4	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	156.4	169.6	-176	-112.2	0	0	0	111.5	R591 E622	R591-Y620 HydrophobicContact CB-CD2 4.31Å; R591-Y620 HydrophobicContact CB-CE2 3.85Å; Y620-E622 HydrophobicContact CD1-CG 4.16Å; Y620-E622 HydrophobicContact CE1-CG 4.07Å
621	M	49.4	Very low	56	Low	32 Å²	32	58.1 Å²	58.1	16%	0.158	30%	0.296	C	S	.	.			trans	-113	119.2	166.5	-63.8	-173.4	-68.4	0	0	110	R591 V593	R591-M621 PolarHBondContact O-N 2.69Å; V593-M621 HydrophobicContact CG2-CE 3.51Å; V593-M621 HydrophobicContact CG2-CG 3.72Å; V593-M621 HydrophobicContact CG2-SD 3.43Å; V593-M621 WeakPolarHBondContact CG2-SD 3.38Å
622	E	41.5	Very low	53.6	Low	90 Å²	90	59.5 Å²	59.5	42%	0.421	31%	0.314	S	S	.	.			trans	-70.2	-178.1	158	-55.2	-157.5	96.1	0	0	109.8	T451 Y620 S624	T451-E622 VanDerWaalsContact CB-OE2 3.29Å; T451-E622 WeakPolarHBondContact CB-OE2 3.33Å; T451-E622 WeakPolarHBondContact CG2-OE1 3.43Å; T451-E622 PolarHBondContact OG1-OE2 2.8Å; Y620-E622 HydrophobicContact CD1-CG 4.16Å; Y620-E622 HydrophobicContact CE1-CG 4.07Å; E622-S624 PolarHBondContact O-N 3.45Å
623	D	39.3	Very low	51.4	Low	138 Å²	138	69.8 Å²	69.8	74%	0.738	36%	0.359	S	S	*	.	S	Bend	trans	-70.5	0.9	-175.1	-66.8	-64.1	0	0	0	114.5	R591	R591-D623 IonicContact CZ-OD1 2.69Å; R591-D623 IonicContact NH1-OD1 3.87Å; R591-D623 PolarHBondContact NH1-OD1 2.99Å; R591-D623 IonicContact NH1-OD2 3.67Å; R591-D623 IonicContact NH2-OD1 2.74Å; R591-D623 PolarHBondContact NH2-OD1 2.75Å
624	S	37.2	Very low	50.2	Low	83 Å²	83	71.6 Å²	71.6	58%	0.58	37%	0.367	S	S	*	.	S	Bend	trans	-73.7	123.8	163.2	56.2	0	0	0	0	110.6	E622 Y626	E622-S624 PolarHBondContact O-N 3.45Å; S624-Y626 PolarHBondContact O-N 3.13Å
625	S	42.4	Very low	50.1	Low	59 Å²	59	69.4 Å²	69.4	41%	0.413	36%	0.357	S	S	.	.	S	Bend	trans	-72.1	2.9	-156.7	75.7	0	0	0	0	116.7	D233 R648 T650	D233-S625 PolarHBondContact OD1-OG 3.33Å; D233-S625 VanDerWaalsContact OD1-OG 3.06Å; S625-R648 PolarHBondContact O-NH2 2.69Å; S625-R648 PolarHBondContact OG-NH2 3.19Å; S625-T650 VanDerWaalsContact O-CG2 3.26Å; S625-T650 WeakPolarHBondContact O-CG2 3.46Å
626	Y	39.3	Very low	50.2	Low	59 Å²	59	70.8 Å²	70.8	23%	0.231	36%	0.364	C	S	.	.			trans	-170.8	168.2	-179.9	66.7	-69.6	0	0	0	115.5	D233 S624 R648	D233-Y626 HydrophobicContact CB-CD1 4.48Å; D233-Y626 HydrophobicContact CB-CE1 3.81Å; D233-Y626 WeakPolarHBondContact O-CE1 3.42Å; D233-Y626 PolarHBondContact O-OH 2.94Å; S624-Y626 PolarHBondContact O-N 3.13Å; Y626-R648 VanDerWaalsContact CD1-CZ 3.49Å; Y626-R648 VanDerWaalsContact CD1-NH1 3.34Å; Y626-R648 HydrophobicContact CD2-CB 4Å; Y626-R648 HydrophobicContact CD2-CG 3.85Å; Y626-R648 HydrophobicContact CG-CG 3.98Å
627	Y	41.8	Very low	51.2	Low	92 Å²	92	71.6 Å²	71.6	36%	0.361	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154.6	171.2	170.7	-99.3	0	0	0	113.1	R595 A629 R647 R648 F649	R595-Y627 VanDerWaalsContact NH1-CE1 3.31Å; R595-Y627 VanDerWaalsContact NH2-CD1 3.33Å; Y627-A629 HydrophobicContact CD1-CB 4.43Å; Y627-A629 VanDerWaalsContact CE1-CA 3.5Å; Y627-A629 HydrophobicContact CE1-CB 3.75Å; Y627-R647 VanDerWaalsContact O-O 3.08Å; Y627-R648 WeakPolarHBondContact O-CA 3.49Å; Y627-F649 HydrophobicContact CD1-CD2 4.2Å; Y627-F649 PolarHBondContact N-O 2.81Å; Y627-F649 PolarHBondContact O-N 3.25Å; Y627-F649 VanDerWaalsContact O-N 3.13Å
628	K	43.5	Very low	52.9	Low	79 Å²	79	69 Å²	69	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.9	174.9	-169	-170.1	179.6	-173.3	0	111.5	R647	K628-R647 WeakPolarHBondContact CA-O 3.32Å; K628-R647 HydrophobicContact CG-CB 3.9Å
629	A	38.6	Very low	54.3	Low	21 Å²	21	69.1 Å²	69.1	17%	0.174	35%	0.348	C	S	.	.			trans	-86.2	146.4	-176.3	0	0	0	0	0	115.6	Y627 R647 F649	Y627-A629 HydrophobicContact CD1-CB 4.43Å; Y627-A629 VanDerWaalsContact CE1-CA 3.5Å; Y627-A629 HydrophobicContact CE1-CB 3.75Å; A629-R647 PolarHBondContact N-O 3.46Å; A629-R647 PolarHBondContact O-NH1 3.23Å; A629-F649 HydrophobicContact CB-CD2 4.17Å; A629-F649 HydrophobicContact CB-CE2 3.46Å; A629-F649 VanDerWaalsContact CB-CE2 3.46Å; A629-F649 HydrophobicContact CB-CZ 4.15Å
630	S	43.9	Very low	55.9	Low	56 Å²	56	65.2 Å²	65.2	39%	0.392	33%	0.333	S	S	.	.			trans	-73.4	-176.4	-176	68.1	0	0	0	0	115.3	N78 G632 R647	N78-S630 WeakPolarHBondContact OD1-CB 3.48Å; S630-G632 PolarHBondContact O-N 3.13Å; S630-R647 PolarHBondContact O-NH1 2.99Å
631	K	40.4	Very low	57.9	Low	142 Å²	142	60.3 Å²	60.3	62%	0.617	31%	0.314	S	S	*	.	S	Bend	trans	-77.6	32.8	-166.3	-63.5	171.6	-178.8	167.8	0	115.1	E76	E76-K631 WeakPolarHBondContact OE2-CE 3.41Å; E76-K631 IonicContact OE2-NZ 3.86Å; E76-K631 PolarHBondContact OE2-NZ 3.22Å
632	G	45.1	Very low	59.5	Low	45 Å²	45	59.3 Å²	59.3	46%	0.464	31%	0.309	S	S	.	.	S	Bend	trans	-81.9	171.1	178.8	0	0	0	0	0	115.8	S630 L634	S630-G632 PolarHBondContact O-N 3.13Å; G632-L634 PolarHBondContact O-N 3.02Å
633	K	51.1	Low	61.4	Low	216 Å²	216	55 Å²	55	94%	0.939	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-70	120.6	169.4	-76.9	-178.3	179	174.5	0	109.4
634	L	63.8	Low	63.1	Low	42 Å²	42	49 Å²	49	22%	0.22	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-102.7	148.5	-174.7	-75.2	178.9	0	0	0	113.9	G632 I636 M639	G632-L634 PolarHBondContact O-N 3.02Å; L634-I636 HydrophobicContact CB-CD1 3.71Å; L634-I636 HydrophobicContact CB-CG1 4.23Å; L634-I636 HydrophobicContact CD1-CD1 4.23Å; L634-I636 PolarHBondContact O-N 3.09Å; L634-M639 HydrophobicContact CB-SD 3.74Å; L634-M639 HydrophobicContact CD1-CE 3.95Å; L634-M639 HydrophobicContact CD1-SD 4.01Å; L634-M639 HydrophobicContact CD2-CE 4.42Å; L634-M639 HydrophobicContact CD2-SD 4.12Å; L634-M639 HydrophobicContact CG-SD 4.18Å
635	P	77.2	Confident	64.5	Low	22 Å²	22	45.3 Å²	45.3	14%	0.143	23%	0.23	C	C	.	.			trans	-79.7	57.6	175.6	34.9	-36.1	0	0	0	111.9	D596 K637 W638 M639	D596-P635 WeakPolarHBondContact OD1-CG 3.37Å; P635-K637 PolarHBondContact O-N 3.31Å; P635-W638 HydrophobicContact CB-CE3 3.96Å; P635-W638 PolarHBondContact O-N 3.08Å; P635-M639 HydrophobicContact CG-CG 4.1Å; P635-M639 HydrophobicContact CG-SD 4.26Å; P635-M639 WeakPolarHBondContact O-CG 3.41Å; P635-M639 PolarHBondContact O-N 2.79Å
636	I	77.6	Confident	65.7	Low	29 Å²	29	42.9 Å²	42.9	15%	0.149	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-30.7	-170.9	-59.3	-61.2	0	0	0	114.5	L634 W638 M639 I644 N678	L634-I636 HydrophobicContact CB-CD1 3.71Å; L634-I636 HydrophobicContact CB-CG1 4.23Å; L634-I636 HydrophobicContact CD1-CD1 4.23Å; L634-I636 PolarHBondContact O-N 3.09Å; I636-W638 VanDerWaalsContact C-N 3.34Å; I636-W638 PolarHBondContact O-N 3.12Å; I636-M639 HydrophobicContact CD1-SD 4.15Å; I636-I644 HydrophobicContact CD1-CG1 4.39Å; I636-I644 HydrophobicContact CG2-CD1 4.13Å; I636-I644 HydrophobicContact CG2-CG1 4.43Å; I636-N678 HydrophobicContact CB-CB 4.09Å; I636-N678 HydrophobicContact CG1-CB 4.31Å; I636-N678 HydrophobicContact CG2-CB 4.12Å
637	K	86.1	Confident	67.2	Low	32 Å²	32	42.5 Å²	42.5	14%	0.139	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.2	-178.5	-52.9	-160.1	171.3	-169.1	0	115.2	P635 P672 F673 V676 N678 V681	P635-K637 PolarHBondContact O-N 3.31Å; K637-P672 HydrophobicContact CB-CG 4.1Å; K637-P672 VanDerWaalsContact CD-O 3.25Å; K637-P672 WeakPolarHBondContact CD-O 3.37Å; K637-F673 HydrophobicContact CB-CD2 4.34Å; K637-F673 HydrophobicContact CD-CB 4.29Å; K637-F673 PolarHBondContact NZ-O 3Å; K637-V676 WeakPolarHBondContact CE-O 3.45Å; K637-V676 PolarHBondContact NZ-O 3.37Å; K637-N678 WeakPolarHBondContact CE-OD1 3.41Å; K637-V681 HydrophobicContact CG-CG2 4.29Å
638	W	92.7	Very high	68.7	Low	29 Å²	29	39.4 Å²	39.4	11%	0.11	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-28.3	176.1	-67.9	-101.7	0	0	0	112	A598 P635 I636 W656 M657 V660 E664 P672	A598-W638 HydrophobicContact CB-CG 4.23Å; P635-W638 HydrophobicContact CB-CE3 3.96Å; P635-W638 PolarHBondContact O-N 3.08Å; I636-W638 VanDerWaalsContact C-N 3.34Å; I636-W638 PolarHBondContact O-N 3.12Å; W638-W656 VanDerWaalsContact O-CD1 3.23Å; W638-W656 PolarHBondContact O-NE1 3.34Å; W638-M657 WeakPolarHBondContact O-CG 3.43Å; W638-V660 HydrophobicContact CG-CG1 4.2Å; W638-E664 WeakPolarHBondContact CZ2-OE1 3.05Å; W638-E664 PolarHBondContact NE1-OE1 2.85Å; W638-E664 PolarHBondContact NE1-OE2 3.25Å; W638-P672 HydrophobicContact CD2-CG 3.95Å; W638-P672 HydrophobicContact CE3-CG 4.46Å; W638-P672 HydrophobicContact CG-CG 4.39Å; W638-P672 HydrophobicContact CH2-CG 4.33Å; W638-P672 HydrophobicContact CZ2-CG 3.82Å
639	M	86.9	Confident	70.4	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-66.9	150.6	-171.7	-69.8	177.9	64.2	0	0	114.5	L634 P635 I636 S643 I644 F649 W656 M657	L634-M639 HydrophobicContact CB-SD 3.74Å; L634-M639 HydrophobicContact CD1-CE 3.95Å; L634-M639 HydrophobicContact CD1-SD 4.01Å; L634-M639 HydrophobicContact CD2-CE 4.42Å; L634-M639 HydrophobicContact CD2-SD 4.12Å; L634-M639 HydrophobicContact CG-SD 4.18Å; P635-M639 HydrophobicContact CG-CG 4.1Å; P635-M639 HydrophobicContact CG-SD 4.26Å; P635-M639 WeakPolarHBondContact O-CG 3.41Å; P635-M639 PolarHBondContact O-N 2.79Å; I636-M639 HydrophobicContact CD1-SD 4.15Å; M639-S643 VanDerWaalsContact CE-C 3.45Å; M639-S643 VanDerWaalsContact CE-CB 3.44Å; M639-S643 WeakPolarHBondContact CE-O 3.3Å; M639-I644 HydrophobicContact CB-CD1 4.16Å; M639-I644 HydrophobicContact CB-CG1 3.78Å; M639-I644 HydrophobicContact CE-CG1 4.38Å; M639-F649 HydrophobicContact CE-CE1 3.97Å; M639-F649 HydrophobicContact CE-CE2 4.48Å; M639-F649 HydrophobicContact CE-CZ 3.54Å; M639-W656 PolarHBondContact O-NE1 2.86Å; M639-W656 VanDerWaalsContact O-NE1 3.08Å; M639-M657 HydrophobicContact CG-CE 4.41Å
640	A	91.8	Very high	72.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.			trans	-72.4	154.3	172.9	0	0	0	0	0	112.2	E642 S643 I644 W656	A640-E642 VanDerWaalsContact C-N 3.28Å; A640-E642 VanDerWaalsContact CB-OE1 3.27Å; A640-E642 WeakPolarHBondContact CB-OE1 3.44Å; A640-E642 WeakPolarHBondContact CB-OE2 3.21Å; A640-E642 PolarHBondContact O-N 3.4Å; A640-S643 WeakPolarHBondContact O-CB 3.32Å; A640-S643 PolarHBondContact O-N 3.23Å; A640-I644 WeakPolarHBondContact O-CG1 3.46Å; A640-I644 PolarHBondContact O-N 3.48Å; A640-W656 HydrophobicContact CB-CB 3.8Å; A640-W656 HydrophobicContact CB-CD2 4.14Å; A640-W656 HydrophobicContact CB-CG 3.69Å
641	P	86.1	Confident	75	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.5	-39.6	-178.5	-26.3	35.1	0	0	0	113.9	I644 N645 W656 I682 I685 Y711	P641-I644 PolarHBondContact O-N 2.69Å; P641-N645 WeakPolarHBondContact O-CB 3.32Å; P641-N645 PolarHBondContact O-N 2.78Å; P641-W656 HydrophobicContact CG-CE3 4.49Å; P641-W656 HydrophobicContact CG-CH2 3.91Å; P641-W656 HydrophobicContact CG-CZ2 4.29Å; P641-W656 HydrophobicContact CG-CZ3 3.99Å; P641-I682 HydrophobicContact CB-CD1 4.12Å; P641-I685 HydrophobicContact CG-CG2 3.71Å; P641-Y711 HydrophobicContact CB-CD2 4.12Å; P641-Y711 HydrophobicContact CB-CE2 3.61Å; P641-Y711 HydrophobicContact CG-CD2 3.9Å; P641-Y711 HydrophobicContact CG-CE2 3.91Å
642	E	83.5	Confident	77.7	Confident	10 Å²	10	28.5 Å²	28.5	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-71.8	-29.8	178.7	70.7	-75.2	-179	0	0	113.1	A640 I644 F646 R647 R648 P713 R716	A640-E642 VanDerWaalsContact C-N 3.28Å; A640-E642 VanDerWaalsContact CB-OE1 3.27Å; A640-E642 WeakPolarHBondContact CB-OE1 3.44Å; A640-E642 WeakPolarHBondContact CB-OE2 3.21Å; A640-E642 PolarHBondContact O-N 3.4Å; E642-I644 VanDerWaalsContact C-N 3.35Å; E642-F646 HydrophobicContact CB-CD2 4.18Å; E642-F646 CarbonylContact O-C 3.53Å; E642-F646 WeakPolarHBondContact O-CA 3.42Å; E642-F646 WeakPolarHBondContact O-CB 3.42Å; E642-F646 PolarHBondContact O-N 3.2Å; E642-R647 PolarHBondContact O-N 2.91Å; E642-R648 HydrophobicContact CG-CB 4.37Å; E642-R648 HydrophobicContact CG-CG 4.32Å; E642-R648 PolarHBondContact O-N 3.41Å; E642-P713 HydrophobicContact CG-CG 4.12Å; E642-R716 IonicContact OE1-CZ 2.77Å; E642-R716 IonicContact OE1-NH1 3.57Å; E642-R716 PolarHBondContact OE1-NH1 3.13Å; E642-R716 IonicContact OE1-NH2 3.55Å; E642-R716 PolarHBondContact OE1-NH2 3.36Å; E642-R716 IonicContact OE2-CZ 3.47Å; E642-R716 IonicContact OE2-NH1 3.49Å; E642-R716 IonicContact OE2-NH2 2.69Å; E642-R716 PolarHBondContact OE2-NH2 2.96Å
643	S	81.9	Confident	80	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.5	-30.3	173.2	-44.7	0	0	0	0	111.9	M639 A640 R647 R648 S653	M639-S643 VanDerWaalsContact CE-C 3.45Å; M639-S643 VanDerWaalsContact CE-CB 3.44Å; M639-S643 WeakPolarHBondContact CE-O 3.3Å; A640-S643 WeakPolarHBondContact O-CB 3.32Å; A640-S643 PolarHBondContact O-N 3.23Å; S643-R647 VanDerWaalsContact O-CA 3.24Å; S643-R647 WeakPolarHBondContact O-CA 3.3Å; S643-R647 PolarHBondContact O-N 2.8Å; S643-R648 WeakPolarHBondContact CA-O 3.4Å; S643-R648 WeakPolarHBondContact CB-O 3.45Å; S643-R648 PolarHBondContact OG-O 2.89Å; S643-S653 VanDerWaalsContact OG-CB 3.26Å; S643-S653 WeakPolarHBondContact OG-CB 3.28Å
644	I	73.3	Confident	82.2	Confident	13 Å²	13	16.3 Å²	16.3	7%	0.067	8%	0.083	C	C	.	.	H	α-helix	trans	-76.2	-57.8	174.5	-62.8	163.8	0	0	0	110.1	I636 M639 A640 P641 E642 I682	I636-I644 HydrophobicContact CD1-CG1 4.39Å; I636-I644 HydrophobicContact CG2-CD1 4.13Å; I636-I644 HydrophobicContact CG2-CG1 4.43Å; M639-I644 HydrophobicContact CB-CD1 4.16Å; M639-I644 HydrophobicContact CB-CG1 3.78Å; M639-I644 HydrophobicContact CE-CG1 4.38Å; A640-I644 WeakPolarHBondContact O-CG1 3.46Å; A640-I644 PolarHBondContact O-N 3.48Å; P641-I644 PolarHBondContact O-N 2.69Å; E642-I644 VanDerWaalsContact C-N 3.35Å; I644-I682 HydrophobicContact CB-CD1 4.28Å; I644-I682 HydrophobicContact CD1-CD1 4.19Å; I644-I682 HydrophobicContact CG2-CB 4.15Å; I644-I682 HydrophobicContact CG2-CD1 4.25Å; I644-I682 HydrophobicContact CG2-CG1 4.13Å
645	N	67.4	Low	83.9	Confident	4 Å²	4	14.3 Å²	14.3	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-71	-38.3	-172.5	-77.8	-24	0	0	0	113.5	P641 E686	P641-N645 WeakPolarHBondContact O-CB 3.32Å; P641-N645 PolarHBondContact O-N 2.78Å; N645-E686 PolarHBondContact ND2-OE1 3.29Å
646	F	68.4	Low	84.9	Confident	9 Å²	9	13.5 Å²	13.5	4%	0.039	7%	0.067	C	C	.	.	S	Bend	trans	-120.7	3.1	-170.6	-48.1	-75.4	0	0	0	113.8	F213 M216 N226 L229 E642 R648	F213-F646 HydrophobicContact CD1-CB 4.46Å; F213-F646 AromaticContact CD1-CD1 3.79Å; F213-F646 HydrophobicContact CD1-CD1 3.79Å; F213-F646 HydrophobicContact CE1-CB 4.02Å; F213-F646 AromaticContact CE1-CD1 3.68Å; F213-F646 HydrophobicContact CE1-CD1 3.68Å; F213-F646 HydrophobicContact CE1-CG 4.35Å; F213-F646 HydrophobicContact CG-CD1 4.31Å; F213-F646 HydrophobicContact CZ-CD1 4.09Å; M216-F646 HydrophobicContact SD-CD1 4.42Å; M216-F646 HydrophobicContact SD-CE1 3.48Å; M216-F646 WeakPolarHBondContact SD-CE1 3.42Å; M216-F646 HydrophobicContact SD-CZ 3.98Å; N226-F646 HydrophobicContact CB-CE2 4.24Å; N226-F646 HydrophobicContact CB-CZ 3.82Å; L229-F646 HydrophobicContact CD2-CB 3.69Å; L229-F646 HydrophobicContact CD2-CD1 3.99Å; L229-F646 HydrophobicContact CD2-CD2 3.22Å; L229-F646 HydrophobicContact CD2-CE1 4.46Å; L229-F646 HydrophobicContact CD2-CE2 3.8Å; L229-F646 HydrophobicContact CD2-CG 3.34Å; L229-F646 HydrophobicContact CD2-CZ 4.39Å; E642-F646 HydrophobicContact CB-CD2 4.18Å; E642-F646 CarbonylContact O-C 3.53Å; E642-F646 WeakPolarHBondContact O-CA 3.42Å; E642-F646 WeakPolarHBondContact O-CB 3.42Å; E642-F646 PolarHBondContact O-N 3.2Å; F646-R648 PolarHBondContact O-N 3.3Å
647	R	69.3	Low	85.8	Confident	50 Å²	50	12.1 Å²	12.1	19%	0.189	6%	0.06	C	C	.	.			trans	57.3	20.1	-173.4	-59.9	-56.2	-166.1	94.5	-13.1	114.7	Y627 K628 A629 S630 E642 S643 F649	Y627-R647 VanDerWaalsContact O-O 3.08Å; K628-R647 WeakPolarHBondContact CA-O 3.32Å; K628-R647 HydrophobicContact CG-CB 3.9Å; A629-R647 PolarHBondContact N-O 3.46Å; A629-R647 PolarHBondContact O-NH1 3.23Å; S630-R647 PolarHBondContact O-NH1 2.99Å; E642-R647 PolarHBondContact O-N 2.91Å; S643-R647 VanDerWaalsContact O-CA 3.24Å; S643-R647 WeakPolarHBondContact O-CA 3.3Å; S643-R647 PolarHBondContact O-N 2.8Å; R647-F649 WeakPolarHBondContact O-CD2 3.26Å; R647-F649 VanDerWaalsContact O-CE2 3.29Å; R647-F649 WeakPolarHBondContact O-CE2 3.4Å
648	R	73.2	Confident	86.4	Confident	27 Å²	27	10.6 Å²	10.6	10%	0.102	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.1	-179.1	170.9	157.2	-167.8	147.4	8.5	112.6	L229 D233 S625 Y626 Y627 E642 S643 F646 T650	L229-R648 VanDerWaalsContact CD1-NH1 3.27Å; D233-R648 IonicContact OD1-CZ 3.05Å; D233-R648 IonicContact OD1-NH1 3.01Å; D233-R648 PolarHBondContact OD1-NH1 2.88Å; D233-R648 IonicContact OD1-NH2 2.66Å; D233-R648 IonicContact OD2-NH1 3.3Å; S625-R648 PolarHBondContact O-NH2 2.69Å; S625-R648 PolarHBondContact OG-NH2 3.19Å; Y626-R648 VanDerWaalsContact CD1-CZ 3.49Å; Y626-R648 VanDerWaalsContact CD1-NH1 3.34Å; Y626-R648 HydrophobicContact CD2-CB 4Å; Y626-R648 HydrophobicContact CD2-CG 3.85Å; Y626-R648 HydrophobicContact CG-CG 3.98Å; Y627-R648 WeakPolarHBondContact O-CA 3.49Å; E642-R648 HydrophobicContact CG-CB 4.37Å; E642-R648 HydrophobicContact CG-CG 4.32Å; E642-R648 PolarHBondContact O-N 3.41Å; S643-R648 WeakPolarHBondContact CA-O 3.4Å; S643-R648 WeakPolarHBondContact CB-O 3.45Å; S643-R648 PolarHBondContact OG-O 2.89Å; F646-R648 PolarHBondContact O-N 3.3Å; R648-T650 HydrophobicContact CG-CG2 4.11Å
649	F	80.1	Confident	86.7	Confident	7 Å²	7	9.2 Å²	9.2	3%	0.031	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.5	171.8	-63	-97.6	0	0	0	111.4	V593 R595 Y627 A629 M639 R647 S653 M657	V593-F649 HydrophobicContact CG1-CB 4.34Å; R595-F649 HydrophobicContact CB-CD1 3.63Å; R595-F649 HydrophobicContact CB-CE1 3.97Å; R595-F649 HydrophobicContact CB-CG 4.37Å; R595-F649 HydrophobicContact CG-CB 3.93Å; R595-F649 HydrophobicContact CG-CD1 3.69Å; R595-F649 HydrophobicContact CG-CE1 4.47Å; R595-F649 HydrophobicContact CG-CG 3.98Å; Y627-F649 HydrophobicContact CD1-CD2 4.2Å; Y627-F649 PolarHBondContact N-O 2.81Å; Y627-F649 PolarHBondContact O-N 3.25Å; Y627-F649 VanDerWaalsContact O-N 3.13Å; A629-F649 HydrophobicContact CB-CD2 4.17Å; A629-F649 HydrophobicContact CB-CE2 3.46Å; A629-F649 VanDerWaalsContact CB-CE2 3.46Å; A629-F649 HydrophobicContact CB-CZ 4.15Å; M639-F649 HydrophobicContact CE-CE1 3.97Å; M639-F649 HydrophobicContact CE-CE2 4.48Å; M639-F649 HydrophobicContact CE-CZ 3.54Å; R647-F649 WeakPolarHBondContact O-CD2 3.26Å; R647-F649 VanDerWaalsContact O-CE2 3.29Å; R647-F649 WeakPolarHBondContact O-CE2 3.4Å; F649-S653 WeakPolarHBondContact CA-OG 3.11Å; F649-M657 HydrophobicContact CD1-CE 3.98Å; F649-M657 HydrophobicContact CE1-CE 3.93Å
650	T	86.8	Confident	87.3	Confident	17 Å²	17	9.3 Å²	9.3	10%	0.104	5%	0.048	C	C	.	.			trans	-153.9	173.6	179.9	66.8	0	0	0	0	110.5	S625 R648 A652 S653 D654	S625-T650 VanDerWaalsContact O-CG2 3.26Å; S625-T650 WeakPolarHBondContact O-CG2 3.46Å; R648-T650 HydrophobicContact CG-CG2 4.11Å; T650-A652 PolarHBondContact O-N 3.15Å; T650-A652 VanDerWaalsContact O-N 3.13Å; T650-A652 PolarHBondContact OG1-N 3.38Å; T650-S653 PolarHBondContact N-OG 3.4Å; T650-S653 PolarHBondContact O-N 3.1Å; T650-S653 PolarHBondContact O-OG 2.87Å; T650-S653 PolarHBondContact OG1-N 3.5Å; T650-D654 PolarHBondContact O-N 3.06Å; T650-D654 VanDerWaalsContact O-N 3.07Å
651	S	93.3	Very high	87.6	Confident	22 Å²	22	9.3 Å²	9.3	15%	0.154	5%	0.048	C	C	.	.	H	α-helix	trans	-53.3	-32.7	170.4	-38.1	0	0	0	0	113	D654 V655	S651-D654 PolarHBondContact O-N 3.11Å; S651-V655 WeakPolarHBondContact O-CG2 3.46Å; S651-V655 PolarHBondContact O-N 3.29Å
652	A	95.5	Very high	88.2	Confident	24 Å²	24	9.3 Å²	9.3	20%	0.198	5%	0.048	C	C	.	.	H	α-helix	trans	-72.3	-29.9	177.5	0	0	0	0	0	113.2	T650 W656 P713 R716	T650-A652 PolarHBondContact O-N 3.15Å; T650-A652 VanDerWaalsContact O-N 3.13Å; T650-A652 PolarHBondContact OG1-N 3.38Å; A652-W656 PolarHBondContact O-N 3.3Å; A652-P713 HydrophobicContact CB-CB 3.99Å; A652-R716 VanDerWaalsContact O-CD 3.26Å; A652-R716 WeakPolarHBondContact O-CD 3.42Å; A652-R716 PolarHBondContact O-NH1 3.24Å
653	S	94.4	Very high	88.9	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-73.7	-34.8	170.4	64.1	0	0	0	0	111.5	S643 F649 T650 W656 M657	S643-S653 VanDerWaalsContact OG-CB 3.26Å; S643-S653 WeakPolarHBondContact OG-CB 3.28Å; F649-S653 WeakPolarHBondContact CA-OG 3.11Å; T650-S653 PolarHBondContact N-OG 3.4Å; T650-S653 PolarHBondContact O-N 3.1Å; T650-S653 PolarHBondContact O-OG 2.87Å; T650-S653 PolarHBondContact OG1-N 3.5Å; S653-W656 WeakPolarHBondContact O-CB 3.45Å; S653-W656 PolarHBondContact O-N 3.27Å; S653-M657 WeakPolarHBondContact O-CG 3.39Å; S653-M657 PolarHBondContact O-N 3Å; S653-M657 VanDerWaalsContact O-N 3.08Å
654	D	97	Very high	89.6	Confident	4 Å²	4	9.6 Å²	9.6	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-65.4	-38.8	174	-81.8	9.5	0	0	0	111.6	V593 H594 R595 I597 T650 S651 W656 M657 F658 F719	V593-D654 WeakPolarHBondContact CA-OD2 3.28Å; V593-D654 WeakPolarHBondContact CG1-OD1 3.42Å; V593-D654 VanDerWaalsContact CG1-OD2 3.32Å; V593-D654 WeakPolarHBondContact CG1-OD2 3.35Å; H594-D654 PolarHBondContact N-OD2 2.79Å; R595-D654 WeakPolarHBondContact CA-OD1 3.5Å; R595-D654 PolarHBondContact N-OD1 3.2Å; I597-D654 HydrophobicContact CD1-CB 3.52Å; I597-D654 WeakPolarHBondContact CD1-O 3.49Å; T650-D654 PolarHBondContact O-N 3.06Å; T650-D654 VanDerWaalsContact O-N 3.07Å; S651-D654 PolarHBondContact O-N 3.11Å; D654-W656 VanDerWaalsContact C-N 3.29Å; D654-W656 PolarHBondContact O-N 2.87Å; D654-M657 PolarHBondContact O-N 3.3Å; D654-F658 WeakPolarHBondContact O-CB 3.27Å; D654-F658 PolarHBondContact O-N 3.22Å; D654-F719 HydrophobicContact CB-CE2 4.02Å; D654-F719 HydrophobicContact CB-CZ 4.06Å
655	V	98.6	Very high	90.8	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-58.6	-39.8	171.8	164	0	0	0	0	112	S651 F658 G659 C708 R716 P717 F719 L722	S651-V655 WeakPolarHBondContact O-CG2 3.46Å; S651-V655 PolarHBondContact O-N 3.29Å; V655-F658 PolarHBondContact O-N 2.91Å; V655-G659 PolarHBondContact O-N 3.01Å; V655-C708 HydrophobicContact CG1-CB 4.02Å; V655-R716 HydrophobicContact CG1-CB 3.92Å; V655-P717 HydrophobicContact CG1-CG 4.49Å; V655-P717 WeakPolarHBondContact CG1-O 3.46Å; V655-P717 WeakPolarHBondContact CG2-O 3.47Å; V655-F719 HydrophobicContact CB-CZ 4.29Å; V655-F719 HydrophobicContact CG2-CD1 4.21Å; V655-F719 HydrophobicContact CG2-CD2 3.91Å; V655-F719 HydrophobicContact CG2-CE1 3.91Å; V655-F719 HydrophobicContact CG2-CE2 3.61Å; V655-F719 HydrophobicContact CG2-CG 4.22Å; V655-F719 HydrophobicContact CG2-CZ 3.62Å; V655-L722 HydrophobicContact CG1-CD1 4Å; V655-L722 HydrophobicContact CG2-CD1 4.07Å
656	W	98.4	Very high	92.3	Very high	5 Å²	5	9.1 Å²	9.1	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-63.5	-47.1	174.8	174.3	-71.3	0	0	0	111.3	W638 M639 A640 P641 A652 S653 D654 F658 G659 V660 I685 W709	W638-W656 VanDerWaalsContact O-CD1 3.23Å; W638-W656 PolarHBondContact O-NE1 3.34Å; M639-W656 PolarHBondContact O-NE1 2.86Å; M639-W656 VanDerWaalsContact O-NE1 3.08Å; A640-W656 HydrophobicContact CB-CB 3.8Å; A640-W656 HydrophobicContact CB-CD2 4.14Å; A640-W656 HydrophobicContact CB-CG 3.69Å; P641-W656 HydrophobicContact CG-CE3 4.49Å; P641-W656 HydrophobicContact CG-CH2 3.91Å; P641-W656 HydrophobicContact CG-CZ2 4.29Å; P641-W656 HydrophobicContact CG-CZ3 3.99Å; A652-W656 PolarHBondContact O-N 3.3Å; S653-W656 WeakPolarHBondContact O-CB 3.45Å; S653-W656 PolarHBondContact O-N 3.27Å; D654-W656 VanDerWaalsContact C-N 3.29Å; D654-W656 PolarHBondContact O-N 2.87Å; W656-F658 PolarHBondContact O-N 3.09Å; W656-G659 WeakPolarHBondContact O-CA 3.46Å; W656-G659 PolarHBondContact O-N 2.82Å; W656-G659 VanDerWaalsContact O-N 3.16Å; W656-V660 PolarHBondContact O-N 3.33Å; W656-V660 VanDerWaalsContact O-N 3.08Å; W656-I685 HydrophobicContact CH2-CG2 3.5Å; W656-I685 HydrophobicContact CZ2-CD1 4.07Å; W656-I685 HydrophobicContact CZ2-CG1 4.37Å; W656-I685 HydrophobicContact CZ2-CG2 3.83Å; W656-W709 HydrophobicContact CE3-CB 4.22Å; W656-W709 HydrophobicContact CH2-CB 4.09Å; W656-W709 VanDerWaalsContact CZ3-C 3.5Å; W656-W709 HydrophobicContact CZ3-CB 3.92Å; W656-W709 VanDerWaalsContact CZ3-O 3.26Å; W656-W709 WeakPolarHBondContact CZ3-O 3.5Å
657	M	98.1	Very high	93.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-41.5	177.9	-64.7	176.4	-156.4	0	0	111.5	R595 I597 W638 M639 F649 S653 D654 G659 V660 C661	R595-M657 WeakPolarHBondContact O-CE 3.36Å; R595-M657 VanDerWaalsContact O-SD 3.33Å; I597-M657 HydrophobicContact CB-CB 3.88Å; W638-M657 WeakPolarHBondContact O-CG 3.43Å; M639-M657 HydrophobicContact CG-CE 4.41Å; F649-M657 HydrophobicContact CD1-CE 3.98Å; F649-M657 HydrophobicContact CE1-CE 3.93Å; S653-M657 WeakPolarHBondContact O-CG 3.39Å; S653-M657 PolarHBondContact O-N 3Å; S653-M657 VanDerWaalsContact O-N 3.08Å; D654-M657 PolarHBondContact O-N 3.3Å; M657-G659 VanDerWaalsContact C-N 3.33Å; M657-G659 PolarHBondContact O-N 3.34Å; M657-V660 CarbonylContact O-C 3.54Å; M657-V660 WeakPolarHBondContact O-CA 3.39Å; M657-V660 WeakPolarHBondContact O-CB 3.33Å; M657-V660 PolarHBondContact O-N 3.04Å; M657-C661 PolarHBondContact O-N 2.81Å
658	F	98.7	Very high	94.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-39.8	172.5	175.5	-112.8	0	0	0	112.4	S577 L580 L584 I597 D654 V655 W656 V660 C661 M662 F719 L722 L726	S577-F658 WeakPolarHBondContact O-CZ 3.24Å; L580-F658 HydrophobicContact CB-CD2 4.5Å; L580-F658 HydrophobicContact CB-CE2 3.86Å; L584-F658 HydrophobicContact CD1-CB 3.96Å; L584-F658 HydrophobicContact CD1-CD2 3.4Å; L584-F658 HydrophobicContact CD1-CE2 4.07Å; L584-F658 HydrophobicContact CD1-CG 3.77Å; I597-F658 HydrophobicContact CG2-CB 4.27Å; D654-F658 WeakPolarHBondContact O-CB 3.27Å; D654-F658 PolarHBondContact O-N 3.22Å; V655-F658 PolarHBondContact O-N 2.91Å; W656-F658 PolarHBondContact O-N 3.09Å; F658-V660 VanDerWaalsContact C-N 3.3Å; F658-V660 PolarHBondContact O-N 2.77Å; F658-C661 WeakPolarHBondContact O-CB 3.42Å; F658-C661 PolarHBondContact O-N 2.81Å; F658-C661 VanDerWaalsContact O-N 3.09Å; F658-M662 HydrophobicContact CD1-CE 3.78Å; F658-M662 HydrophobicContact CD1-CG 4.45Å; F658-M662 HydrophobicContact CD1-SD 4.28Å; F658-M662 HydrophobicContact CD2-CG 4.36Å; F658-M662 HydrophobicContact CE1-CE 3.51Å; F658-M662 HydrophobicContact CE1-CG 3.98Å; F658-M662 HydrophobicContact CE1-SD 3.5Å; F658-M662 VanDerWaalsContact CE1-SD 3.5Å; F658-M662 HydrophobicContact CE2-CG 3.86Å; F658-M662 HydrophobicContact CE2-SD 4.38Å; F658-M662 HydrophobicContact CZ-CE 4.17Å; F658-M662 HydrophobicContact CZ-CG 3.65Å; F658-M662 HydrophobicContact CZ-SD 3.56Å; F658-M662 VanDerWaalsContact CZ-SD 3.56Å; F658-M662 WeakPolarHBondContact O-CG 3.5Å; F658-M662 PolarHBondContact O-N 3.48Å; F658-F719 HydrophobicContact CB-CE1 3.7Å; F658-F719 HydrophobicContact CB-CZ 4.11Å; F658-F719 HydrophobicContact CD1-CD1 4.3Å; F658-F719 AromaticContact CD1-CE1 3.75Å; F658-F719 HydrophobicContact CD1-CE1 3.75Å; F658-F719 AromaticContact CG-CE1 3.75Å; F658-F719 HydrophobicContact CG-CE1 3.75Å; F658-L722 HydrophobicContact CD1-CD1 4.03Å; F658-L722 HydrophobicContact CE1-CB 4.43Å; F658-L722 HydrophobicContact CE1-CD1 4.22Å; F658-L726 HydrophobicContact CE1-CD1 4.08Å; F658-L726 HydrophobicContact CZ-CD1 3.8Å
659	G	98.5	Very high	95.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56	-43.3	170	0	0	0	0	0	112.6	V655 W656 M657 W663 W709	V655-G659 PolarHBondContact O-N 3.01Å; W656-G659 WeakPolarHBondContact O-CA 3.46Å; W656-G659 PolarHBondContact O-N 2.82Å; W656-G659 VanDerWaalsContact O-N 3.16Å; M657-G659 VanDerWaalsContact C-N 3.33Å; M657-G659 PolarHBondContact O-N 3.34Å; G659-W663 PolarHBondContact O-N 2.8Å; G659-W709 VanDerWaalsContact C-NE1 3.34Å; G659-W709 VanDerWaalsContact O-CZ2 3.27Å; G659-W709 WeakPolarHBondContact O-CZ2 3.5Å
660	V	98.2	Very high	96.4	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-66.9	-38.5	173.5	-178.8	0	0	0	0	111.7	W638 W656 M657 F658 W663 E664 P672 L691	W638-V660 HydrophobicContact CG-CG1 4.2Å; W656-V660 PolarHBondContact O-N 3.33Å; W656-V660 VanDerWaalsContact O-N 3.08Å; M657-V660 CarbonylContact O-C 3.54Å; M657-V660 WeakPolarHBondContact O-CA 3.39Å; M657-V660 WeakPolarHBondContact O-CB 3.33Å; M657-V660 PolarHBondContact O-N 3.04Å; F658-V660 VanDerWaalsContact C-N 3.3Å; F658-V660 PolarHBondContact O-N 2.77Å; V660-W663 WeakPolarHBondContact O-CB 3.45Å; V660-W663 PolarHBondContact O-N 3.13Å; V660-E664 PolarHBondContact O-N 3.01Å; V660-P672 HydrophobicContact CG1-CB 3.76Å; V660-P672 HydrophobicContact CG1-CG 3.74Å; V660-L691 HydrophobicContact CG1-CD1 4.06Å; V660-L691 HydrophobicContact CG2-CD1 4.22Å
661	C	98.4	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-42.2	177.6	-168.1	0	0	0	0	112.3	I597 M657 F658 W663 E664 I665	I597-C661 HydrophobicContact CG2-CB 4.09Å; M657-C661 PolarHBondContact O-N 2.81Å; F658-C661 WeakPolarHBondContact O-CB 3.42Å; F658-C661 PolarHBondContact O-N 2.81Å; F658-C661 VanDerWaalsContact O-N 3.09Å; C661-W663 VanDerWaalsContact C-N 3.25Å; C661-W663 PolarHBondContact O-N 3.03Å; C661-E664 PolarHBondContact O-N 2.85Å; C661-I665 VanDerWaalsContact O-CG1 3.28Å; C661-I665 WeakPolarHBondContact O-CG1 3.33Å; C661-I665 PolarHBondContact O-N 2.81Å
662	M	98.6	Very high	96.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-37.4	172.5	-68.2	-170.4	-74.5	0	0	111.6	F658 I665 L666 M705 L726	F658-M662 HydrophobicContact CD1-CE 3.78Å; F658-M662 HydrophobicContact CD1-CG 4.45Å; F658-M662 HydrophobicContact CD1-SD 4.28Å; F658-M662 HydrophobicContact CD2-CG 4.36Å; F658-M662 HydrophobicContact CE1-CE 3.51Å; F658-M662 HydrophobicContact CE1-CG 3.98Å; F658-M662 HydrophobicContact CE1-SD 3.5Å; F658-M662 VanDerWaalsContact CE1-SD 3.5Å; F658-M662 HydrophobicContact CE2-CG 3.86Å; F658-M662 HydrophobicContact CE2-SD 4.38Å; F658-M662 HydrophobicContact CZ-CE 4.17Å; F658-M662 HydrophobicContact CZ-CG 3.65Å; F658-M662 HydrophobicContact CZ-SD 3.56Å; F658-M662 VanDerWaalsContact CZ-SD 3.56Å; F658-M662 WeakPolarHBondContact O-CG 3.5Å; F658-M662 PolarHBondContact O-N 3.48Å; M662-I665 PolarHBondContact O-N 3.14Å; M662-L666 PolarHBondContact O-N 2.71Å; M662-L666 VanDerWaalsContact O-N 3.11Å; M662-M705 HydrophobicContact CB-CE 3.72Å; M662-M705 HydrophobicContact CB-CG 4.39Å; M662-M705 HydrophobicContact CB-SD 4.36Å; M662-M705 HydrophobicContact CE-CG 4.18Å; M662-L726 HydrophobicContact SD-CD1 4.07Å; M662-L726 HydrophobicContact SD-CD2 4.12Å
663	W	98.4	Very high	95.7	Very high	17 Å²	17	15 Å²	15	6%	0.064	7%	0.067	C	C	.	.	H	α-helix	trans	-66.7	-42.3	173.4	-176.5	92.9	0	0	0	112.3	G659 V660 C661 I665 L666 M667 I670 P672 L691 A692 P694 M705 W709	G659-W663 PolarHBondContact O-N 2.8Å; V660-W663 WeakPolarHBondContact O-CB 3.45Å; V660-W663 PolarHBondContact O-N 3.13Å; C661-W663 VanDerWaalsContact C-N 3.25Å; C661-W663 PolarHBondContact O-N 3.03Å; W663-I665 VanDerWaalsContact C-N 3.28Å; W663-I665 PolarHBondContact O-N 2.66Å; W663-L666 PolarHBondContact O-N 2.89Å; W663-M667 HydrophobicContact CD2-CB 4.47Å; W663-M667 HydrophobicContact CD2-CG 3.82Å; W663-M667 HydrophobicContact CE3-CB 4.32Å; W663-M667 HydrophobicContact CE3-CG 4.15Å; W663-M667 HydrophobicContact CG-CG 4.4Å; W663-M667 HydrophobicContact CH2-CB 4.33Å; W663-M667 HydrophobicContact CH2-CE 4.09Å; W663-M667 HydrophobicContact CH2-CG 4.01Å; W663-M667 HydrophobicContact CZ2-CB 4.48Å; W663-M667 HydrophobicContact CZ2-CE 3.79Å; W663-M667 HydrophobicContact CZ2-CG 3.68Å; W663-M667 HydrophobicContact CZ2-SD 4.33Å; W663-M667 HydrophobicContact CZ3-CB 4.23Å; W663-M667 HydrophobicContact CZ3-CG 4.21Å; W663-M667 WeakPolarHBondContact O-CB 3.23Å; W663-M667 VanDerWaalsContact O-CG 3.29Å; W663-M667 WeakPolarHBondContact O-CG 3.28Å; W663-M667 PolarHBondContact O-N 2.87Å; W663-I670 HydrophobicContact CH2-CG2 4.27Å; W663-P672 HydrophobicContact CE3-CB 4.38Å; W663-P672 HydrophobicContact CZ3-CB 4.15Å; W663-L691 HydrophobicContact CB-CD1 4.37Å; W663-L691 HydrophobicContact CD2-CB 4.04Å; W663-L691 HydrophobicContact CD2-CD1 3.84Å; W663-L691 HydrophobicContact CD2-CG 4.36Å; W663-L691 HydrophobicContact CE3-CD1 4.01Å; W663-L691 HydrophobicContact CG-CB 4.06Å; W663-L691 HydrophobicContact CG-CD1 4.01Å; W663-L691 HydrophobicContact CH2-CD2 4.35Å; W663-L691 HydrophobicContact CZ2-CB 4.33Å; W663-L691 HydrophobicContact CZ2-CD2 4.23Å; W663-A692 PolarHBondContact NE1-O 2.79Å; W663-P694 HydrophobicContact CG-CG 4.41Å; W663-M705 HydrophobicContact CB-SD 4.05Å; W663-W709 HydrophobicContact CB-CH2 4.01Å; W663-W709 HydrophobicContact CB-CZ2 3.9Å; W663-W709 AromaticContact CD1-CH2 3.91Å; W663-W709 HydrophobicContact CG-CH2 4.16Å; W663-W709 HydrophobicContact CG-CZ2 4.41Å
664	E	97.7	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-38	173.5	-73.7	-166.7	115.6	0	0	112.1	A599 W638 V660 C661 M667 Y668 G669 P672	A599-E664 HydrophobicContact CB-CB 3.94Å; A599-E664 PolarHBondContact N-OE2 3.05Å; W638-E664 WeakPolarHBondContact CZ2-OE1 3.05Å; W638-E664 PolarHBondContact NE1-OE1 2.85Å; W638-E664 PolarHBondContact NE1-OE2 3.25Å; V660-E664 PolarHBondContact O-N 3.01Å; C661-E664 PolarHBondContact O-N 2.85Å; E664-M667 CarbonylContact O-C 3.48Å; E664-M667 PolarHBondContact O-N 3.18Å; E664-Y668 PolarHBondContact O-N 3.11Å; E664-Y668 VanDerWaalsContact O-N 3.14Å; E664-G669 PolarHBondContact O-N 3.08Å; E664-P672 WeakPolarHBondContact OE1-CD 3.37Å
665	I	98.1	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-53.9	177.9	-67.9	168.5	0	0	0	110.5	L557 L561 L573 F576 L580 C661 M662 W663 M667 Y668	L557-I665 HydrophobicContact CD2-CD1 4.15Å; L557-I665 HydrophobicContact CD2-CG1 4.07Å; L561-I665 HydrophobicContact CD1-CB 4.5Å; L561-I665 HydrophobicContact CD1-CG1 4.32Å; L573-I665 HydrophobicContact CB-CG2 3.93Å; L573-I665 HydrophobicContact CD2-CG2 3.86Å; L573-I665 HydrophobicContact CG-CG2 4.48Å; L573-I665 WeakPolarHBondContact O-CG2 3.37Å; F576-I665 HydrophobicContact CB-CD1 4.39Å; L580-I665 HydrophobicContact CD1-CD1 3.85Å; C661-I665 VanDerWaalsContact O-CG1 3.28Å; C661-I665 WeakPolarHBondContact O-CG1 3.33Å; C661-I665 PolarHBondContact O-N 2.81Å; M662-I665 PolarHBondContact O-N 3.14Å; W663-I665 VanDerWaalsContact C-N 3.28Å; W663-I665 PolarHBondContact O-N 2.66Å; I665-M667 PolarHBondContact O-N 2.95Å; I665-Y668 PolarHBondContact O-N 3.33Å; I665-Y668 VanDerWaalsContact O-N 3.07Å
666	L	97.9	Very high	93.2	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-24	177.4	-65.8	-172	0	0	0	113.9	L570 L573 M662 W663 Y668 P694 C697 L701 M705	L570-L666 HydrophobicContact CD1-CD2 3.91Å; L573-L666 HydrophobicContact CB-CD2 3.85Å; L573-L666 HydrophobicContact CD1-CD2 4.18Å; M662-L666 PolarHBondContact O-N 2.71Å; M662-L666 VanDerWaalsContact O-N 3.11Å; W663-L666 PolarHBondContact O-N 2.89Å; L666-Y668 VanDerWaalsContact C-N 3.31Å; L666-Y668 WeakPolarHBondContact O-CD2 3.19Å; L666-Y668 WeakPolarHBondContact O-CE2 3.26Å; L666-P694 HydrophobicContact CB-CB 3.7Å; L666-P694 HydrophobicContact CB-CG 3.77Å; L666-P694 HydrophobicContact CD1-CB 4.32Å; L666-P694 HydrophobicContact CD1-CG 4.11Å; L666-C697 HydrophobicContact CD1-CB 3.88Å; L666-C697 WeakPolarHBondContact CD1-SG 3.12Å; L666-L701 HydrophobicContact CD1-CD2 3.78Å; L666-L701 HydrophobicContact CD1-CG 4.38Å; L666-L701 HydrophobicContact CD2-CD2 4.36Å; L666-M705 HydrophobicContact CD1-CE 3.36Å; L666-M705 HydrophobicContact CG-CE 4.06Å
667	M	96.4	Very high	91.8	Very high	38 Å²	38	33.7 Å²	33.7	19%	0.187	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	14	174.7	-67.9	-70.4	-74.6	0	0	113.2	W663 E664 I665 G669 I670 P694	W663-M667 HydrophobicContact CD2-CB 4.47Å; W663-M667 HydrophobicContact CD2-CG 3.82Å; W663-M667 HydrophobicContact CE3-CB 4.32Å; W663-M667 HydrophobicContact CE3-CG 4.15Å; W663-M667 HydrophobicContact CG-CG 4.4Å; W663-M667 HydrophobicContact CH2-CB 4.33Å; W663-M667 HydrophobicContact CH2-CE 4.09Å; W663-M667 HydrophobicContact CH2-CG 4.01Å; W663-M667 HydrophobicContact CZ2-CB 4.48Å; W663-M667 HydrophobicContact CZ2-CE 3.79Å; W663-M667 HydrophobicContact CZ2-CG 3.68Å; W663-M667 HydrophobicContact CZ2-SD 4.33Å; W663-M667 HydrophobicContact CZ3-CB 4.23Å; W663-M667 HydrophobicContact CZ3-CG 4.21Å; W663-M667 WeakPolarHBondContact O-CB 3.23Å; W663-M667 VanDerWaalsContact O-CG 3.29Å; W663-M667 WeakPolarHBondContact O-CG 3.28Å; W663-M667 PolarHBondContact O-N 2.87Å; E664-M667 CarbonylContact O-C 3.48Å; E664-M667 PolarHBondContact O-N 3.18Å; I665-M667 PolarHBondContact O-N 2.95Å; M667-G669 PolarHBondContact O-N 3.24Å; M667-I670 HydrophobicContact CB-CB 4.15Å; M667-I670 HydrophobicContact CE-CD1 4.14Å; M667-I670 WeakPolarHBondContact O-CB 3.42Å; M667-I670 WeakPolarHBondContact O-CD1 3.16Å; M667-I670 VanDerWaalsContact O-CG1 3.23Å; M667-I670 WeakPolarHBondContact O-CG1 3.34Å; M667-I670 PolarHBondContact O-N 3.39Å; M667-P694 HydrophobicContact CG-CB 3.99Å; M667-P694 HydrophobicContact CG-CG 3.92Å; M667-P694 HydrophobicContact SD-CB 3.75Å; M667-P694 HydrophobicContact SD-CG 4.2Å
668	Y	96.5	Very high	90.5	Very high	46 Å²	46	37 Å²	37	18%	0.18	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	45.3	174.8	-56.5	-93.3	0	0	0	113.6	Q562 K565 L568 L573 E664 I665 L666 I670	Q562-Y668 WeakPolarHBondContact CG-O 3.47Å; K565-Y668 HydrophobicContact CB-CD1 3.89Å; K565-Y668 HydrophobicContact CB-CE1 4.44Å; K565-Y668 HydrophobicContact CB-CG 4.32Å; K565-Y668 HydrophobicContact CD-CD1 4.41Å; K565-Y668 HydrophobicContact CD-CD2 4.41Å; K565-Y668 HydrophobicContact CD-CG 4.04Å; K565-Y668 HydrophobicContact CG-CD1 3.68Å; K565-Y668 HydrophobicContact CG-CD2 4.3Å; K565-Y668 HydrophobicContact CG-CE1 4.05Å; K565-Y668 HydrophobicContact CG-CG 3.8Å; K565-Y668 WeakPolarHBondContact O-CE1 3.35Å; L568-Y668 HydrophobicContact CB-CE1 4.5Å; L573-Y668 HydrophobicContact CD1-CE1 3.93Å; L573-Y668 HydrophobicContact CD1-CE2 4.42Å; E664-Y668 PolarHBondContact O-N 3.11Å; E664-Y668 VanDerWaalsContact O-N 3.14Å; I665-Y668 PolarHBondContact O-N 3.33Å; I665-Y668 VanDerWaalsContact O-N 3.07Å; L666-Y668 VanDerWaalsContact C-N 3.31Å; L666-Y668 WeakPolarHBondContact O-CD2 3.19Å; L666-Y668 WeakPolarHBondContact O-CE2 3.26Å; Y668-I670 VanDerWaalsContact C-N 3.34Å; Y668-I670 PolarHBondContact O-N 2.84Å
669	G	92.1	Very high	88.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	8.7	176	0	0	0	0	0	115.9	R558 E664 M667	R558-G669 PolarHBondContact NE-O 3.13Å; R558-G669 PolarHBondContact NH2-O 3.06Å; E664-G669 PolarHBondContact O-N 3.08Å; M667-G669 PolarHBondContact O-N 3.24Å
670	I	91.8	Very high	87.7	Confident	57 Å²	57	46.6 Å²	46.6	29%	0.292	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-61.2	135.4	168.7	-69.8	170.2	0	0	0	109.5	W663 M667 Y668	W663-I670 HydrophobicContact CH2-CG2 4.27Å; M667-I670 HydrophobicContact CB-CB 4.15Å; M667-I670 HydrophobicContact CE-CD1 4.14Å; M667-I670 WeakPolarHBondContact O-CB 3.42Å; M667-I670 WeakPolarHBondContact O-CD1 3.16Å; M667-I670 VanDerWaalsContact O-CG1 3.23Å; M667-I670 WeakPolarHBondContact O-CG1 3.34Å; M667-I670 PolarHBondContact O-N 3.39Å; Y668-I670 VanDerWaalsContact C-N 3.34Å; Y668-I670 PolarHBondContact O-N 2.84Å
671	K	87.1	Confident	86.6	Confident	112 Å²	112	46.5 Å²	46.5	49%	0.487	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-70.4	136.3	-177.3	-64.1	-177.9	179.8	178.4	0	110.8	Q674	K671-Q674 PolarHBondContact O-N 3.12Å
672	P	89.3	Confident	85.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	146.1	174.2	26.4	-34.9	0	0	0	110.8	K637 W638 V660 W663 E664 Q674 L691	K637-P672 HydrophobicContact CB-CG 4.1Å; K637-P672 VanDerWaalsContact CD-O 3.25Å; K637-P672 WeakPolarHBondContact CD-O 3.37Å; W638-P672 HydrophobicContact CD2-CG 3.95Å; W638-P672 HydrophobicContact CE3-CG 4.46Å; W638-P672 HydrophobicContact CG-CG 4.39Å; W638-P672 HydrophobicContact CH2-CG 4.33Å; W638-P672 HydrophobicContact CZ2-CG 3.82Å; V660-P672 HydrophobicContact CG1-CB 3.76Å; V660-P672 HydrophobicContact CG1-CG 3.74Å; W663-P672 HydrophobicContact CE3-CB 4.38Å; W663-P672 HydrophobicContact CZ3-CB 4.15Å; E664-P672 WeakPolarHBondContact OE1-CD 3.37Å; P672-Q674 VanDerWaalsContact C-N 3.3Å; P672-Q674 PolarHBondContact O-N 3.37Å; P672-L691 HydrophobicContact CB-CD1 3.89Å; P672-L691 HydrophobicContact CB-CD2 4.02Å
673	F	85.5	Confident	84.4	Confident	25 Å²	25	47.2 Å²	47.2	11%	0.11	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	47.9	-177.1	-51.7	-81.2	0	0	0	113.5	K637 V676 V681 I685 L691	K637-F673 HydrophobicContact CB-CD2 4.34Å; K637-F673 HydrophobicContact CD-CB 4.29Å; K637-F673 PolarHBondContact NZ-O 3Å; F673-V676 HydrophobicContact CB-CB 4.05Å; F673-V676 HydrophobicContact CB-CG2 4.04Å; F673-V676 WeakPolarHBondContact O-CB 3.45Å; F673-V676 PolarHBondContact O-N 3.21Å; F673-V681 HydrophobicContact CB-CG2 4.11Å; F673-V681 HydrophobicContact CD2-CG1 3.88Å; F673-V681 HydrophobicContact CE2-CG1 3.98Å; F673-V681 HydrophobicContact CG-CG1 4.27Å; F673-V681 HydrophobicContact CG-CG2 4.3Å; F673-V681 HydrophobicContact CZ-CG1 4.44Å; F673-I685 HydrophobicContact CE2-CD1 4.24Å; F673-I685 HydrophobicContact CZ-CD1 4.06Å; F673-I685 HydrophobicContact CZ-CG1 3.94Å; F673-L691 HydrophobicContact CD1-CD2 3.93Å; F673-L691 HydrophobicContact CD2-CD2 3.91Å; F673-L691 HydrophobicContact CE1-CD2 3.87Å; F673-L691 HydrophobicContact CE1-CG 4.32Å; F673-L691 HydrophobicContact CE2-CD1 4.42Å; F673-L691 HydrophobicContact CE2-CD2 3.85Å; F673-L691 HydrophobicContact CE2-CG 4.09Å; F673-L691 HydrophobicContact CG-CD2 3.95Å; F673-L691 HydrophobicContact CZ-CD2 3.83Å; F673-L691 HydrophobicContact CZ-CG 3.93Å
674	Q	83.1	Confident	83.7	Confident	143 Å²	143	51 Å²	51	67%	0.668	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	141.6	174.3	-174.7	169.3	-11.6	0	0	111.1	K671 P672 V676	K671-Q674 PolarHBondContact O-N 3.12Å; P672-Q674 VanDerWaalsContact C-N 3.3Å; P672-Q674 PolarHBondContact O-N 3.37Å; Q674-V676 PolarHBondContact O-N 2.96Å; Q674-V676 VanDerWaalsContact O-N 3.13Å
675	G	78.1	Confident	83.2	Confident	82 Å²	82	51.1 Å²	51.1	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-18.6	-175.4	0	0	0	0	0	116.2
676	V	75.8	Confident	82.5	Confident	22 Å²	22	51.9 Å²	51.9	13%	0.133	27%	0.267	C	S	.	.			trans	-82.6	141.3	179.2	-171.6	0	0	0	0	111.1	K637 F673 Q674 D680 V681	K637-V676 WeakPolarHBondContact CE-O 3.45Å; K637-V676 PolarHBondContact NZ-O 3.37Å; F673-V676 HydrophobicContact CB-CB 4.05Å; F673-V676 HydrophobicContact CB-CG2 4.04Å; F673-V676 WeakPolarHBondContact O-CB 3.45Å; F673-V676 PolarHBondContact O-N 3.21Å; Q674-V676 PolarHBondContact O-N 2.96Å; Q674-V676 VanDerWaalsContact O-N 3.13Å; V676-D680 HydrophobicContact CG1-CB 3.74Å; V676-V681 HydrophobicContact CB-CG2 4.27Å; V676-V681 HydrophobicContact CG1-CG2 3.72Å
677	K	69.3	Low	82	Confident	157 Å²	157	57.8 Å²	57.8	68%	0.683	30%	0.299	S	S	*	.			trans	-81.5	148.4	172.7	-56	177.6	178	179.6	0	110.3	N679 D680 V681	K677-N679 PolarHBondContact O-N 2.92Å; K677-N679 VanDerWaalsContact O-N 3.13Å; K677-D680 WeakPolarHBondContact CB-OD2 3.36Å; K677-D680 PolarHBondContact N-OD2 3.25Å; K677-D680 WeakPolarHBondContact O-CB 3.1Å; K677-D680 PolarHBondContact O-N 3.38Å; K677-V681 PolarHBondContact O-N 3.48Å
678	N	70.6	Confident	81.6	Confident	68 Å²	68	58.3 Å²	58.3	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-54.4	-38.3	-174.2	-72.2	3.2	0	0	0	113.5	I636 K637 D680 V681	I636-N678 HydrophobicContact CB-CB 4.09Å; I636-N678 HydrophobicContact CG1-CB 4.31Å; I636-N678 HydrophobicContact CG2-CB 4.12Å; K637-N678 WeakPolarHBondContact CE-OD1 3.41Å; N678-D680 PolarHBondContact O-N 3.36Å; N678-V681 WeakPolarHBondContact O-CB 3.29Å; N678-V681 PolarHBondContact O-N 3.35Å
679	N	66	Low	81.4	Confident	130 Å²	130	59.9 Å²	59.9	70%	0.695	32%	0.323	S	S	*	.	H	α-helix	trans	-68.2	-23	-179	-56	19.5	0	0	0	113	R217 K677	R217-N679 PolarHBondContact NH2-O 3.4Å; K677-N679 PolarHBondContact O-N 2.92Å; K677-N679 VanDerWaalsContact O-N 3.13Å
680	D	73.8	Confident	81.6	Confident	73 Å²	73	63 Å²	63	39%	0.39	34%	0.335	S	S	.	.	H	α-helix	trans	-83.3	-30.5	179	-47.3	-31.7	0	0	0	111.3	V676 K677 N678 I682 G683 R684	V676-D680 HydrophobicContact CG1-CB 3.74Å; K677-D680 WeakPolarHBondContact CB-OD2 3.36Å; K677-D680 PolarHBondContact N-OD2 3.25Å; K677-D680 WeakPolarHBondContact O-CB 3.1Å; K677-D680 PolarHBondContact O-N 3.38Å; N678-D680 PolarHBondContact O-N 3.36Å; D680-I682 PolarHBondContact O-N 3.47Å; D680-G683 WeakPolarHBondContact O-CA 3.4Å; D680-G683 PolarHBondContact O-N 3.35Å; D680-R684 PolarHBondContact O-N 2.91Å; D680-R684 VanDerWaalsContact O-N 3.08Å
681	V	74.9	Confident	81.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-47.8	-172.7	172.3	0	0	0	0	112	K637 F673 V676 K677 N678 G683 R684 I685	K637-V681 HydrophobicContact CG-CG2 4.29Å; F673-V681 HydrophobicContact CB-CG2 4.11Å; F673-V681 HydrophobicContact CD2-CG1 3.88Å; F673-V681 HydrophobicContact CE2-CG1 3.98Å; F673-V681 HydrophobicContact CG-CG1 4.27Å; F673-V681 HydrophobicContact CG-CG2 4.3Å; F673-V681 HydrophobicContact CZ-CG1 4.44Å; V676-V681 HydrophobicContact CB-CG2 4.27Å; V676-V681 HydrophobicContact CG1-CG2 3.72Å; K677-V681 PolarHBondContact O-N 3.48Å; N678-V681 WeakPolarHBondContact O-CB 3.29Å; N678-V681 PolarHBondContact O-N 3.35Å; V681-G683 PolarHBondContact O-N 2.88Å; V681-R684 PolarHBondContact O-N 3.23Å; V681-I685 HydrophobicContact CG1-CD1 3.61Å; V681-I685 HydrophobicContact CG1-CG1 4.45Å; V681-I685 WeakPolarHBondContact O-CG1 3.28Å; V681-I685 PolarHBondContact O-N 2.95Å
682	I	77.4	Confident	82.2	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-35.8	177.5	-177.2	59.8	0	0	0	111.7	P641 I644 D680 I685 E686	P641-I682 HydrophobicContact CB-CD1 4.12Å; I644-I682 HydrophobicContact CB-CD1 4.28Å; I644-I682 HydrophobicContact CD1-CD1 4.19Å; I644-I682 HydrophobicContact CG2-CB 4.15Å; I644-I682 HydrophobicContact CG2-CD1 4.25Å; I644-I682 HydrophobicContact CG2-CG1 4.13Å; D680-I682 PolarHBondContact O-N 3.47Å; I682-I685 PolarHBondContact O-N 3.35Å; I682-E686 HydrophobicContact CD1-CG 4.09Å; I682-E686 HydrophobicContact CG1-CG 4.28Å; I682-E686 VanDerWaalsContact O-CB 3.23Å; I682-E686 WeakPolarHBondContact O-CB 3.1Å; I682-E686 VanDerWaalsContact O-CG 3.24Å; I682-E686 WeakPolarHBondContact O-CG 3.38Å; I682-E686 PolarHBondContact O-N 2.81Å
683	G	71.8	Confident	82.6	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-43.7	177.7	0	0	0	0	0	113.6	D680 V681 E686 N687	D680-G683 WeakPolarHBondContact O-CA 3.4Å; D680-G683 PolarHBondContact O-N 3.35Å; V681-G683 PolarHBondContact O-N 2.88Å; G683-E686 PolarHBondContact O-N 2.93Å; G683-N687 WeakPolarHBondContact O-CB 3.36Å; G683-N687 PolarHBondContact O-N 3.28Å
684	R	85.7	Confident	83.1	Confident	96 Å²	96	62.6 Å²	62.6	36%	0.362	35%	0.348	S	S	.	.	H	α-helix	trans	-56.6	-51.5	173.1	-67.1	-176.2	173.1	-93.7	2.7	110.7	D680 V681 E686 N687 G688 E689	D680-R684 PolarHBondContact O-N 2.91Å; D680-R684 VanDerWaalsContact O-N 3.08Å; V681-R684 PolarHBondContact O-N 3.23Å; R684-E686 VanDerWaalsContact C-N 3.32Å; R684-E686 PolarHBondContact O-N 3.29Å; R684-N687 PolarHBondContact O-N 3.04Å; R684-G688 PolarHBondContact O-N 2.84Å; R684-E689 HydrophobicContact CB-CB 3.99Å; R684-E689 VanDerWaalsContact CB-CD 3.49Å; R684-E689 HydrophobicContact CB-CG 4.22Å; R684-E689 WeakPolarHBondContact CB-OE2 3.27Å; R684-E689 VanDerWaalsContact CD-OE2 3.3Å; R684-E689 WeakPolarHBondContact CD-OE2 3.43Å; R684-E689 WeakPolarHBondContact CG-OE1 3.3Å; R684-E689 WeakPolarHBondContact CG-OE2 3.42Å; R684-E689 IonicContact CZ-OE2 2.76Å; R684-E689 IonicContact NE-OE2 3.23Å; R684-E689 IonicContact NH1-OE1 2.68Å; R684-E689 IonicContact NH1-OE2 3.07Å; R684-E689 PolarHBondContact NH1-OE2 2.86Å; R684-E689 VanDerWaalsContact O-CB 3.31Å; R684-E689 WeakPolarHBondContact O-CB 3.38Å; R684-E689 PolarHBondContact O-N 2.95Å
685	I	86.7	Confident	83.5	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-40.2	178.8	-66.2	164.5	0	0	0	111.7	P641 W656 F673 V681 I682 G688 R690	P641-I685 HydrophobicContact CG-CG2 3.71Å; W656-I685 HydrophobicContact CH2-CG2 3.5Å; W656-I685 HydrophobicContact CZ2-CD1 4.07Å; W656-I685 HydrophobicContact CZ2-CG1 4.37Å; W656-I685 HydrophobicContact CZ2-CG2 3.83Å; F673-I685 HydrophobicContact CE2-CD1 4.24Å; F673-I685 HydrophobicContact CZ-CD1 4.06Å; F673-I685 HydrophobicContact CZ-CG1 3.94Å; V681-I685 HydrophobicContact CG1-CD1 3.61Å; V681-I685 HydrophobicContact CG1-CG1 4.45Å; V681-I685 WeakPolarHBondContact O-CG1 3.28Å; V681-I685 PolarHBondContact O-N 2.95Å; I682-I685 PolarHBondContact O-N 3.35Å; I685-G688 PolarHBondContact O-N 2.78Å; I685-R690 PolarHBondContact O-NH1 2.8Å
686	E	82.3	Confident	84	Confident	16 Å²	16	64.6 Å²	64.6	8%	0.075	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-31	178.1	-82.2	-174.9	168.7	0	0	113.7	R217 K223 N645 I682 G683 R684 Y711	R217-E686 WeakPolarHBondContact CD-OE2 3.17Å; K223-E686 VanDerWaalsContact NZ-CA 3.32Å; K223-E686 VanDerWaalsContact NZ-CB 3.33Å; K223-E686 PolarHBondContact NZ-O 2.64Å; N645-E686 PolarHBondContact ND2-OE1 3.29Å; I682-E686 HydrophobicContact CD1-CG 4.09Å; I682-E686 HydrophobicContact CG1-CG 4.28Å; I682-E686 VanDerWaalsContact O-CB 3.23Å; I682-E686 WeakPolarHBondContact O-CB 3.1Å; I682-E686 VanDerWaalsContact O-CG 3.24Å; I682-E686 WeakPolarHBondContact O-CG 3.38Å; I682-E686 PolarHBondContact O-N 2.81Å; G683-E686 PolarHBondContact O-N 2.93Å; R684-E686 VanDerWaalsContact C-N 3.32Å; R684-E686 PolarHBondContact O-N 3.29Å; E686-Y711 HydrophobicContact CG-CE2 3.89Å
687	N	87.1	Confident	84.9	Confident	131 Å²	131	64.1 Å²	64.1	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	172.3	-70.6	-10.5	0	0	0	113	G683 R684	G683-N687 WeakPolarHBondContact O-CB 3.36Å; G683-N687 PolarHBondContact O-N 3.28Å; R684-N687 PolarHBondContact O-N 3.04Å
688	G	88.8	Confident	86.1	Confident	50 Å²	50	57.6 Å²	57.6	52%	0.515	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-2.1	179	0	0	0	0	0	115.2	R684 I685	R684-G688 PolarHBondContact O-N 2.84Å; I685-G688 PolarHBondContact O-N 2.78Å
689	E	92.8	Very high	87.3	Confident	78 Å²	78	59.4 Å²	59.4	36%	0.364	33%	0.331	S	S	.	.			trans	-60.8	144.6	173.7	-62.5	175.3	-134.4	0	0	110.8	R684	R684-E689 HydrophobicContact CB-CB 3.99Å; R684-E689 VanDerWaalsContact CB-CD 3.49Å; R684-E689 HydrophobicContact CB-CG 4.22Å; R684-E689 WeakPolarHBondContact CB-OE2 3.27Å; R684-E689 VanDerWaalsContact CD-OE2 3.3Å; R684-E689 WeakPolarHBondContact CD-OE2 3.43Å; R684-E689 WeakPolarHBondContact CG-OE1 3.3Å; R684-E689 WeakPolarHBondContact CG-OE2 3.42Å; R684-E689 IonicContact CZ-OE2 2.76Å; R684-E689 IonicContact NE-OE2 3.23Å; R684-E689 IonicContact NH1-OE1 2.68Å; R684-E689 IonicContact NH1-OE2 3.07Å; R684-E689 PolarHBondContact NH1-OE2 2.86Å; R684-E689 VanDerWaalsContact O-CB 3.31Å; R684-E689 WeakPolarHBondContact O-CB 3.38Å; R684-E689 PolarHBondContact O-N 2.95Å
690	R	95.7	Very high	88.7	Confident	65 Å²	65	56.7 Å²	56.7	25%	0.245	32%	0.319	C	S	.	.			trans	-135.8	165.2	175.4	-65.8	-61	-178.6	-90.6	6.7	109.8	I685 A692 W709	I685-R690 PolarHBondContact O-NH1 2.8Å; R690-A692 PolarHBondContact O-N 2.95Å; R690-W709 HydrophobicContact CB-CE3 4.14Å; R690-W709 HydrophobicContact CG-CE3 4.46Å; R690-W709 PolarHBondContact NE-O 3.16Å; R690-W709 PolarHBondContact NH2-O 3.22Å
691	L	95.9	Very high	89.9	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.052	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.7	130.5	173.6	-63.8	168.8	0	0	0	108.9	V660 W663 P672 F673 Y702 W709	V660-L691 HydrophobicContact CG1-CD1 4.06Å; V660-L691 HydrophobicContact CG2-CD1 4.22Å; W663-L691 HydrophobicContact CB-CD1 4.37Å; W663-L691 HydrophobicContact CD2-CB 4.04Å; W663-L691 HydrophobicContact CD2-CD1 3.84Å; W663-L691 HydrophobicContact CD2-CG 4.36Å; W663-L691 HydrophobicContact CE3-CD1 4.01Å; W663-L691 HydrophobicContact CG-CB 4.06Å; W663-L691 HydrophobicContact CG-CD1 4.01Å; W663-L691 HydrophobicContact CH2-CD2 4.35Å; W663-L691 HydrophobicContact CZ2-CB 4.33Å; W663-L691 HydrophobicContact CZ2-CD2 4.23Å; P672-L691 HydrophobicContact CB-CD1 3.89Å; P672-L691 HydrophobicContact CB-CD2 4.02Å; F673-L691 HydrophobicContact CD1-CD2 3.93Å; F673-L691 HydrophobicContact CD2-CD2 3.91Å; F673-L691 HydrophobicContact CE1-CD2 3.87Å; F673-L691 HydrophobicContact CE1-CG 4.32Å; F673-L691 HydrophobicContact CE2-CD1 4.42Å; F673-L691 HydrophobicContact CE2-CD2 3.85Å; F673-L691 HydrophobicContact CE2-CG 4.09Å; F673-L691 HydrophobicContact CG-CD2 3.95Å; F673-L691 HydrophobicContact CZ-CD2 3.83Å; F673-L691 HydrophobicContact CZ-CG 3.93Å; L691-Y702 PolarHBondContact O-OH 2.95Å; L691-W709 HydrophobicContact CB-CH2 3.78Å; L691-W709 HydrophobicContact CB-CZ2 4.26Å; L691-W709 HydrophobicContact CB-CZ3 4.18Å; L691-W709 HydrophobicContact CD1-CH2 4.31Å; L691-W709 HydrophobicContact CD1-CZ2 3.95Å
692	A	95.5	Very high	91	Very high	72 Å²	72	55.7 Å²	55.7	60%	0.595	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-68	153.9	-174.2	0	0	0	0	0	112.4	W663 R690 P694	W663-A692 PolarHBondContact NE1-O 2.79Å; R690-A692 PolarHBondContact O-N 2.95Å; A692-P694 WeakPolarHBondContact O-CD 3.24Å
693	M	97.1	Very high	92	Very high	102 Å²	102	57.9 Å²	57.9	50%	0.502	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56.3	123.8	178.8	-171.8	168.4	74.2	0	0	111.5	C697 Y702	M693-C697 HydrophobicContact CG-CB 4.04Å; M693-Y702 VanDerWaalsContact CA-CE2 3.44Å; M693-Y702 HydrophobicContact CB-CD1 3.92Å; M693-Y702 HydrophobicContact CB-CD2 3.88Å; M693-Y702 HydrophobicContact CB-CE1 3.9Å; M693-Y702 HydrophobicContact CB-CE2 3.86Å; M693-Y702 HydrophobicContact CB-CG 3.9Å; M693-Y702 HydrophobicContact CG-CD1 3.89Å; M693-Y702 HydrophobicContact CG-CD2 3.91Å; M693-Y702 HydrophobicContact CG-CE1 4.4Å; M693-Y702 HydrophobicContact CG-CE2 4.41Å; M693-Y702 HydrophobicContact CG-CG 3.61Å; M693-Y702 HydrophobicContact SD-CD1 3.82Å; M693-Y702 HydrophobicContact SD-CG 3.96Å
694	P	96	Very high	93.2	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.019	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.5	150	177.8	-25.8	36.5	0	0	0	112.5	W663 L666 M667 A692 Q696 C697	W663-P694 HydrophobicContact CG-CG 4.41Å; L666-P694 HydrophobicContact CB-CB 3.7Å; L666-P694 HydrophobicContact CB-CG 3.77Å; L666-P694 HydrophobicContact CD1-CB 4.32Å; L666-P694 HydrophobicContact CD1-CG 4.11Å; M667-P694 HydrophobicContact CG-CB 3.99Å; M667-P694 HydrophobicContact CG-CG 3.92Å; M667-P694 HydrophobicContact SD-CB 3.75Å; M667-P694 HydrophobicContact SD-CG 4.2Å; A692-P694 WeakPolarHBondContact O-CD 3.24Å; P694-Q696 PolarHBondContact O-N 3.12Å; P694-C697 HydrophobicContact CB-CB 4.13Å; P694-C697 HydrophobicContact CG-CB 4.48Å; P694-C697 WeakPolarHBondContact O-CB 3.22Å; P694-C697 PolarHBondContact O-N 3.45Å
695	P	92.1	Very high	93.8	Very high	100 Å²	100	53.2 Å²	53.2	65%	0.649	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	137.9	172.7	-22.7	33.5	0	0	0	111.2	C697	P695-C697 PolarHBondContact O-N 2.76Å; P695-C697 VanDerWaalsContact O-N 3.16Å
696	Q	88.6	Confident	94.3	Very high	167 Å²	167	55.8 Å²	55.8	78%	0.78	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	10	-179.2	-48.6	176.7	21.2	0	0	115.3	L570 P694	L570-Q696 WeakPolarHBondContact CD2-O 3.28Å; P694-Q696 PolarHBondContact O-N 3.12Å
697	C	95.4	Very high	95.1	Very high	11 Å²	11	58.7 Å²	58.7	7%	0.074	34%	0.336	C	S	.	.			trans	-69	130.5	174.6	-175.2	0	0	0	0	111.9	L666 M693 P694 P695	L666-C697 HydrophobicContact CD1-CB 3.88Å; L666-C697 WeakPolarHBondContact CD1-SG 3.12Å; M693-C697 HydrophobicContact CG-CB 4.04Å; P694-C697 HydrophobicContact CB-CB 4.13Å; P694-C697 HydrophobicContact CG-CB 4.48Å; P694-C697 WeakPolarHBondContact O-CB 3.22Å; P694-C697 PolarHBondContact O-N 3.45Å; P695-C697 PolarHBondContact O-N 2.76Å; P695-C697 VanDerWaalsContact O-N 3.16Å
698	P	94.9	Very high	95.6	Very high	21 Å²	21	52.5 Å²	52.5	14%	0.136	30%	0.303	C	S	.	.			trans	-59.5	138.2	170.1	-26	35.9	0	0	0	112.1	L570 I574 T700 L701 Y702	L570-P698 HydrophobicContact CD2-CG 3.93Å; I574-P698 HydrophobicContact CD1-CG 4.45Å; P698-T700 PolarHBondContact O-N 2.72Å; P698-L701 HydrophobicContact CB-CB 4.14Å; P698-L701 HydrophobicContact CG-CB 4.47Å; P698-L701 WeakPolarHBondContact O-CB 3.34Å; P698-L701 PolarHBondContact O-N 3.03Å; P698-Y702 PolarHBondContact O-N 3.02Å
699	P	95.3	Very high	96.1	Very high	105 Å²	105	50.3 Å²	50.3	68%	0.682	28%	0.279	S	S	*	.	H	α-helix	trans	-59	-32.6	178.1	-26.6	35.5	0	0	0	113.9	S703	P699-S703 WeakPolarHBondContact O-CB 3.39Å; P699-S703 PolarHBondContact O-N 2.99Å
700	T	96.1	Very high	96.3	Very high	73 Å²	73	47.8 Å²	47.8	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-44.7	173.6	46.9	0	0	0	0	111.8	P698 S703 L704	P698-T700 PolarHBondContact O-N 2.72Å; T700-S703 WeakPolarHBondContact O-CB 3.28Å; T700-S703 PolarHBondContact O-N 3.39Å; T700-L704 PolarHBondContact O-N 3.4Å
701	L	97.5	Very high	96.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-42.9	179.1	-175.1	57.4	0	0	0	112.3	I574 L666 P698 L704 M705 L726 I729	I574-L701 HydrophobicContact CD1-CD2 4.14Å; I574-L701 HydrophobicContact CG1-CD2 3.74Å; L666-L701 HydrophobicContact CD1-CD2 3.78Å; L666-L701 HydrophobicContact CD1-CG 4.38Å; L666-L701 HydrophobicContact CD2-CD2 4.36Å; P698-L701 HydrophobicContact CB-CB 4.14Å; P698-L701 HydrophobicContact CG-CB 4.47Å; P698-L701 WeakPolarHBondContact O-CB 3.34Å; P698-L701 PolarHBondContact O-N 3.03Å; L701-L704 WeakPolarHBondContact O-CB 3.43Å; L701-L704 PolarHBondContact O-N 3.42Å; L701-M705 HydrophobicContact CG-CE 4.06Å; L701-M705 PolarHBondContact O-N 3.16Å; L701-L726 HydrophobicContact CD1-CD2 3.56Å; L701-I729 HydrophobicContact CB-CD1 4.43Å; L701-I729 HydrophobicContact CB-CG2 4.34Å
702	Y	98.3	Very high	95.9	Very high	53 Å²	53	47.7 Å²	47.7	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-37.3	174.6	-176.4	-114.2	0	0	0	112.2	L691 M693 P698 L704 M705 T706 W709	L691-Y702 PolarHBondContact O-OH 2.95Å; M693-Y702 VanDerWaalsContact CA-CE2 3.44Å; M693-Y702 HydrophobicContact CB-CD1 3.92Å; M693-Y702 HydrophobicContact CB-CD2 3.88Å; M693-Y702 HydrophobicContact CB-CE1 3.9Å; M693-Y702 HydrophobicContact CB-CE2 3.86Å; M693-Y702 HydrophobicContact CB-CG 3.9Å; M693-Y702 HydrophobicContact CG-CD1 3.89Å; M693-Y702 HydrophobicContact CG-CD2 3.91Å; M693-Y702 HydrophobicContact CG-CE1 4.4Å; M693-Y702 HydrophobicContact CG-CE2 4.41Å; M693-Y702 HydrophobicContact CG-CG 3.61Å; M693-Y702 HydrophobicContact SD-CD1 3.82Å; M693-Y702 HydrophobicContact SD-CG 3.96Å; P698-Y702 PolarHBondContact O-N 3.02Å; Y702-L704 VanDerWaalsContact C-N 3.28Å; Y702-L704 PolarHBondContact O-N 3.28Å; Y702-M705 WeakPolarHBondContact O-CB 3.17Å; Y702-M705 PolarHBondContact O-N 2.93Å; Y702-M705 VanDerWaalsContact O-N 3.16Å; Y702-T706 HydrophobicContact CD1-CG2 4.32Å; Y702-T706 HydrophobicContact CE1-CG2 3.87Å; Y702-T706 HydrophobicContact CE2-CG2 4.2Å; Y702-T706 PolarHBondContact O-N 3.36Å; Y702-T706 PolarHBondContact O-OG1 3.24Å; Y702-W709 HydrophobicContact CE2-CZ3 4.08Å
703	S	97.8	Very high	95.7	Very high	56 Å²	56	46 Å²	46	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-55.2	-45.4	170	-178	0	0	0	0	110.8	P699 T700 M705 T706 K707	P699-S703 WeakPolarHBondContact O-CB 3.39Å; P699-S703 PolarHBondContact O-N 2.99Å; T700-S703 WeakPolarHBondContact O-CB 3.28Å; T700-S703 PolarHBondContact O-N 3.39Å; S703-M705 PolarHBondContact O-N 2.92Å; S703-T706 PolarHBondContact O-N 3.31Å; S703-T706 VanDerWaalsContact O-N 3.14Å; S703-T706 PolarHBondContact O-OG1 3.01Å; S703-K707 PolarHBondContact O-N 3.41Å
704	L	97.9	Very high	95.4	Very high	2 Å²	2	46 Å²	46	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-40.2	176	-164.1	56.6	0	0	0	113.2	T700 L701 Y702 K707 C708 L722 Q725 L726 I729	T700-L704 PolarHBondContact O-N 3.4Å; L701-L704 WeakPolarHBondContact O-CB 3.43Å; L701-L704 PolarHBondContact O-N 3.42Å; Y702-L704 VanDerWaalsContact C-N 3.28Å; Y702-L704 PolarHBondContact O-N 3.28Å; L704-K707 HydrophobicContact CD1-CD 4.07Å; L704-K707 WeakPolarHBondContact O-CB 3.31Å; L704-K707 PolarHBondContact O-N 2.63Å; L704-C708 PolarHBondContact O-N 3.11Å; L704-C708 PolarHBondContact O-SG 3.1Å; L704-L722 HydrophobicContact CD1-CD2 3.6Å; L704-L722 HydrophobicContact CD2-CD2 4.08Å; L704-L722 HydrophobicContact CG-CD2 3.67Å; L704-Q725 HydrophobicContact CD1-CB 4.22Å; L704-Q725 VanDerWaalsContact CD1-OE1 3.25Å; L704-Q725 HydrophobicContact CD2-CB 3.88Å; L704-L726 HydrophobicContact CD2-CD2 4.1Å; L704-L726 HydrophobicContact CD2-CG 3.86Å; L704-I729 HydrophobicContact CD2-CD1 4.39Å
705	M	98.4	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-43.6	172.5	-60.6	-174.3	-166.6	0	0	112	M662 W663 L666 L701 Y702 S703 K707 C708 W709	M662-M705 HydrophobicContact CB-CE 3.72Å; M662-M705 HydrophobicContact CB-CG 4.39Å; M662-M705 HydrophobicContact CB-SD 4.36Å; M662-M705 HydrophobicContact CE-CG 4.18Å; W663-M705 HydrophobicContact CB-SD 4.05Å; L666-M705 HydrophobicContact CD1-CE 3.36Å; L666-M705 HydrophobicContact CG-CE 4.06Å; L701-M705 HydrophobicContact CG-CE 4.06Å; L701-M705 PolarHBondContact O-N 3.16Å; Y702-M705 WeakPolarHBondContact O-CB 3.17Å; Y702-M705 PolarHBondContact O-N 2.93Å; Y702-M705 VanDerWaalsContact O-N 3.16Å; S703-M705 PolarHBondContact O-N 2.92Å; M705-K707 VanDerWaalsContact C-N 3.33Å; M705-K707 PolarHBondContact O-N 2.9Å; M705-C708 WeakPolarHBondContact O-CA 3.3Å; M705-C708 VanDerWaalsContact O-CB 3.29Å; M705-C708 WeakPolarHBondContact O-CB 3.46Å; M705-C708 PolarHBondContact O-N 3.49Å; M705-C708 VanDerWaalsContact O-N 3.09Å; M705-W709 HydrophobicContact CB-CE3 4.34Å; M705-W709 HydrophobicContact CB-CH2 3.83Å; M705-W709 HydrophobicContact CB-CZ2 4.15Å; M705-W709 HydrophobicContact CB-CZ3 3.94Å; M705-W709 PolarHBondContact O-N 3.13Å; M705-W709 HydrophobicContact SD-CH2 4.16Å
706	T	97.7	Very high	95.6	Very high	57 Å²	57	48.9 Å²	48.9	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-30.7	179.7	61.4	0	0	0	0	113.2	Y702 S703 W709 S710	Y702-T706 HydrophobicContact CD1-CG2 4.32Å; Y702-T706 HydrophobicContact CE1-CG2 3.87Å; Y702-T706 HydrophobicContact CE2-CG2 4.2Å; Y702-T706 PolarHBondContact O-N 3.36Å; Y702-T706 PolarHBondContact O-OG1 3.24Å; S703-T706 PolarHBondContact O-N 3.31Å; S703-T706 VanDerWaalsContact O-N 3.14Å; S703-T706 PolarHBondContact O-OG1 3.01Å; T706-W709 HydrophobicContact CG2-CE3 4.32Å; T706-W709 HydrophobicContact CG2-CZ3 4.49Å; T706-W709 CarbonylContact O-C 3.29Å; T706-W709 PolarHBondContact O-N 3.25Å; T706-S710 PolarHBondContact O-N 3.45Å
707	K	98.1	Very high	96.1	Very high	77 Å²	77	41.4 Å²	41.4	34%	0.335	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-46.5	166.6	-66.7	179	-176.6	-177.6	0	111.5	S703 L704 M705 W709 S710 P717 E721	S703-K707 PolarHBondContact O-N 3.41Å; L704-K707 HydrophobicContact CD1-CD 4.07Å; L704-K707 WeakPolarHBondContact O-CB 3.31Å; L704-K707 PolarHBondContact O-N 2.63Å; M705-K707 VanDerWaalsContact C-N 3.33Å; M705-K707 PolarHBondContact O-N 2.9Å; K707-W709 PolarHBondContact O-N 3.02Å; K707-S710 PolarHBondContact O-N 2.85Å; K707-S710 VanDerWaalsContact O-N 3.16Å; K707-P717 HydrophobicContact CB-CG 4.17Å; K707-E721 IonicContact NZ-OE1 2.81Å
708	C	98.4	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-34.9	176.4	-59.6	0	0	0	0	111.9	V655 L704 M705 S710 R716 L722	V655-C708 HydrophobicContact CG1-CB 4.02Å; L704-C708 PolarHBondContact O-N 3.11Å; L704-C708 PolarHBondContact O-SG 3.1Å; M705-C708 WeakPolarHBondContact O-CA 3.3Å; M705-C708 VanDerWaalsContact O-CB 3.29Å; M705-C708 WeakPolarHBondContact O-CB 3.46Å; M705-C708 PolarHBondContact O-N 3.49Å; M705-C708 VanDerWaalsContact O-N 3.09Å; C708-S710 VanDerWaalsContact C-N 3.32Å; C708-S710 PolarHBondContact O-N 3.03Å; C708-R716 VanDerWaalsContact O-CD 3.29Å; C708-R716 WeakPolarHBondContact O-CD 3.18Å; C708-R716 WeakPolarHBondContact O-CG 3.42Å; C708-L722 VanDerWaalsContact SG-CD2 3.51Å
709	W	98.3	Very high	96.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.015	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	23.8	177.6	-51.3	-40.7	0	0	0	115.1	W656 G659 W663 R690 L691 Y702 M705 T706 K707 Y711	W656-W709 HydrophobicContact CE3-CB 4.22Å; W656-W709 HydrophobicContact CH2-CB 4.09Å; W656-W709 VanDerWaalsContact CZ3-C 3.5Å; W656-W709 HydrophobicContact CZ3-CB 3.92Å; W656-W709 VanDerWaalsContact CZ3-O 3.26Å; W656-W709 WeakPolarHBondContact CZ3-O 3.5Å; G659-W709 VanDerWaalsContact C-NE1 3.34Å; G659-W709 VanDerWaalsContact O-CZ2 3.27Å; G659-W709 WeakPolarHBondContact O-CZ2 3.5Å; W663-W709 HydrophobicContact CB-CH2 4.01Å; W663-W709 HydrophobicContact CB-CZ2 3.9Å; W663-W709 AromaticContact CD1-CH2 3.91Å; W663-W709 HydrophobicContact CG-CH2 4.16Å; W663-W709 HydrophobicContact CG-CZ2 4.41Å; R690-W709 HydrophobicContact CB-CE3 4.14Å; R690-W709 HydrophobicContact CG-CE3 4.46Å; R690-W709 PolarHBondContact NE-O 3.16Å; R690-W709 PolarHBondContact NH2-O 3.22Å; L691-W709 HydrophobicContact CB-CH2 3.78Å; L691-W709 HydrophobicContact CB-CZ2 4.26Å; L691-W709 HydrophobicContact CB-CZ3 4.18Å; L691-W709 HydrophobicContact CD1-CH2 4.31Å; L691-W709 HydrophobicContact CD1-CZ2 3.95Å; Y702-W709 HydrophobicContact CE2-CZ3 4.08Å; M705-W709 HydrophobicContact CB-CE3 4.34Å; M705-W709 HydrophobicContact CB-CH2 3.83Å; M705-W709 HydrophobicContact CB-CZ2 4.15Å; M705-W709 HydrophobicContact CB-CZ3 3.94Å; M705-W709 PolarHBondContact O-N 3.13Å; M705-W709 HydrophobicContact SD-CH2 4.16Å; T706-W709 HydrophobicContact CG2-CE3 4.32Å; T706-W709 HydrophobicContact CG2-CZ3 4.49Å; T706-W709 CarbonylContact O-C 3.29Å; T706-W709 PolarHBondContact O-N 3.25Å; K707-W709 PolarHBondContact O-N 3.02Å; W709-Y711 PolarHBondContact O-N 2.79Å
710	S	97.6	Very high	96.4	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	25%	0.246	C	C	.	.			trans	-54.2	127.4	162.6	170.9	0	0	0	0	109.5	T706 K707 C708 D712 R716	T706-S710 PolarHBondContact O-N 3.45Å; K707-S710 PolarHBondContact O-N 2.85Å; K707-S710 VanDerWaalsContact O-N 3.16Å; C708-S710 VanDerWaalsContact C-N 3.32Å; C708-S710 PolarHBondContact O-N 3.03Å; S710-D712 VanDerWaalsContact C-N 3.25Å; S710-D712 PolarHBondContact O-N 2.71Å; S710-D712 PolarHBondContact OG-N 2.85Å; S710-D712 PolarHBondContact OG-O 3.1Å; S710-R716 PolarHBondContact O-NE 3.04Å; S710-R716 PolarHBondContact O-NH2 3.38Å
711	Y	92.4	Very high	96.5	Very high	37 Å²	37	47.4 Å²	47.4	15%	0.145	24%	0.242	C	C	.	.	S	Bend	trans	-60	-41.7	176.3	-178.1	-83.8	0	0	0	110.7	K223 N226 P641 E686 W709 P713 R716	K223-Y711 HydrophobicContact CD-CE1 3.79Å; K223-Y711 HydrophobicContact CD-CE2 4.4Å; N226-Y711 VanDerWaalsContact CG-OH 3.31Å; N226-Y711 PolarHBondContact ND2-OH 3.36Å; N226-Y711 WeakPolarHBondContact OD1-CE1 3.27Å; N226-Y711 PolarHBondContact OD1-OH 3.45Å; P641-Y711 HydrophobicContact CB-CD2 4.12Å; P641-Y711 HydrophobicContact CB-CE2 3.61Å; P641-Y711 HydrophobicContact CG-CD2 3.9Å; P641-Y711 HydrophobicContact CG-CE2 3.91Å; E686-Y711 HydrophobicContact CG-CE2 3.89Å; W709-Y711 PolarHBondContact O-N 2.79Å; Y711-P713 WeakPolarHBondContact O-CD 3.4Å; Y711-R716 PolarHBondContact O-NH2 2.98Å
712	D	89.9	Confident	96.5	Very high	35 Å²	35	47.4 Å²	47.4	19%	0.187	24%	0.242	C	C	.	.	S	Bend	trans	-73.5	115.1	174.4	-176.4	-15.5	0	0	0	110	S710 S714 K715	S710-D712 VanDerWaalsContact C-N 3.25Å; S710-D712 PolarHBondContact O-N 2.71Å; S710-D712 PolarHBondContact OG-N 2.85Å; S710-D712 PolarHBondContact OG-O 3.1Å; D712-S714 PolarHBondContact O-N 3.01Å; D712-S714 WeakPolarHBondContact OD1-CB 3.27Å; D712-S714 PolarHBondContact OD1-N 3.43Å; D712-S714 VanDerWaalsContact OD1-N 3.11Å; D712-S714 PolarHBondContact OD1-OG 2.93Å; D712-K715 HydrophobicContact CB-CD 4.06Å; D712-K715 HydrophobicContact CB-CG 4.31Å; D712-K715 PolarHBondContact O-N 3.3Å; D712-K715 WeakPolarHBondContact OD2-CD 3.35Å; D712-K715 WeakPolarHBondContact OD2-CE 3.32Å; D712-K715 IonicContact OD2-NZ 3.39Å; D712-K715 PolarHBondContact OD2-NZ 2.91Å; D712-K715 VanDerWaalsContact OD2-NZ 3.13Å
713	P	91.4	Very high	96.5	Very high	38 Å²	38	48.7 Å²	48.7	25%	0.247	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-62.5	-29.6	-177.6	-20.7	32.3	0	0	0	113.3	E642 A652 Y711 K715 R716	E642-P713 HydrophobicContact CG-CG 4.12Å; A652-P713 HydrophobicContact CB-CB 3.99Å; Y711-P713 WeakPolarHBondContact O-CD 3.4Å; P713-K715 PolarHBondContact O-N 3.46Å; P713-R716 PolarHBondContact O-N 3.3Å
714	S	90.4	Very high	96.5	Very high	102 Å²	102	50.3 Å²	50.3	71%	0.713	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-69.9	-13.3	-177	70.8	0	0	0	0	114.1	D712	D712-S714 PolarHBondContact O-N 3.01Å; D712-S714 WeakPolarHBondContact OD1-CB 3.27Å; D712-S714 PolarHBondContact OD1-N 3.43Å; D712-S714 VanDerWaalsContact OD1-N 3.11Å; D712-S714 PolarHBondContact OD1-OG 2.93Å
715	K	96	Very high	96.5	Very high	145 Å²	145	53 Å²	53	63%	0.63	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-105.6	4.2	-179.2	-61.1	177.4	-176.5	158.7	0	113.5	D712 P713	D712-K715 HydrophobicContact CB-CD 4.06Å; D712-K715 HydrophobicContact CB-CG 4.31Å; D712-K715 PolarHBondContact O-N 3.3Å; D712-K715 WeakPolarHBondContact OD2-CD 3.35Å; D712-K715 WeakPolarHBondContact OD2-CE 3.32Å; D712-K715 IonicContact OD2-NZ 3.39Å; D712-K715 PolarHBondContact OD2-NZ 2.91Å; D712-K715 VanDerWaalsContact OD2-NZ 3.13Å; P713-K715 PolarHBondContact O-N 3.46Å
716	R	98.1	Very high	96.5	Very high	18 Å²	18	53 Å²	53	7%	0.068	27%	0.269	C	S	.	.	S	Bend	trans	-79.8	139.6	174	-60.9	177.9	-165.1	150.8	11.4	108.6	E642 A652 V655 C708 S710 Y711 P713	E642-R716 IonicContact OE1-CZ 2.77Å; E642-R716 IonicContact OE1-NH1 3.57Å; E642-R716 PolarHBondContact OE1-NH1 3.13Å; E642-R716 IonicContact OE1-NH2 3.55Å; E642-R716 PolarHBondContact OE1-NH2 3.36Å; E642-R716 IonicContact OE2-CZ 3.47Å; E642-R716 IonicContact OE2-NH1 3.49Å; E642-R716 IonicContact OE2-NH2 2.69Å; E642-R716 PolarHBondContact OE2-NH2 2.96Å; A652-R716 VanDerWaalsContact O-CD 3.26Å; A652-R716 WeakPolarHBondContact O-CD 3.42Å; A652-R716 PolarHBondContact O-NH1 3.24Å; V655-R716 HydrophobicContact CG1-CB 3.92Å; C708-R716 VanDerWaalsContact O-CD 3.29Å; C708-R716 WeakPolarHBondContact O-CD 3.18Å; C708-R716 WeakPolarHBondContact O-CG 3.42Å; S710-R716 PolarHBondContact O-NE 3.04Å; S710-R716 PolarHBondContact O-NH2 3.38Å; Y711-R716 PolarHBondContact O-NH2 2.98Å; P713-R716 PolarHBondContact O-N 3.3Å
717	P	97.9	Very high	96.5	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.065	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66.2	157.1	177.4	29.9	-36.2	0	0	0	110.8	V655 K707 E721 L722	V655-P717 HydrophobicContact CG1-CG 4.49Å; V655-P717 WeakPolarHBondContact CG1-O 3.46Å; V655-P717 WeakPolarHBondContact CG2-O 3.47Å; K707-P717 HydrophobicContact CB-CG 4.17Å; P717-E721 HydrophobicContact CB-CB 4.31Å; P717-E721 HydrophobicContact CB-CG 4.33Å; P717-E721 WeakPolarHBondContact CB-OE2 3.44Å; P717-L722 HydrophobicContact CB-CG 4.25Å; P717-L722 HydrophobicContact CG-CD1 4.21Å; P717-L722 HydrophobicContact CG-CD2 3.82Å; P717-L722 HydrophobicContact CG-CG 3.92Å
718	R	97.4	Very high	96.5	Very high	173 Å²	173	52.4 Å²	52.4	65%	0.653	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-81.3	163.4	172.7	-69.9	-167.4	-176.4	-166.5	-0.4	111.8	T720 E721 L722	R718-T720 PolarHBondContact O-N 3.2Å; R718-E721 WeakPolarHBondContact O-CB 3.37Å; R718-E721 PolarHBondContact O-N 3.38Å; R718-E721 VanDerWaalsContact O-N 3.09Å; R718-L722 WeakPolarHBondContact O-CG 3.32Å; R718-L722 PolarHBondContact O-N 3.22Å
719	F	98.2	Very high	96.5	Very high	4 Å²	4	53 Å²	53	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-29	179.3	-74.6	-66.2	0	0	0	112.8	L584 A585 E588 I597 D654 V655 F658 L722 K723	L584-F719 HydrophobicContact CB-CB 4.43Å; L584-F719 HydrophobicContact CB-CD1 3.49Å; L584-F719 VanDerWaalsContact CB-CD1 3.49Å; L584-F719 HydrophobicContact CB-CD2 3.99Å; L584-F719 HydrophobicContact CB-CE1 3.54Å; L584-F719 HydrophobicContact CB-CE2 4.01Å; L584-F719 HydrophobicContact CB-CG 3.72Å; L584-F719 HydrophobicContact CB-CZ 3.78Å; L584-F719 HydrophobicContact CD1-CD1 4.23Å; L584-F719 HydrophobicContact CD1-CE1 3.55Å; L584-F719 HydrophobicContact CD1-CZ 3.92Å; L584-F719 HydrophobicContact CD2-CZ 4.31Å; L584-F719 HydrophobicContact CG-CD1 4.48Å; L584-F719 HydrophobicContact CG-CE1 4.09Å; L584-F719 HydrophobicContact CG-CZ 4.22Å; A585-F719 HydrophobicContact CB-CB 3.88Å; E588-F719 HydrophobicContact CB-CD2 4.21Å; E588-F719 WeakPolarHBondContact OE2-CB 3.49Å; E588-F719 PolarHBondContact OE2-N 3.31Å; I597-F719 HydrophobicContact CD1-CZ 4.41Å; D654-F719 HydrophobicContact CB-CE2 4.02Å; D654-F719 HydrophobicContact CB-CZ 4.06Å; V655-F719 HydrophobicContact CB-CZ 4.29Å; V655-F719 HydrophobicContact CG2-CD1 4.21Å; V655-F719 HydrophobicContact CG2-CD2 3.91Å; V655-F719 HydrophobicContact CG2-CE1 3.91Å; V655-F719 HydrophobicContact CG2-CE2 3.61Å; V655-F719 HydrophobicContact CG2-CG 4.22Å; V655-F719 HydrophobicContact CG2-CZ 3.62Å; F658-F719 HydrophobicContact CB-CE1 3.7Å; F658-F719 HydrophobicContact CB-CZ 4.11Å; F658-F719 HydrophobicContact CD1-CD1 4.3Å; F658-F719 AromaticContact CD1-CE1 3.75Å; F658-F719 HydrophobicContact CD1-CE1 3.75Å; F658-F719 AromaticContact CG-CE1 3.75Å; F658-F719 HydrophobicContact CG-CE1 3.75Å; F719-L722 HydrophobicContact CD1-CD1 3.83Å; F719-L722 HydrophobicContact CE1-CD1 4.2Å; F719-L722 PolarHBondContact O-N 2.78Å; F719-K723 VanDerWaalsContact O-CB 3.29Å; F719-K723 WeakPolarHBondContact O-CB 3.47Å; F719-K723 PolarHBondContact O-N 3.4Å
720	T	96.5	Very high	96.5	Very high	83 Å²	83	53.5 Å²	53.5	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-37.7	171.3	54.3	0	0	0	0	113.1	A585 R718 T724	A585-T720 HydrophobicContact CB-CG2 4.39Å; R718-T720 PolarHBondContact O-N 3.2Å; T720-T724 PolarHBondContact O-N 3.08Å; T720-T724 PolarHBondContact O-OG1 3.14Å
721	E	97.6	Very high	96.4	Very high	75 Å²	75	56.8 Å²	56.8	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-71.2	-46	174.5	-173	-165.4	152.1	0	0	110.7	K707 P717 R718 K723 T724 Q725	K707-E721 IonicContact NZ-OE1 2.81Å; P717-E721 HydrophobicContact CB-CB 4.31Å; P717-E721 HydrophobicContact CB-CG 4.33Å; P717-E721 WeakPolarHBondContact CB-OE2 3.44Å; R718-E721 WeakPolarHBondContact O-CB 3.37Å; R718-E721 PolarHBondContact O-N 3.38Å; R718-E721 VanDerWaalsContact O-N 3.09Å; E721-K723 PolarHBondContact O-N 3.26Å; E721-T724 WeakPolarHBondContact O-CB 3.43Å; E721-T724 PolarHBondContact O-N 3.4Å; E721-T724 VanDerWaalsContact O-N 3.13Å; E721-Q725 PolarHBondContact O-N 2.79Å; E721-Q725 PolarHBondContact OE1-NE2 3.48Å
722	L	98.4	Very high	96.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.2	-46.9	178.1	-73.1	162.8	0	0	0	112	V655 F658 L704 C708 P717 R718 F719 T724 Q725 L726	V655-L722 HydrophobicContact CG1-CD1 4Å; V655-L722 HydrophobicContact CG2-CD1 4.07Å; F658-L722 HydrophobicContact CD1-CD1 4.03Å; F658-L722 HydrophobicContact CE1-CB 4.43Å; F658-L722 HydrophobicContact CE1-CD1 4.22Å; L704-L722 HydrophobicContact CD1-CD2 3.6Å; L704-L722 HydrophobicContact CD2-CD2 4.08Å; L704-L722 HydrophobicContact CG-CD2 3.67Å; C708-L722 VanDerWaalsContact SG-CD2 3.51Å; P717-L722 HydrophobicContact CB-CG 4.25Å; P717-L722 HydrophobicContact CG-CD1 4.21Å; P717-L722 HydrophobicContact CG-CD2 3.82Å; P717-L722 HydrophobicContact CG-CG 3.92Å; R718-L722 WeakPolarHBondContact O-CG 3.32Å; R718-L722 PolarHBondContact O-N 3.22Å; F719-L722 HydrophobicContact CD1-CD1 3.83Å; F719-L722 HydrophobicContact CE1-CD1 4.2Å; F719-L722 PolarHBondContact O-N 2.78Å; L722-T724 VanDerWaalsContact C-N 3.28Å; L722-T724 PolarHBondContact O-N 2.75Å; L722-Q725 PolarHBondContact O-N 2.82Å; L722-L726 WeakPolarHBondContact O-CB 3.5Å; L722-L726 WeakPolarHBondContact O-CG 3.26Å; L722-L726 PolarHBondContact O-N 2.87Å
723	K	98.1	Very high	96.9	Very high	80 Å²	80	59 Å²	59	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-53.4	-46	173.7	173.8	-179.6	175.7	175.5	0	111.8	Y578 S581 T582 F719 E721 S727	Y578-K723 HydrophobicContact CE2-CG 3.87Å; S581-K723 VanDerWaalsContact OG-CA 3.31Å; S581-K723 WeakPolarHBondContact OG-CA 2.98Å; T582-K723 HydrophobicContact CG2-CD 3.9Å; T582-K723 HydrophobicContact CG2-CG 4.09Å; F719-K723 VanDerWaalsContact O-CB 3.29Å; F719-K723 WeakPolarHBondContact O-CB 3.47Å; F719-K723 PolarHBondContact O-N 3.4Å; E721-K723 PolarHBondContact O-N 3.26Å; K723-S727 WeakPolarHBondContact O-CB 3.41Å; K723-S727 PolarHBondContact O-N 3.35Å
724	T	98	Very high	97	Very high	91 Å²	91	61.6 Å²	61.6	56%	0.558	32%	0.316	S	S	*	.	H	α-helix	trans	-66.3	-48.1	-177.9	-53.6	0	0	0	0	111.2	T720 E721 L722 S727 V728	T720-T724 PolarHBondContact O-N 3.08Å; T720-T724 PolarHBondContact O-OG1 3.14Å; E721-T724 WeakPolarHBondContact O-CB 3.43Å; E721-T724 PolarHBondContact O-N 3.4Å; E721-T724 VanDerWaalsContact O-N 3.13Å; L722-T724 VanDerWaalsContact C-N 3.28Å; L722-T724 PolarHBondContact O-N 2.75Å; T724-S727 WeakPolarHBondContact O-CB 3.44Å; T724-S727 PolarHBondContact O-N 2.93Å; T724-V728 PolarHBondContact O-N 2.13Å
725	Q	98.1	Very high	97.2	Very high	58 Å²	58	58.6 Å²	58.6	27%	0.271	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-37.6	178.9	-77.7	168.7	51.3	0	0	112.4	L704 E721 L722 V728 I729	L704-Q725 HydrophobicContact CD1-CB 4.22Å; L704-Q725 VanDerWaalsContact CD1-OE1 3.25Å; L704-Q725 HydrophobicContact CD2-CB 3.88Å; E721-Q725 PolarHBondContact O-N 2.79Å; E721-Q725 PolarHBondContact OE1-NE2 3.48Å; L722-Q725 PolarHBondContact O-N 2.82Å; Q725-V728 PolarHBondContact O-N 2.89Å; Q725-I729 WeakPolarHBondContact O-CD1 3.44Å; Q725-I729 VanDerWaalsContact O-CG1 3.29Å; Q725-I729 WeakPolarHBondContact O-CG1 3.24Å; Q725-I729 PolarHBondContact O-N 3.42Å; Q725-I729 VanDerWaalsContact O-N 3.11Å
726	L	98.4	Very high	97	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-35.6	173.7	-74.5	165.1	0	0	0	112.7	Y578 F658 M662 L701 L704 L722 V728 L730	Y578-L726 HydrophobicContact CD2-CB 4.14Å; F658-L726 HydrophobicContact CE1-CD1 4.08Å; F658-L726 HydrophobicContact CZ-CD1 3.8Å; M662-L726 HydrophobicContact SD-CD1 4.07Å; M662-L726 HydrophobicContact SD-CD2 4.12Å; L701-L726 HydrophobicContact CD1-CD2 3.56Å; L704-L726 HydrophobicContact CD2-CD2 4.1Å; L704-L726 HydrophobicContact CD2-CG 3.86Å; L722-L726 WeakPolarHBondContact O-CB 3.5Å; L722-L726 WeakPolarHBondContact O-CG 3.26Å; L722-L726 PolarHBondContact O-N 2.87Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 3.14Å; L726-L730 VanDerWaalsContact O-CB 3.22Å; L726-L730 WeakPolarHBondContact O-CB 3.45Å; L726-L730 PolarHBondContact O-N 3.34Å
727	S	98.2	Very high	96.5	Very high	45 Å²	45	56.8 Å²	56.8	32%	0.315	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-38	176.2	-163.9	0	0	0	0	112.5	K723 T724 T731	K723-S727 WeakPolarHBondContact O-CB 3.41Å; K723-S727 PolarHBondContact O-N 3.35Å; T724-S727 WeakPolarHBondContact O-CB 3.44Å; T724-S727 PolarHBondContact O-N 2.93Å; S727-T731 PolarHBondContact O-N 3.42Å; S727-T731 PolarHBondContact O-OG1 3.08Å
728	V	98.1	Very high	96.2	Very high	77 Å²	77	62.7 Å²	62.7	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-53.6	176.2	175.4	0	0	0	0	110	T724 Q725 L726 L730 T731 E732	T724-V728 PolarHBondContact O-N 2.13Å; Q725-V728 PolarHBondContact O-N 2.89Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 3.14Å; V728-L730 VanDerWaalsContact C-N 3.26Å; V728-L730 PolarHBondContact O-N 2.64Å; V728-T731 WeakPolarHBondContact O-CA 3.49Å; V728-T731 WeakPolarHBondContact O-CB 3.32Å; V728-T731 PolarHBondContact O-N 3.18Å; V728-E732 HydrophobicContact CG1-CG 4.37Å; V728-E732 WeakPolarHBondContact CG1-OE1 3.41Å; V728-E732 WeakPolarHBondContact O-CG 3.32Å; V728-E732 PolarHBondContact O-N 3.31Å
729	I	97.6	Very high	95.9	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-37.6	179.9	-65.8	166	0	0	0	111.9	I574 L701 L704 Q725 T731 E733	I574-I729 HydrophobicContact CD1-CG2 4.17Å; I574-I729 HydrophobicContact CG2-CG2 4.31Å; L701-I729 HydrophobicContact CB-CD1 4.43Å; L701-I729 HydrophobicContact CB-CG2 4.34Å; L704-I729 HydrophobicContact CD2-CD1 4.39Å; Q725-I729 WeakPolarHBondContact O-CD1 3.44Å; Q725-I729 VanDerWaalsContact O-CG1 3.29Å; Q725-I729 WeakPolarHBondContact O-CG1 3.24Å; Q725-I729 PolarHBondContact O-N 3.42Å; Q725-I729 VanDerWaalsContact O-N 3.11Å; I729-T731 VanDerWaalsContact C-N 3.34Å; I729-E733 PolarHBondContact O-N 2.95Å
730	L	97.6	Very high	95.4	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-35.6	175.1	-179	58.2	0	0	0	112.8	A571 I574 L575 Y578 L726 V728 K734	A571-L730 WeakPolarHBondContact O-CD1 3.39Å; I574-L730 HydrophobicContact CB-CD1 4.11Å; I574-L730 HydrophobicContact CG2-CB 3.8Å; I574-L730 HydrophobicContact CG2-CD1 3.96Å; I574-L730 HydrophobicContact CG2-CG 4.43Å; L575-L730 HydrophobicContact CB-CD1 4.13Å; L575-L730 HydrophobicContact CB-CD2 4.38Å; L575-L730 HydrophobicContact CD1-CD2 3.93Å; Y578-L730 HydrophobicContact CD1-CD2 4.1Å; Y578-L730 HydrophobicContact CG-CD2 4.21Å; L726-L730 VanDerWaalsContact O-CB 3.22Å; L726-L730 WeakPolarHBondContact O-CB 3.45Å; L726-L730 PolarHBondContact O-N 3.34Å; V728-L730 VanDerWaalsContact C-N 3.26Å; V728-L730 PolarHBondContact O-N 2.64Å; L730-K734 WeakPolarHBondContact O-CB 3.37Å; L730-K734 VanDerWaalsContact O-CG 3.31Å; L730-K734 WeakPolarHBondContact O-CG 2.94Å; L730-K734 PolarHBondContact O-N 3.35Å
731	T	97	Very high	95	Very high	96 Å²	96	66.1 Å²	66.1	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-73.9	-41.9	179.3	-53.5	0	0	0	0	110.5	S727 V728 I729 K734 G735	S727-T731 PolarHBondContact O-N 3.42Å; S727-T731 PolarHBondContact O-OG1 3.08Å; V728-T731 WeakPolarHBondContact O-CA 3.49Å; V728-T731 WeakPolarHBondContact O-CB 3.32Å; V728-T731 PolarHBondContact O-N 3.18Å; I729-T731 VanDerWaalsContact C-N 3.34Å; T731-K734 PolarHBondContact O-N 3.09Å; T731-G735 PolarHBondContact O-N 2.86Å; T731-G735 VanDerWaalsContact O-N 3.09Å
732	E	95.8	Very high	94.6	Very high	101 Å²	101	70.6 Å²	70.6	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-52	173.5	-68.2	170.6	169.1	0	0	111.6	V728 K734 G735 L736	V728-E732 HydrophobicContact CG1-CG 4.37Å; V728-E732 WeakPolarHBondContact CG1-OE1 3.41Å; V728-E732 WeakPolarHBondContact O-CG 3.32Å; V728-E732 PolarHBondContact O-N 3.31Å; E732-K734 VanDerWaalsContact C-N 3.33Å; E732-K734 PolarHBondContact O-N 2.64Å; E732-G735 PolarHBondContact O-N 3.13Å; E732-L736 WeakPolarHBondContact O-CG 3.4Å; E732-L736 PolarHBondContact O-N 2.75Å
733	E	95.3	Very high	94.1	Very high	17 Å²	17	74.3 Å²	74.3	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-66.5	-33.2	-178.4	-174.6	57.3	-139.6	0	0	112.6	L570 A571 I574 I729 L736 Q737 R740	L570-E733 HydrophobicContact CB-CG 4.42Å; L570-E733 HydrophobicContact CD2-CG 4.09Å; L570-E733 HydrophobicContact CG-CG 4.08Å; A571-E733 HydrophobicContact CB-CG 4.37Å; I574-E733 HydrophobicContact CD1-CB 4.03Å; I574-E733 HydrophobicContact CD1-CG 4.07Å; I729-E733 PolarHBondContact O-N 2.95Å; E733-L736 PolarHBondContact O-N 3.44Å; E733-Q737 WeakPolarHBondContact O-CB 3.04Å; E733-Q737 PolarHBondContact O-N 3.03Å; E733-R740 IonicContact OE1-CZ 3.07Å; E733-R740 VanDerWaalsContact OE1-CZ 3.23Å; E733-R740 IonicContact OE1-NH1 3.41Å; E733-R740 PolarHBondContact OE1-NH1 3.4Å; E733-R740 IonicContact OE1-NH2 2.73Å; E733-R740 PolarHBondContact OE1-NH2 3.36Å
734	K	94.3	Very high	93.5	Very high	93 Å²	93	75.9 Å²	75.9	40%	0.404	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-45.1	172.5	-80.6	-176.8	175.1	-166.3	0	112.1	A571 L730 T731 E732 L736 Q737 E738	A571-K734 HydrophobicContact CB-CG 4.24Å; L730-K734 WeakPolarHBondContact O-CB 3.37Å; L730-K734 VanDerWaalsContact O-CG 3.31Å; L730-K734 WeakPolarHBondContact O-CG 2.94Å; L730-K734 PolarHBondContact O-N 3.35Å; T731-K734 PolarHBondContact O-N 3.09Å; E732-K734 VanDerWaalsContact C-N 3.33Å; E732-K734 PolarHBondContact O-N 2.64Å; K734-L736 VanDerWaalsContact C-N 3.34Å; K734-L736 PolarHBondContact O-N 3.11Å; K734-Q737 WeakPolarHBondContact O-CB 3.34Å; K734-Q737 PolarHBondContact O-N 3.45Å; K734-Q737 VanDerWaalsContact O-N 3.12Å; K734-E738 WeakPolarHBondContact O-CG 3.19Å; K734-E738 PolarHBondContact O-N 2.94Å
735	G	94.1	Very high	92.8	Very high	38 Å²	38	77.9 Å²	77.9	39%	0.392	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-44.5	174.7	0	0	0	0	0	112.2	T731 E732 Q737 E738 E739	T731-G735 PolarHBondContact O-N 2.86Å; T731-G735 VanDerWaalsContact O-N 3.09Å; E732-G735 PolarHBondContact O-N 3.13Å; G735-Q737 VanDerWaalsContact C-N 3.32Å; G735-Q737 PolarHBondContact O-N 3.33Å; G735-E738 PolarHBondContact O-N 3.49Å; G735-E739 WeakPolarHBondContact O-CB 3.17Å; G735-E739 PolarHBondContact O-N 2.91Å
736	L	91.4	Very high	92.1	Very high	84 Å²	84	81.5 Å²	81.5	44%	0.44	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-34.9	174.5	-66.8	171.7	0	0	0	112.5	E732 E733 K734 R740	E732-L736 WeakPolarHBondContact O-CG 3.4Å; E732-L736 PolarHBondContact O-N 2.75Å; E733-L736 PolarHBondContact O-N 3.44Å; K734-L736 VanDerWaalsContact C-N 3.34Å; K734-L736 PolarHBondContact O-N 3.11Å; L736-R740 WeakPolarHBondContact O-CB 3.23Å; L736-R740 WeakPolarHBondContact O-CG 3.4Å; L736-R740 PolarHBondContact O-N 3.19Å; L736-R740 PolarHBondContact O-NE 3.12Å
737	Q	89.3	Confident	91.1	Very high	42 Å²	42	89.3 Å²	89.3	20%	0.196	43%	0.425	C	S	.	.	H	α-helix	trans	-68.9	-44.4	175.8	-177.4	166.2	-8.4	0	0	112.3	D569 E733 K734 G735 E739 R740 L741	D569-Q737 PolarHBondContact OD2-NE2 2.89Å; E733-Q737 WeakPolarHBondContact O-CB 3.04Å; E733-Q737 PolarHBondContact O-N 3.03Å; K734-Q737 WeakPolarHBondContact O-CB 3.34Å; K734-Q737 PolarHBondContact O-N 3.45Å; K734-Q737 VanDerWaalsContact O-N 3.12Å; G735-Q737 VanDerWaalsContact C-N 3.32Å; G735-Q737 PolarHBondContact O-N 3.33Å; Q737-E739 VanDerWaalsContact C-N 3.33Å; Q737-R740 PolarHBondContact O-N 3.44Å; Q737-L741 HydrophobicContact CG-CD1 4.14Å; Q737-L741 WeakPolarHBondContact O-CB 3.32Å; Q737-L741 WeakPolarHBondContact O-CG 3.27Å; Q737-L741 PolarHBondContact O-N 3.23Å
738	E	90.7	Very high	89.6	Confident	134 Å²	134	93.1 Å²	93.1	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-62.7	-39.5	174.7	-72.3	175.5	-157.2	0	0	111.6	K734 G735 L741 R742	K734-E738 WeakPolarHBondContact O-CG 3.19Å; K734-E738 PolarHBondContact O-N 2.94Å; G735-E738 PolarHBondContact O-N 3.49Å; E738-L741 PolarHBondContact O-N 2.73Å; E738-R742 VanDerWaalsContact O-CB 3.25Å; E738-R742 WeakPolarHBondContact O-CB 3.43Å; E738-R742 PolarHBondContact O-N 2.88Å
739	E	91.1	Very high	87.9	Confident	109 Å²	109	93.7 Å²	93.7	51%	0.509	44%	0.441	S	S	.	.	H	α-helix	trans	-64.4	-45.9	174.4	-177.5	161.5	-125.3	0	0	112.3	G735 Q737 L741 R742 E743	G735-E739 WeakPolarHBondContact O-CB 3.17Å; G735-E739 PolarHBondContact O-N 2.91Å; Q737-E739 VanDerWaalsContact C-N 3.33Å; E739-L741 PolarHBondContact O-N 3.44Å; E739-R742 CarbonylContact O-C 3.54Å; E739-R742 PolarHBondContact O-N 3.03Å; E739-R742 VanDerWaalsContact O-N 3.16Å; E739-E743 PolarHBondContact O-N 2.71Å
740	R	88.8	Confident	85.9	Confident	122 Å²	122	98.4 Å²	98.4	46%	0.46	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-43.8	175.7	-71.4	177.1	-48.7	-125	9.2	112	E733 L736 Q737 E743 E744	E733-R740 IonicContact OE1-CZ 3.07Å; E733-R740 VanDerWaalsContact OE1-CZ 3.23Å; E733-R740 IonicContact OE1-NH1 3.41Å; E733-R740 PolarHBondContact OE1-NH1 3.4Å; E733-R740 IonicContact OE1-NH2 2.73Å; E733-R740 PolarHBondContact OE1-NH2 3.36Å; L736-R740 WeakPolarHBondContact O-CB 3.23Å; L736-R740 WeakPolarHBondContact O-CG 3.4Å; L736-R740 PolarHBondContact O-N 3.19Å; L736-R740 PolarHBondContact O-NE 3.12Å; Q737-R740 PolarHBondContact O-N 3.44Å; R740-E743 PolarHBondContact O-N 2.59Å; R740-E744 PolarHBondContact O-N 3.42Å
741	L	87.8	Confident	84	Confident	101 Å²	101	103.1 Å²	103.1	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.2	-76.5	163.7	0	0	0	111.7	Q737 E738 E739 E744 M745	Q737-L741 HydrophobicContact CG-CD1 4.14Å; Q737-L741 WeakPolarHBondContact O-CB 3.32Å; Q737-L741 WeakPolarHBondContact O-CG 3.27Å; Q737-L741 PolarHBondContact O-N 3.23Å; E738-L741 PolarHBondContact O-N 2.73Å; E739-L741 PolarHBondContact O-N 3.44Å; L741-E744 PolarHBondContact O-N 3.47Å; L741-M745 WeakPolarHBondContact O-CB 3.42Å; L741-M745 PolarHBondContact O-N 3.42Å
742	R	89.4	Confident	81.6	Confident	168 Å²	168	103.2 Å²	103.2	63%	0.634	51%	0.505	S	S	*	.	H	α-helix	trans	-68.7	-35.2	178.8	-165.6	176.2	-170.4	179.5	3.7	112.5	E738 E739 R746	E738-R742 VanDerWaalsContact O-CB 3.25Å; E738-R742 WeakPolarHBondContact O-CB 3.43Å; E738-R742 PolarHBondContact O-N 2.88Å; E739-R742 CarbonylContact O-C 3.54Å; E739-R742 PolarHBondContact O-N 3.03Å; E739-R742 VanDerWaalsContact O-N 3.16Å; R742-R746 VanDerWaalsContact O-CG 3.24Å; R742-R746 WeakPolarHBondContact O-CG 3.28Å; R742-R746 PolarHBondContact O-N 3.06Å
743	E	87	Confident	79.5	Confident	79 Å²	79	109.2 Å²	109.2	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-46.1	169.6	-78.8	-154.2	178.1	0	0	112.6	E739 R740 M745 R746 R747	E739-E743 PolarHBondContact O-N 2.71Å; R740-E743 PolarHBondContact O-N 2.59Å; E743-M745 VanDerWaalsContact C-N 3.32Å; E743-M745 PolarHBondContact O-N 3.39Å; E743-R746 WeakPolarHBondContact O-CB 3.34Å; E743-R746 PolarHBondContact O-N 2.84Å; E743-R747 VanDerWaalsContact O-CG 3.28Å; E743-R747 WeakPolarHBondContact O-CG 3.44Å; E743-R747 PolarHBondContact O-N 3.46Å; E743-R747 IonicContact OE2-CZ 2.66Å; E743-R747 IonicContact OE2-NE 2.76Å; E743-R747 IonicContact OE2-NH2 3.1Å; E743-R747 PolarHBondContact OE2-NH2 3.03Å
744	E	85.2	Confident	77.2	Confident	112 Å²	112	115.5 Å²	115.5	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-41.6	178.8	-175.6	158.2	-147.6	0	0	111.2	R740 L741 R746 R747 Q748	R740-E744 PolarHBondContact O-N 3.42Å; L741-E744 PolarHBondContact O-N 3.47Å; E744-R746 PolarHBondContact O-N 3.23Å; E744-R747 PolarHBondContact O-N 2.91Å; E744-Q748 WeakPolarHBondContact O-CG 3.32Å; E744-Q748 PolarHBondContact O-N 2.84Å
745	M	83.1	Confident	75	Confident	134 Å²	134	116.5 Å²	116.5	66%	0.66	58%	0.576	S	S	*	*	H	α-helix	trans	-62.9	-41.5	174.4	-161	177.7	-162.7	0	0	112.5	L741 E743 R747 Q748 V749	L741-M745 WeakPolarHBondContact O-CB 3.42Å; L741-M745 PolarHBondContact O-N 3.42Å; E743-M745 VanDerWaalsContact C-N 3.32Å; E743-M745 PolarHBondContact O-N 3.39Å; M745-R747 PolarHBondContact O-N 3.36Å; M745-Q748 PolarHBondContact O-N 3.49Å; M745-V749 WeakPolarHBondContact O-CG2 3.42Å; M745-V749 PolarHBondContact O-N 3.02Å; M745-V749 VanDerWaalsContact O-N 3.1Å
746	R	84.9	Confident	72.9	Confident	133 Å²	133	118.8 Å²	118.8	50%	0.502	60%	0.599	S	S	.	*	H	α-helix	trans	-58.5	-46.8	171.6	-74.5	165.2	-179.9	144.4	-8.6	111.4	R742 E743 E744 Q748 V749 T750	R742-R746 VanDerWaalsContact O-CG 3.24Å; R742-R746 WeakPolarHBondContact O-CG 3.28Å; R742-R746 PolarHBondContact O-N 3.06Å; E743-R746 WeakPolarHBondContact O-CB 3.34Å; E743-R746 PolarHBondContact O-N 2.84Å; E744-R746 PolarHBondContact O-N 3.23Å; R746-Q748 VanDerWaalsContact C-N 3.34Å; R746-Q748 PolarHBondContact O-N 3.4Å; R746-V749 PolarHBondContact O-N 3.04Å; R746-T750 PolarHBondContact O-N 3Å; R746-T750 VanDerWaalsContact O-N 3.13Å; R746-T750 PolarHBondContact O-OG1 2.94Å; R746-T750 VanDerWaalsContact O-OG1 3.09Å
747	R	77.6	Confident	70.4	Confident	164 Å²	164	118 Å²	118	62%	0.619	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-37.9	-179.8	-67.9	169.9	-165.6	-164.1	6	112	E743 E744 M745 T750 V751	E743-R747 VanDerWaalsContact O-CG 3.28Å; E743-R747 WeakPolarHBondContact O-CG 3.44Å; E743-R747 PolarHBondContact O-N 3.46Å; E743-R747 IonicContact OE2-CZ 2.66Å; E743-R747 IonicContact OE2-NE 2.76Å; E743-R747 IonicContact OE2-NH2 3.1Å; E743-R747 PolarHBondContact OE2-NH2 3.03Å; E744-R747 PolarHBondContact O-N 2.91Å; M745-R747 PolarHBondContact O-N 3.36Å; R747-T750 PolarHBondContact O-N 2.66Å; R747-V751 WeakPolarHBondContact O-CG2 3.06Å
748	Q	66.1	Low	68.2	Low	125 Å²	125	121.6 Å²	121.6	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-64.7	-42.6	174.4	-71.4	176.2	12	0	0	112	E744 M745 R746 T750 V751	E744-Q748 WeakPolarHBondContact O-CG 3.32Å; E744-Q748 PolarHBondContact O-N 2.84Å; M745-Q748 PolarHBondContact O-N 3.49Å; R746-Q748 VanDerWaalsContact C-N 3.34Å; R746-Q748 PolarHBondContact O-N 3.4Å; Q748-T750 PolarHBondContact O-N 2.68Å; Q748-V751 PolarHBondContact O-N 3.08Å
749	V	61.4	Low	66.3	Low	90 Å²	90	123.5 Å²	123.5	55%	0.545	66%	0.656	S	S	.	*	H	α-helix	trans	-62.2	-39.5	177.1	171.2	0	0	0	0	112.1	M745 R746 V751 S752	M745-V749 WeakPolarHBondContact O-CG2 3.42Å; M745-V749 PolarHBondContact O-N 3.02Å; M745-V749 VanDerWaalsContact O-N 3.1Å; R746-V749 PolarHBondContact O-N 3.04Å; V749-V751 VanDerWaalsContact C-N 3.27Å; V749-V751 PolarHBondContact O-N 2.93Å; V749-S752 PolarHBondContact O-N 3.38Å
750	T	56.8	Low	63.8	Low	111 Å²	111	126.7 Å²	126.7	68%	0.681	67%	0.671	S	S	*	*	H	α-helix	trans	-63.4	-29.8	179	-48.6	0	0	0	0	113.3	R746 R747 Q748	R746-T750 PolarHBondContact O-N 3Å; R746-T750 VanDerWaalsContact O-N 3.13Å; R746-T750 PolarHBondContact O-OG1 2.94Å; R746-T750 VanDerWaalsContact O-OG1 3.09Å; R747-T750 PolarHBondContact O-N 2.66Å; Q748-T750 PolarHBondContact O-N 2.68Å
751	V	56.3	Low	61.7	Low	113 Å²	113	124.8 Å²	124.8	69%	0.685	68%	0.682	S	S	*	*	H	α-helix	trans	-78.4	-19.5	-179.7	176.2	0	0	0	0	112.5	R747 Q748 V749 W753	R747-V751 WeakPolarHBondContact O-CG2 3.06Å; Q748-V751 PolarHBondContact O-N 3.08Å; V749-V751 VanDerWaalsContact C-N 3.27Å; V749-V751 PolarHBondContact O-N 2.93Å; V751-W753 PolarHBondContact O-N 3.23Å
752	S	47.1	Very low	60	Low	98 Å²	98	125.5 Å²	125.5	69%	0.685	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-4.6	-173.1	-167.6	0	0	0	0	115.8	V749	V749-S752 PolarHBondContact O-N 3.38Å
753	W	52.9	Low	57.9	Low	226 Å²	226	123.4 Å²	123.4	86%	0.856	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-16.1	-175.6	-76.8	82.2	0	0	0	114.6	V751 S755	V751-W753 PolarHBondContact O-N 3.23Å; W753-S755 PolarHBondContact O-N 3.42Å
754	D	46.4	Very low	55.5	Low	150 Å²	150	129 Å²	129	80%	0.802	72%	0.723	S	S	*	*	S	Bend	trans	-98.8	48.8	-172.2	-163.3	23.7	0	0	0	112.4
755	S	48.7	Very low	53.5	Low	114 Å²	114	129.7 Å²	129.7	80%	0.797	74%	0.737	S	S	*	*	S	Bend	trans	-151.8	57.9	-176.2	-75.2	0	0	0	0	114.5	W753	W753-S755 PolarHBondContact O-N 3.42Å
756	G	48.7	Very low	51.4	Low	85 Å²	85	128.9 Å²	128.9	88%	0.876	75%	0.745	S	S	*	*			trans	87.7	94.7	149.2	0	0	0	0	0	117.8
757	G	39.6	Very low	49.3	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	76%	0.76	S	S	*	*			trans	-171.4	88.7	168.9	0	0	0	0	0	113.9
758	S	42.6	Very low	47.5	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	77%	0.768	S	S	*	*			trans	48.4	122.5	167.2	52.5	0	0	0	0	119.5	E760	S758-E760 PolarHBondContact O-N 3.16Å
759	D	51.1	Low	45.9	Very low	173 Å²	173	127.7 Å²	127.7	93%	0.925	77%	0.77	S	S	*	*			trans	-72.1	89	170.2	-177.1	25.1	0	0	0	111.7
760	E	39.5	Very low	44.6	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.822	78%	0.782	S	S	*	*			trans	-138	118.4	164.8	-170.1	165.1	-169.7	0	0	110.7	S758	S758-E760 PolarHBondContact O-N 3.16Å
761	A	44	Very low	43.8	Very low	83 Å²	83	133.4 Å²	133.4	69%	0.686	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-77.1	134.7	-174.6	0	0	0	0	0	111.8
762	P	52.5	Low	42.8	Very low	116 Å²	116	133 Å²	133	75%	0.753	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.6	140.2	-178.7	25.6	-34.2	0	0	0	111.7	K764	P762-K764 PolarHBondContact O-N 3.37Å
763	P	43.4	Very low	42.6	Very low	123 Å²	123	133.4 Å²	133.4	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-65.1	136.2	-176.1	25.9	-34.3	0	0	0	111.6
764	K	38.6	Very low	41.4	Very low	198 Å²	198	133.8 Å²	133.8	86%	0.861	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.1	129.8	179.7	-68.5	174.2	-179.9	170.6	0	110.6	P762 S766	P762-K764 PolarHBondContact O-N 3.37Å; K764-S766 PolarHBondContact O-N 2.92Å
765	P	42.1	Very low	40.6	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.2	129.1	171.4	26.1	-32.9	0	0	0	110.3
766	S	39.1	Very low	39.8	Very low	117 Å²	117	130.8 Å²	130.8	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-63.1	133.4	-179.7	-64.7	0	0	0	0	111.7	K764 P768	K764-S766 PolarHBondContact O-N 2.92Å; S766-P768 WeakPolarHBondContact O-CD 3.39Å
767	R	41.5	Very low	38.8	Very low	214 Å²	214	135.2 Å²	135.2	81%	0.808	78%	0.784	S	S	*	*			trans	-87.6	115.2	-178.5	-174.3	-171.3	-166.4	-156.9	6.5	111.1
768	P	40.1	Very low	38.2	Very low	121 Å²	121	136.4 Å²	136.4	79%	0.786	78%	0.781	S	S	*	*			trans	-64.7	139.5	164.1	-16.7	32.3	0	0	0	109.9	S766	S766-P768 WeakPolarHBondContact O-CD 3.39Å
769	G	32.3	Very low	37.6	Very low	62 Å²	62	139.3 Å²	139.3	64%	0.639	78%	0.779	S	S	*	*			trans	-87.8	151.5	-176.8	0	0	0	0	0	114.1
770	Y	34	Very low	36.5	Very low	205 Å²	205	140.8 Å²	140.8	80%	0.804	78%	0.778	S	S	*	*			trans	27.9	149.5	140.6	-80.2	-98.3	0	0	0	121.4
771	P	39.4	Very low	36	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	77%	0.774	S	S	*	*			cis	-134.8	176	21.9	39.7	-21.8	0	0	0	116.7
772	S	34.1	Very low	35.4	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	78%	0.775	S	S	*	*			trans	-103.9	148.8	157.4	-166.2	0	0	0	0	107.9
773	P	43.4	Very low	34.5	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	77%	0.771	S	S	*	*				-154	161.3	91.5	40.1	-22	0	0	0	117.9
774	R	28.9	Very low	33.9	Very low	234 Å²	234	143.2 Å²	143.2	88%	0.883	77%	0.768	S	S	*	*			trans	69.8	134.2	149.3	-76.1	170.8	174.5	175.7	-2.2	121.8
775	A	28.3	Very low	33.3	Very low	95 Å²	95	140.8 Å²	140.8	79%	0.785	76%	0.76	S	S	*	*			trans	65.3	156.5	139	0	0	0	0	0	118.6
776	S	32.3	Very low	33.4	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	76%	0.758	S	S	*	*			cis	-163.9	161.2	-18.7	43.3	0	0	0	0	109.7
777	E	28.7	Very low	32.9	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	75%	0.752	S	S	*	*			trans	19.9	131.4	153.7	-62.9	-171.6	159.1	0	0	122.7
778	S	26.8	Very low	33.2	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	75%	0.753	S	S	*	*			trans	80.2	125.1	131.2	-67.4	0	0	0	0	123.2
779	F	29.2	Very low	32.7	Very low	177 Å²	177	133.8 Å²	133.8	78%	0.776	76%	0.756	S	S	*	*			trans	35	131.2	139.5	-63.7	-85.7	0	0	0	121.7
780	F	28.7	Very low	32.6	Very low	205 Å²	205	134.4 Å²	134.4	90%	0.899	76%	0.763	S	S	*	*				178.7	155.1	98.4	-95.9	-67.8	0	0	0	112.8
781	S	28	Very low	32.4	Very low	104 Å²	104	132 Å²	132	73%	0.727	77%	0.769	S	S	*	*			trans	-99.9	161.8	171.9	-37.2	0	0	0	0	111.2
782	N	32.8	Very low	31.9	Very low	133 Å²	133	130.1 Å²	130.1	71%	0.711	77%	0.771	S	S	*	*				179.7	166.6	120.9	-118.4	-49.6	0	0	0	118.7
783	H	33.8	Very low	31.6	Very low	146 Å²	146	128.8 Å²	128.8	68%	0.676	77%	0.774	S	S	*	*			trans	79.2	143	144	-74.6	9	0	0	0	121.3
784	F	29.9	Very low	30.9	Very low	166 Å²	166	131.1 Å²	131.1	73%	0.728	79%	0.785	S	S	*	*			cis	-162.9	-178.3	-19.3	-141.2	-130.8	0	0	0	113.4
785	Q	26.8	Very low	30.8	Very low	147 Å²	147	123.7 Å²	123.7	69%	0.687	78%	0.782	S	S	*	*			trans	-52.4	177.2	177.3	-95.6	-177.1	-6.3	0	0	118.3
786	P	43.3	Very low	30.7	Very low	120 Å²	120	123 Å²	123	78%	0.779	78%	0.784	S	S	*	*			cis	-145.2	179.8	30.5	42.5	-21	0	0	0	120.7
787	S	28.6	Very low	30.5	Very low	99 Å²	99	122 Å²	122	69%	0.692	78%	0.777	S	S	*	*			trans	-92.5	-158.9	175.3	-35.1	0	0	0	0	111.5
788	P	47	Very low	30.5	Very low	127 Å²	127	124.2 Å²	124.2	83%	0.825	78%	0.779	S	S	*	*			cis	-144.2	169.1	2.6	42.7	-22.9	0	0	0	120.1
789	G	30.4	Very low	30.4	Very low	84 Å²	84	124.2 Å²	124.2	87%	0.866	78%	0.779	S	S	*	*				105.6	146.3	127.5	0	0	0	0	0	120.8
790	G	29.7	Very low	30.2	Very low	75 Å²	75	120.8 Å²	120.8	77%	0.773	78%	0.777	S	S	*	*			trans	135.1	45.8	149.5	0	0	0	0	0	123.2
791	V	30.8	Very low	30.2	Very low	155 Å²	155	115.9 Å²	115.9	94%	0.939	77%	0.768	S	S	*	*			trans	25.5	123	148.7	-173	0	0	0	0	121.2
792	G	28.8	Very low	30.2	Very low	76 Å²	76	118.3 Å²	118.3	78%	0.784	77%	0.773	S	S	*	*				127.9	130.2	126.3	0	0	0	0	0	121.3
793	G	28.2	Very low	29.9	Very low	76 Å²	76	116.8 Å²	116.8	78%	0.784	77%	0.773	S	S	*	*			trans	107.4	87.9	134.4	0	0	0	0	0	121.3
794	V	28.6	Very low	29.6	Very low	155 Å²	155	120.7 Å²	120.7	94%	0.939	78%	0.782	S	S	*	*			trans	26.6	131	134.9	-173.3	0	0	0	0	121
795	G	26.7	Very low	29.6	Very low	78 Å²	78	117.8 Å²	117.8	80%	0.804	77%	0.774	S	S	*	*			trans	137.3	119.7	143.8	0	0	0	0	0	115.3
796	G	26.2	Very low	29.7	Very low	81 Å²	81	118 Å²	118	84%	0.835	78%	0.775	S	S	*	*			trans	-115.2	177.8	-178.5	0	0	0	0	0	115
797	S	27.6	Very low	29	Very low	86 Å²	86	120 Å²	120	60%	0.601	78%	0.778	S	S	*	*			trans	135.8	145.8	131.9	-157.6	0	0	0	0	116.1
798	Y	28.3	Very low	28.9	Very low	224 Å²	224	124.3 Å²	124.3	88%	0.878	78%	0.78	S	S	*	*			trans	66.3	161.2	165.2	-52	-60.2	0	0	0	118.6
799	S	25.2	Very low	28.5	Very low	94 Å²	94	123.6 Å²	123.6	66%	0.657	78%	0.775	S	S	*	*			cis	-173.7	151.4	-37.4	-170.1	0	0	0	0	109.4
800	S	25.2	Very low	28.4	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	76%	0.762	S	S	*	*			trans	60.5	119.2	157.3	-52.4	0	0	0	0	118.2
801	S	28	Very low	28.3	Very low	101 Å²	101	131.5 Å²	131.5	71%	0.706	77%	0.769	S	S	*	*				93.1	120.5	71.8	-168.8	0	0	0	0	112.9
802	D	27.7	Very low	28.1	Very low	155 Å²	155	128.7 Å²	128.7	83%	0.829	76%	0.761	S	S	*	*				178.5	172.7	117.1	-90.8	4.2	0	0	0	112.5
803	S	27.3	Very low	28.4	Very low	102 Å²	102	131 Å²	131	71%	0.713	76%	0.763	S	S	*	*			trans	-133.8	145	-159.9	176.7	0	0	0	0	113.6
804	W	27.5	Very low	28.4	Very low	227 Å²	227	135.3 Å²	135.3	86%	0.86	77%	0.767	S	S	*	*			trans	-143.4	113.5	166.9	-81.6	91.1	0	0	0	112.9
805	N	30.7	Very low	28.3	Very low	106 Å²	106	139.5 Å²	139.5	57%	0.567	77%	0.766	S	S	*	*				26.3	143	120.9	-66	-45	0	0	0	119.5
806	Q	28.7	Very low	28.4	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	77%	0.769	S	S	*	*			cis	-173.3	177.5	-3	-127.3	177.2	64.2	0	0	111.4
807	L	28.6	Very low	29.1	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	76%	0.761	S	S	*	*			trans	81.3	136.3	153.5	-73.4	156.1	0	0	0	122.3
808	R	25	Very low	29.3	Very low	191 Å²	191	146.8 Å²	146.8	72%	0.721	77%	0.772	S	S	*	*			trans	-103.6	-177.2	167.2	-122.9	-173.9	166.1	-144.9	-6.4	107.5	E810	R808-E810 IonicContact CZ-OE1 3.64Å; R808-E810 IonicContact NH1-OE1 2.75Å; R808-E810 PolarHBondContact NH1-OE1 3.44Å; R808-E810 IonicContact NH2-OE1 3.36Å; R808-E810 PolarHBondContact NH2-OE1 2.9Å
809	P	39.7	Very low	29.6	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	77%	0.77	S	S	*	*			cis	-141.2	151.8	28.6	38.3	-16.6	0	0	0	119.9
810	E	27.4	Very low	30.1	Very low	129 Å²	129	147.7 Å²	147.7	60%	0.603	78%	0.776	S	S	*	*			trans	45.6	129.8	134	-55.3	-169.6	147.6	0	0	124.4	R808	R808-E810 IonicContact CZ-OE1 3.64Å; R808-E810 IonicContact NH1-OE1 2.75Å; R808-E810 PolarHBondContact NH1-OE1 3.44Å; R808-E810 IonicContact NH2-OE1 3.36Å; R808-E810 PolarHBondContact NH2-OE1 2.9Å
811	H	29.1	Very low	30.5	Very low	196 Å²	196	150.6 Å²	150.6	91%	0.907	78%	0.777	S	S	*	*				-155.2	141.3	122	-99.2	-72	0	0	0	111.6
812	A	26.7	Very low	30.9	Very low	95 Å²	95	155.9 Å²	155.9	79%	0.785	78%	0.782	S	S	*	*			trans	13.8	129.6	168.2	0	0	0	0	0	122.6
813	P	35	Very low	31.4	Very low	126 Å²	126	154.2 Å²	154.2	82%	0.818	77%	0.772	S	S	*	*			trans	-102.6	154.8	172.7	38.6	-32.8	0	0	0	115
814	L	26.4	Very low	32.1	Very low	165 Å²	165	155.1 Å²	155.1	86%	0.864	77%	0.769	S	S	*	*			trans	-150.1	117.7	154.6	-143.8	93.3	0	0	0	111.7
815	W	27.8	Very low	33	Very low	243 Å²	243	149.4 Å²	149.4	92%	0.92	76%	0.759	S	S	*	*			trans	42.7	118.1	156.1	-79.1	58.8	0	0	0	121.5
816	N	28.3	Very low	33.9	Very low	160 Å²	160	149.6 Å²	149.6	86%	0.856	76%	0.76	S	S	*	*			trans	-158.2	168	141	-120.2	-0.5	0	0	0	110.9
817	P	40.1	Very low	34.7	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	76%	0.756	S	S	*	*			trans	-96.2	162.7	-156.2	37.6	-39.3	0	0	0	116.1
818	T	31.7	Very low	35.9	Very low	134 Å²	134	144 Å²	144	82%	0.822	74%	0.74	S	S	*	*			trans	-166.3	97	157.5	4.3	0	0	0	0	109.3
819	M	35.7	Very low	37.3	Very low	169 Å²	169	140 Å²	140	83%	0.833	73%	0.733	S	S	*	*			trans	-145.4	-25.2	180	-165	163.9	175.9	0	0	115.3
820	E	34.6	Very low	37.9	Very low	168 Å²	168	141.3 Å²	141.3	79%	0.785	73%	0.731	S	S	*	*	S	Bend	trans	-78.1	-41.3	-177.9	-66.9	171	128.9	0	0	112.7	R822 L823	E820-R822 PolarHBondContact O-N 3.41Å; E820-L823 PolarHBondContact O-N 2.9Å; E820-L823 VanDerWaalsContact O-N 3.14Å
821	E	35.3	Very low	39.4	Very low	167 Å²	167	141 Å²	141	78%	0.78	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-3.5	-174.1	-156.7	174.6	-144.1	0	0	115.2
822	R	36.3	Very low	41	Very low	211 Å²	211	138 Å²	138	80%	0.796	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-6	176.4	-86.3	-169.6	173.4	-158.7	-1.2	114.9	E820 N826	E820-R822 PolarHBondContact O-N 3.41Å; R822-N826 PolarHBondContact O-ND2 3.45Å
823	L	37.1	Very low	42.8	Very low	120 Å²	120	137 Å²	137	63%	0.628	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-52.1	-176.8	-70.8	166.3	0	0	0	111.9	E820 V825 N826 Q827	E820-L823 PolarHBondContact O-N 2.9Å; E820-L823 VanDerWaalsContact O-N 3.14Å; L823-V825 VanDerWaalsContact C-N 3.34Å; L823-V825 PolarHBondContact O-N 3.09Å; L823-N826 PolarHBondContact O-N 3.31Å; L823-N826 VanDerWaalsContact O-N 3.11Å; L823-Q827 PolarHBondContact O-N 3.27Å
824	D	42.8	Very low	44.1	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	69%	0.685	S	S	*	*	H	α-helix	trans	-57.7	-41	-173.9	-64	-12.9	0	0	0	113.6	N826 Q827 A828	D824-N826 VanDerWaalsContact C-N 3.28Å; D824-N826 PolarHBondContact O-N 3.02Å; D824-Q827 PolarHBondContact O-N 2.99Å; D824-A828 PolarHBondContact O-N 3.07Å
825	V	46.3	Very low	46.4	Very low	107 Å²	107	132.1 Å²	132.1	65%	0.648	67%	0.666	S	S	*	*	H	α-helix	trans	-63	-34	-179.1	-175.2	0	0	0	0	112.1	L823	L823-V825 VanDerWaalsContact C-N 3.34Å; L823-V825 PolarHBondContact O-N 3.09Å
826	N	49.3	Very low	48.3	Very low	110 Å²	110	126.5 Å²	126.5	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-76.9	-32	177.6	-75	-67.2	0	0	0	112.1	R822 L823 D824 M830	R822-N826 PolarHBondContact O-ND2 3.45Å; L823-N826 PolarHBondContact O-N 3.31Å; L823-N826 VanDerWaalsContact O-N 3.11Å; D824-N826 VanDerWaalsContact C-N 3.28Å; D824-N826 PolarHBondContact O-N 3.02Å; N826-M830 PolarHBondContact O-N 3.12Å
827	Q	44.7	Very low	49.8	Very low	133 Å²	133	124.4 Å²	124.4	62%	0.621	63%	0.634	S	S	*	*	H	α-helix	trans	-69.2	-44.7	-179.5	-172.2	164.5	-17.1	0	0	111.6	L823 D824 L829 M830 E831	L823-Q827 PolarHBondContact O-N 3.27Å; D824-Q827 PolarHBondContact O-N 2.99Å; Q827-L829 PolarHBondContact O-N 3.28Å; Q827-M830 PolarHBondContact O-N 3.01Å; Q827-E831 PolarHBondContact O-N 3Å
828	A	53.5	Low	51	Low	62 Å²	62	125.9 Å²	125.9	51%	0.512	63%	0.631	S	S	.	*	H	α-helix	trans	-59.9	-43.4	177.1	0	0	0	0	0	112.8	D824 M830 E831 E832	D824-A828 PolarHBondContact O-N 3.07Å; A828-M830 VanDerWaalsContact C-N 3.3Å; A828-M830 PolarHBondContact O-N 3.48Å; A828-E831 PolarHBondContact O-N 2.88Å; A828-E832 PolarHBondContact O-N 3.11Å
829	L	56.1	Low	52.9	Low	108 Å²	108	125.4 Å²	125.4	57%	0.565	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-33.2	179.7	-161.9	75.4	0	0	0	112.5	Q827 T833	Q827-L829 PolarHBondContact O-N 3.28Å; L829-T833 WeakPolarHBondContact O-CB 3.18Å; L829-T833 PolarHBondContact O-N 3.1Å; L829-T833 PolarHBondContact O-OG1 3.38Å
830	M	51.4	Low	54.5	Low	139 Å²	139	122.2 Å²	122.2	69%	0.685	60%	0.603	S	S	*	*	H	α-helix	trans	-74.1	-34.4	177	-162.9	168.3	-166.9	0	0	112.1	N826 Q827 A828 T833 L834	N826-M830 PolarHBondContact O-N 3.12Å; Q827-M830 PolarHBondContact O-N 3.01Å; A828-M830 VanDerWaalsContact C-N 3.3Å; A828-M830 PolarHBondContact O-N 3.48Å; M830-T833 PolarHBondContact O-N 3.48Å; M830-L834 PolarHBondContact O-N 2.89Å
831	E	60.1	Low	56.1	Low	122 Å²	122	120.7 Å²	120.7	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-70.6	-41.7	176.3	-162.3	161.9	-130.8	0	0	111.8	Q827 A828 T833 L834 I835	Q827-E831 PolarHBondContact O-N 3Å; A828-E831 PolarHBondContact O-N 2.88Å; E831-T833 VanDerWaalsContact C-N 3.32Å; E831-T833 PolarHBondContact O-N 2.89Å; E831-L834 PolarHBondContact O-N 3.34Å; E831-I835 WeakPolarHBondContact O-CG1 3.45Å; E831-I835 PolarHBondContact O-N 2.86Å
832	E	61.2	Low	57.6	Low	133 Å²	133	116.2 Å²	116.2	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-58.7	-42.9	170.7	-174.5	179.2	-168.1	0	0	111.8	A828 L834 I835 K836	A828-E832 PolarHBondContact O-N 3.11Å; E832-L834 VanDerWaalsContact C-N 3.35Å; E832-L834 PolarHBondContact O-N 2.96Å; E832-I835 PolarHBondContact O-N 3.37Å; E832-K836 PolarHBondContact O-N 3.24Å
833	T	65.8	Low	59.3	Low	74 Å²	74	112.3 Å²	112.3	45%	0.454	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-39.4	177.3	-58.5	0	0	0	0	112.1	L829 M830 E831 K836 Q837	L829-T833 WeakPolarHBondContact O-CB 3.18Å; L829-T833 PolarHBondContact O-N 3.1Å; L829-T833 PolarHBondContact O-OG1 3.38Å; M830-T833 PolarHBondContact O-N 3.48Å; E831-T833 VanDerWaalsContact C-N 3.32Å; E831-T833 PolarHBondContact O-N 2.89Å; T833-K836 PolarHBondContact O-N 3.37Å; T833-Q837 PolarHBondContact O-N 3.46Å
834	L	60.5	Low	60.7	Low	96 Å²	96	111.4 Å²	111.4	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-66.8	-42.7	176.1	-95.8	159.5	0	0	0	112.7	M830 E831 E832 K836 Q837 Q838	M830-L834 PolarHBondContact O-N 2.89Å; E831-L834 PolarHBondContact O-N 3.34Å; E832-L834 VanDerWaalsContact C-N 3.35Å; E832-L834 PolarHBondContact O-N 2.96Å; L834-K836 VanDerWaalsContact C-N 3.3Å; L834-K836 PolarHBondContact O-N 2.88Å; L834-Q837 PolarHBondContact O-N 3.05Å; L834-Q838 PolarHBondContact O-N 3.08Å
835	I	74.6	Confident	61.8	Low	93 Å²	93	111 Å²	111	48%	0.477	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-42.9	175.5	-69.1	165	0	0	0	110.2	E831 E832 Q838 Q839	E831-I835 WeakPolarHBondContact O-CG1 3.45Å; E831-I835 PolarHBondContact O-N 2.86Å; E832-I835 PolarHBondContact O-N 3.37Å; I835-Q838 PolarHBondContact O-N 3.27Å; I835-Q839 WeakPolarHBondContact O-CG 3.45Å; I835-Q839 PolarHBondContact O-N 2.75Å; I835-Q839 VanDerWaalsContact O-N 3.1Å
836	K	68.9	Low	62.8	Low	124 Å²	124	111.8 Å²	111.8	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-45.4	177.5	-174.4	173.8	172	-179.4	0	112.5	E832 T833 L834 Q838 Q839 E840	E832-K836 PolarHBondContact O-N 3.24Å; T833-K836 PolarHBondContact O-N 3.37Å; L834-K836 VanDerWaalsContact C-N 3.3Å; L834-K836 PolarHBondContact O-N 2.88Å; K836-Q838 VanDerWaalsContact C-N 3.3Å; K836-Q838 PolarHBondContact O-N 3.36Å; K836-Q839 PolarHBondContact O-N 3.19Å; K836-Q839 VanDerWaalsContact O-N 3.15Å; K836-E840 WeakPolarHBondContact CE-OE1 3.25Å; K836-E840 IonicContact NZ-OE1 3.9Å; K836-E840 PolarHBondContact O-N 3.48Å
837	Q	59.4	Low	64	Low	117 Å²	117	113.1 Å²	113.1	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-33.7	176.7	-74.7	-173.9	-0.4	0	0	113	T833 L834 M841	T833-Q837 PolarHBondContact O-N 3.46Å; L834-Q837 PolarHBondContact O-N 3.05Å; Q837-M841 VanDerWaalsContact O-CB 3.31Å; Q837-M841 WeakPolarHBondContact O-CB 3.31Å; Q837-M841 PolarHBondContact O-N 3.48Å
838	Q	64.9	Low	64.4	Low	135 Å²	135	111.5 Å²	111.5	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-67.6	-37.7	173	-75.3	-171.1	-3.4	0	0	112.6	L834 I835 K836 E842	L834-Q838 PolarHBondContact O-N 3.08Å; I835-Q838 PolarHBondContact O-N 3.27Å; K836-Q838 VanDerWaalsContact C-N 3.3Å; K836-Q838 PolarHBondContact O-N 3.36Å; Q838-E842 VanDerWaalsContact O-CB 3.31Å; Q838-E842 WeakPolarHBondContact O-CB 3.27Å; Q838-E842 PolarHBondContact O-N 3.3Å
839	Q	71.5	Confident	64.9	Low	124 Å²	124	113.3 Å²	113.3	58%	0.579	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-46.6	175.8	-70.9	178.6	5.1	0	0	111.6	I835 K836 M841 E842 E843	I835-Q839 WeakPolarHBondContact O-CG 3.45Å; I835-Q839 PolarHBondContact O-N 2.75Å; I835-Q839 VanDerWaalsContact O-N 3.1Å; K836-Q839 PolarHBondContact O-N 3.19Å; K836-Q839 VanDerWaalsContact O-N 3.15Å; Q839-M841 VanDerWaalsContact C-N 3.35Å; Q839-M841 PolarHBondContact O-N 2.97Å; Q839-E842 PolarHBondContact O-N 3.47Å; Q839-E843 PolarHBondContact O-N 3.34Å
840	E	70.3	Confident	65.2	Low	103 Å²	103	114.4 Å²	114.4	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-43	177.3	-70	174	171.7	0	0	111.3	K836 E842 E843 D844	K836-E840 WeakPolarHBondContact CE-OE1 3.25Å; K836-E840 IonicContact NZ-OE1 3.9Å; K836-E840 PolarHBondContact O-N 3.48Å; E840-E842 PolarHBondContact O-N 3.39Å; E840-E843 PolarHBondContact O-N 3.46Å; E840-D844 PolarHBondContact O-N 3.39Å
841	M	68.6	Low	65.1	Low	136 Å²	136	112.2 Å²	112.2	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-38.3	175.7	-169.9	-171.1	-53.4	0	0	113.2	Q837 Q839 D844 R845	Q837-M841 VanDerWaalsContact O-CB 3.31Å; Q837-M841 WeakPolarHBondContact O-CB 3.31Å; Q837-M841 PolarHBondContact O-N 3.48Å; Q839-M841 VanDerWaalsContact C-N 3.35Å; Q839-M841 PolarHBondContact O-N 2.97Å; M841-D844 PolarHBondContact O-N 3.35Å; M841-R845 WeakPolarHBondContact O-CB 3.29Å; M841-R845 PolarHBondContact O-N 3.31Å
842	E	65.8	Low	64.7	Low	73 Å²	73	111.7 Å²	111.7	34%	0.341	52%	0.52	S	S	.	.	H	α-helix	trans	-76.9	-22.1	-179.9	-178.7	63	-176.4	0	0	112.5	Q838 Q839 E840 R845 R846	Q838-E842 VanDerWaalsContact O-CB 3.31Å; Q838-E842 WeakPolarHBondContact O-CB 3.27Å; Q838-E842 PolarHBondContact O-N 3.3Å; Q839-E842 PolarHBondContact O-N 3.47Å; E840-E842 PolarHBondContact O-N 3.39Å; E842-R845 IonicContact OE1-CZ 2.63Å; E842-R845 IonicContact OE1-NE 2.72Å; E842-R845 IonicContact OE1-NH2 3.69Å; E842-R845 PolarHBondContact OE1-NH2 2.91Å; E842-R845 IonicContact OE2-CZ 3.97Å; E842-R845 VanDerWaalsContact OE2-CZ 3.3Å; E842-R845 IonicContact OE2-NE 3.6Å; E842-R845 PolarHBondContact OE2-NE 2.83Å; E842-R845 IonicContact OE2-NH2 2.68Å; E842-R845 PolarHBondContact OE2-NH2 2.8Å; E842-R846 WeakPolarHBondContact O-CG 3.49Å; E842-R846 PolarHBondContact O-N 2.89Å; E842-R846 PolarHBondContact O-NE 2.81Å
843	E	71.8	Confident	64.1	Low	129 Å²	129	109.5 Å²	109.5	60%	0.603	52%	0.519	S	S	*	.	H	α-helix	trans	-76	-44.7	166.7	-70.5	-168.5	161.6	0	0	111.8	Q839 E840 R845 R846 W847	Q839-E843 PolarHBondContact O-N 3.34Å; E840-E843 PolarHBondContact O-N 3.46Å; E843-R845 VanDerWaalsContact C-N 3.31Å; E843-R845 PolarHBondContact O-N 2.92Å; E843-R846 PolarHBondContact O-N 2.38Å; E843-R846 VanDerWaalsContact O-N 3.11Å; E843-W847 PolarHBondContact O-N 2.68Å
844	D	67.1	Low	63.3	Low	100 Å²	100	113.7 Å²	113.7	54%	0.535	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-37	177.8	-133.6	33.4	0	0	0	111.6	E840 M841 W847 L848	E840-D844 PolarHBondContact O-N 3.39Å; M841-D844 PolarHBondContact O-N 3.35Å; D844-W847 PolarHBondContact O-N 3.08Å; D844-L848 WeakPolarHBondContact O-CG 3.38Å; D844-L848 PolarHBondContact O-N 3.27Å
845	R	65.5	Low	62.4	Low	113 Å²	113	115.7 Å²	115.7	43%	0.426	54%	0.542	S	S	.	.	H	α-helix	trans	-59.1	-46.8	170.8	-173	175	73.3	89.2	-7.8	112	M841 E842 E843 W847 L848 E849	M841-R845 WeakPolarHBondContact O-CB 3.29Å; M841-R845 PolarHBondContact O-N 3.31Å; E842-R845 IonicContact OE1-CZ 2.63Å; E842-R845 IonicContact OE1-NE 2.72Å; E842-R845 IonicContact OE1-NH2 3.69Å; E842-R845 PolarHBondContact OE1-NH2 2.91Å; E842-R845 IonicContact OE2-CZ 3.97Å; E842-R845 VanDerWaalsContact OE2-CZ 3.3Å; E842-R845 IonicContact OE2-NE 3.6Å; E842-R845 PolarHBondContact OE2-NE 2.83Å; E842-R845 IonicContact OE2-NH2 2.68Å; E842-R845 PolarHBondContact OE2-NH2 2.8Å; E843-R845 VanDerWaalsContact C-N 3.31Å; E843-R845 PolarHBondContact O-N 2.92Å; R845-W847 VanDerWaalsContact C-N 3.33Å; R845-W847 PolarHBondContact O-N 2.74Å; R845-L848 PolarHBondContact O-N 2.87Å; R845-E849 IonicContact CZ-OE1 2.74Å; R845-E849 IonicContact NH1-OE1 2.64Å; R845-E849 PolarHBondContact NH1-OE1 3.16Å; R845-E849 IonicContact NH1-OE2 3.73Å; R845-E849 WeakPolarHBondContact O-CG 3.15Å; R845-E849 PolarHBondContact O-N 2.64Å
846	R	68.8	Low	60.5	Low	123 Å²	123	118.5 Å²	118.5	46%	0.464	55%	0.55	S	S	.	*	H	α-helix	trans	-68.3	-31.7	178.6	-76.5	178	-74.3	170.8	1.7	112.3	E842 E843 Q850	E842-R846 WeakPolarHBondContact O-CG 3.49Å; E842-R846 PolarHBondContact O-N 2.89Å; E842-R846 PolarHBondContact O-NE 2.81Å; E843-R846 PolarHBondContact O-N 2.38Å; E843-R846 VanDerWaalsContact O-N 3.11Å; R846-Q850 WeakPolarHBondContact O-CG 3.34Å; R846-Q850 PolarHBondContact O-N 3.47Å
847	W	72.6	Confident	59	Low	138 Å²	138	118.6 Å²	118.6	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-67.7	-42.1	171.7	-174	84.5	0	0	0	112.2	E843 D844 R845 Q850 K851	E843-W847 PolarHBondContact O-N 2.68Å; D844-W847 PolarHBondContact O-N 3.08Å; R845-W847 VanDerWaalsContact C-N 3.33Å; R845-W847 PolarHBondContact O-N 2.74Å; W847-Q850 PolarHBondContact O-N 2.67Å; W847-K851 HydrophobicContact CE3-CD 4.27Å; W847-K851 HydrophobicContact CH2-CD 3.91Å; W847-K851 HydrophobicContact CZ2-CD 4.25Å; W847-K851 HydrophobicContact CZ3-CD 3.87Å; W847-K851 WeakPolarHBondContact O-CB 3.47Å; W847-K851 PolarHBondContact O-N 3.36Å
848	L	54.7	Low	57.7	Low	99 Å²	99	122.7 Å²	122.7	52%	0.518	58%	0.583	S	S	.	*	H	α-helix	trans	-63.7	-42.1	174.7	-73	169.4	0	0	0	112.1	D844 R845 K851 E852	D844-L848 WeakPolarHBondContact O-CG 3.38Å; D844-L848 PolarHBondContact O-N 3.27Å; R845-L848 PolarHBondContact O-N 2.87Å; L848-K851 CarbonylContact O-C 3.58Å; L848-K851 PolarHBondContact O-N 3.02Å; L848-K851 VanDerWaalsContact O-N 3.08Å; L848-E852 PolarHBondContact O-N 2.82Å
849	E	64.3	Low	56	Low	100 Å²	100	120.8 Å²	120.8	47%	0.467	59%	0.585	S	S	.	*	H	α-helix	trans	-63.2	-41.2	175.4	-74.6	170.6	-168.1	0	0	112.3	R845 K851 S853	R845-E849 IonicContact CZ-OE1 2.74Å; R845-E849 IonicContact NH1-OE1 2.64Å; R845-E849 PolarHBondContact NH1-OE1 3.16Å; R845-E849 IonicContact NH1-OE2 3.73Å; R845-E849 WeakPolarHBondContact O-CG 3.15Å; R845-E849 PolarHBondContact O-N 2.64Å; E849-K851 VanDerWaalsContact C-N 3.29Å; E849-K851 PolarHBondContact O-N 3.11Å; E849-S853 PolarHBondContact O-N 2.76Å; E849-S853 VanDerWaalsContact O-N 3.14Å
850	Q	61.1	Low	54.1	Low	131 Å²	131	125.5 Å²	125.5	61%	0.612	60%	0.597	S	S	*	*	H	α-helix	trans	-62.2	-35.4	170.2	-76.4	-173.9	6.3	0	0	112.6	R846 W847 S853 H854	R846-Q850 WeakPolarHBondContact O-CG 3.34Å; R846-Q850 PolarHBondContact O-N 3.47Å; W847-Q850 PolarHBondContact O-N 2.67Å; Q850-S853 PolarHBondContact O-OG 3.05Å; Q850-H854 PolarHBondContact O-ND1 2.99Å
851	K	49	Very low	52.2	Low	94 Å²	94	128 Å²	128	41%	0.409	61%	0.614	S	S	.	*	H	α-helix	trans	-77.6	-32.2	-178.3	-161.9	171.6	-172.9	174.4	0	112.8	W847 L848 E849 H854 M855	W847-K851 HydrophobicContact CE3-CD 4.27Å; W847-K851 HydrophobicContact CH2-CD 3.91Å; W847-K851 HydrophobicContact CZ2-CD 4.25Å; W847-K851 HydrophobicContact CZ3-CD 3.87Å; W847-K851 WeakPolarHBondContact O-CB 3.47Å; W847-K851 PolarHBondContact O-N 3.36Å; L848-K851 CarbonylContact O-C 3.58Å; L848-K851 PolarHBondContact O-N 3.02Å; L848-K851 VanDerWaalsContact O-N 3.08Å; E849-K851 VanDerWaalsContact C-N 3.29Å; E849-K851 PolarHBondContact O-N 3.11Å; K851-H854 PolarHBondContact O-N 2.92Å; K851-M855 HydrophobicContact CG-CE 4.37Å
852	E	51.7	Low	50.4	Low	111 Å²	111	126.6 Å²	126.6	52%	0.519	62%	0.618	S	S	.	*	H	α-helix	trans	-72	-35.4	173.4	-159.2	-167.2	143.6	0	0	111.7	L848 H854 M855 K856	L848-E852 PolarHBondContact O-N 2.82Å; E852-H854 PolarHBondContact O-N 2.83Å; E852-M855 PolarHBondContact O-N 2.89Å; E852-K856 WeakPolarHBondContact OE1-CE 3.43Å; E852-K856 IonicContact OE1-NZ 3.55Å; E852-K856 PolarHBondContact OE1-NZ 3.16Å
853	S	50.3	Low	48.7	Very low	87 Å²	87	135 Å²	135	61%	0.608	65%	0.646	S	S	*	*	H	α-helix	trans	-63.4	-25.9	174.6	74.7	0	0	0	0	113.2	E849 Q850	E849-S853 PolarHBondContact O-N 2.76Å; E849-S853 VanDerWaalsContact O-N 3.14Å; Q850-S853 PolarHBondContact O-OG 3.05Å
854	H	48	Very low	46.6	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.745	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-4.2	172.5	-75.5	80.7	0	0	0	114.5	Q850 K851 E852	Q850-H854 PolarHBondContact O-ND1 2.99Å; K851-H854 PolarHBondContact O-N 2.92Å; E852-H854 PolarHBondContact O-N 2.83Å
855	M	40.7	Very low	44.8	Very low	139 Å²	139	132.8 Å²	132.8	69%	0.685	67%	0.665	S	S	*	*			trans	-128.6	45.8	-175.7	-71.8	-158.3	-76.2	0	0	114.1	K851 E852	K851-M855 HydrophobicContact CG-CE 4.37Å; E852-M855 PolarHBondContact O-N 2.89Å
856	K	36.5	Very low	43.1	Very low	151 Å²	151	134.4 Å²	134.4	66%	0.657	68%	0.681	S	S	*	*			trans	-117.4	120.9	160.5	-75.8	174.3	-178.7	155.8	0	109.9	E852	E852-K856 WeakPolarHBondContact OE1-CE 3.43Å; E852-K856 IonicContact OE1-NZ 3.55Å; E852-K856 PolarHBondContact OE1-NZ 3.16Å
857	P	37.2	Very low	41.3	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	69%	0.691	S	S	*	*			trans	-80.8	141.1	-173.5	31.5	-34.6	0	0	0	112.2
858	E	30.9	Very low	39.3	Very low	202 Å²	202	136.6 Å²	136.6	94%	0.944	70%	0.698	S	S	*	*			trans	-67.2	153.9	168.9	-64.9	-168.7	126.4	0	0	111.7
859	S	29.5	Very low	38.2	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	71%	0.705	S	S	*	*			trans	-121.6	148.7	-178.2	85.3	0	0	0	0	111.9
860	R	31.8	Very low	36.5	Very low	224 Å²	224	140.5 Å²	140.5	85%	0.845	72%	0.718	S	S	*	*			trans	69.8	145.3	168.1	-61.8	170.5	157.9	171.6	-6.3	113.8
861	N	30.7	Very low	35	Very low	154 Å²	154	137.6 Å²	137.6	82%	0.824	72%	0.723	S	S	*	*			cis	-153.5	174.5	33	-105	-41.8	0	0	0	112.7
862	S	30.9	Very low	34	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	74%	0.737	S	S	*	*			trans	-100.4	150.4	178.5	-29.5	0	0	0	0	113.5
863	R	29.8	Very low	33	Very low	249 Å²	249	139.7 Å²	139.7	94%	0.94	75%	0.746	S	S	*	*				167.7	131	126.9	-97.3	171.9	166.1	179	-4.7	116
864	G	26.8	Very low	31.9	Very low	78 Å²	78	144.1 Å²	144.1	80%	0.804	76%	0.757	S	S	*	*			trans	75.9	163.6	146.8	0	0	0	0	0	118.7
865	S	29.3	Very low	30.8	Very low	104 Å²	104	143 Å²	143	73%	0.727	76%	0.762	S	S	*	*			cis	-172	152.6	-16.1	-153.8	0	0	0	0	110.7
866	I	30.6	Very low	30.9	Very low	148 Å²	148	142.3 Å²	142.3	76%	0.759	77%	0.768	S	S	*	*			trans	69	140	156.3	-72.9	159.7	0	0	0	115.6
867	D	30.2	Very low	30.4	Very low	127 Å²	127	139 Å²	139	68%	0.679	78%	0.777	S	S	*	*			cis	-148.2	176.2	2.7	-136.1	-14.7	0	0	0	114.7
868	R	32	Very low	29.9	Very low	180 Å²	180	136.8 Å²	136.8	68%	0.679	78%	0.777	S	S	*	*			trans	-13	164.1	155.1	-67.7	163.1	91.4	173.2	4.8	120.3
869	E	31	Very low	29.7	Very low	142 Å²	142	132.9 Å²	132.9	66%	0.664	77%	0.772	S	S	*	*			cis	-167.5	169.7	-3.8	-112.1	163.8	-173.1	0	0	107
870	D	29.2	Very low	30.6	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	77%	0.768	S	S	*	*			cis	-153.3	175	-10.8	177.4	43	0	0	0	107.6
871	G	28.4	Very low	30.6	Very low	70 Å²	70	129.8 Å²	129.8	72%	0.722	76%	0.764	S	S	*	*			trans	172	91.5	163.7	0	0	0	0	0	114.7
872	T	28.9	Very low	30.5	Very low	112 Å²	112	128.3 Å²	128.3	69%	0.687	76%	0.755	S	S	*	*			trans	-76.3	163.7	172.5	53.8	0	0	0	0	111.5
873	L	30.5	Very low	30.4	Very low	138 Å²	138	133.8 Å²	133.8	72%	0.723	76%	0.76	S	S	*	*			cis	-141.3	135.8	33.7	-82.9	89.2	0	0	0	116.1
874	Q	26.9	Very low	30.2	Very low	180 Å²	180	130 Å²	130	84%	0.841	75%	0.754	S	S	*	*				61.7	145	128.1	-59.7	-174.6	-7.7	0	0	123.5
875	T	24.1	Very low	31.7	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	75%	0.747	S	S	*	*			trans	-117.7	-146.2	-174.4	58.3	0	0	0	0	107.4
876	P	43.3	Very low	31.5	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	75%	0.754	S	S	*	*			cis	-138.9	174.6	2.5	42.7	-23.4	0	0	0	117.8
877	G	26	Very low	31.3	Very low	82 Å²	82	129.4 Å²	129.4	85%	0.845	75%	0.752	S	S	*	*			trans	134.3	118.5	160.1	0	0	0	0	0	113.6
878	G	26.4	Very low	31.1	Very low	81 Å²	81	133.4 Å²	133.4	84%	0.835	76%	0.763	S	S	*	*			cis	-161.4	167.8	-2.2	0	0	0	0	0	112.7
879	S	28.4	Very low	31.6	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	76%	0.764	S	S	*	*			trans	-106.2	-177.7	-170.4	-94	0	0	0	0	111.8
880	P	47	Very low	31.4	Very low	89 Å²	89	131.7 Å²	131.7	58%	0.578	77%	0.772	S	S	*	*			cis	-146.7	-164.9	-38.9	40.3	-21.3	0	0	0	114.8
881	H	32.1	Very low	31.4	Very low	165 Å²	165	133.6 Å²	133.6	76%	0.764	78%	0.776	S	S	*	*			trans	76.5	151.2	141.7	-74.7	-5.2	0	0	0	120.5
882	I	29.6	Very low	31.2	Very low	123 Å²	123	137.4 Å²	137.4	63%	0.631	79%	0.785	S	S	*	*			cis	-165.1	178	-16.1	-126.8	169.9	0	0	0	111.7
883	Y	28.4	Very low	31.2	Very low	223 Å²	223	136.3 Å²	136.3	88%	0.875	79%	0.788	S	S	*	*			trans	95	150.9	161.3	-85.7	-53.9	0	0	0	123.1
884	Q	25.6	Very low	32	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	79%	0.791	S	S	*	*			trans	-169.7	174.6	-171.9	-123.4	-157.1	11	0	0	106.5
885	P	56.8	Low	32.5	Very low	101 Å²	101	133.1 Å²	133.1	66%	0.656	79%	0.791	S	S	*	*			cis	-126.3	-161.9	-48.3	38.2	-20.3	0	0	0	111.1
886	V	27	Very low	32.6	Very low	147 Å²	147	136.6 Å²	136.6	89%	0.891	79%	0.794	S	S	*	*			trans	152.7	140.9	142.4	158.8	0	0	0	0	112.5
887	G	25.1	Very low	31.9	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	80%	0.798	S	S	*	*			trans	147.2	124.9	159.2	0	0	0	0	0	119.1
888	K	27.1	Very low	32.5	Very low	210 Å²	210	142.1 Å²	142.1	91%	0.913	80%	0.795	S	S	*	*			trans	-160.4	165.3	165.5	-92.6	-166.8	178.2	-174.4	0	107.2
889	P	41.4	Very low	33.1	Very low	106 Å²	106	144.4 Å²	144.4	69%	0.688	80%	0.795	S	S	*	*			cis	-149.2	-171.4	30.8	41.7	-18.8	0	0	0	119.1
890	E	26.8	Very low	33.2	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	80%	0.797	S	S	*	*			trans	88.1	174.3	141.6	-92	163.4	-145.5	0	0	126.7
891	H	29.3	Very low	32.5	Very low	177 Å²	177	151.4 Å²	151.4	82%	0.819	81%	0.807	S	S	*	*			trans	-116.7	154.6	-145.5	-85.6	-102.2	0	0	0	116.9
892	V	25.4	Very low	32.1	Very low	150 Å²	150	147 Å²	147	91%	0.909	81%	0.807	S	S	*	*			trans	-149.9	166	148.8	-168	0	0	0	0	111.3
893	A	28.1	Very low	31.9	Very low	90 Å²	90	145.4 Å²	145.4	74%	0.744	81%	0.812	S	S	*	*			trans	-125.4	178	-173.8	0	0	0	0	0	114.5
894	P	46.5	Very low	31.7	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	81%	0.812	S	S	*	*			trans	-113.2	172.2	-159.8	42.4	-36.7	0	0	0	118.6
895	P	37.1	Very low	31.6	Very low	129 Å²	129	143.2 Å²	143.2	84%	0.838	81%	0.813	S	S	*	*			trans	-111.3	-166.7	171.8	39.8	-30.6	0	0	0	116.3
896	K	26.2	Very low	30.6	Very low	210 Å²	210	143.4 Å²	143.4	91%	0.913	82%	0.815	S	S	*	*			trans	-124.6	172	-149.6	-59.9	173.1	179.3	174.3	0	117.8
897	K	28.7	Very low	30.5	Very low	202 Å²	202	143.2 Å²	143.2	88%	0.878	81%	0.809	S	S	*	*			trans	-71	175.9	161.8	-78.6	-177.2	179.8	178.7	0	112.3
898	P	39.1	Very low	30.4	Very low	121 Å²	121	146.6 Å²	146.6	79%	0.786	81%	0.81	S	S	*	*			cis	-133.3	-146.7	32.4	41.7	-18.4	0	0	0	112.9
899	P	38.5	Very low	30.3	Very low	129 Å²	129	140.9 Å²	140.9	84%	0.838	80%	0.802	S	S	*	*			cis	-132.5	-154.8	-6.6	43.3	-22.6	0	0	0	115.2
900	R	31.8	Very low	29.4	Very low	233 Å²	233	142.5 Å²	142.5	88%	0.879	81%	0.805	S	S	*	*			trans	-165.3	147.5	-179	-169.7	-169.4	-164.8	-168.4	9.8	114.8
901	P	31.7	Very low	29.3	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	81%	0.808	S	S	*	*			trans	-129	-176.1	139.8	22.1	-0.9	0	0	0	111.8
902	G	24.3	Very low	29	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	81%	0.805	S	S	*	*			cis	120.7	134.1	-1.3	0	0	0	0	0	112.6
903	A	24.3	Very low	30	Very low	89 Å²	89	137.4 Å²	137.4	74%	0.736	80%	0.798	S	S	*	*			cis	-166.5	-165.8	-9.3	0	0	0	0	0	111.3
904	H	23.9	Very low	29.8	Very low	191 Å²	191	138.6 Å²	138.6	88%	0.884	80%	0.796	S	S	*	*			trans	96.1	154.9	163.8	-63.4	-78.5	0	0	0	122.8
905	L	25.3	Very low	28.8	Very low	156 Å²	156	139.9 Å²	139.9	82%	0.817	80%	0.796	S	S	*	*			trans	-148.9	156.1	-171.4	-124.7	167.2	0	0	0	106.4
906	P	35.3	Very low	28.2	Very low	105 Å²	105	139.4 Å²	139.4	68%	0.682	80%	0.796	S	S	*	*				-162.2	165.8	95.8	41.9	-21.9	0	0	0	119.2
907	N	23.8	Very low	28.2	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	79%	0.792	S	S	*	*			trans	59.7	170.2	142.9	-70.8	4.5	0	0	0	124.2
908	L	24.5	Very low	28.1	Very low	141 Å²	141	137.5 Å²	137.5	74%	0.738	79%	0.791	S	S	*	*			cis	-180	121.7	-49.7	-144.4	163.4	0	0	0	110.7
909	A	23.8	Very low	27.6	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	80%	0.796	S	S	*	*			trans	165.8	132.1	153.1	0	0	0	0	0	108.6
910	N	23.9	Very low	27.1	Very low	140 Å²	140	136.6 Å²	136.6	75%	0.749	79%	0.787	S	S	*	*			cis	76.2	106.3	47.7	-76.9	3.5	0	0	0	115.6
911	L	23.9	Very low	26.8	Very low	174 Å²	174	132 Å²	132	91%	0.911	79%	0.785	S	S	*	*				-177.7	148.6	110.6	-94.8	167.3	0	0	0	113.2
912	S	23.7	Very low	26.5	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	79%	0.787	S	S	*	*			trans	-114.1	-165.2	171.7	-42.5	0	0	0	0	108.3
913	P	45	Very low	26.6	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	80%	0.796	S	S	*	*			cis	-143.4	-157.9	4.8	35	-8.8	0	0	0	116.2
914	V	25.2	Very low	26.5	Very low	116 Å²	116	144.2 Å²	144.2	70%	0.703	80%	0.798	S	S	*	*			trans	109.7	101.1	154.2	-170.6	0	0	0	0	119.2
915	D	24.9	Very low	26.7	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	80%	0.796	S	S	*	*			trans	38	124.6	134	-43.8	-16.7	0	0	0	123.2
916	S	24.4	Very low	26.7	Very low	119 Å²	119	142.6 Å²	142.6	83%	0.832	80%	0.798	S	S	*	*				167.1	172.9	88	-160.1	0	0	0	0	113.7
917	Y	25.9	Very low	26.4	Very low	215 Å²	215	146.8 Å²	146.8	84%	0.843	81%	0.808	S	S	*	*			trans	-89.7	141.2	-173.8	-77.8	-115.4	0	0	0	114.2
918	N	26.6	Very low	26.6	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	81%	0.812	S	S	*	*				-177.7	170.3	106.4	-110.8	-12.7	0	0	0	114.7
919	D	29.3	Very low	26.7	Very low	168 Å²	168	146.1 Å²	146.1	90%	0.898	81%	0.812	S	S	*	*			trans	-66.1	155.7	-176.3	-101.9	-55.7	0	0	0	116.8
920	G	28.2	Very low	27.1	Very low	63 Å²	63	147 Å²	147	65%	0.649	81%	0.81	S	S	*	*			trans	127	106.3	140.9	0	0	0	0	0	119.6
921	V	26	Very low	27.4	Very low	136 Å²	136	145.7 Å²	145.7	82%	0.824	81%	0.81	S	S	*	*			trans	79.2	136.4	146.6	-179.1	0	0	0	0	119.2
922	K	25.1	Very low	28	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.835	80%	0.802	S	S	*	*			trans	66.5	87.6	169.5	-75.8	166.1	-175.9	174.9	0	117.7	Q924	K922-Q924 PolarHBondContact O-N 3.44Å
923	L	25.6	Very low	29.1	Very low	181 Å²	181	140.2 Å²	140.2	95%	0.948	78%	0.781	S	S	*	*			trans	-71.2	112.1	150.6	-77.6	167.3	0	0	0	110.2
924	Q	23.1	Very low	29.3	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	76%	0.763	S	S	*	*			trans	-74.3	153.8	151.3	-74.6	-178	-20.2	0	0	109.1	K922 Q926	K922-Q924 PolarHBondContact O-N 3.44Å; Q924-Q926 PolarHBondContact O-N 2.78Å
925	P	26.4	Very low	30.4	Very low	130 Å²	130	139.2 Å²	139.2	84%	0.844	77%	0.772	S	S	*	*			trans	-73.4	99.4	176.4	30.1	-33.7	0	0	0	110.7
926	Q	25.9	Very low	32.1	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	74%	0.742	S	S	*	*			trans	-81.8	136.4	158.2	-82.7	-172.1	-33.7	0	0	109.7	Q924 I928	Q924-Q926 PolarHBondContact O-N 2.78Å; Q926-I928 PolarHBondContact O-N 3.08Å
927	E	28.8	Very low	34.1	Very low	192 Å²	192	134.2 Å²	134.2	90%	0.897	74%	0.735	S	S	*	*			trans	-70.8	108.1	179.5	-65.5	-177.8	117	0	0	110.8	S929	E927-S929 PolarHBondContact O-N 3Å; E927-S929 VanDerWaalsContact O-N 3.16Å
928	I	28.3	Very low	36.4	Very low	164 Å²	164	126 Å²	126	84%	0.841	70%	0.703	S	S	*	*			trans	-77.5	96.5	165.1	-55	176.3	0	0	0	107.1	Q926 P930	Q926-I928 PolarHBondContact O-N 3.08Å; I928-P930 WeakPolarHBondContact O-CD 3.49Å
929	S	26	Very low	38	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-68.2	119.2	173.7	48.3	0	0	0	0	110.2	E927	E927-S929 PolarHBondContact O-N 3Å; E927-S929 VanDerWaalsContact O-N 3.16Å
930	P	32.3	Very low	40	Very low	109 Å²	109	121.2 Å²	121.2	71%	0.708	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-71.4	151.2	174.4	30.4	-34.3	0	0	0	110.3	I928	I928-P930 WeakPolarHBondContact O-CD 3.49Å
931	P	31.1	Very low	42.7	Very low	113 Å²	113	118.8 Å²	118.8	73%	0.734	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-63.3	149.1	176.7	26.9	-34.5	0	0	0	111.4	T933	P931-T933 PolarHBondContact O-N 3.4Å
932	P	36.3	Very low	45.7	Very low	115 Å²	115	117.7 Å²	117.7	75%	0.747	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-65.2	129.1	-165.2	-23.7	34.8	0	0	0	114.9	A934	P932-A934 VanDerWaalsContact C-N 3.26Å; P932-A934 PolarHBondContact O-N 3.21Å
933	T	46.8	Very low	48.7	Very low	52 Å²	52	108.6 Å²	108.6	32%	0.319	60%	0.6	S	S	.	*	S	Bend	trans	-77.3	75.5	169.8	41.4	0	0	0	0	111.2	P931 R938	P931-T933 PolarHBondContact O-N 3.4Å; T933-R938 PolarHBondContact O-NH2 2.81Å
934	A	49.2	Very low	51.8	Low	46 Å²	46	104.3 Å²	104.3	38%	0.38	57%	0.572	S	S	.	*			trans	63.2	153.7	-178.8	0	0	0	0	0	115.7	P932 L936 L1062	P932-A934 VanDerWaalsContact C-N 3.26Å; P932-A934 PolarHBondContact O-N 3.21Å; A934-L936 PolarHBondContact O-N 3.07Å; A934-L1062 HydrophobicContact CB-CD1 4.18Å
935	N	48	Very low	55	Low	167 Å²	167	101.3 Å²	101.3	89%	0.893	56%	0.558	S	S	*	*	S	Bend	trans	-78.4	67.3	174.3	-73.3	-11.6	0	0	0	110.8
936	L	61.5	Low	58.1	Low	32 Å²	32	96.7 Å²	96.7	17%	0.168	53%	0.526	C	S	.	.			trans	-100.6	137.3	164.7	-74.5	160.2	0	0	0	108	A934 R938 D1058 L1062 I1065	A934-L936 PolarHBondContact O-N 3.07Å; L936-R938 PolarHBondContact O-N 3.46Å; L936-D1058 HydrophobicContact CD1-CB 3.72Å; L936-L1062 HydrophobicContact CD1-CD1 4.42Å; L936-L1062 HydrophobicContact CD1-CD2 4.45Å; L936-L1062 HydrophobicContact CD1-CG 4.23Å; L936-L1062 HydrophobicContact CD2-CD2 3.93Å; L936-L1062 HydrophobicContact CD2-CG 4.29Å; L936-L1062 HydrophobicContact CG-CD2 4.13Å; L936-L1062 HydrophobicContact CG-CG 4.43Å; L936-I1065 HydrophobicContact CD2-CD1 3.92Å
937	D	64.7	Low	61.4	Low	128 Å²	128	88.2 Å²	88.2	68%	0.684	49%	0.487	S	S	*	.			trans	-66.5	125.1	167.7	-173.6	4.9	0	0	0	108.9	S939	D937-S939 WeakPolarHBondContact OD1-CB 3.36Å; D937-S939 PolarHBondContact OD1-N 2.84Å; D937-S939 PolarHBondContact OD1-OG 2.87Å
938	R	74.2	Confident	64.3	Low	44 Å²	44	81 Å²	81	17%	0.166	46%	0.457	C	S	.	.			trans	-97.2	-1.9	179.4	-58.6	-56.4	-175.8	160.8	1.1	112.8	T933 L936 N940 D941 D1058	T933-R938 PolarHBondContact O-NH2 2.81Å; L936-R938 PolarHBondContact O-N 3.46Å; R938-N940 PolarHBondContact O-N 3.2Å; R938-D941 IonicContact CZ-OD2 3.94Å; R938-D941 IonicContact NH1-OD2 3.4Å; R938-D941 PolarHBondContact NH1-OD2 2.98Å; R938-D941 PolarHBondContact O-N 3.25Å; R938-D1058 IonicContact CZ-OD1 3.69Å; R938-D1058 IonicContact CZ-OD2 3.78Å; R938-D1058 VanDerWaalsContact NH1-CG 3.27Å; R938-D1058 IonicContact NH1-OD1 3.18Å; R938-D1058 PolarHBondContact NH1-OD1 3.49Å; R938-D1058 VanDerWaalsContact NH1-OD1 3.07Å; R938-D1058 IonicContact NH1-OD2 2.91Å; R938-D1058 PolarHBondContact NH1-OD2 2.88Å; R938-D1058 IonicContact NH2-OD1 3.97Å; R938-D1058 IonicContact NH2-OD2 2.76Å; R938-D1058 PolarHBondContact NH2-OD2 3Å
939	S	62	Low	67.2	Low	81 Å²	81	74.7 Å²	74.7	57%	0.566	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	109	177.8	-51.5	0	0	0	0	110.1	D937	D937-S939 WeakPolarHBondContact OD1-CB 3.36Å; D937-S939 PolarHBondContact OD1-N 2.84Å; D937-S939 PolarHBondContact OD1-OG 2.87Å
940	N	70.2	Confident	70.5	Confident	143 Å²	143	69.6 Å²	69.6	77%	0.765	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	21.2	-173.6	-38.3	-86.4	0	0	0	115.7	R938 K942	R938-N940 PolarHBondContact O-N 3.2Å; N940-K942 VanDerWaalsContact C-N 3.32Å; N940-K942 PolarHBondContact O-N 2.92Å
941	D	86.1	Confident	73.3	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.07	38%	0.376	C	S	.	.			trans	-74.8	83	171	-176.8	1.6	0	0	0	111	R938 V943 Y944 E945 R1061	R938-D941 IonicContact CZ-OD2 3.94Å; R938-D941 IonicContact NH1-OD2 3.4Å; R938-D941 PolarHBondContact NH1-OD2 2.98Å; R938-D941 PolarHBondContact O-N 3.25Å; D941-V943 PolarHBondContact O-N 2.86Å; D941-V943 PolarHBondContact OD1-N 3.38Å; D941-Y944 VanDerWaalsContact CG-CB 3.44Å; D941-Y944 WeakPolarHBondContact O-CB 3.45Å; D941-Y944 PolarHBondContact O-N 2.96Å; D941-Y944 PolarHBondContact OD1-N 3.43Å; D941-Y944 VanDerWaalsContact OD2-CB 3.29Å; D941-Y944 WeakPolarHBondContact OD2-CB 3.2Å; D941-E945 PolarHBondContact O-N 3.08Å; D941-R1061 VanDerWaalsContact CG-NH1 3.28Å; D941-R1061 IonicContact OD1-CZ 3.45Å; D941-R1061 IonicContact OD1-NH1 3.42Å; D941-R1061 PolarHBondContact OD1-NH1 2.94Å; D941-R1061 IonicContact OD1-NH2 3.89Å; D941-R1061 PolarHBondContact OD1-NH2 2.77Å; D941-R1061 IonicContact OD2-CZ 2.72Å; D941-R1061 IonicContact OD2-NH1 2.71Å; D941-R1061 PolarHBondContact OD2-NH1 3.36Å; D941-R1061 IonicContact OD2-NH2 3.5Å
942	K	87.4	Confident	76.1	Confident	113 Å²	113	67.8 Å²	67.8	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-51.2	-30.1	178.9	-64.2	-174.6	179.8	-179.6	0	113.9	N940 N946 T986 E989	N940-K942 VanDerWaalsContact C-N 3.32Å; N940-K942 PolarHBondContact O-N 2.92Å; K942-N946 WeakPolarHBondContact O-CB 3.45Å; K942-N946 PolarHBondContact O-N 3.23Å; K942-N946 PolarHBondContact O-ND2 3.31Å; K942-T986 HydrophobicContact CB-CG2 3.51Å; K942-T986 HydrophobicContact CD-CG2 4.25Å; K942-E989 IonicContact NZ-OE2 2.69Å; K942-E989 PolarHBondContact NZ-OE2 2.89Å
943	V	89.7	Confident	78.9	Confident	1 Å²	1	63 Å²	63	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-47.9	179.1	-178.7	0	0	0	0	109.4	D941 E945 N946 V947 L983 T986 V987 T990 L1054 I1057	D941-V943 PolarHBondContact O-N 2.86Å; D941-V943 PolarHBondContact OD1-N 3.38Å; V943-E945 VanDerWaalsContact C-N 3.33Å; V943-E945 PolarHBondContact O-N 3.03Å; V943-N946 PolarHBondContact O-N 3.04Å; V943-V947 WeakPolarHBondContact O-CG2 3.32Å; V943-V947 PolarHBondContact O-N 3.12Å; V943-L983 HydrophobicContact CG1-CD1 4.23Å; V943-T986 HydrophobicContact CG2-CG2 4.04Å; V943-V987 HydrophobicContact CG1-CG2 3.99Å; V943-V987 HydrophobicContact CG2-CG2 4.43Å; V943-T990 HydrophobicContact CG2-CG2 4.36Å; V943-L1054 HydrophobicContact CG1-CD1 4.08Å; V943-I1057 HydrophobicContact CG1-CD1 3.91Å
944	Y	89.7	Confident	81.1	Confident	90 Å²	90	60.8 Å²	60.8	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-42.7	173.5	177	-87.7	0	0	0	112.2	D941 T948 L1054	D941-Y944 VanDerWaalsContact CG-CB 3.44Å; D941-Y944 WeakPolarHBondContact O-CB 3.45Å; D941-Y944 PolarHBondContact O-N 2.96Å; D941-Y944 PolarHBondContact OD1-N 3.43Å; D941-Y944 VanDerWaalsContact OD2-CB 3.29Å; D941-Y944 WeakPolarHBondContact OD2-CB 3.2Å; Y944-T948 VanDerWaalsContact O-CB 3.3Å; Y944-T948 WeakPolarHBondContact O-CB 3.28Å; Y944-T948 PolarHBondContact O-N 2.94Å; Y944-T948 PolarHBondContact O-OG1 3.07Å; Y944-L1054 HydrophobicContact CD2-CD2 3.87Å
945	E	90	Very high	83	Confident	105 Å²	105	62.8 Å²	62.8	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-46.9	176.3	-70.8	174	176.9	0	0	112	D941 V943 T948 G949	D941-E945 PolarHBondContact O-N 3.08Å; V943-E945 VanDerWaalsContact C-N 3.33Å; V943-E945 PolarHBondContact O-N 3.03Å; E945-T948 WeakPolarHBondContact O-CB 3.44Å; E945-T948 PolarHBondContact O-N 2.95Å; E945-G949 PolarHBondContact O-N 3.15Å
946	N	92.9	Very high	85.1	Confident	33 Å²	33	59.2 Å²	59.2	18%	0.176	31%	0.307	C	S	.	.	H	α-helix	trans	-73.1	-34.8	-179.5	-79.4	-74.7	0	0	0	113.5	K942 V943 T948 G949 L950 T982 L983 T986	K942-N946 WeakPolarHBondContact O-CB 3.45Å; K942-N946 PolarHBondContact O-N 3.23Å; K942-N946 PolarHBondContact O-ND2 3.31Å; V943-N946 PolarHBondContact O-N 3.04Å; N946-T948 VanDerWaalsContact C-N 3.33Å; N946-G949 PolarHBondContact O-N 3.14Å; N946-L950 PolarHBondContact O-N 2.77Å; N946-T982 WeakPolarHBondContact OD1-CB 3.39Å; N946-T982 WeakPolarHBondContact OD1-CG2 3.46Å; N946-L983 HydrophobicContact CB-CB 4Å; N946-L983 HydrophobicContact CB-CD1 4.01Å; N946-T986 PolarHBondContact ND2-OG1 2.94Å
947	V	93.5	Very high	86.5	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-44.3	169.5	171.8	0	0	0	0	110.1	V943 G949 L950 V951 L983 A1050 L1054	V943-V947 WeakPolarHBondContact O-CG2 3.32Å; V943-V947 PolarHBondContact O-N 3.12Å; V947-G949 VanDerWaalsContact C-N 3.3Å; V947-G949 PolarHBondContact O-N 2.69Å; V947-L950 PolarHBondContact O-N 2.95Å; V947-V951 HydrophobicContact CG1-CG2 4.48Å; V947-V951 WeakPolarHBondContact O-CG2 3.39Å; V947-V951 PolarHBondContact O-N 2.97Å; V947-L983 HydrophobicContact CG2-CD1 3.48Å; V947-L983 VanDerWaalsContact CG2-CD1 3.48Å; V947-L983 HydrophobicContact CG2-CD2 3.72Å; V947-L983 HydrophobicContact CG2-CG 4.26Å; V947-A1050 HydrophobicContact CG1-CB 4.46Å; V947-L1054 HydrophobicContact CG1-CD2 4.33Å; V947-L1054 HydrophobicContact CG2-CB 4.21Å
948	T	90	Very high	87.7	Confident	41 Å²	41	53 Å²	53	25%	0.252	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-37.3	174.9	-58.1	0	0	0	0	111.8	Y944 E945 N946 K952	Y944-T948 VanDerWaalsContact O-CB 3.3Å; Y944-T948 WeakPolarHBondContact O-CB 3.28Å; Y944-T948 PolarHBondContact O-N 2.94Å; Y944-T948 PolarHBondContact O-OG1 3.07Å; E945-T948 WeakPolarHBondContact O-CB 3.44Å; E945-T948 PolarHBondContact O-N 2.95Å; N946-T948 VanDerWaalsContact C-N 3.33Å; T948-K952 HydrophobicContact CG2-CD 4.26Å; T948-K952 WeakPolarHBondContact O-CB 3.32Å; T948-K952 VanDerWaalsContact O-CG 3.26Å; T948-K952 WeakPolarHBondContact O-CG 3.19Å; T948-K952 PolarHBondContact O-N 3.42Å
949	G	90	Very high	88.3	Confident	30 Å²	30	56.7 Å²	56.7	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-44.9	173.3	0	0	0	0	0	113.2	E945 N946 V947 K952 A953	E945-G949 PolarHBondContact O-N 3.15Å; N946-G949 PolarHBondContact O-N 3.14Å; V947-G949 VanDerWaalsContact C-N 3.3Å; V947-G949 PolarHBondContact O-N 2.69Å; G949-K952 PolarHBondContact O-N 3.47Å; G949-A953 PolarHBondContact O-N 2.95Å
950	L	94.1	Very high	89.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-43	176	177.4	56.9	0	0	0	112.1	N946 V947 K952 A953 V954 V976 A979 L980 L983 L1046 A1050	N946-L950 PolarHBondContact O-N 2.77Å; V947-L950 PolarHBondContact O-N 2.95Å; L950-K952 VanDerWaalsContact C-N 3.34Å; L950-K952 PolarHBondContact O-N 3.41Å; L950-A953 PolarHBondContact O-N 2.7Å; L950-V954 WeakPolarHBondContact O-CG2 3.37Å; L950-V954 PolarHBondContact O-N 3.04Å; L950-V976 HydrophobicContact CD1-CG1 3.85Å; L950-V976 WeakPolarHBondContact CD1-O 3.22Å; L950-A979 HydrophobicContact CB-CB 4.12Å; L950-A979 HydrophobicContact CD1-CB 4.04Å; L950-L980 HydrophobicContact CD1-CB 4.19Å; L950-L980 HydrophobicContact CD2-CB 4.15Å; L950-L980 HydrophobicContact CD2-CD1 3.85Å; L950-L983 HydrophobicContact CD2-CD2 3.86Å; L950-L1046 HydrophobicContact CD1-CD2 4.37Å; L950-A1050 HydrophobicContact CD2-CB 3.62Å
951	V	92.5	Very high	90.1	Very high	47 Å²	47	51.9 Å²	51.9	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.1	172.1	0	0	0	0	111.1	V947 V954 I955 A1047	V947-V951 HydrophobicContact CG1-CG2 4.48Å; V947-V951 WeakPolarHBondContact O-CG2 3.39Å; V947-V951 PolarHBondContact O-N 2.97Å; V951-V954 PolarHBondContact O-N 3.19Å; V951-I955 HydrophobicContact CG1-CD1 3.83Å; V951-I955 WeakPolarHBondContact O-CG1 3.24Å; V951-I955 PolarHBondContact O-N 3.1Å; V951-A1047 HydrophobicContact CG2-CB 4.27Å
952	K	90.4	Very high	89.6	Confident	136 Å²	136	56.9 Å²	56.9	59%	0.591	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-45.7	174.3	-78	170.8	178.4	177.4	0	112.2	T948 G949 L950 V954 I955 E956	T948-K952 HydrophobicContact CG2-CD 4.26Å; T948-K952 WeakPolarHBondContact O-CB 3.32Å; T948-K952 VanDerWaalsContact O-CG 3.26Å; T948-K952 WeakPolarHBondContact O-CG 3.19Å; T948-K952 PolarHBondContact O-N 3.42Å; G949-K952 PolarHBondContact O-N 3.47Å; L950-K952 VanDerWaalsContact C-N 3.34Å; L950-K952 PolarHBondContact O-N 3.41Å; K952-V954 VanDerWaalsContact C-N 3.31Å; K952-V954 PolarHBondContact O-N 3.48Å; K952-I955 PolarHBondContact O-N 3.44Å; K952-E956 WeakPolarHBondContact O-CB 3.41Å; K952-E956 PolarHBondContact O-N 2.86Å
953	A	93.2	Very high	89	Confident	16 Å²	16	57 Å²	57	13%	0.132	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-38.9	177	0	0	0	0	0	112.4	G949 L950 E956 M957 V976 A979	G949-A953 PolarHBondContact O-N 2.95Å; L950-A953 PolarHBondContact O-N 2.7Å; A953-E956 PolarHBondContact O-N 2.9Å; A953-M957 WeakPolarHBondContact O-CB 3.4Å; A953-M957 PolarHBondContact O-N 3.46Å; A953-V976 HydrophobicContact CB-CG2 4.01Å; A953-A979 HydrophobicContact CB-CB 4.31Å
954	V	93.6	Very high	88.6	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-40.7	174.7	167.4	0	0	0	0	112	L950 V951 K952 S958 V976 A1043 A1047	L950-V954 WeakPolarHBondContact O-CG2 3.37Å; L950-V954 PolarHBondContact O-N 3.04Å; V951-V954 PolarHBondContact O-N 3.19Å; K952-V954 VanDerWaalsContact C-N 3.31Å; K952-V954 PolarHBondContact O-N 3.48Å; V954-S958 WeakPolarHBondContact O-CB 3.38Å; V954-S958 PolarHBondContact O-N 3.03Å; V954-V976 HydrophobicContact CG2-CG1 3.96Å; V954-V976 HydrophobicContact CG2-CG2 4.05Å; V954-A1043 HydrophobicContact CG1-CB 4Å; V954-A1043 WeakPolarHBondContact CG1-O 3.42Å; V954-A1043 HydrophobicContact CG2-CB 4.38Å; V954-A1047 HydrophobicContact CB-CB 4.25Å; V954-A1047 HydrophobicContact CG1-CB 4.04Å; V954-A1047 HydrophobicContact CG2-CB 4.22Å
955	I	89.9	Confident	88.4	Confident	89 Å²	89	54.9 Å²	54.9	46%	0.456	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-41.5	175.5	-68.6	165.8	0	0	0	111.1	V951 K952 S958 N959	V951-I955 HydrophobicContact CG1-CD1 3.83Å; V951-I955 WeakPolarHBondContact O-CG1 3.24Å; V951-I955 PolarHBondContact O-N 3.1Å; K952-I955 PolarHBondContact O-N 3.44Å; I955-S958 WeakPolarHBondContact O-CB 3.29Å; I955-S958 PolarHBondContact O-N 3.32Å; I955-S958 VanDerWaalsContact O-N 3.14Å; I955-N959 PolarHBondContact O-N 2.92Å; I955-N959 PolarHBondContact O-ND2 2.86Å
956	E	90.6	Very high	88.1	Confident	91 Å²	91	51 Å²	51	43%	0.425	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-42.8	177.5	-171.5	172.4	173.5	0	0	111.7	K952 A953 N959 R960	K952-E956 WeakPolarHBondContact O-CB 3.41Å; K952-E956 PolarHBondContact O-N 2.86Å; A953-E956 PolarHBondContact O-N 2.9Å; E956-N959 PolarHBondContact O-N 3.49Å; E956-R960 WeakPolarHBondContact O-CG 3.25Å; E956-R960 PolarHBondContact O-N 3.14Å; E956-R960 VanDerWaalsContact O-N 3.09Å; E956-R960 IonicContact OE1-CZ 2.71Å; E956-R960 IonicContact OE1-NH1 3.03Å; E956-R960 PolarHBondContact OE1-NH1 2.99Å; E956-R960 IonicContact OE1-NH2 3.94Å; E956-R960 PolarHBondContact OE1-NH2 3.34Å
957	M	92.1	Very high	87.7	Confident	3 Å²	3	56 Å²	56	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-44.5	168.6	176.2	175.2	-176.5	0	0	111.6	A953 N959 R960 I961 M972 V973 V976 L1016 M1039 A1043	A953-M957 WeakPolarHBondContact O-CB 3.4Å; A953-M957 PolarHBondContact O-N 3.46Å; M957-N959 PolarHBondContact O-N 3.28Å; M957-R960 PolarHBondContact O-N 3Å; M957-I961 HydrophobicContact CE-CD1 3.77Å; M957-I961 HydrophobicContact CG-CD1 4.13Å; M957-I961 WeakPolarHBondContact O-CB 3.07Å; M957-I961 PolarHBondContact O-N 3.03Å; M957-M972 HydrophobicContact CB-CB 4.31Å; M957-M972 HydrophobicContact CB-SD 4.44Å; M957-M972 HydrophobicContact CG-CB 3.96Å; M957-M972 HydrophobicContact CG-SD 4.12Å; M957-M972 HydrophobicContact SD-CB 4.31Å; M957-V973 HydrophobicContact CE-CG2 3.52Å; M957-V973 HydrophobicContact SD-CG2 4.06Å; M957-V976 HydrophobicContact CB-CG2 4.46Å; M957-V976 HydrophobicContact SD-CG2 4.19Å; M957-L1016 HydrophobicContact CE-CD1 4.19Å; M957-M1039 HydrophobicContact CE-CE 4.5Å; M957-M1039 HydrophobicContact CE-CG 3.54Å; M957-M1039 HydrophobicContact CE-SD 3.57Å; M957-M1039 VanDerWaalsContact CE-SD 3.57Å; M957-A1043 HydrophobicContact SD-CB 4.3Å
958	S	89.8	Confident	87.5	Confident	28 Å²	28	60.3 Å²	60.3	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-43.3	-179	-156.6	0	0	0	0	112.4	V954 I955 H1044	V954-S958 WeakPolarHBondContact O-CB 3.38Å; V954-S958 PolarHBondContact O-N 3.03Å; I955-S958 WeakPolarHBondContact O-CB 3.29Å; I955-S958 PolarHBondContact O-N 3.32Å; I955-S958 VanDerWaalsContact O-N 3.14Å; S958-H1044 PolarHBondContact OG-NE2 3.46Å
959	N	86.9	Confident	87.7	Confident	120 Å²	120	58.3 Å²	58.3	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-67.8	-35.7	176.4	-69.2	-30.9	0	0	0	112.9	I955 E956 M957	I955-N959 PolarHBondContact O-N 2.92Å; I955-N959 PolarHBondContact O-ND2 2.86Å; E956-N959 PolarHBondContact O-N 3.49Å; M957-N959 PolarHBondContact O-N 3.28Å
960	R	85.9	Confident	87.8	Confident	123 Å²	123	60.1 Å²	60.1	46%	0.464	31%	0.313	S	S	.	.	H	α-helix	trans	-81.2	-29.9	180	-75.4	-174.4	-178.1	129.5	16.4	114	E956 M957 Q962 P963 A964 M972	E956-R960 WeakPolarHBondContact O-CG 3.25Å; E956-R960 PolarHBondContact O-N 3.14Å; E956-R960 VanDerWaalsContact O-N 3.09Å; E956-R960 IonicContact OE1-CZ 2.71Å; E956-R960 IonicContact OE1-NH1 3.03Å; E956-R960 PolarHBondContact OE1-NH1 2.99Å; E956-R960 IonicContact OE1-NH2 3.94Å; E956-R960 PolarHBondContact OE1-NH2 3.34Å; M957-R960 PolarHBondContact O-N 3Å; R960-Q962 PolarHBondContact O-N 3.31Å; R960-Q962 VanDerWaalsContact O-N 3.07Å; R960-P963 VanDerWaalsContact O-CD 3.24Å; R960-P963 WeakPolarHBondContact O-CD 3.42Å; R960-P963 WeakPolarHBondContact O-CG 3.32Å; R960-A964 WeakPolarHBondContact O-CB 3.44Å; R960-A964 PolarHBondContact O-N 2.69Å; R960-A964 VanDerWaalsContact O-N 3.14Å; R960-M972 HydrophobicContact CB-CE 4.2Å; R960-M972 HydrophobicContact CB-SD 3.46Å; R960-M972 WeakPolarHBondContact CB-SD 3.28Å
961	I	84.2	Confident	87.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.3	-168.5	-135.8	67.6	0	0	0	114.2	M957 Y969 M972 K1036 M1039 L1040	M957-I961 HydrophobicContact CE-CD1 3.77Å; M957-I961 HydrophobicContact CG-CD1 4.13Å; M957-I961 WeakPolarHBondContact O-CB 3.07Å; M957-I961 PolarHBondContact O-N 3.03Å; I961-Y969 HydrophobicContact CD1-CD1 4.08Å; I961-M972 HydrophobicContact CD1-CE 3.79Å; I961-M972 HydrophobicContact CD1-SD 3.83Å; I961-K1036 WeakPolarHBondContact O-CD 3.46Å; I961-K1036 VanDerWaalsContact O-CE 3.3Å; I961-K1036 WeakPolarHBondContact O-CE 3.48Å; I961-K1036 PolarHBondContact O-NZ 3.39Å; I961-M1039 HydrophobicContact CD1-CE 3.67Å; I961-M1039 HydrophobicContact CD1-SD 4.34Å; I961-M1039 HydrophobicContact CG1-CE 3.68Å; I961-L1040 HydrophobicContact CB-CD2 4.11Å; I961-L1040 HydrophobicContact CG1-CD2 4.48Å; I961-L1040 HydrophobicContact CG2-CD1 3.78Å; I961-L1040 HydrophobicContact CG2-CD2 3.69Å; I961-L1040 HydrophobicContact CG2-CG 3.84Å
962	Q	75.6	Confident	87.6	Confident	119 Å²	119	61.5 Å²	61.5	56%	0.556	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-59.8	-175.1	-63.6	-64.3	-14	0	0	111.8	R960 A964 K1036	R960-Q962 PolarHBondContact O-N 3.31Å; R960-Q962 VanDerWaalsContact O-N 3.07Å; Q962-A964 VanDerWaalsContact C-N 3.31Å; Q962-A964 PolarHBondContact O-N 2.81Å; Q962-K1036 PolarHBondContact O-NZ 3.24Å
963	P	74.5	Confident	87.9	Confident	115 Å²	115	55.3 Å²	55.3	75%	0.747	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.8	174.5	29.7	-37.5	0	0	0	114.2	R960	R960-P963 VanDerWaalsContact O-CD 3.24Å; R960-P963 WeakPolarHBondContact O-CD 3.42Å; R960-P963 WeakPolarHBondContact O-CG 3.32Å
964	A	81	Confident	87.9	Confident	8 Å²	8	61.9 Å²	61.9	7%	0.066	32%	0.321	C	S	.	.			trans	-63.5	146.5	-168.7	0	0	0	0	0	115.7	R960 Q962 E968 Y969 M972 K1036	R960-A964 WeakPolarHBondContact O-CB 3.44Å; R960-A964 PolarHBondContact O-N 2.69Å; R960-A964 VanDerWaalsContact O-N 3.14Å; Q962-A964 VanDerWaalsContact C-N 3.31Å; Q962-A964 PolarHBondContact O-N 2.81Å; A964-E968 WeakPolarHBondContact CA-OE2 3.5Å; A964-E968 HydrophobicContact CB-CB 4.24Å; A964-E968 WeakPolarHBondContact CB-OE2 3.39Å; A964-Y969 HydrophobicContact CB-CD1 4.49Å; A964-Y969 HydrophobicContact CB-CE1 4.28Å; A964-M972 HydrophobicContact CB-CE 3.52Å; A964-K1036 PolarHBondContact O-NZ 2.89Å
965	A	84.7	Confident	87.9	Confident	39 Å²	39	65.3 Å²	65.3	32%	0.322	34%	0.339	S	S	.	.			trans	-81.1	156.2	171.7	0	0	0	0	0	111.7	E967 E968 Y969	A965-E967 WeakPolarHBondContact CB-OE2 3.34Å; A965-E967 PolarHBondContact O-N 3.47Å; A965-E968 HydrophobicContact CB-CG 4.44Å; A965-E968 PolarHBondContact N-OE2 3.14Å; A965-E968 WeakPolarHBondContact O-CB 3.15Å; A965-E968 PolarHBondContact O-N 3.02Å; A965-Y969 VanDerWaalsContact O-CD1 3.31Å; A965-Y969 WeakPolarHBondContact O-CD1 3.49Å; A965-Y969 VanDerWaalsContact O-CE1 3.23Å; A965-Y969 WeakPolarHBondContact O-CE1 3.24Å
966	P	84.4	Confident	88.2	Confident	24 Å²	24	61 Å²	61	16%	0.156	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.4	-175.8	25	-34	0	0	0	114.8	E968 Y969 Q1024 V1027	P966-E968 VanDerWaalsContact C-N 3.28Å; P966-Y969 HydrophobicContact CB-CD2 4.47Å; P966-Y969 HydrophobicContact CB-CE2 4Å; P966-Q1024 HydrophobicContact CB-CG 4.36Å; P966-Q1024 PolarHBondContact O-NE2 3.21Å; P966-V1027 HydrophobicContact CB-CB 4.31Å; P966-V1027 HydrophobicContact CB-CG1 4.36Å; P966-V1027 HydrophobicContact CB-CG2 3.95Å; P966-V1027 HydrophobicContact CG-CB 4.45Å; P966-V1027 HydrophobicContact CG-CG1 4.16Å; P966-V1027 HydrophobicContact CG-CG2 3.9Å
967	E	85.8	Confident	88.4	Confident	138 Å²	138	57.1 Å²	57.1	65%	0.645	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.8	173.6	-63	67.9	-148.3	0	0	111.4	A965 P971	A965-E967 WeakPolarHBondContact CB-OE2 3.34Å; A965-E967 PolarHBondContact O-N 3.47Å; E967-P971 WeakPolarHBondContact O-CD 3.46Å
968	E	89.1	Confident	88.5	Confident	95 Å²	95	61.4 Å²	61.4	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.3	-175.5	-57	-179.9	108.9	0	0	113.2	A964 A965 P966 V970 P971 M972	A964-E968 WeakPolarHBondContact CA-OE2 3.5Å; A964-E968 HydrophobicContact CB-CB 4.24Å; A964-E968 WeakPolarHBondContact CB-OE2 3.39Å; A965-E968 HydrophobicContact CB-CG 4.44Å; A965-E968 PolarHBondContact N-OE2 3.14Å; A965-E968 WeakPolarHBondContact O-CB 3.15Å; A965-E968 PolarHBondContact O-N 3.02Å; P966-E968 VanDerWaalsContact C-N 3.28Å; E968-V970 VanDerWaalsContact C-N 3.25Å; E968-V970 PolarHBondContact O-N 2.94Å; E968-P971 VanDerWaalsContact O-CD 3.27Å; E968-P971 WeakPolarHBondContact O-CD 3.38Å; E968-P971 VanDerWaalsContact O-CG 3.29Å; E968-P971 WeakPolarHBondContact O-CG 3.29Å; E968-M972 HydrophobicContact CB-CE 3.86Å; E968-M972 WeakPolarHBondContact O-CE 3.42Å; E968-M972 PolarHBondContact O-N 3.5Å
969	Y	92.6	Very high	88.8	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-33	178.1	-53.9	-10.7	0	0	0	111.6	I961 A964 A965 P966 M972 V973 A1023 Q1024 K1036 M1039	I961-Y969 HydrophobicContact CD1-CD1 4.08Å; A964-Y969 HydrophobicContact CB-CD1 4.49Å; A964-Y969 HydrophobicContact CB-CE1 4.28Å; A965-Y969 VanDerWaalsContact O-CD1 3.31Å; A965-Y969 WeakPolarHBondContact O-CD1 3.49Å; A965-Y969 VanDerWaalsContact O-CE1 3.23Å; A965-Y969 WeakPolarHBondContact O-CE1 3.24Å; P966-Y969 HydrophobicContact CB-CD2 4.47Å; P966-Y969 HydrophobicContact CB-CE2 4Å; Y969-M972 HydrophobicContact CD1-CE 4.26Å; Y969-M972 PolarHBondContact O-N 2.85Å; Y969-V973 WeakPolarHBondContact O-CG2 3.34Å; Y969-V973 PolarHBondContact O-N 3.34Å; Y969-A1023 HydrophobicContact CD2-CB 4.09Å; Y969-A1023 HydrophobicContact CE2-CB 3.87Å; Y969-Q1024 HydrophobicContact CD2-CG 3.69Å; Y969-Q1024 HydrophobicContact CE2-CG 4.27Å; Y969-K1036 WeakPolarHBondContact OH-CE 2.94Å; Y969-M1039 HydrophobicContact CD1-CE 4.41Å; Y969-M1039 HydrophobicContact CD2-CE 3.92Å; Y969-M1039 HydrophobicContact CE2-CE 4.28Å; Y969-M1039 HydrophobicContact CG-CE 4.03Å
970	V	92.1	Very high	89.3	Confident	68 Å²	68	55.4 Å²	55.4	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-51.6	-178.6	-174.6	0	0	0	0	112.6	E968 M972 V973 K974 M1020 Q1024	E968-V970 VanDerWaalsContact C-N 3.25Å; E968-V970 PolarHBondContact O-N 2.94Å; V970-M972 PolarHBondContact O-N 3.35Å; V970-V973 PolarHBondContact O-N 3.21Å; V970-K974 VanDerWaalsContact O-CB 3.24Å; V970-K974 WeakPolarHBondContact O-CB 3.47Å; V970-K974 PolarHBondContact O-N 3.11Å; V970-M1020 HydrophobicContact CG2-CE 4.19Å; V970-M1020 HydrophobicContact CG2-SD 4.24Å; V970-Q1024 VanDerWaalsContact CG2-NE2 3.3Å
971	P	91.9	Very high	89.7	Confident	62 Å²	62	57.6 Å²	57.6	40%	0.403	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-43.2	173.6	18.6	-28.6	0	0	0	112.2	E967 E968 V973 K974 D975	E967-P971 WeakPolarHBondContact O-CD 3.46Å; E968-P971 VanDerWaalsContact O-CD 3.27Å; E968-P971 WeakPolarHBondContact O-CD 3.38Å; E968-P971 VanDerWaalsContact O-CG 3.29Å; E968-P971 WeakPolarHBondContact O-CG 3.29Å; P971-V973 PolarHBondContact O-N 3.07Å; P971-K974 CarbonylContact O-C 3.51Å; P971-K974 WeakPolarHBondContact O-CA 3.45Å; P971-K974 WeakPolarHBondContact O-CB 3.39Å; P971-K974 PolarHBondContact O-N 2.82Å; P971-K974 VanDerWaalsContact O-N 3.07Å; P971-D975 PolarHBondContact O-N 3.26Å
972	M	92.1	Very high	90.2	Very high	13 Å²	13	60.6 Å²	60.6	6%	0.064	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-46.7	178.5	-74.4	-173.6	-97.3	0	0	113.5	M957 R960 I961 A964 E968 Y969 V970 K974 D975 V976	M957-M972 HydrophobicContact CB-CB 4.31Å; M957-M972 HydrophobicContact CB-SD 4.44Å; M957-M972 HydrophobicContact CG-CB 3.96Å; M957-M972 HydrophobicContact CG-SD 4.12Å; M957-M972 HydrophobicContact SD-CB 4.31Å; R960-M972 HydrophobicContact CB-CE 4.2Å; R960-M972 HydrophobicContact CB-SD 3.46Å; R960-M972 WeakPolarHBondContact CB-SD 3.28Å; I961-M972 HydrophobicContact CD1-CE 3.79Å; I961-M972 HydrophobicContact CD1-SD 3.83Å; A964-M972 HydrophobicContact CB-CE 3.52Å; E968-M972 HydrophobicContact CB-CE 3.86Å; E968-M972 WeakPolarHBondContact O-CE 3.42Å; E968-M972 PolarHBondContact O-N 3.5Å; Y969-M972 HydrophobicContact CD1-CE 4.26Å; Y969-M972 PolarHBondContact O-N 2.85Å; V970-M972 PolarHBondContact O-N 3.35Å; M972-K974 VanDerWaalsContact C-N 3.34Å; M972-D975 PolarHBondContact O-N 3.3Å; M972-V976 WeakPolarHBondContact O-CG2 3.26Å; M972-V976 PolarHBondContact O-N 3.09Å
973	V	95.5	Very high	91.1	Very high	6 Å²	6	55 Å²	55	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-71.3	-30.1	177.2	173.7	0	0	0	0	111.9	M957 Y969 V970 P971 G977 L1016 I1017 M1020 M1039	M957-V973 HydrophobicContact CE-CG2 3.52Å; M957-V973 HydrophobicContact SD-CG2 4.06Å; Y969-V973 WeakPolarHBondContact O-CG2 3.34Å; Y969-V973 PolarHBondContact O-N 3.34Å; V970-V973 PolarHBondContact O-N 3.21Å; P971-V973 PolarHBondContact O-N 3.07Å; V973-G977 PolarHBondContact O-N 3.17Å; V973-L1016 HydrophobicContact CG1-CD2 4.24Å; V973-L1016 HydrophobicContact CG1-CG 4.07Å; V973-L1016 HydrophobicContact CG2-CD1 4.3Å; V973-L1016 HydrophobicContact CG2-CD2 4.44Å; V973-L1016 HydrophobicContact CG2-CG 4.13Å; V973-I1017 HydrophobicContact CG1-CG1 3.69Å; V973-M1020 HydrophobicContact CB-CG 4.5Å; V973-M1020 HydrophobicContact CB-SD 3.75Å; V973-M1020 HydrophobicContact CG1-SD 4.17Å; V973-M1020 HydrophobicContact CG2-CB 4.07Å; V973-M1020 HydrophobicContact CG2-CG 3.86Å; V973-M1020 HydrophobicContact CG2-SD 3.78Å; V973-M1039 HydrophobicContact CG2-SD 4.44Å
974	K	93.2	Very high	92	Very high	154 Å²	154	50.4 Å²	50.4	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-66.1	-38.2	173.8	-177.9	-170.8	175	-167.4	0	111.9	V970 P971 M972 G977 L978	V970-K974 VanDerWaalsContact O-CB 3.24Å; V970-K974 WeakPolarHBondContact O-CB 3.47Å; V970-K974 PolarHBondContact O-N 3.11Å; P971-K974 CarbonylContact O-C 3.51Å; P971-K974 WeakPolarHBondContact O-CA 3.45Å; P971-K974 WeakPolarHBondContact O-CB 3.39Å; P971-K974 PolarHBondContact O-N 2.82Å; P971-K974 VanDerWaalsContact O-N 3.07Å; M972-K974 VanDerWaalsContact C-N 3.34Å; K974-G977 CarbonylContact O-C 3.59Å; K974-G977 PolarHBondContact O-N 2.63Å; K974-L978 WeakPolarHBondContact O-CB 3.46Å; K974-L978 PolarHBondContact O-N 2.99Å
975	D	94.4	Very high	92.6	Very high	76 Å²	76	52.4 Å²	52.4	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-70.2	-42.6	179.2	-62.5	-26.6	0	0	0	111.1	P971 M972 G977 L978 A979	P971-D975 PolarHBondContact O-N 3.26Å; M972-D975 PolarHBondContact O-N 3.3Å; D975-G977 VanDerWaalsContact C-N 3.34Å; D975-G977 PolarHBondContact O-N 2.53Å; D975-L978 WeakPolarHBondContact O-CB 3.41Å; D975-L978 PolarHBondContact O-N 2.85Å; D975-A979 PolarHBondContact O-N 2.85Å
976	V	95.8	Very high	93	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-44.9	169.3	172.7	0	0	0	0	111.2	L950 A953 V954 M957 M972 L978 A979 L980 L1016 L1046	L950-V976 HydrophobicContact CD1-CG1 3.85Å; L950-V976 WeakPolarHBondContact CD1-O 3.22Å; A953-V976 HydrophobicContact CB-CG2 4.01Å; V954-V976 HydrophobicContact CG2-CG1 3.96Å; V954-V976 HydrophobicContact CG2-CG2 4.05Å; M957-V976 HydrophobicContact CB-CG2 4.46Å; M957-V976 HydrophobicContact SD-CG2 4.19Å; M972-V976 WeakPolarHBondContact O-CG2 3.26Å; M972-V976 PolarHBondContact O-N 3.09Å; V976-L978 VanDerWaalsContact C-N 3.31Å; V976-L978 PolarHBondContact O-N 1.77Å; V976-A979 PolarHBondContact O-N 2.79Å; V976-L980 PolarHBondContact O-N 2.84Å; V976-L1016 HydrophobicContact CB-CD2 4.47Å; V976-L1016 HydrophobicContact CG1-CD2 3.85Å; V976-L1046 HydrophobicContact CG1-CD2 3.56Å
977	G	95.3	Very high	93.3	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-27.3	176.5	0	0	0	0	0	114.4	V973 K974 D975 R981	V973-G977 PolarHBondContact O-N 3.17Å; K974-G977 CarbonylContact O-C 3.59Å; K974-G977 PolarHBondContact O-N 2.63Å; D975-G977 VanDerWaalsContact C-N 3.34Å; D975-G977 PolarHBondContact O-N 2.53Å; G977-R981 PolarHBondContact O-N 2.86Å
978	L	94.7	Very high	93.6	Very high	92 Å²	92	47.7 Å²	47.7	48%	0.482	25%	0.251	S	S	.	.	H	α-helix	trans	-73.2	-46.6	173.3	-177.9	62.1	0	0	0	110.8	K974 D975 V976 L980 R981 T982	K974-L978 WeakPolarHBondContact O-CB 3.46Å; K974-L978 PolarHBondContact O-N 2.99Å; D975-L978 WeakPolarHBondContact O-CB 3.41Å; D975-L978 PolarHBondContact O-N 2.85Å; V976-L978 VanDerWaalsContact C-N 3.31Å; V976-L978 PolarHBondContact O-N 1.77Å; L978-L980 VanDerWaalsContact C-N 3.32Å; L978-L980 PolarHBondContact O-N 2.96Å; L978-R981 WeakPolarHBondContact O-CB 3.45Å; L978-R981 PolarHBondContact O-N 3.29Å; L978-R981 VanDerWaalsContact O-N 3.11Å; L978-T982 PolarHBondContact O-N 3.4Å; L978-T982 VanDerWaalsContact O-N 3.09Å; L978-T982 PolarHBondContact O-OG1 2.85Å; L978-T982 VanDerWaalsContact O-OG1 3.12Å
979	A	94.9	Very high	93.7	Very high	20 Å²	20	49.3 Å²	49.3	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-41.3	175.8	0	0	0	0	0	112	L950 A953 D975 V976 R981 T982 L983	L950-A979 HydrophobicContact CB-CB 4.12Å; L950-A979 HydrophobicContact CD1-CB 4.04Å; A953-A979 HydrophobicContact CB-CB 4.31Å; D975-A979 PolarHBondContact O-N 2.85Å; V976-A979 PolarHBondContact O-N 2.79Å; A979-R981 PolarHBondContact O-N 2.78Å; A979-T982 PolarHBondContact O-N 3.34Å; A979-L983 PolarHBondContact O-N 2.97Å
980	L	96.6	Very high	93.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-40.6	173.5	178.7	62.4	0	0	0	112.1	L950 V976 L978 T982 L983 L984 L1009 L1013 L1046	L950-L980 HydrophobicContact CD1-CB 4.19Å; L950-L980 HydrophobicContact CD2-CB 4.15Å; L950-L980 HydrophobicContact CD2-CD1 3.85Å; V976-L980 PolarHBondContact O-N 2.84Å; L978-L980 VanDerWaalsContact C-N 3.32Å; L978-L980 PolarHBondContact O-N 2.96Å; L980-T982 VanDerWaalsContact C-N 3.35Å; L980-T982 PolarHBondContact O-N 3.41Å; L980-L983 HydrophobicContact CD1-CD2 4.35Å; L980-L983 WeakPolarHBondContact O-CB 3.47Å; L980-L983 PolarHBondContact O-N 2.75Å; L980-L984 HydrophobicContact CD1-CD1 4.13Å; L980-L984 HydrophobicContact CD1-CD2 4.41Å; L980-L984 HydrophobicContact CD1-CG 3.96Å; L980-L984 HydrophobicContact CD2-CD1 4.4Å; L980-L984 HydrophobicContact CG-CD1 3.91Å; L980-L984 HydrophobicContact CG-CG 4.2Å; L980-L984 VanDerWaalsContact O-CG 3.32Å; L980-L984 WeakPolarHBondContact O-CG 3.22Å; L980-L984 PolarHBondContact O-N 3.5Å; L980-L1009 HydrophobicContact CD1-CB 3.82Å; L980-L1009 HydrophobicContact CD1-CD1 3.84Å; L980-L1009 HydrophobicContact CD1-CG 4.32Å; L980-L1009 HydrophobicContact CD2-CB 4.24Å; L980-L1013 HydrophobicContact CD2-CB 3.86Å; L980-L1013 HydrophobicContact CD2-CD2 3.87Å; L980-L1013 HydrophobicContact CD2-CG 4.42Å; L980-L1046 HydrophobicContact CD1-CD1 4.48Å; L980-L1046 HydrophobicContact CD2-CD1 3.96Å
981	R	95	Very high	93.3	Very high	169 Å²	169	48.5 Å²	48.5	64%	0.638	25%	0.253	S	S	*	.	H	α-helix	trans	-62.1	-42.4	177.8	-171.8	-178.4	-61.9	129.3	6.2	111.8	G977 L978 A979 L984 A985	G977-R981 PolarHBondContact O-N 2.86Å; L978-R981 WeakPolarHBondContact O-CB 3.45Å; L978-R981 PolarHBondContact O-N 3.29Å; L978-R981 VanDerWaalsContact O-N 3.11Å; A979-R981 PolarHBondContact O-N 2.78Å; R981-L984 PolarHBondContact O-N 3.32Å; R981-A985 WeakPolarHBondContact O-CB 3.38Å; R981-A985 PolarHBondContact O-N 3.16Å
982	T	94.4	Very high	93.1	Very high	64 Å²	64	50.4 Å²	50.4	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.5	-43.8	0	0	0	0	111.5	N946 L978 A979 L980 T986	N946-T982 WeakPolarHBondContact OD1-CB 3.39Å; N946-T982 WeakPolarHBondContact OD1-CG2 3.46Å; L978-T982 PolarHBondContact O-N 3.4Å; L978-T982 VanDerWaalsContact O-N 3.09Å; L978-T982 PolarHBondContact O-OG1 2.85Å; L978-T982 VanDerWaalsContact O-OG1 3.12Å; A979-T982 PolarHBondContact O-N 3.34Å; L980-T982 VanDerWaalsContact C-N 3.35Å; L980-T982 PolarHBondContact O-N 3.41Å; T982-T986 WeakPolarHBondContact O-CB 3.21Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 VanDerWaalsContact O-N 3.08Å; T982-T986 PolarHBondContact O-OG1 2.72Å
983	L	94.7	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-52.9	171.5	173.1	58	0	0	0	111.9	V943 N946 V947 L950 A979 L980 A985 T986 V987 A1050	V943-L983 HydrophobicContact CG1-CD1 4.23Å; N946-L983 HydrophobicContact CB-CB 4Å; N946-L983 HydrophobicContact CB-CD1 4.01Å; V947-L983 HydrophobicContact CG2-CD1 3.48Å; V947-L983 VanDerWaalsContact CG2-CD1 3.48Å; V947-L983 HydrophobicContact CG2-CD2 3.72Å; V947-L983 HydrophobicContact CG2-CG 4.26Å; L950-L983 HydrophobicContact CD2-CD2 3.86Å; A979-L983 PolarHBondContact O-N 2.97Å; L980-L983 HydrophobicContact CD1-CD2 4.35Å; L980-L983 WeakPolarHBondContact O-CB 3.47Å; L980-L983 PolarHBondContact O-N 2.75Å; L983-A985 PolarHBondContact O-N 3.39Å; L983-T986 WeakPolarHBondContact O-CB 3.37Å; L983-T986 PolarHBondContact O-N 2.9Å; L983-T986 VanDerWaalsContact O-N 3.16Å; L983-V987 HydrophobicContact CD1-CG2 3.98Å; L983-V987 WeakPolarHBondContact O-CG2 3.37Å; L983-V987 PolarHBondContact O-N 2.8Å; L983-A1050 HydrophobicContact CD2-CB 4.11Å
984	L	93.8	Very high	92.3	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-46.3	-177.4	-70.5	172.9	0	0	0	111.7	L980 R981 T986 V987 D988 Q1006 L1009 N1010	L980-L984 HydrophobicContact CD1-CD1 4.13Å; L980-L984 HydrophobicContact CD1-CD2 4.41Å; L980-L984 HydrophobicContact CD1-CG 3.96Å; L980-L984 HydrophobicContact CD2-CD1 4.4Å; L980-L984 HydrophobicContact CG-CD1 3.91Å; L980-L984 HydrophobicContact CG-CG 4.2Å; L980-L984 VanDerWaalsContact O-CG 3.32Å; L980-L984 WeakPolarHBondContact O-CG 3.22Å; L980-L984 PolarHBondContact O-N 3.5Å; R981-L984 PolarHBondContact O-N 3.32Å; L984-T986 VanDerWaalsContact C-N 3.32Å; L984-T986 PolarHBondContact O-N 2.97Å; L984-V987 CarbonylContact O-C 3.57Å; L984-V987 PolarHBondContact O-N 3.12Å; L984-V987 VanDerWaalsContact O-N 3.1Å; L984-D988 VanDerWaalsContact O-CG 3.32Å; L984-D988 PolarHBondContact O-N 3.1Å; L984-Q1006 HydrophobicContact CD2-CB 3.82Å; L984-Q1006 HydrophobicContact CD2-CG 3.72Å; L984-L1009 HydrophobicContact CD2-CD1 4.41Å; L984-N1010 WeakPolarHBondContact CD1-ND2 3.3Å
985	A	92.9	Very high	92	Very high	49 Å²	49	49.1 Å²	49.1	41%	0.405	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-39.2	176.3	0	0	0	0	0	112.8	R981 L983 V987 D988 E989	R981-A985 WeakPolarHBondContact O-CB 3.38Å; R981-A985 PolarHBondContact O-N 3.16Å; L983-A985 PolarHBondContact O-N 3.39Å; A985-V987 VanDerWaalsContact C-N 3.31Å; A985-V987 PolarHBondContact O-N 2.67Å; A985-D988 PolarHBondContact O-N 2.72Å; A985-E989 PolarHBondContact O-N 3.24Å
986	T	93.1	Very high	91.5	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-33.4	175.7	-55.8	0	0	0	0	111.9	K942 V943 N946 T982 L983 L984 T990	K942-T986 HydrophobicContact CB-CG2 3.51Å; K942-T986 HydrophobicContact CD-CG2 4.25Å; V943-T986 HydrophobicContact CG2-CG2 4.04Å; N946-T986 PolarHBondContact ND2-OG1 2.94Å; T982-T986 WeakPolarHBondContact O-CB 3.21Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 VanDerWaalsContact O-N 3.08Å; T982-T986 PolarHBondContact O-OG1 2.72Å; L983-T986 WeakPolarHBondContact O-CB 3.37Å; L983-T986 PolarHBondContact O-N 2.9Å; L983-T986 VanDerWaalsContact O-N 3.16Å; L984-T986 VanDerWaalsContact C-N 3.32Å; L984-T986 PolarHBondContact O-N 2.97Å; T986-T990 WeakPolarHBondContact O-CB 3.25Å; T986-T990 PolarHBondContact O-N 3.15Å; T986-T990 PolarHBondContact O-OG1 2.76Å
987	V	92.1	Very high	90.8	Very high	1 Å²	1	54 Å²	54	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-71.7	-38.8	173.4	171.8	0	0	0	0	110.9	V943 L983 L984 A985 E989 T990 I991 I1002 Q1006 L1053 I1057	V943-V987 HydrophobicContact CG1-CG2 3.99Å; V943-V987 HydrophobicContact CG2-CG2 4.43Å; L983-V987 HydrophobicContact CD1-CG2 3.98Å; L983-V987 WeakPolarHBondContact O-CG2 3.37Å; L983-V987 PolarHBondContact O-N 2.8Å; L984-V987 CarbonylContact O-C 3.57Å; L984-V987 PolarHBondContact O-N 3.12Å; L984-V987 VanDerWaalsContact O-N 3.1Å; A985-V987 VanDerWaalsContact C-N 3.31Å; A985-V987 PolarHBondContact O-N 2.67Å; V987-E989 VanDerWaalsContact C-N 3.34Å; V987-E989 PolarHBondContact O-N 2.88Å; V987-T990 CarbonylContact O-C 3.57Å; V987-T990 WeakPolarHBondContact O-CA 3.29Å; V987-T990 WeakPolarHBondContact O-CB 3.3Å; V987-T990 PolarHBondContact O-N 2.86Å; V987-I991 HydrophobicContact CG1-CD1 4.17Å; V987-I991 HydrophobicContact CG1-CG1 4.24Å; V987-I991 WeakPolarHBondContact O-CG1 3.42Å; V987-I991 PolarHBondContact O-N 3.2Å; V987-I1002 HydrophobicContact CG1-CG2 3.6Å; V987-Q1006 HydrophobicContact CG1-CG 4.28Å; V987-L1053 HydrophobicContact CG1-CD1 4.49Å; V987-L1053 HydrophobicContact CG2-CD2 4.21Å; V987-I1057 HydrophobicContact CB-CD1 4.45Å; V987-I1057 HydrophobicContact CG1-CD1 3.91Å; V987-I1057 HydrophobicContact CG2-CD1 3.72Å
988	D	91.5	Very high	90.2	Very high	89 Å²	89	53.7 Å²	53.7	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-38	173.7	-65.8	-34.3	0	0	0	112.1	L984 A985 T990 P992 Q1006	L984-D988 VanDerWaalsContact O-CG 3.32Å; L984-D988 PolarHBondContact O-N 3.1Å; A985-D988 PolarHBondContact O-N 2.72Å; D988-T990 PolarHBondContact O-N 3.06Å; D988-P992 VanDerWaalsContact O-CD 3.22Å; D988-P992 WeakPolarHBondContact O-CD 3.48Å; D988-Q1006 PolarHBondContact OD1-NE2 3.24Å
989	E	91.1	Very high	89.9	Confident	130 Å²	130	51.6 Å²	51.6	61%	0.607	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-27.9	168.5	-74.9	-178.5	-168.3	0	0	112.8	K942 A985 V987	K942-E989 IonicContact NZ-OE2 2.69Å; K942-E989 PolarHBondContact NZ-OE2 2.89Å; A985-E989 PolarHBondContact O-N 3.24Å; V987-E989 VanDerWaalsContact C-N 3.34Å; V987-E989 PolarHBondContact O-N 2.88Å
990	T	86.9	Confident	89.5	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-92.1	-29.3	-174.3	-56.1	0	0	0	0	113.3	V943 T986 V987 D988 V993 L994	V943-T990 HydrophobicContact CG2-CG2 4.36Å; T986-T990 WeakPolarHBondContact O-CB 3.25Å; T986-T990 PolarHBondContact O-N 3.15Å; T986-T990 PolarHBondContact O-OG1 2.76Å; V987-T990 CarbonylContact O-C 3.57Å; V987-T990 WeakPolarHBondContact O-CA 3.29Å; V987-T990 WeakPolarHBondContact O-CB 3.3Å; V987-T990 PolarHBondContact O-N 2.86Å; D988-T990 PolarHBondContact O-N 3.06Å; T990-V993 HydrophobicContact CG2-CG2 4.43Å; T990-V993 WeakPolarHBondContact O-CG2 3.44Å; T990-V993 PolarHBondContact O-N 3.32Å; T990-L994 HydrophobicContact CG2-CD1 4.09Å; T990-L994 HydrophobicContact CG2-CG 4.3Å
991	I	88.9	Confident	88.9	Confident	27 Å²	27	64.3 Å²	64.3	14%	0.138	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-52.6	-46.7	-179.3	-76.5	165.3	0	0	0	112.9	V987 V993 L994 H999 I1002	V987-I991 HydrophobicContact CG1-CD1 4.17Å; V987-I991 HydrophobicContact CG1-CG1 4.24Å; V987-I991 WeakPolarHBondContact O-CG1 3.42Å; V987-I991 PolarHBondContact O-N 3.2Å; I991-V993 PolarHBondContact O-N 3.05Å; I991-V993 VanDerWaalsContact O-N 3.12Å; I991-L994 PolarHBondContact O-N 3.04Å; I991-H999 HydrophobicContact CG2-CB 4.45Å; I991-H999 PolarHBondContact O-NE2 2.77Å; I991-I1002 HydrophobicContact CD1-CG2 3.76Å; I991-I1002 HydrophobicContact CG1-CG2 3.79Å
992	P	88.4	Confident	88.6	Confident	101 Å²	101	56.3 Å²	56.3	66%	0.656	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-61.5	-22.3	-176.8	-26.2	35.9	0	0	0	115.6	D988	D988-P992 VanDerWaalsContact O-CD 3.22Å; D988-P992 WeakPolarHBondContact O-CD 3.48Å
993	V	84.8	Confident	88.3	Confident	101 Å²	101	57.3 Å²	57.3	61%	0.612	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-94.4	-4.5	177.3	-63.8	0	0	0	0	113.5	T990 I991 M1064	T990-V993 HydrophobicContact CG2-CG2 4.43Å; T990-V993 WeakPolarHBondContact O-CG2 3.44Å; T990-V993 PolarHBondContact O-N 3.32Å; I991-V993 PolarHBondContact O-N 3.05Å; I991-V993 VanDerWaalsContact O-N 3.12Å; V993-M1064 WeakPolarHBondContact O-CE 3.36Å
994	L	86.7	Confident	87.9	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.063	34%	0.343	C	S	.	.	S	Bend	trans	-94	159.1	175.5	-64.9	176.5	0	0	0	111.8	T990 I991 A996 H999 I1002 I1057 R1061 M1064	T990-L994 HydrophobicContact CG2-CD1 4.09Å; T990-L994 HydrophobicContact CG2-CG 4.3Å; I991-L994 PolarHBondContact O-N 3.04Å; L994-A996 PolarHBondContact O-N 3.44Å; L994-H999 PolarHBondContact O-NE2 2.65Å; L994-I1002 HydrophobicContact CD1-CD1 3.53Å; L994-I1057 HydrophobicContact CD1-CG1 4.37Å; L994-I1057 HydrophobicContact CD1-CG2 4.28Å; L994-R1061 HydrophobicContact CD2-CG 3.97Å; L994-M1064 HydrophobicContact CD2-SD 4.01Å
995	P	85.7	Confident	87.6	Confident	33 Å²	33	62.3 Å²	62.3	21%	0.214	35%	0.345	C	S	.	.			trans	-65.1	134.7	-178.1	-20.4	33.8	0	0	0	112.1	S997 T998 H999 M1064	P995-S997 PolarHBondContact O-N 2.7Å; P995-T998 PolarHBondContact O-N 3.23Å; P995-T998 PolarHBondContact O-OG1 2.96Å; P995-H999 PolarHBondContact O-CD2 3.47Å; P995-M1064 HydrophobicContact CG-CG 3.64Å; P995-M1064 HydrophobicContact CG-SD 4.25Å
996	A	83.5	Confident	87.4	Confident	80 Å²	80	60.8 Å²	60.8	66%	0.661	33%	0.33	S	S	*	.	H	α-helix	trans	-56.9	-21.8	-176.7	0	0	0	0	0	114.9	L994 T998	L994-A996 PolarHBondContact O-N 3.44Å; A996-T998 PolarHBondContact O-N 3.03Å
997	S	81.1	Confident	87.2	Confident	98 Å²	98	66.4 Å²	66.4	69%	0.685	35%	0.353	S	S	*	.	H	α-helix	trans	-66.7	-20.5	172.5	49.8	0	0	0	0	114.2	P995	P995-S997 PolarHBondContact O-N 2.7Å
998	T	83.6	Confident	87.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-100.6	-18.3	-177.1	66	0	0	0	0	113.4	P995 A996 R1000 E1001 I1002 S1060	P995-T998 PolarHBondContact O-N 3.23Å; P995-T998 PolarHBondContact O-OG1 2.96Å; A996-T998 PolarHBondContact O-N 3.03Å; T998-R1000 VanDerWaalsContact C-N 3.26Å; T998-R1000 PolarHBondContact O-N 3.43Å; T998-E1001 WeakPolarHBondContact O-CB 3.4Å; T998-E1001 PolarHBondContact O-N 2.97Å; T998-I1002 PolarHBondContact O-N 3.15Å; T998-I1002 VanDerWaalsContact O-N 3.14Å; T998-S1060 WeakPolarHBondContact CB-OG 3.36Å; T998-S1060 WeakPolarHBondContact CG2-OG 3.29Å
999	H	88.6	Confident	87.1	Confident	49 Å²	49	65.6 Å²	65.6	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-53	-42.7	-178	-65.7	-178.5	0	0	0	112.5	I991 L994 P995 E1001 I1002 E1003	I991-H999 HydrophobicContact CG2-CB 4.45Å; I991-H999 PolarHBondContact O-NE2 2.77Å; L994-H999 PolarHBondContact O-NE2 2.65Å; P995-H999 PolarHBondContact O-CD2 3.47Å; H999-E1001 VanDerWaalsContact C-N 3.32Å; H999-E1001 PolarHBondContact O-N 2.76Å; H999-I1002 PolarHBondContact O-N 3.07Å; H999-E1003 PolarHBondContact O-N 3.33Å
1000	R	85.5	Confident	87.2	Confident	191 Å²	191	63.5 Å²	63.5	72%	0.721	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-32.5	178.9	-174.4	176	179.1	169.4	2.1	113.4	T998 M1004	T998-R1000 VanDerWaalsContact C-N 3.26Å; T998-R1000 PolarHBondContact O-N 3.43Å; R1000-M1004 HydrophobicContact CG-CE 4.44Å; R1000-M1004 WeakPolarHBondContact O-CE 3.45Å; R1000-M1004 VanDerWaalsContact O-CG 3.29Å; R1000-M1004 WeakPolarHBondContact O-CG 3.34Å; R1000-M1004 PolarHBondContact O-N 3.5Å
1001	E	84.4	Confident	87.4	Confident	98 Å²	98	65.8 Å²	65.8	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-73.4	-42.2	177.8	-60.3	-177.2	149.8	0	0	110.1	T998 H999 M1004 A1005 V1056	T998-E1001 WeakPolarHBondContact O-CB 3.4Å; T998-E1001 PolarHBondContact O-N 2.97Å; H999-E1001 VanDerWaalsContact C-N 3.32Å; H999-E1001 PolarHBondContact O-N 2.76Å; E1001-M1004 PolarHBondContact O-N 3.28Å; E1001-A1005 PolarHBondContact O-N 3.04Å; E1001-A1005 VanDerWaalsContact O-N 3.12Å; E1001-V1056 HydrophobicContact CB-CG1 4.31Å
1002	I	89.1	Confident	87.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-47.8	175.6	-62	167.3	0	0	0	110.9	V987 I991 L994 T998 H999 M1004 A1005 Q1006 L1053 V1056 I1057	V987-I1002 HydrophobicContact CG1-CG2 3.6Å; I991-I1002 HydrophobicContact CD1-CG2 3.76Å; I991-I1002 HydrophobicContact CG1-CG2 3.79Å; L994-I1002 HydrophobicContact CD1-CD1 3.53Å; T998-I1002 PolarHBondContact O-N 3.15Å; T998-I1002 VanDerWaalsContact O-N 3.14Å; H999-I1002 PolarHBondContact O-N 3.07Å; I1002-M1004 VanDerWaalsContact C-N 3.27Å; I1002-M1004 PolarHBondContact O-N 2.87Å; I1002-A1005 PolarHBondContact O-N 3.4Å; I1002-A1005 VanDerWaalsContact O-N 3.12Å; I1002-Q1006 HydrophobicContact CG2-CG 4.43Å; I1002-Q1006 WeakPolarHBondContact O-CG 3.45Å; I1002-Q1006 PolarHBondContact O-N 3.19Å; I1002-L1053 HydrophobicContact CG2-CD1 4Å; I1002-V1056 HydrophobicContact CG1-CG1 3.99Å; I1002-I1057 HydrophobicContact CD1-CG1 4.15Å; I1002-I1057 HydrophobicContact CG1-CG1 4.26Å
1003	E	88.9	Confident	88	Confident	85 Å²	85	62.4 Å²	62.4	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-54.3	-40.9	174.5	-88.9	-168	-128	0	0	112.8	H999 K1007	H999-E1003 PolarHBondContact O-N 3.33Å; E1003-K1007 WeakPolarHBondContact O-CB 3.47Å; E1003-K1007 WeakPolarHBondContact O-CD 3.34Å; E1003-K1007 VanDerWaalsContact O-CG 3.24Å; E1003-K1007 WeakPolarHBondContact O-CG 3.31Å; E1003-K1007 PolarHBondContact O-N 3.35Å; E1003-K1007 IonicContact OE2-NZ 2.68Å; E1003-K1007 PolarHBondContact OE2-NZ 2.98Å
1004	M	85.1	Confident	88.5	Confident	107 Å²	107	60.3 Å²	60.3	53%	0.527	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-37.5	179.8	-73.7	-174.3	-56.2	0	0	111.5	R1000 E1001 I1002 K1007 L1008	R1000-M1004 HydrophobicContact CG-CE 4.44Å; R1000-M1004 WeakPolarHBondContact O-CE 3.45Å; R1000-M1004 VanDerWaalsContact O-CG 3.29Å; R1000-M1004 WeakPolarHBondContact O-CG 3.34Å; R1000-M1004 PolarHBondContact O-N 3.5Å; E1001-M1004 PolarHBondContact O-N 3.28Å; I1002-M1004 VanDerWaalsContact C-N 3.27Å; I1002-M1004 PolarHBondContact O-N 2.87Å; M1004-K1007 PolarHBondContact O-N 3.28Å; M1004-L1008 PolarHBondContact O-N 2.98Å
1005	A	88.1	Confident	88.8	Confident	18 Å²	18	63.6 Å²	63.6	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-40.9	173.3	0	0	0	0	0	112.3	E1001 I1002 K1007 L1008 L1009 L1053	E1001-A1005 PolarHBondContact O-N 3.04Å; E1001-A1005 VanDerWaalsContact O-N 3.12Å; I1002-A1005 PolarHBondContact O-N 3.4Å; I1002-A1005 VanDerWaalsContact O-N 3.12Å; A1005-K1007 VanDerWaalsContact C-N 3.3Å; A1005-K1007 PolarHBondContact O-N 3.23Å; A1005-L1008 WeakPolarHBondContact O-CB 3.23Å; A1005-L1008 PolarHBondContact O-N 2.78Å; A1005-L1009 WeakPolarHBondContact O-CG 3.35Å; A1005-L1009 PolarHBondContact O-N 2.93Å; A1005-L1053 HydrophobicContact CB-CB 4.27Å; A1005-L1053 HydrophobicContact CB-CD1 3.85Å
1006	Q	88.8	Confident	89.3	Confident	18 Å²	18	62 Å²	62	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-39.6	172	-68.2	176.3	-60.1	0	0	112	L984 V987 D988 I1002 N1010	L984-Q1006 HydrophobicContact CD2-CB 3.82Å; L984-Q1006 HydrophobicContact CD2-CG 3.72Å; V987-Q1006 HydrophobicContact CG1-CG 4.28Å; D988-Q1006 PolarHBondContact OD1-NE2 3.24Å; I1002-Q1006 HydrophobicContact CG2-CG 4.43Å; I1002-Q1006 WeakPolarHBondContact O-CG 3.45Å; I1002-Q1006 PolarHBondContact O-N 3.19Å; Q1006-N1010 PolarHBondContact O-N 3.24Å; Q1006-N1010 PolarHBondContact O-ND2 2.83Å
1007	K	89.4	Confident	89.8	Confident	130 Å²	130	61.3 Å²	61.3	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-68.9	-33	176.2	-74.2	160.9	-174	163.2	0	112.5	E1003 M1004 A1005 S1011	E1003-K1007 WeakPolarHBondContact O-CB 3.47Å; E1003-K1007 WeakPolarHBondContact O-CD 3.34Å; E1003-K1007 VanDerWaalsContact O-CG 3.24Å; E1003-K1007 WeakPolarHBondContact O-CG 3.31Å; E1003-K1007 PolarHBondContact O-N 3.35Å; E1003-K1007 IonicContact OE2-NZ 2.68Å; E1003-K1007 PolarHBondContact OE2-NZ 2.98Å; M1004-K1007 PolarHBondContact O-N 3.28Å; A1005-K1007 VanDerWaalsContact C-N 3.3Å; A1005-K1007 PolarHBondContact O-N 3.23Å; K1007-S1011 PolarHBondContact O-N 3.19Å
1008	L	89.7	Confident	90.5	Very high	72 Å²	72	59.1 Å²	59.1	38%	0.377	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-54.4	172.1	178.8	55.8	0	0	0	110.8	M1004 A1005 N1010 S1011 D1012 D1049	M1004-L1008 PolarHBondContact O-N 2.98Å; A1005-L1008 WeakPolarHBondContact O-CB 3.23Å; A1005-L1008 PolarHBondContact O-N 2.78Å; L1008-N1010 VanDerWaalsContact C-N 3.26Å; L1008-N1010 PolarHBondContact O-N 3.45Å; L1008-N1010 VanDerWaalsContact O-N 3.15Å; L1008-S1011 CarbonylContact O-C 3.59Å; L1008-S1011 VanDerWaalsContact O-CA 3.29Å; L1008-S1011 WeakPolarHBondContact O-CA 3.42Å; L1008-S1011 WeakPolarHBondContact O-CB 3.39Å; L1008-S1011 PolarHBondContact O-N 2.93Å; L1008-D1012 VanDerWaalsContact C-OD2 3.3Å; L1008-D1012 WeakPolarHBondContact CG-OD2 3.42Å; L1008-D1012 PolarHBondContact O-N 3.49Å; L1008-D1049 HydrophobicContact CD2-CB 4.19Å
1009	L	91.6	Very high	91	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.3	-35.5	-179	-64.4	174.5	0	0	0	114.2	L980 L984 A1005 S1011 D1012 L1013 L1046 D1049 A1050 L1053	L980-L1009 HydrophobicContact CD1-CB 3.82Å; L980-L1009 HydrophobicContact CD1-CD1 3.84Å; L980-L1009 HydrophobicContact CD1-CG 4.32Å; L980-L1009 HydrophobicContact CD2-CB 4.24Å; L984-L1009 HydrophobicContact CD2-CD1 4.41Å; A1005-L1009 WeakPolarHBondContact O-CG 3.35Å; A1005-L1009 PolarHBondContact O-N 2.93Å; L1009-S1011 VanDerWaalsContact C-N 3.31Å; L1009-D1012 PolarHBondContact O-N 3.49Å; L1009-L1013 PolarHBondContact O-N 2.96Å; L1009-L1046 HydrophobicContact CB-CD1 4.09Å; L1009-L1046 HydrophobicContact CD2-CD1 3.7Å; L1009-L1046 WeakPolarHBondContact O-CD1 3.44Å; L1009-D1049 HydrophobicContact CD2-CB 3.85Å; L1009-A1050 HydrophobicContact CD2-CB 4.17Å; L1009-L1053 HydrophobicContact CD1-CB 4.44Å; L1009-L1053 HydrophobicContact CD1-CD2 3.51Å
1010	N	91.5	Very high	91.3	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-32.3	173.7	-80.3	-83.2	0	0	0	112.4	L984 Q1006 L1008 A1014	L984-N1010 WeakPolarHBondContact CD1-ND2 3.3Å; Q1006-N1010 PolarHBondContact O-N 3.24Å; Q1006-N1010 PolarHBondContact O-ND2 2.83Å; L1008-N1010 VanDerWaalsContact C-N 3.26Å; L1008-N1010 PolarHBondContact O-N 3.45Å; L1008-N1010 VanDerWaalsContact O-N 3.15Å; N1010-A1014 PolarHBondContact O-N 3.31Å
1011	S	92.8	Very high	91.6	Very high	72 Å²	72	56.3 Å²	56.3	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-70.9	-38.7	171.9	-167.4	0	0	0	0	111.8	K1007 L1008 L1009 A1014 E1015	K1007-S1011 PolarHBondContact O-N 3.19Å; L1008-S1011 CarbonylContact O-C 3.59Å; L1008-S1011 VanDerWaalsContact O-CA 3.29Å; L1008-S1011 WeakPolarHBondContact O-CA 3.42Å; L1008-S1011 WeakPolarHBondContact O-CB 3.39Å; L1008-S1011 PolarHBondContact O-N 2.93Å; L1009-S1011 VanDerWaalsContact C-N 3.31Å; S1011-A1014 WeakPolarHBondContact O-CB 3.27Å; S1011-A1014 PolarHBondContact O-N 3.01Å; S1011-E1015 PolarHBondContact O-N 3.26Å
1012	D	93.7	Very high	91.9	Very high	27 Å²	27	53.8 Å²	53.8	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-37	-179.1	-55.4	-46.1	0	0	0	111.8	L1008 L1009 A1014 E1015 L1016 L1046	L1008-D1012 VanDerWaalsContact C-OD2 3.3Å; L1008-D1012 WeakPolarHBondContact CG-OD2 3.42Å; L1008-D1012 PolarHBondContact O-N 3.49Å; L1009-D1012 PolarHBondContact O-N 3.49Å; D1012-A1014 VanDerWaalsContact C-N 3.31Å; D1012-A1014 PolarHBondContact O-N 2.95Å; D1012-E1015 PolarHBondContact O-N 2.81Å; D1012-L1016 WeakPolarHBondContact O-CB 3.33Å; D1012-L1016 PolarHBondContact O-N 2.61Å; D1012-L1046 HydrophobicContact CB-CB 4.08Å; D1012-L1046 HydrophobicContact CB-CD1 3.85Å
1013	L	95.8	Very high	91.9	Very high	29 Å²	29	53.9 Å²	53.9	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-37.1	169.6	-179.9	61.5	0	0	0	111.7	L980 L1009 L1016 I1017	L980-L1013 HydrophobicContact CD2-CB 3.86Å; L980-L1013 HydrophobicContact CD2-CD2 3.87Å; L980-L1013 HydrophobicContact CD2-CG 4.42Å; L1009-L1013 PolarHBondContact O-N 2.96Å; L1013-L1016 HydrophobicContact CD1-CD2 4.31Å; L1013-L1016 PolarHBondContact O-N 3.43Å; L1013-I1017 HydrophobicContact CD1-CD1 4.3Å; L1013-I1017 HydrophobicContact CD1-CG1 4.47Å; L1013-I1017 HydrophobicContact CG-CD1 4.08Å; L1013-I1017 WeakPolarHBondContact O-CD1 3.34Å; L1013-I1017 VanDerWaalsContact O-CG1 3.28Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.26Å
1014	A	94.4	Very high	91.9	Very high	57 Å²	57	52.7 Å²	52.7	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-39.4	175.2	0	0	0	0	0	112.1	N1010 S1011 D1012 I1017 S1018	N1010-A1014 PolarHBondContact O-N 3.31Å; S1011-A1014 WeakPolarHBondContact O-CB 3.27Å; S1011-A1014 PolarHBondContact O-N 3.01Å; D1012-A1014 VanDerWaalsContact C-N 3.31Å; D1012-A1014 PolarHBondContact O-N 2.95Å; A1014-I1017 PolarHBondContact O-N 3.26Å; A1014-S1018 WeakPolarHBondContact O-CB 3.27Å; A1014-S1018 PolarHBondContact O-N 3.04Å
1015	E	93.6	Very high	91.9	Very high	82 Å²	82	53.9 Å²	53.9	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-69.6	-36.4	174.2	-176.2	62	-175.4	0	0	112	S1011 D1012 S1018 K1019	S1011-E1015 PolarHBondContact O-N 3.26Å; D1012-E1015 PolarHBondContact O-N 2.81Å; E1015-S1018 WeakPolarHBondContact O-CA 3.45Å; E1015-S1018 VanDerWaalsContact O-CB 3.27Å; E1015-S1018 WeakPolarHBondContact O-CB 3.35Å; E1015-S1018 PolarHBondContact O-N 2.84Å; E1015-S1018 VanDerWaalsContact O-N 3.16Å; E1015-K1019 WeakPolarHBondContact O-CG 3.47Å; E1015-K1019 PolarHBondContact O-N 2.9Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.22Å; E1015-K1019 IonicContact OE1-NZ 3.76Å; E1015-K1019 PolarHBondContact OE1-NZ 2.8Å
1016	L	96.1	Very high	91.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-46	171.6	177.3	57.8	0	0	0	111.6	M957 V973 V976 D1012 L1013 S1018 K1019 M1020 M1039 A1042 A1043 L1046	M957-L1016 HydrophobicContact CE-CD1 4.19Å; V973-L1016 HydrophobicContact CG1-CD2 4.24Å; V973-L1016 HydrophobicContact CG1-CG 4.07Å; V973-L1016 HydrophobicContact CG2-CD1 4.3Å; V973-L1016 HydrophobicContact CG2-CD2 4.44Å; V973-L1016 HydrophobicContact CG2-CG 4.13Å; V976-L1016 HydrophobicContact CB-CD2 4.47Å; V976-L1016 HydrophobicContact CG1-CD2 3.85Å; D1012-L1016 WeakPolarHBondContact O-CB 3.33Å; D1012-L1016 PolarHBondContact O-N 2.61Å; L1013-L1016 HydrophobicContact CD1-CD2 4.31Å; L1013-L1016 PolarHBondContact O-N 3.43Å; L1016-S1018 VanDerWaalsContact C-N 3.29Å; L1016-S1018 PolarHBondContact O-N 2.78Å; L1016-K1019 PolarHBondContact O-N 2.93Å; L1016-M1020 WeakPolarHBondContact O-CB 3.36Å; L1016-M1020 PolarHBondContact O-N 2.6Å; L1016-M1039 HydrophobicContact CD1-CG 3.88Å; L1016-M1039 WeakPolarHBondContact CD1-O 3.47Å; L1016-A1042 HydrophobicContact CB-CB 4.17Å; L1016-A1042 HydrophobicContact CD1-CB 4.13Å; L1016-A1043 HydrophobicContact CD1-CB 3.88Å; L1016-A1043 HydrophobicContact CD2-CB 4.22Å; L1016-L1046 HydrophobicContact CD2-CD2 4.34Å
1017	I	94.5	Very high	91.3	Very high	64 Å²	64	56.8 Å²	56.8	33%	0.328	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-35.7	174.4	-68	163.6	0	0	0	111.2	V973 L1013 A1014 K1021	V973-I1017 HydrophobicContact CG1-CG1 3.69Å; L1013-I1017 HydrophobicContact CD1-CD1 4.3Å; L1013-I1017 HydrophobicContact CD1-CG1 4.47Å; L1013-I1017 HydrophobicContact CG-CD1 4.08Å; L1013-I1017 WeakPolarHBondContact O-CD1 3.34Å; L1013-I1017 VanDerWaalsContact O-CG1 3.28Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.26Å; A1014-I1017 PolarHBondContact O-N 3.26Å; I1017-K1021 WeakPolarHBondContact O-CG 3.23Å; I1017-K1021 PolarHBondContact O-N 2.93Å; I1017-K1021 VanDerWaalsContact O-N 3.1Å
1018	S	95.3	Very high	90.4	Very high	52 Å²	52	59 Å²	59	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-50	174	-172.6	0	0	0	0	111.6	A1014 E1015 L1016 M1020 K1021 L1022	A1014-S1018 WeakPolarHBondContact O-CB 3.27Å; A1014-S1018 PolarHBondContact O-N 3.04Å; E1015-S1018 WeakPolarHBondContact O-CA 3.45Å; E1015-S1018 VanDerWaalsContact O-CB 3.27Å; E1015-S1018 WeakPolarHBondContact O-CB 3.35Å; E1015-S1018 PolarHBondContact O-N 2.84Å; E1015-S1018 VanDerWaalsContact O-N 3.16Å; L1016-S1018 VanDerWaalsContact C-N 3.29Å; L1016-S1018 PolarHBondContact O-N 2.78Å; S1018-M1020 VanDerWaalsContact C-N 3.34Å; S1018-M1020 PolarHBondContact O-N 2.89Å; S1018-K1021 PolarHBondContact O-N 2.84Å; S1018-L1022 PolarHBondContact O-N 3.29Å
1019	K	95.2	Very high	89.9	Confident	41 Å²	41	58.4 Å²	58.4	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-36.9	176	-63.6	-40.5	-163.9	-143.7	0	112.9	E1015 L1016 L1022 A1023 Q1038 M1039 A1042	E1015-K1019 WeakPolarHBondContact O-CG 3.47Å; E1015-K1019 PolarHBondContact O-N 2.9Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.22Å; E1015-K1019 IonicContact OE1-NZ 3.76Å; E1015-K1019 PolarHBondContact OE1-NZ 2.8Å; L1016-K1019 PolarHBondContact O-N 2.93Å; K1019-L1022 HydrophobicContact CD-CD1 4.3Å; K1019-L1022 PolarHBondContact O-N 3.14Å; K1019-A1023 WeakPolarHBondContact O-CB 3.2Å; K1019-A1023 PolarHBondContact O-N 3.38Å; K1019-Q1038 HydrophobicContact CD-CB 4.14Å; K1019-Q1038 HydrophobicContact CG-CB 4.32Å; K1019-M1039 HydrophobicContact CB-CB 4Å; K1019-A1042 HydrophobicContact CG-CB 4.06Å
1020	M	94.9	Very high	89	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-59.7	-47.7	175	-173.7	-153.3	73.5	0	0	111.8	V970 V973 L1016 S1018 L1022 A1023 Q1024 M1039	V970-M1020 HydrophobicContact CG2-CE 4.19Å; V970-M1020 HydrophobicContact CG2-SD 4.24Å; V973-M1020 HydrophobicContact CB-CG 4.5Å; V973-M1020 HydrophobicContact CB-SD 3.75Å; V973-M1020 HydrophobicContact CG1-SD 4.17Å; V973-M1020 HydrophobicContact CG2-CB 4.07Å; V973-M1020 HydrophobicContact CG2-CG 3.86Å; V973-M1020 HydrophobicContact CG2-SD 3.78Å; L1016-M1020 WeakPolarHBondContact O-CB 3.36Å; L1016-M1020 PolarHBondContact O-N 2.6Å; S1018-M1020 VanDerWaalsContact C-N 3.34Å; S1018-M1020 PolarHBondContact O-N 2.89Å; M1020-L1022 VanDerWaalsContact C-N 3.32Å; M1020-L1022 PolarHBondContact O-N 2.94Å; M1020-A1023 PolarHBondContact O-N 3.46Å; M1020-A1023 VanDerWaalsContact O-N 3.15Å; M1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; M1020-Q1024 PolarHBondContact O-N 2.8Å; M1020-M1039 VanDerWaalsContact CA-SD 3.56Å; M1020-M1039 HydrophobicContact CB-SD 3.75Å; M1020-M1039 HydrophobicContact CG-SD 3.87Å
1021	K	91.3	Very high	88.2	Confident	129 Å²	129	63.3 Å²	63.3	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-41.2	177.2	-73.5	176.1	179.2	-177	0	112.1	I1017 S1018 Q1024 Q1025	I1017-K1021 WeakPolarHBondContact O-CG 3.23Å; I1017-K1021 PolarHBondContact O-N 2.93Å; I1017-K1021 VanDerWaalsContact O-N 3.1Å; S1018-K1021 PolarHBondContact O-N 2.84Å; K1021-Q1024 PolarHBondContact O-N 2.86Å; K1021-Q1025 WeakPolarHBondContact O-CB 3.43Å; K1021-Q1025 PolarHBondContact O-N 3.36Å
1022	L	90.5	Very high	87.5	Confident	45 Å²	45	63.4 Å²	63.4	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-42.2	174.3	-66.3	168.8	0	0	0	111.8	S1018 K1019 M1020 Q1024 Q1025 Y1026 Y1035	S1018-L1022 PolarHBondContact O-N 3.29Å; K1019-L1022 HydrophobicContact CD-CD1 4.3Å; K1019-L1022 PolarHBondContact O-N 3.14Å; M1020-L1022 VanDerWaalsContact C-N 3.32Å; M1020-L1022 PolarHBondContact O-N 2.94Å; L1022-Q1024 VanDerWaalsContact C-N 3.28Å; L1022-Q1024 PolarHBondContact O-N 3.12Å; L1022-Q1025 PolarHBondContact O-N 2.87Å; L1022-Y1026 HydrophobicContact CD2-CD2 4.36Å; L1022-Y1026 HydrophobicContact CD2-CE2 3.94Å; L1022-Y1026 WeakPolarHBondContact O-CD2 3.24Å; L1022-Y1026 PolarHBondContact O-N 2.86Å; L1022-Y1035 HydrophobicContact CB-CD1 3.71Å; L1022-Y1035 HydrophobicContact CB-CE1 3.95Å; L1022-Y1035 HydrophobicContact CB-CG 4.42Å; L1022-Y1035 HydrophobicContact CD1-CD1 4.48Å; L1022-Y1035 HydrophobicContact CD1-CE1 4.22Å; L1022-Y1035 HydrophobicContact CG-CE1 4.49Å
1023	A	88.6	Confident	87	Confident	1 Å²	1	70 Å²	70	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-29.4	177.1	0	0	0	0	0	113.5	Y969 K1019 M1020 M1039	Y969-A1023 HydrophobicContact CD2-CB 4.09Å; Y969-A1023 HydrophobicContact CE2-CB 3.87Å; K1019-A1023 WeakPolarHBondContact O-CB 3.2Å; K1019-A1023 PolarHBondContact O-N 3.38Å; M1020-A1023 PolarHBondContact O-N 3.46Å; M1020-A1023 VanDerWaalsContact O-N 3.15Å; A1023-M1039 HydrophobicContact CB-CE 3.69Å; A1023-M1039 HydrophobicContact CB-SD 4.44Å
1024	Q	88.6	Confident	86.5	Confident	60 Å²	60	72.5 Å²	72.5	28%	0.28	37%	0.374	S	S	.	.	H	α-helix	trans	-74.9	-48.6	169.7	-65.2	-176.5	-59.6	0	0	111.7	P966 Y969 V970 M1020 K1021 L1022 Y1026 V1027	P966-Q1024 HydrophobicContact CB-CG 4.36Å; P966-Q1024 PolarHBondContact O-NE2 3.21Å; Y969-Q1024 HydrophobicContact CD2-CG 3.69Å; Y969-Q1024 HydrophobicContact CE2-CG 4.27Å; V970-Q1024 VanDerWaalsContact CG2-NE2 3.3Å; M1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; M1020-Q1024 PolarHBondContact O-N 2.8Å; K1021-Q1024 PolarHBondContact O-N 2.86Å; L1022-Q1024 VanDerWaalsContact C-N 3.28Å; L1022-Q1024 PolarHBondContact O-N 3.12Å; Q1024-Y1026 VanDerWaalsContact C-N 3.32Å; Q1024-Y1026 PolarHBondContact O-N 2.9Å; Q1024-V1027 WeakPolarHBondContact O-CB 3.47Å; Q1024-V1027 VanDerWaalsContact O-CG1 3.29Å; Q1024-V1027 WeakPolarHBondContact O-CG1 3.3Å; Q1024-V1027 PolarHBondContact O-N 2.81Å
1025	Q	85.9	Confident	86.2	Confident	133 Å²	133	71.8 Å²	71.8	62%	0.621	36%	0.359	S	S	*	.	H	α-helix	trans	-59.4	-39.8	-177.1	-177.6	179.4	3.6	0	0	113.1	K1021 L1022	K1021-Q1025 WeakPolarHBondContact O-CB 3.43Å; K1021-Q1025 PolarHBondContact O-N 3.36Å; L1022-Q1025 PolarHBondContact O-N 2.87Å
1026	Y	83.9	Confident	86	Confident	80 Å²	80	68.6 Å²	68.6	31%	0.314	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	17.7	-175.9	-68	-77	0	0	0	113.4	L1022 Q1024 M1028 T1029 Y1035	L1022-Y1026 HydrophobicContact CD2-CD2 4.36Å; L1022-Y1026 HydrophobicContact CD2-CE2 3.94Å; L1022-Y1026 WeakPolarHBondContact O-CD2 3.24Å; L1022-Y1026 PolarHBondContact O-N 2.86Å; Q1024-Y1026 VanDerWaalsContact C-N 3.32Å; Q1024-Y1026 PolarHBondContact O-N 2.9Å; Y1026-M1028 VanDerWaalsContact C-N 3.29Å; Y1026-M1028 PolarHBondContact O-N 2.89Å; Y1026-T1029 HydrophobicContact CD1-CG2 4.22Å; Y1026-T1029 PolarHBondContact O-N 3.22Å; Y1026-T1029 VanDerWaalsContact O-N 3.15Å; Y1026-T1029 PolarHBondContact O-OG1 3.49Å; Y1026-Y1035 HydrophobicContact CD1-CE2 4.29Å; Y1026-Y1035 HydrophobicContact CD2-CD2 4.16Å; Y1026-Y1035 HydrophobicContact CD2-CE1 4.45Å; Y1026-Y1035 AromaticContact CD2-CE2 3.66Å; Y1026-Y1035 HydrophobicContact CD2-CE2 3.66Å; Y1026-Y1035 AromaticContact CD2-CZ 3.82Å; Y1026-Y1035 HydrophobicContact CE2-CE2 4.45Å; Y1026-Y1035 HydrophobicContact CG-CD2 4.02Å; Y1026-Y1035 AromaticContact CG-CE2 3.57Å; Y1026-Y1035 HydrophobicContact CG-CE2 3.57Å
1027	V	80.9	Confident	85.7	Confident	17 Å²	17	74.7 Å²	74.7	10%	0.103	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.8	-172	74.2	0	0	0	0	114.1	P966 Q1024 T1029 Q1032	P966-V1027 HydrophobicContact CB-CB 4.31Å; P966-V1027 HydrophobicContact CB-CG1 4.36Å; P966-V1027 HydrophobicContact CB-CG2 3.95Å; P966-V1027 HydrophobicContact CG-CB 4.45Å; P966-V1027 HydrophobicContact CG-CG1 4.16Å; P966-V1027 HydrophobicContact CG-CG2 3.9Å; Q1024-V1027 WeakPolarHBondContact O-CB 3.47Å; Q1024-V1027 VanDerWaalsContact O-CG1 3.29Å; Q1024-V1027 WeakPolarHBondContact O-CG1 3.3Å; Q1024-V1027 PolarHBondContact O-N 2.81Å; V1027-T1029 VanDerWaalsContact C-N 3.32Å; V1027-T1029 PolarHBondContact O-N 3Å; V1027-Q1032 HydrophobicContact CG2-CG 4.15Å; V1027-Q1032 VanDerWaalsContact CG2-NE2 3.29Å; V1027-Q1032 PolarHBondContact O-NE2 2.94Å
1028	M	70.4	Confident	85.5	Confident	176 Å²	176	74.6 Å²	74.6	87%	0.867	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	26.3	178.1	-57.7	-56.4	177	0	0	113.1	Y1026	Y1026-M1028 VanDerWaalsContact C-N 3.29Å; Y1026-M1028 PolarHBondContact O-N 2.89Å
1029	T	79.1	Confident	85.4	Confident	59 Å²	59	72.1 Å²	72.1	36%	0.362	35%	0.352	S	S	.	.	S	Bend	trans	-125.9	160.2	-179	74.4	0	0	0	0	111.5	Y1026 V1027 L1031 Q1032	Y1026-T1029 HydrophobicContact CD1-CG2 4.22Å; Y1026-T1029 PolarHBondContact O-N 3.22Å; Y1026-T1029 VanDerWaalsContact O-N 3.15Å; Y1026-T1029 PolarHBondContact O-OG1 3.49Å; V1027-T1029 VanDerWaalsContact C-N 3.32Å; V1027-T1029 PolarHBondContact O-N 3Å; T1029-L1031 PolarHBondContact O-N 2.91Å; T1029-L1031 PolarHBondContact OG1-N 3.05Å; T1029-Q1032 VanDerWaalsContact O-CB 3.31Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.45Å; T1029-Q1032 PolarHBondContact O-N 2.99Å
1030	S	72.4	Confident	85.3	Confident	115 Å²	115	71.2 Å²	71.2	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.3	172.9	50.3	0	0	0	0	113.8	Q1032	S1030-Q1032 VanDerWaalsContact C-N 3.33Å; S1030-Q1032 PolarHBondContact O-N 2.68Å
1031	L	73.8	Confident	85.1	Confident	75 Å²	75	76.3 Å²	76.3	39%	0.393	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.1	178.3	-56.5	177.7	0	0	0	114.1	T1029 K1033 D1034 Y1035	T1029-L1031 PolarHBondContact O-N 2.91Å; T1029-L1031 PolarHBondContact OG1-N 3.05Å; L1031-K1033 PolarHBondContact O-N 3.27Å; L1031-K1033 VanDerWaalsContact O-N 3.15Å; L1031-D1034 PolarHBondContact O-N 3.39Å; L1031-Y1035 HydrophobicContact CB-CD2 3.82Å; L1031-Y1035 HydrophobicContact CB-CE2 3.63Å; L1031-Y1035 HydrophobicContact CD1-CE2 4.04Å; L1031-Y1035 HydrophobicContact CG-CE2 4.49Å; L1031-Y1035 VanDerWaalsContact O-CD2 3.31Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.38Å; L1031-Y1035 PolarHBondContact O-N 3.3Å
1032	Q	79.8	Confident	85.2	Confident	75 Å²	75	70.7 Å²	70.7	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-48.9	-43.3	179.8	-178.2	-163.3	46.5	0	0	112.2	V1027 T1029 S1030 D1034 Y1035 K1036	V1027-Q1032 HydrophobicContact CG2-CG 4.15Å; V1027-Q1032 VanDerWaalsContact CG2-NE2 3.29Å; V1027-Q1032 PolarHBondContact O-NE2 2.94Å; T1029-Q1032 VanDerWaalsContact O-CB 3.31Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.45Å; T1029-Q1032 PolarHBondContact O-N 2.99Å; S1030-Q1032 VanDerWaalsContact C-N 3.33Å; S1030-Q1032 PolarHBondContact O-N 2.68Å; Q1032-D1034 PolarHBondContact O-N 3.36Å; Q1032-Y1035 PolarHBondContact O-N 2.62Å; Q1032-K1036 PolarHBondContact O-N 3.06Å
1033	K	82.1	Confident	85.4	Confident	164 Å²	164	68.6 Å²	68.6	71%	0.713	34%	0.341	S	S	*	.	H	α-helix	trans	-63.7	-39.6	-179.9	-168.9	176.4	-176.9	178.7	0	112.4	L1031 K1037	L1031-K1033 PolarHBondContact O-N 3.27Å; L1031-K1033 VanDerWaalsContact O-N 3.15Å; K1033-K1037 WeakPolarHBondContact O-CB 3.36Å; K1033-K1037 PolarHBondContact O-N 3.42Å
1034	D	85.1	Confident	85.5	Confident	82 Å²	82	73 Å²	73	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-76.4	-33.8	-180	-71.8	-36	0	0	0	112.6	L1031 Q1032 K1037 Q1038	L1031-D1034 PolarHBondContact O-N 3.39Å; Q1032-D1034 PolarHBondContact O-N 3.36Å; D1034-K1037 PolarHBondContact O-N 3.3Å; D1034-Q1038 WeakPolarHBondContact O-CG 3.4Å; D1034-Q1038 PolarHBondContact O-N 2.96Å
1035	Y	88.6	Confident	85.6	Confident	42 Å²	42	72 Å²	72	17%	0.165	36%	0.363	C	S	.	.	H	α-helix	trans	-73	-36.7	172.5	-69.9	-68	0	0	0	112.4	L1022 Y1026 L1031 Q1032 K1037 Q1038 M1039	L1022-Y1035 HydrophobicContact CB-CD1 3.71Å; L1022-Y1035 HydrophobicContact CB-CE1 3.95Å; L1022-Y1035 HydrophobicContact CB-CG 4.42Å; L1022-Y1035 HydrophobicContact CD1-CD1 4.48Å; L1022-Y1035 HydrophobicContact CD1-CE1 4.22Å; L1022-Y1035 HydrophobicContact CG-CE1 4.49Å; Y1026-Y1035 HydrophobicContact CD1-CE2 4.29Å; Y1026-Y1035 HydrophobicContact CD2-CD2 4.16Å; Y1026-Y1035 HydrophobicContact CD2-CE1 4.45Å; Y1026-Y1035 AromaticContact CD2-CE2 3.66Å; Y1026-Y1035 HydrophobicContact CD2-CE2 3.66Å; Y1026-Y1035 AromaticContact CD2-CZ 3.82Å; Y1026-Y1035 HydrophobicContact CE2-CE2 4.45Å; Y1026-Y1035 HydrophobicContact CG-CD2 4.02Å; Y1026-Y1035 AromaticContact CG-CE2 3.57Å; Y1026-Y1035 HydrophobicContact CG-CE2 3.57Å; L1031-Y1035 HydrophobicContact CB-CD2 3.82Å; L1031-Y1035 HydrophobicContact CB-CE2 3.63Å; L1031-Y1035 HydrophobicContact CD1-CE2 4.04Å; L1031-Y1035 HydrophobicContact CG-CE2 4.49Å; L1031-Y1035 VanDerWaalsContact O-CD2 3.31Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.38Å; L1031-Y1035 PolarHBondContact O-N 3.3Å; Q1032-Y1035 PolarHBondContact O-N 2.62Å; Y1035-K1037 VanDerWaalsContact C-N 3.33Å; Y1035-K1037 PolarHBondContact O-N 3.37Å; Y1035-Q1038 PolarHBondContact O-N 3.41Å; Y1035-M1039 WeakPolarHBondContact O-CB 3.12Å; Y1035-M1039 PolarHBondContact O-N 2.95Å
1036	K	88.3	Confident	86	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.065	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-46.4	166.1	-79.5	-168.1	174.9	-163	0	110.8	I961 Q962 A964 Y969 Q1032 M1039 L1040	I961-K1036 WeakPolarHBondContact O-CD 3.46Å; I961-K1036 VanDerWaalsContact O-CE 3.3Å; I961-K1036 WeakPolarHBondContact O-CE 3.48Å; I961-K1036 PolarHBondContact O-NZ 3.39Å; Q962-K1036 PolarHBondContact O-NZ 3.24Å; A964-K1036 PolarHBondContact O-NZ 2.89Å; Y969-K1036 WeakPolarHBondContact OH-CE 2.94Å; Q1032-K1036 PolarHBondContact O-N 3.06Å; K1036-M1039 PolarHBondContact O-N 2.94Å; K1036-L1040 PolarHBondContact O-N 2.9Å; K1036-L1040 VanDerWaalsContact O-N 3.12Å
1037	K	90.3	Very high	86.4	Confident	128 Å²	128	62.5 Å²	62.5	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-61.8	-43.9	177.1	-173.8	179.9	178.4	-177.5	0	112.9	K1033 D1034 Y1035 M1039 L1040 M1041	K1033-K1037 WeakPolarHBondContact O-CB 3.36Å; K1033-K1037 PolarHBondContact O-N 3.42Å; D1034-K1037 PolarHBondContact O-N 3.3Å; Y1035-K1037 VanDerWaalsContact C-N 3.33Å; Y1035-K1037 PolarHBondContact O-N 3.37Å; K1037-M1039 VanDerWaalsContact C-N 3.34Å; K1037-M1039 PolarHBondContact O-N 3.01Å; K1037-L1040 PolarHBondContact O-N 3.46Å; K1037-M1041 HydrophobicContact CG-SD 4.4Å; K1037-M1041 WeakPolarHBondContact O-CG 3.47Å; K1037-M1041 PolarHBondContact O-N 3.22Å
1038	Q	91.8	Very high	86.9	Confident	63 Å²	63	65.8 Å²	65.8	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-39.4	176.4	-78	176.5	65.8	0	0	112.7	K1019 D1034 Y1035 M1041 A1042	K1019-Q1038 HydrophobicContact CD-CB 4.14Å; K1019-Q1038 HydrophobicContact CG-CB 4.32Å; D1034-Q1038 WeakPolarHBondContact O-CG 3.4Å; D1034-Q1038 PolarHBondContact O-N 2.96Å; Y1035-Q1038 PolarHBondContact O-N 3.41Å; Q1038-M1041 PolarHBondContact O-N 2.9Å; Q1038-A1042 PolarHBondContact O-N 3.42Å; Q1038-A1042 VanDerWaalsContact O-N 3.07Å
1039	M	92.9	Very high	87.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-41.1	175.7	179.5	171.7	42	0	0	111.7	M957 I961 Y969 V973 L1016 K1019 M1020 A1023 Y1035 K1036 K1037 A1042 A1043	M957-M1039 HydrophobicContact CE-CE 4.5Å; M957-M1039 HydrophobicContact CE-CG 3.54Å; M957-M1039 HydrophobicContact CE-SD 3.57Å; M957-M1039 VanDerWaalsContact CE-SD 3.57Å; I961-M1039 HydrophobicContact CD1-CE 3.67Å; I961-M1039 HydrophobicContact CD1-SD 4.34Å; I961-M1039 HydrophobicContact CG1-CE 3.68Å; Y969-M1039 HydrophobicContact CD1-CE 4.41Å; Y969-M1039 HydrophobicContact CD2-CE 3.92Å; Y969-M1039 HydrophobicContact CE2-CE 4.28Å; Y969-M1039 HydrophobicContact CG-CE 4.03Å; V973-M1039 HydrophobicContact CG2-SD 4.44Å; L1016-M1039 HydrophobicContact CD1-CG 3.88Å; L1016-M1039 WeakPolarHBondContact CD1-O 3.47Å; K1019-M1039 HydrophobicContact CB-CB 4Å; M1020-M1039 VanDerWaalsContact CA-SD 3.56Å; M1020-M1039 HydrophobicContact CB-SD 3.75Å; M1020-M1039 HydrophobicContact CG-SD 3.87Å; A1023-M1039 HydrophobicContact CB-CE 3.69Å; A1023-M1039 HydrophobicContact CB-SD 4.44Å; Y1035-M1039 WeakPolarHBondContact O-CB 3.12Å; Y1035-M1039 PolarHBondContact O-N 2.95Å; K1036-M1039 PolarHBondContact O-N 2.94Å; K1037-M1039 VanDerWaalsContact C-N 3.34Å; K1037-M1039 PolarHBondContact O-N 3.01Å; M1039-A1042 PolarHBondContact O-N 3.49Å; M1039-A1043 PolarHBondContact O-N 3.15Å
1040	L	91.9	Very high	88.5	Confident	22 Å²	22	56.5 Å²	56.5	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-42	171.8	-68.1	-177.4	0	0	0	112.9	I961 K1036 K1037 A1042 A1043 H1044	I961-L1040 HydrophobicContact CB-CD2 4.11Å; I961-L1040 HydrophobicContact CG1-CD2 4.48Å; I961-L1040 HydrophobicContact CG2-CD1 3.78Å; I961-L1040 HydrophobicContact CG2-CD2 3.69Å; I961-L1040 HydrophobicContact CG2-CG 3.84Å; K1036-L1040 PolarHBondContact O-N 2.9Å; K1036-L1040 VanDerWaalsContact O-N 3.12Å; K1037-L1040 PolarHBondContact O-N 3.46Å; L1040-A1042 VanDerWaalsContact C-N 3.31Å; L1040-A1042 PolarHBondContact O-N 2.86Å; L1040-A1043 PolarHBondContact O-N 3.43Å; L1040-H1044 WeakPolarHBondContact O-CB 3.19Å; L1040-H1044 PolarHBondContact O-CD2 3.12Å; L1040-H1044 PolarHBondContact O-N 3.46Å
1041	M	91.3	Very high	89.4	Confident	121 Å²	121	55.8 Å²	55.8	60%	0.596	28%	0.278	S	S	*	.	H	α-helix	trans	-62.3	-38.3	178.4	-70.2	174.6	68.1	0	0	112.2	K1037 Q1038 A1045	K1037-M1041 HydrophobicContact CG-SD 4.4Å; K1037-M1041 WeakPolarHBondContact O-CG 3.47Å; K1037-M1041 PolarHBondContact O-N 3.22Å; Q1038-M1041 PolarHBondContact O-N 2.9Å; M1041-A1045 PolarHBondContact O-N 2.81Å
1042	A	93.8	Very high	90.1	Very high	12 Å²	12	55.7 Å²	55.7	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-41.1	173.8	0	0	0	0	0	112.3	L1016 K1019 Q1038 M1039 L1040 A1045 L1046	L1016-A1042 HydrophobicContact CB-CB 4.17Å; L1016-A1042 HydrophobicContact CD1-CB 4.13Å; K1019-A1042 HydrophobicContact CG-CB 4.06Å; Q1038-A1042 PolarHBondContact O-N 3.42Å; Q1038-A1042 VanDerWaalsContact O-N 3.07Å; M1039-A1042 PolarHBondContact O-N 3.49Å; L1040-A1042 VanDerWaalsContact C-N 3.31Å; L1040-A1042 PolarHBondContact O-N 2.86Å; A1042-A1045 PolarHBondContact O-N 3.47Å; A1042-L1046 PolarHBondContact O-N 3.25Å; A1042-L1046 VanDerWaalsContact O-N 3.14Å
1043	A	93	Very high	90.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-40.3	176.8	0	0	0	0	0	112.1	V954 M957 L1016 M1039 L1040 L1046 A1047	V954-A1043 HydrophobicContact CG1-CB 4Å; V954-A1043 WeakPolarHBondContact CG1-O 3.42Å; V954-A1043 HydrophobicContact CG2-CB 4.38Å; M957-A1043 HydrophobicContact SD-CB 4.3Å; L1016-A1043 HydrophobicContact CD1-CB 3.88Å; L1016-A1043 HydrophobicContact CD2-CB 4.22Å; M1039-A1043 PolarHBondContact O-N 3.15Å; L1040-A1043 PolarHBondContact O-N 3.43Å; A1043-L1046 PolarHBondContact O-N 3.01Å; A1043-A1047 PolarHBondContact O-N 3.17Å; A1043-A1047 VanDerWaalsContact O-N 3.14Å
1044	H	91.4	Very high	91.1	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.426	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-37.2	175.5	-70.8	-172.4	0	0	0	112.3	S958 L1040 A1047 V1048	S958-H1044 PolarHBondContact OG-NE2 3.46Å; L1040-H1044 WeakPolarHBondContact O-CB 3.19Å; L1040-H1044 PolarHBondContact O-CD2 3.12Å; L1040-H1044 PolarHBondContact O-N 3.46Å; H1044-A1047 PolarHBondContact O-N 3.22Å; H1044-V1048 WeakPolarHBondContact O-CG2 3.46Å; H1044-V1048 PolarHBondContact O-N 3.24Å
1045	A	91.8	Very high	91.2	Very high	40 Å²	40	42.7 Å²	42.7	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-50.4	174.1	0	0	0	0	0	111.4	M1041 A1042 A1047 V1048 D1049	M1041-A1045 PolarHBondContact O-N 2.81Å; A1042-A1045 PolarHBondContact O-N 3.47Å; A1045-A1047 VanDerWaalsContact C-N 3.26Å; A1045-A1047 PolarHBondContact O-N 2.83Å; A1045-V1048 PolarHBondContact O-N 2.81Å; A1045-D1049 PolarHBondContact O-N 3.33Å
1046	L	94.2	Very high	91.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55	-39.1	175.8	178.7	68.1	0	0	0	112.7	L950 V976 L980 L1009 D1012 L1016 A1042 A1043 A1050	L950-L1046 HydrophobicContact CD1-CD2 4.37Å; V976-L1046 HydrophobicContact CG1-CD2 3.56Å; L980-L1046 HydrophobicContact CD1-CD1 4.48Å; L980-L1046 HydrophobicContact CD2-CD1 3.96Å; L1009-L1046 HydrophobicContact CB-CD1 4.09Å; L1009-L1046 HydrophobicContact CD2-CD1 3.7Å; L1009-L1046 WeakPolarHBondContact O-CD1 3.44Å; D1012-L1046 HydrophobicContact CB-CB 4.08Å; D1012-L1046 HydrophobicContact CB-CD1 3.85Å; L1016-L1046 HydrophobicContact CD2-CD2 4.34Å; A1042-L1046 PolarHBondContact O-N 3.25Å; A1042-L1046 VanDerWaalsContact O-N 3.14Å; A1043-L1046 PolarHBondContact O-N 3.01Å; L1046-A1050 VanDerWaalsContact O-CB 3.28Å; L1046-A1050 WeakPolarHBondContact O-CB 3.41Å; L1046-A1050 PolarHBondContact O-N 3.15Å
1047	A	92.7	Very high	91.1	Very high	14 Å²	14	41.9 Å²	41.9	12%	0.116	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-36.6	176.3	0	0	0	0	0	113.3	V951 V954 A1043 H1044 A1045 K1051	V951-A1047 HydrophobicContact CG2-CB 4.27Å; V954-A1047 HydrophobicContact CB-CB 4.25Å; V954-A1047 HydrophobicContact CG1-CB 4.04Å; V954-A1047 HydrophobicContact CG2-CB 4.22Å; A1043-A1047 PolarHBondContact O-N 3.17Å; A1043-A1047 VanDerWaalsContact O-N 3.14Å; H1044-A1047 PolarHBondContact O-N 3.22Å; A1045-A1047 VanDerWaalsContact C-N 3.26Å; A1045-A1047 PolarHBondContact O-N 2.83Å; A1047-K1051 PolarHBondContact O-N 2.8Å
1048	V	91.3	Very high	91	Very high	85 Å²	85	36 Å²	36	52%	0.515	19%	0.194	S	C	.	.	H	α-helix	trans	-68	-46.5	175.3	168.5	0	0	0	0	110.7	H1044 A1045 A1050 K1051 N1052	H1044-V1048 WeakPolarHBondContact O-CG2 3.46Å; H1044-V1048 PolarHBondContact O-N 3.24Å; A1045-V1048 PolarHBondContact O-N 2.81Å; V1048-A1050 VanDerWaalsContact C-N 3.29Å; V1048-A1050 PolarHBondContact O-N 3.07Å; V1048-K1051 WeakPolarHBondContact O-CA 3.19Å; V1048-K1051 WeakPolarHBondContact O-CB 3.41Å; V1048-K1051 PolarHBondContact O-N 3.15Å; V1048-K1051 VanDerWaalsContact O-N 3.11Å; V1048-N1052 PolarHBondContact O-N 3.39Å
1049	D	90.9	Very high	90.6	Very high	40 Å²	40	38 Å²	38	21%	0.214	20%	0.203	C	C	.	.	H	α-helix	trans	-71.7	-24.4	179.8	-77.8	-59	0	0	0	113	L1008 L1009 A1045 K1051 N1052 L1053	L1008-D1049 HydrophobicContact CD2-CB 4.19Å; L1009-D1049 HydrophobicContact CD2-CB 3.85Å; A1045-D1049 PolarHBondContact O-N 3.33Å; D1049-K1051 VanDerWaalsContact C-N 3.31Å; D1049-N1052 PolarHBondContact O-N 3.04Å; D1049-N1052 PolarHBondContact OD1-ND2 3.24Å; D1049-L1053 PolarHBondContact O-N 2.99Å
1050	A	92.1	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-33.8	169.6	0	0	0	0	0	111.9	V947 L950 L983 L1009 L1046 V1048 L1054	V947-A1050 HydrophobicContact CG1-CB 4.46Å; L950-A1050 HydrophobicContact CD2-CB 3.62Å; L983-A1050 HydrophobicContact CD2-CB 4.11Å; L1009-A1050 HydrophobicContact CD2-CB 4.17Å; L1046-A1050 VanDerWaalsContact O-CB 3.28Å; L1046-A1050 WeakPolarHBondContact O-CB 3.41Å; L1046-A1050 PolarHBondContact O-N 3.15Å; V1048-A1050 VanDerWaalsContact C-N 3.29Å; V1048-A1050 PolarHBondContact O-N 3.07Å; A1050-L1054 PolarHBondContact O-N 3.4Å
1051	K	90.1	Very high	89.9	Confident	101 Å²	101	39.4 Å²	39.4	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-70.2	-41.1	168.9	-170.6	-165.5	167.5	-169.1	0	111.4	A1047 V1048 D1049 L1053 L1054 D1055	A1047-K1051 PolarHBondContact O-N 2.8Å; V1048-K1051 WeakPolarHBondContact O-CA 3.19Å; V1048-K1051 WeakPolarHBondContact O-CB 3.41Å; V1048-K1051 PolarHBondContact O-N 3.15Å; V1048-K1051 VanDerWaalsContact O-N 3.11Å; D1049-K1051 VanDerWaalsContact C-N 3.31Å; K1051-L1053 PolarHBondContact O-N 2.95Å; K1051-L1054 WeakPolarHBondContact O-CA 3.48Å; K1051-L1054 WeakPolarHBondContact O-CB 3.35Å; K1051-L1054 PolarHBondContact O-N 3.18Å; K1051-D1055 WeakPolarHBondContact CE-OD2 3.5Å; K1051-D1055 PolarHBondContact O-N 3.32Å
1052	N	89.4	Confident	89.3	Confident	72 Å²	72	37 Å²	37	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-37.7	176.2	-65	-27.7	0	0	0	111.7	V1048 D1049 D1055 V1056	V1048-N1052 PolarHBondContact O-N 3.39Å; D1049-N1052 PolarHBondContact O-N 3.04Å; D1049-N1052 PolarHBondContact OD1-ND2 3.24Å; N1052-D1055 PolarHBondContact O-N 3.41Å; N1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; N1052-V1056 PolarHBondContact O-N 3.48Å
1053	L	91.5	Very high	88.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-43.7	172.1	173.9	58.6	0	0	0	112.5	V987 I1002 A1005 L1009 D1049 K1051 V1056 I1057	V987-L1053 HydrophobicContact CG1-CD1 4.49Å; V987-L1053 HydrophobicContact CG2-CD2 4.21Å; I1002-L1053 HydrophobicContact CG2-CD1 4Å; A1005-L1053 HydrophobicContact CB-CB 4.27Å; A1005-L1053 HydrophobicContact CB-CD1 3.85Å; L1009-L1053 HydrophobicContact CD1-CB 4.44Å; L1009-L1053 HydrophobicContact CD1-CD2 3.51Å; D1049-L1053 PolarHBondContact O-N 2.99Å; K1051-L1053 PolarHBondContact O-N 2.95Å; L1053-V1056 PolarHBondContact O-N 2.97Å; L1053-I1057 HydrophobicContact CD1-CD1 3.84Å; L1053-I1057 HydrophobicContact CD1-CG1 4.33Å; L1053-I1057 HydrophobicContact CG-CD1 4.07Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.33Å; L1053-I1057 PolarHBondContact O-N 2.87Å
1054	L	91.1	Very high	87.6	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-48.2	173.7	179.2	66	0	0	0	111.6	V943 Y944 V947 A1050 K1051 V1056 I1057 D1058	V943-L1054 HydrophobicContact CG1-CD1 4.08Å; Y944-L1054 HydrophobicContact CD2-CD2 3.87Å; V947-L1054 HydrophobicContact CG1-CD2 4.33Å; V947-L1054 HydrophobicContact CG2-CB 4.21Å; A1050-L1054 PolarHBondContact O-N 3.4Å; K1051-L1054 WeakPolarHBondContact O-CA 3.48Å; K1051-L1054 WeakPolarHBondContact O-CB 3.35Å; K1051-L1054 PolarHBondContact O-N 3.18Å; L1054-V1056 VanDerWaalsContact C-N 3.26Å; L1054-V1056 PolarHBondContact O-N 3.18Å; L1054-I1057 PolarHBondContact O-N 2.85Å; L1054-I1057 VanDerWaalsContact O-N 3.08Å; L1054-D1058 WeakPolarHBondContact O-CB 3.34Å; L1054-D1058 PolarHBondContact O-N 3.14Å
1055	D	87.3	Confident	86.6	Confident	43 Å²	43	44 Å²	44	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-31.1	-179.1	-71.8	-33.3	0	0	0	111.8	K1051 N1052 Q1059	K1051-D1055 WeakPolarHBondContact CE-OD2 3.5Å; K1051-D1055 PolarHBondContact O-N 3.32Å; N1052-D1055 PolarHBondContact O-N 3.41Å; D1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; D1055-Q1059 WeakPolarHBondContact O-CG 3.39Å; D1055-Q1059 PolarHBondContact O-N 3.12Å; D1055-Q1059 VanDerWaalsContact O-N 3.1Å; D1055-Q1059 PolarHBondContact O-NE2 3.2Å
1056	V	86.6	Confident	85.1	Confident	38 Å²	38	46.3 Å²	46.3	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-42.4	171.6	168.6	0	0	0	0	112	E1001 I1002 N1052 L1053 L1054 S1060	E1001-V1056 HydrophobicContact CB-CG1 4.31Å; I1002-V1056 HydrophobicContact CG1-CG1 3.99Å; N1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; N1052-V1056 PolarHBondContact O-N 3.48Å; L1053-V1056 PolarHBondContact O-N 2.97Å; L1054-V1056 VanDerWaalsContact C-N 3.26Å; L1054-V1056 PolarHBondContact O-N 3.18Å; V1056-S1060 WeakPolarHBondContact O-CB 3.38Å; V1056-S1060 PolarHBondContact O-N 3.02Å; V1056-S1060 PolarHBondContact O-OG 3.41Å
1057	I	88.3	Confident	83.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-41.5	177.3	-73.4	168.6	0	0	0	110.8	V943 V987 L994 I1002 L1053 L1054 S1060 R1061	V943-I1057 HydrophobicContact CG1-CD1 3.91Å; V987-I1057 HydrophobicContact CB-CD1 4.45Å; V987-I1057 HydrophobicContact CG1-CD1 3.91Å; V987-I1057 HydrophobicContact CG2-CD1 3.72Å; L994-I1057 HydrophobicContact CD1-CG1 4.37Å; L994-I1057 HydrophobicContact CD1-CG2 4.28Å; I1002-I1057 HydrophobicContact CD1-CG1 4.15Å; I1002-I1057 HydrophobicContact CG1-CG1 4.26Å; L1053-I1057 HydrophobicContact CD1-CD1 3.84Å; L1053-I1057 HydrophobicContact CD1-CG1 4.33Å; L1053-I1057 HydrophobicContact CG-CD1 4.07Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.33Å; L1053-I1057 PolarHBondContact O-N 2.87Å; L1054-I1057 PolarHBondContact O-N 2.85Å; L1054-I1057 VanDerWaalsContact O-N 3.08Å; I1057-S1060 WeakPolarHBondContact O-CA 3.5Å; I1057-S1060 VanDerWaalsContact O-CB 3.3Å; I1057-S1060 WeakPolarHBondContact O-CB 3.42Å; I1057-S1060 PolarHBondContact O-N 2.78Å; I1057-S1060 VanDerWaalsContact O-N 3.08Å; I1057-R1061 WeakPolarHBondContact O-CG 3.47Å; I1057-R1061 PolarHBondContact O-N 3.05Å
1058	D	86.8	Confident	81.4	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.032	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-39.7	178	-73.3	-26.7	0	0	0	112.8	L936 R938 L1054 S1060 R1061 L1062	L936-D1058 HydrophobicContact CD1-CB 3.72Å; R938-D1058 IonicContact CZ-OD1 3.69Å; R938-D1058 IonicContact CZ-OD2 3.78Å; R938-D1058 VanDerWaalsContact NH1-CG 3.27Å; R938-D1058 IonicContact NH1-OD1 3.18Å; R938-D1058 PolarHBondContact NH1-OD1 3.49Å; R938-D1058 VanDerWaalsContact NH1-OD1 3.07Å; R938-D1058 IonicContact NH1-OD2 2.91Å; R938-D1058 PolarHBondContact NH1-OD2 2.88Å; R938-D1058 IonicContact NH2-OD1 3.97Å; R938-D1058 IonicContact NH2-OD2 2.76Å; R938-D1058 PolarHBondContact NH2-OD2 3Å; L1054-D1058 WeakPolarHBondContact O-CB 3.34Å; L1054-D1058 PolarHBondContact O-N 3.14Å; D1058-S1060 PolarHBondContact O-N 2.9Å; D1058-R1061 PolarHBondContact O-N 3.29Å; D1058-R1061 WeakPolarHBondContact OD1-CD 3.32Å; D1058-R1061 IonicContact OD1-CZ 3.33Å; D1058-R1061 IonicContact OD1-NH1 3.63Å; D1058-R1061 PolarHBondContact OD1-NH1 2.86Å; D1058-L1062 WeakPolarHBondContact O-CB 3.5Å; D1058-L1062 VanDerWaalsContact O-CG 3.28Å; D1058-L1062 WeakPolarHBondContact O-CG 3.39Å; D1058-L1062 PolarHBondContact O-N 3.11Å
1059	Q	83.2	Confident	79	Confident	105 Å²	105	65.5 Å²	65.5	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-31.5	168.5	-76.9	172.9	63.7	0	0	112.4	D1055 K1063	D1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; D1055-Q1059 WeakPolarHBondContact O-CG 3.39Å; D1055-Q1059 PolarHBondContact O-N 3.12Å; D1055-Q1059 VanDerWaalsContact O-N 3.1Å; D1055-Q1059 PolarHBondContact O-NE2 3.2Å; Q1059-K1063 VanDerWaalsContact O-CD 3.27Å; Q1059-K1063 WeakPolarHBondContact O-CD 3.17Å; Q1059-K1063 WeakPolarHBondContact O-CE 3.33Å; Q1059-K1063 WeakPolarHBondContact O-CG 2.84Å; Q1059-K1063 PolarHBondContact O-N 2.8Å
1060	S	84.9	Confident	76.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-73.5	-43.2	176.7	-55.5	0	0	0	0	111.7	T998 V1056 I1057 D1058 K1063 M1064	T998-S1060 WeakPolarHBondContact CB-OG 3.36Å; T998-S1060 WeakPolarHBondContact CG2-OG 3.29Å; V1056-S1060 WeakPolarHBondContact O-CB 3.38Å; V1056-S1060 PolarHBondContact O-N 3.02Å; V1056-S1060 PolarHBondContact O-OG 3.41Å; I1057-S1060 WeakPolarHBondContact O-CA 3.5Å; I1057-S1060 VanDerWaalsContact O-CB 3.3Å; I1057-S1060 WeakPolarHBondContact O-CB 3.42Å; I1057-S1060 PolarHBondContact O-N 2.78Å; I1057-S1060 VanDerWaalsContact O-N 3.08Å; D1058-S1060 PolarHBondContact O-N 2.9Å; S1060-K1063 PolarHBondContact O-N 2.9Å; S1060-M1064 PolarHBondContact O-N 2.91Å
1061	R	85.8	Confident	74.3	Confident	50 Å²	50	82.1 Å²	82.1	19%	0.189	40%	0.403	C	S	.	.	H	α-helix	trans	-60.5	-45.6	173	-68.6	160.5	168.7	-179.3	-11.6	112	D941 L994 I1057 D1058 K1063 M1064 I1065	D941-R1061 VanDerWaalsContact CG-NH1 3.28Å; D941-R1061 IonicContact OD1-CZ 3.45Å; D941-R1061 IonicContact OD1-NH1 3.42Å; D941-R1061 PolarHBondContact OD1-NH1 2.94Å; D941-R1061 IonicContact OD1-NH2 3.89Å; D941-R1061 PolarHBondContact OD1-NH2 2.77Å; D941-R1061 IonicContact OD2-CZ 2.72Å; D941-R1061 IonicContact OD2-NH1 2.71Å; D941-R1061 PolarHBondContact OD2-NH1 3.36Å; D941-R1061 IonicContact OD2-NH2 3.5Å; L994-R1061 HydrophobicContact CD2-CG 3.97Å; I1057-R1061 WeakPolarHBondContact O-CG 3.47Å; I1057-R1061 PolarHBondContact O-N 3.05Å; D1058-R1061 PolarHBondContact O-N 3.29Å; D1058-R1061 WeakPolarHBondContact OD1-CD 3.32Å; D1058-R1061 IonicContact OD1-CZ 3.33Å; D1058-R1061 IonicContact OD1-NH1 3.63Å; D1058-R1061 PolarHBondContact OD1-NH1 2.86Å; R1061-K1063 VanDerWaalsContact C-N 3.33Å; R1061-K1063 PolarHBondContact O-N 3.38Å; R1061-M1064 WeakPolarHBondContact O-CB 3.39Å; R1061-M1064 PolarHBondContact O-N 2.85Å; R1061-M1064 VanDerWaalsContact O-N 3.13Å; R1061-I1065 WeakPolarHBondContact O-CG1 3.12Å; R1061-I1065 PolarHBondContact O-N 2.89Å; R1061-I1065 VanDerWaalsContact O-N 3.09Å
1062	L	79.9	Confident	73.5	Confident	70 Å²	70	81.2 Å²	81.2	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-37.8	178	-72.7	167.6	0	0	0	112.4	A934 L936 D1058 M1064 I1065 S1066	A934-L1062 HydrophobicContact CB-CD1 4.18Å; L936-L1062 HydrophobicContact CD1-CD1 4.42Å; L936-L1062 HydrophobicContact CD1-CD2 4.45Å; L936-L1062 HydrophobicContact CD1-CG 4.23Å; L936-L1062 HydrophobicContact CD2-CD2 3.93Å; L936-L1062 HydrophobicContact CD2-CG 4.29Å; L936-L1062 HydrophobicContact CG-CD2 4.13Å; L936-L1062 HydrophobicContact CG-CG 4.43Å; D1058-L1062 WeakPolarHBondContact O-CB 3.5Å; D1058-L1062 VanDerWaalsContact O-CG 3.28Å; D1058-L1062 WeakPolarHBondContact O-CG 3.39Å; D1058-L1062 PolarHBondContact O-N 3.11Å; L1062-M1064 VanDerWaalsContact C-N 3.34Å; L1062-M1064 PolarHBondContact O-N 3.15Å; L1062-I1065 PolarHBondContact O-N 2.85Å; L1062-S1066 PolarHBondContact O-N 3.39Å; L1062-S1066 VanDerWaalsContact O-N 3.07Å
1063	K	75.9	Confident	72.6	Confident	95 Å²	95	81.6 Å²	81.6	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-42	173.1	-71.7	161	-166.8	167.5	0	111.4	Q1059 S1060 R1061 S1066 Q1067	Q1059-K1063 VanDerWaalsContact O-CD 3.27Å; Q1059-K1063 WeakPolarHBondContact O-CD 3.17Å; Q1059-K1063 WeakPolarHBondContact O-CE 3.33Å; Q1059-K1063 WeakPolarHBondContact O-CG 2.84Å; Q1059-K1063 PolarHBondContact O-N 2.8Å; S1060-K1063 PolarHBondContact O-N 2.9Å; R1061-K1063 VanDerWaalsContact C-N 3.33Å; R1061-K1063 PolarHBondContact O-N 3.38Å; K1063-S1066 PolarHBondContact O-N 3.45Å; K1063-S1066 PolarHBondContact O-OG 3.41Å; K1063-Q1067 PolarHBondContact O-N 2.67Å
1064	M	74.8	Confident	71.6	Confident	62 Å²	62	86.2 Å²	86.2	31%	0.305	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-47.3	175.7	-63.8	172.9	70.1	0	0	112.6	V993 L994 P995 S1060 R1061 L1062 S1066 Q1067 I1068	V993-M1064 WeakPolarHBondContact O-CE 3.36Å; L994-M1064 HydrophobicContact CD2-SD 4.01Å; P995-M1064 HydrophobicContact CG-CG 3.64Å; P995-M1064 HydrophobicContact CG-SD 4.25Å; S1060-M1064 PolarHBondContact O-N 2.91Å; R1061-M1064 WeakPolarHBondContact O-CB 3.39Å; R1061-M1064 PolarHBondContact O-N 2.85Å; R1061-M1064 VanDerWaalsContact O-N 3.13Å; L1062-M1064 VanDerWaalsContact C-N 3.34Å; L1062-M1064 PolarHBondContact O-N 3.15Å; M1064-S1066 PolarHBondContact O-N 3.04Å; M1064-Q1067 PolarHBondContact O-N 3.47Å; M1064-I1068 WeakPolarHBondContact O-CG1 3.39Å; M1064-I1068 PolarHBondContact O-N 3.1Å
1065	I	69.6	Low	70.5	Confident	95 Å²	95	90.9 Å²	90.9	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-58.2	-37.8	178.9	-62.9	166.6	0	0	0	110.3	L936 R1061 L1062 Q1067 I1068	L936-I1065 HydrophobicContact CD2-CD1 3.92Å; R1061-I1065 WeakPolarHBondContact O-CG1 3.12Å; R1061-I1065 PolarHBondContact O-N 2.89Å; R1061-I1065 VanDerWaalsContact O-N 3.09Å; L1062-I1065 PolarHBondContact O-N 2.85Å; I1065-Q1067 PolarHBondContact O-N 3.1Å; I1065-I1068 PolarHBondContact O-N 3.03Å
1066	S	60.1	Low	69.4	Low	90 Å²	90	93.9 Å²	93.9	63%	0.629	46%	0.462	S	S	*	.	H	α-helix	trans	-67	-15.8	176.7	77.7	0	0	0	0	115.2	L1062 K1063 M1064	L1062-S1066 PolarHBondContact O-N 3.39Å; L1062-S1066 VanDerWaalsContact O-N 3.07Å; K1063-S1066 PolarHBondContact O-N 3.45Å; K1063-S1066 PolarHBondContact O-OG 3.41Å; M1064-S1066 PolarHBondContact O-N 3.04Å
1067	Q	56.2	Low	68.3	Low	153 Å²	153	97.6 Å²	97.6	72%	0.715	48%	0.477	S	S	*	.	H	α-helix	trans	-97.8	-10.9	179.6	-70.1	179.8	-25	0	0	114	K1063 M1064 I1065	K1063-Q1067 PolarHBondContact O-N 2.67Å; M1064-Q1067 PolarHBondContact O-N 3.47Å; I1065-Q1067 PolarHBondContact O-N 3.1Å
1068	I	54.2	Low	66.8	Low	131 Å²	131	104.5 Å²	104.5	67%	0.672	51%	0.511	S	S	*	.	H	α-helix	trans	-97.2	-11.6	-171.5	-67.8	167.9	0	0	0	112.8	M1064 I1065 P1070	M1064-I1068 WeakPolarHBondContact O-CG1 3.39Å; M1064-I1068 PolarHBondContact O-N 3.1Å; I1065-I1068 PolarHBondContact O-N 3.03Å; I1068-P1070 WeakPolarHBondContact O-CD 3.14Å
1069	R	40.8	Very low	65.3	Low	218 Å²	218	112.1 Å²	112.1	82%	0.823	55%	0.548	S	S	*	.			trans	-81.8	119.5	169.9	-73.2	-172.8	175.7	-173.8	-1.2	110.6
1070	P	46.3	Very low	63.8	Low	119 Å²	119	112.7 Å²	112.7	77%	0.773	55%	0.552	S	S	*	*			trans	-66.5	163.5	163.1	30.8	-34.1	0	0	0	110.6	I1068	I1068-P1070 WeakPolarHBondContact O-CD 3.14Å
1071	Q	37.1	Very low	61.9	Low	269 Å²	269	122.9 Å²	122.9	100%	1.257	60%	0.603	S	S	*	*			trans	-77.9	0	168.3	-67.8	-174.9	-12.6	0	0	111.1

Retrieved 1,071 of 1,071 residues in 236 ms (Link to these results)

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