A0A087XL25_POEFO Loading...

5-taurinomethyluridine-[tRNA] synthase subunit MTO1, mitochondrial

Component of the GTPBP3-MTO1 complex that catalyzes the 5-taurinomethyluridine (taum(5)U) modification at the 34th wobble position (U34) of mitochondrial tRNAs (mt-tRNAs), which plays a role in mt-tRNA decoding and mitochondrial translation. Taum(5)U formation on mammalian mt-tRNA requires the presence of both GTPBP3-mediated GTPase activity and MTO1 catalytic activity.

AlphaFold DB , UniProt , Accession A0A087XL25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 aa.

Structure Viewer

Loading PAE data...

(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	27	Very low	28.5	Very low	242 Å²	242	148.8 Å²	148.8	100%	1.192	80%	0.799	S	S	*	*				0	130.9	0	-77.1	-176.8	178.1	0	0	107.5
2	F	27.5	Very low	28.2	Very low	185 Å²	185	148.3 Å²	148.3	81%	0.811	79%	0.794	S	S	*	*				-162.4	147.4	-53.4	-134.7	-79.4	0	0	0	104.5	Q4	F2-Q4 HydrophobicContact CE1-CG 4.33Å
3	G	25.4	Very low	27.8	Very low	70 Å²	70	154.6 Å²	154.6	72%	0.722	80%	0.803	S	S	*	*			trans	132.6	86	177.8	0	0	0	0	0	110.5
4	Q	31.6	Very low	27.8	Very low	156 Å²	156	153.6 Å²	153.6	73%	0.729	80%	0.799	S	S	*	*			cis	75.5	134.7	44.4	-103.4	-170	-5.3	0	0	116.6	F2	F2-Q4 HydrophobicContact CE1-CG 4.33Å
5	L	29.3	Very low	27.4	Very low	152 Å²	152	148.1 Å²	148.1	80%	0.796	79%	0.794	S	S	*	*			trans	103.4	133.9	162.7	-71.4	121.6	0	0	0	118.3
6	V	26.5	Very low	27.3	Very low	128 Å²	128	146.1 Å²	146.1	78%	0.776	79%	0.794	S	S	*	*			cis	-178.2	154.6	-18.2	126.2	0	0	0	0	108.1
7	L	26.2	Very low	27.1	Very low	136 Å²	136	151.9 Å²	151.9	71%	0.712	80%	0.802	S	S	*	*			trans	-71.1	167.1	171.1	-111.7	145.3	0	0	0	112.8	L9	L7-L9 HydrophobicContact CD2-CD1 4.49Å
8	P	42	Very low	26.9	Very low	128 Å²	128	153.9 Å²	153.9	83%	0.831	80%	0.802	S	S	*	*				-150.8	166	95.3	33.5	-12.5	0	0	0	117.7
9	L	24.9	Very low	26.9	Very low	144 Å²	144	152.9 Å²	152.9	75%	0.754	80%	0.804	S	S	*	*			trans	-76	164.8	175.4	-91.4	108.9	0	0	0	115.4	L7	L7-L9 HydrophobicContact CD2-CD1 4.49Å
10	Y	24.8	Very low	26.9	Very low	226 Å²	226	154.5 Å²	154.5	89%	0.886	81%	0.806	S	S	*	*			trans	152.4	144.3	130.5	-100.3	-94.3	0	0	0	109.6
11	A	28.1	Very low	26.8	Very low	70 Å²	70	153 Å²	153	58%	0.579	80%	0.804	S	S	*	*			cis	-173.9	156.1	-22.8	0	0	0	0	0	110.1
12	L	24.9	Very low	26.6	Very low	142 Å²	142	149.8 Å²	149.8	74%	0.743	79%	0.79	S	S	*	*			trans	61.5	122.8	142.2	-72.3	156.9	0	0	0	123.8
13	Y	23.3	Very low	26.4	Very low	231 Å²	231	149.5 Å²	149.5	91%	0.906	79%	0.789	S	S	*	*				-157.2	150.8	118.6	-121.5	-88.8	0	0	0	112.6
14	N	27.1	Very low	26.3	Very low	141 Å²	141	150.8 Å²	150.8	75%	0.754	79%	0.786	S	S	*	*			trans	-89.9	164.6	-155.3	-83.8	-53.8	0	0	0	118.4
15	G	23.2	Very low	25.9	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	79%	0.787	S	S	*	*			trans	112.3	91	136.3	0	0	0	0	0	116.5
16	C	24.3	Very low	25.7	Very low	116 Å²	116	149.7 Å²	149.7	78%	0.784	79%	0.793	S	S	*	*				70	119.4	76.8	-147.8	0	0	0	0	114.7
17	W	24	Very low	25.8	Very low	246 Å²	246	149 Å²	149	93%	0.932	79%	0.789	S	S	*	*				-178.1	142.4	110.5	-100.4	64.5	0	0	0	112.2
18	K	24.9	Very low	25.7	Very low	187 Å²	187	149.7 Å²	149.7	81%	0.813	79%	0.793	S	S	*	*			trans	-91.2	152.8	178.8	-73.2	169.1	168.4	174.5	0	111.3
19	T	25.3	Very low	25	Very low	135 Å²	135	153.6 Å²	153.6	83%	0.828	80%	0.797	S	S	*	*			trans	-174.1	112.8	135.8	0.8	0	0	0	0	108.6
20	Q	26.9	Very low	25	Very low	184 Å²	184	156.1 Å²	156.1	86%	0.86	80%	0.802	S	S	*	*				60.5	101.2	76.1	-104.8	178.8	-10.1	0	0	116.9
21	V	25.3	Very low	25.8	Very low	123 Å²	123	150.5 Å²	150.5	75%	0.745	79%	0.793	S	S	*	*			trans	22	124.5	134.8	-173.7	0	0	0	0	118.9
22	L	22.8	Very low	25.6	Very low	175 Å²	175	155.7 Å²	155.7	92%	0.916	81%	0.81	S	S	*	*			trans	-160.7	163	131.9	-133.6	88.6	0	0	0	113.6
23	F	23.3	Very low	25.6	Very low	179 Å²	179	153 Å²	153	79%	0.785	81%	0.809	S	S	*	*			trans	-107.3	157.9	-155.2	-136.6	-106.6	0	0	0	112.2
24	C	23.9	Very low	26.2	Very low	98 Å²	98	147.3 Å²	147.3	66%	0.662	80%	0.8	S	S	*	*			trans	76.7	123.1	146.8	-104.6	0	0	0	0	123.8
25	C	23.7	Very low	26	Very low	110 Å²	110	150.4 Å²	150.4	74%	0.743	81%	0.807	S	S	*	*			trans	60.1	114.2	131.4	-70.5	0	0	0	0	120.9
26	L	25	Very low	26	Very low	175 Å²	175	154 Å²	154	92%	0.916	81%	0.809	S	S	*	*			trans	-149.8	145.1	131.6	-100.6	166.1	0	0	0	110.4
27	T	27.3	Very low	26	Very low	113 Å²	113	156.2 Å²	156.2	69%	0.693	81%	0.812	S	S	*	*			trans	-97.9	159.8	-156.9	43.2	0	0	0	0	115.4
28	N	25.4	Very low	26	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	80%	0.798	S	S	*	*			trans	79.1	107.9	148.7	-83.4	-23.3	0	0	0	120.7
29	K	25.8	Very low	25.9	Very low	210 Å²	210	147.3 Å²	147.3	91%	0.913	80%	0.8	S	S	*	*				-171.8	132	98.3	-93.8	175.7	-177.2	-178.5	0	111.1
30	K	25.9	Very low	25.9	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	80%	0.798	S	S	*	*			trans	-82	-177.6	175.3	-91	-174.6	-177.3	-178.8	0	111.6
31	P	41.2	Very low	25.9	Very low	108 Å²	108	148.4 Å²	148.4	70%	0.701	80%	0.796	S	S	*	*			cis	-135.7	172.2	-25.8	29.7	-9.3	0	0	0	113.7
32	L	24.6	Very low	25.9	Very low	180 Å²	180	149.6 Å²	149.6	94%	0.942	80%	0.804	S	S	*	*			trans	-176.9	136	132.1	-97.1	154.7	0	0	0	109.8
33	A	25	Very low	26	Very low	86 Å²	86	146.5 Å²	146.5	71%	0.711	80%	0.796	S	S	*	*			trans	-114.1	-170.3	176.9	0	0	0	0	0	109.1
34	P	34.6	Very low	26	Very low	110 Å²	110	146.1 Å²	146.1	71%	0.714	80%	0.802	S	S	*	*				-120.3	164.9	-76.6	35.5	-21.1	0	0	0	111.2
35	F	23.4	Very low	26.1	Very low	207 Å²	207	149 Å²	149	91%	0.908	81%	0.809	S	S	*	*			trans	-130.2	117.2	163.9	-101.1	-85.5	0	0	0	111.8
36	L	22.9	Very low	26.1	Very low	146 Å²	146	151.8 Å²	151.8	76%	0.764	82%	0.816	S	S	*	*			trans	-58.4	145.3	153.8	-94.1	81.8	0	0	0	109.4
37	L	24.3	Very low	26.2	Very low	161 Å²	161	152.2 Å²	152.2	84%	0.843	81%	0.811	S	S	*	*			trans	-148.5	120.5	144.1	-115.2	144.5	0	0	0	112.1
38	V	24	Very low	26	Very low	104 Å²	104	156.1 Å²	156.1	63%	0.63	82%	0.821	S	S	*	*			trans	-62.2	140	164.8	171.5	0	0	0	0	109.1
39	V	23.9	Very low	26.1	Very low	143 Å²	143	156 Å²	156	87%	0.867	82%	0.821	S	S	*	*			trans	-131.1	119.2	155.4	-178.7	0	0	0	0	108.9
40	Q	24.1	Very low	26.1	Very low	168 Å²	168	153.3 Å²	153.3	79%	0.785	82%	0.822	S	S	*	*			trans	-99.5	154.9	175.7	-143.9	174	-11.3	0	0	108.6
41	E	26.6	Very low	25.9	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	82%	0.818	S	S	*	*			trans	-51.8	153	-175.9	-61.4	168.1	137.8	0	0	115.7
42	T	25.6	Very low	25.2	Very low	149 Å²	149	150 Å²	150	91%	0.914	82%	0.824	S	S	*	*				-175.2	142.8	121.9	22	0	0	0	0	113.2
43	S	25	Very low	25.2	Very low	109 Å²	109	152 Å²	152	76%	0.762	82%	0.821	S	S	*	*			trans	-80.8	151.2	-178.8	-33.9	0	0	0	0	112.8
44	L	24.4	Very low	25.1	Very low	172 Å²	172	154.4 Å²	154.4	90%	0.901	82%	0.822	S	S	*	*			trans	-166.4	126.5	144.2	-108.2	141.8	0	0	0	112.7
45	L	25.5	Very low	24.6	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	83%	0.832	S	S	*	*			trans	-74.2	143.1	163.4	-82.2	147.3	0	0	0	109.6
46	L	23.9	Very low	24.7	Very low	169 Å²	169	150.2 Å²	150.2	89%	0.885	83%	0.825	S	S	*	*			trans	-149.3	128.6	150.6	-99.1	166.6	0	0	0	110.4
47	F	25.7	Very low	24.8	Very low	184 Å²	184	148.6 Å²	148.6	81%	0.807	83%	0.826	S	S	*	*			trans	-82.3	143.6	163.5	-106.1	-98.4	0	0	0	108.4
48	E	24.3	Very low	24.9	Very low	195 Å²	195	147.9 Å²	147.9	91%	0.911	82%	0.823	S	S	*	*			trans	-145.2	121	154.1	-104.2	-179.3	174.6	0	0	109.8
49	D	27	Very low	24.8	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	83%	0.829	S	S	*	*			trans	-74.8	153.6	159.6	-89.3	-42.5	0	0	0	109.6
50	V	25.8	Very low	24.9	Very low	154 Å²	154	146.3 Å²	146.3	93%	0.933	82%	0.821	S	S	*	*			trans	164.6	127.3	134	160.9	0	0	0	0	109
51	G	23	Very low	24.9	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	82%	0.821	S	S	*	*			trans	172.7	65	169.5	0	0	0	0	0	114.7
52	L	25	Very low	24.8	Very low	160 Å²	160	145.7 Å²	145.7	84%	0.838	82%	0.816	S	S	*	*			trans	-72.2	133	162.3	-89.2	155.9	0	0	0	109.8
53	Y	24.3	Very low	24.7	Very low	222 Å²	222	145.4 Å²	145.4	87%	0.871	81%	0.809	S	S	*	*			trans	-158.1	118.6	140.8	-104.6	-74.5	0	0	0	112.3
54	N	24.6	Very low	24.7	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	82%	0.815	S	S	*	*			trans	-0.9	138.2	153.9	-64.6	-23	0	0	0	120.4
55	C	23.6	Very low	24.6	Very low	138 Å²	138	148.8 Å²	148.8	93%	0.932	81%	0.809	S	S	*	*				-164.1	143.5	108.2	-110.1	0	0	0	0	112.6
56	A	24.6	Very low	24.5	Very low	92 Å²	92	149.5 Å²	149.5	76%	0.76	81%	0.81	S	S	*	*			trans	-86.3	-174.3	-165.6	0	0	0	0	0	115.1
57	S	25.7	Very low	24.5	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	80%	0.798	S	S	*	*			trans	89.8	139.3	166.4	69.3	0	0	0	0	116.8
58	D	25.8	Very low	24.5	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	80%	0.798	S	S	*	*			cis	-171.7	153.8	-19.8	-117.1	-29.3	0	0	0	107.1
59	C	22.9	Very low	24.5	Very low	113 Å²	113	144.8 Å²	144.8	76%	0.764	80%	0.798	S	S	*	*			trans	58.8	143.4	154.1	-67.2	0	0	0	0	120.6
60	S	24.7	Very low	24.6	Very low	100 Å²	100	144.7 Å²	144.7	70%	0.699	80%	0.797	S	S	*	*			cis	-179.3	131.4	-7.5	47.9	0	0	0	0	108
61	H	26.1	Very low	24.8	Very low	166 Å²	166	143.3 Å²	143.3	77%	0.769	79%	0.789	S	S	*	*			trans	55.5	130.4	139	-92.4	-42.1	0	0	0	126.1
62	F	22.9	Very low	25	Very low	163 Å²	163	149.7 Å²	149.7	72%	0.715	80%	0.795	S	S	*	*			trans	99.1	91.9	132	-95.9	-78.2	0	0	0	120.6
63	D	24.9	Very low	25.2	Very low	142 Å²	142	152.1 Å²	152.1	76%	0.759	80%	0.799	S	S	*	*				25.6	125.8	128.2	-75.9	-33.9	0	0	0	121.1
64	R	24.3	Very low	25.5	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	80%	0.8	S	S	*	*				-159.4	120.5	124.5	-114.6	175.1	-169.8	-171.4	3.2	113.5
65	C	22.3	Very low	26	Very low	114 Å²	114	148.3 Å²	148.3	77%	0.77	80%	0.799	S	S	*	*			trans	54.7	105.3	141.4	-71.3	0	0	0	0	121.6
66	M	22.5	Very low	26.6	Very low	172 Å²	172	146.8 Å²	146.8	85%	0.847	79%	0.787	S	S	*	*				62.5	123.1	110.5	-115.9	-177.9	66	0	0	121.4
67	S	24.3	Very low	27.4	Very low	90 Å²	90	147.9 Å²	147.9	63%	0.629	78%	0.784	S	S	*	*			trans	98.8	127.3	141.7	-76.4	0	0	0	0	120.3
68	H	26.2	Very low	27.8	Very low	173 Å²	173	149.4 Å²	149.4	80%	0.801	78%	0.779	S	S	*	*			trans	75.8	94.5	162.4	-69.4	-56.4	0	0	0	118.8
69	M	24.7	Very low	28.3	Very low	186 Å²	186	146.1 Å²	146.1	92%	0.916	77%	0.767	S	S	*	*				-174	150.1	93.4	-93.6	-162.8	89	0	0	111.9
70	L	29	Very low	29.1	Very low	146 Å²	146	145.1 Å²	145.1	76%	0.764	76%	0.757	S	S	*	*			trans	-82	160.9	-170.3	-86.5	142.6	0	0	0	113.9
71	T	29.4	Very low	29.5	Very low	124 Å²	124	146.3 Å²	146.3	76%	0.761	76%	0.755	S	S	*	*			trans	90	106.4	148.5	67.3	0	0	0	0	120
72	K	26.7	Very low	30	Very low	210 Å²	210	143.6 Å²	143.6	91%	0.913	75%	0.746	S	S	*	*				-168.1	124.1	109.6	-100.1	169.3	-176	178.7	0	110.8
73	K	29.6	Very low	30.6	Very low	211 Å²	211	141.2 Å²	141.2	92%	0.917	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-78.9	140.4	176.9	-76.5	-179.2	174.1	-179.9	0	110.9
74	L	31.6	Very low	31.1	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-71.3	148.6	166.3	-78.2	148.2	0	0	0	111.4
75	P	33.8	Very low	31.7	Very low	110 Å²	110	130.9 Å²	130.9	71%	0.714	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-83.8	158.6	175.9	34.1	-30.8	0	0	0	112.2
76	P	37.6	Very low	32.4	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.6	-168.7	34	-32	0	0	0	112.9	H78	P76-H78 PolarHBondContact O-N 3.24Å
77	V	40.1	Very low	33	Very low	115 Å²	115	134.9 Å²	134.9	70%	0.697	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	13.9	-178.9	-174.2	0	0	0	0	113.2	S79	V77-S79 PolarHBondContact O-N 2.64Å
78	H	34.8	Very low	33.3	Very low	145 Å²	145	133.5 Å²	133.5	67%	0.671	70%	0.695	S	S	*	*	H	α-helix	trans	-77.8	-19.4	-172.7	-109.6	-63.1	0	0	0	115.1	P76	P76-H78 PolarHBondContact O-N 3.24Å
79	S	35.3	Very low	33.7	Very low	77 Å²	77	128.4 Å²	128.4	54%	0.538	68%	0.678	S	S	.	*	H	α-helix	trans	-80.3	-31.1	-176.2	58.8	0	0	0	0	113.7	V77 L83	V77-S79 PolarHBondContact O-N 2.64Å; S79-L83 PolarHBondContact O-N 3.06Å
80	V	39.7	Very low	34.1	Very low	92 Å²	92	126.1 Å²	126.1	56%	0.558	67%	0.665	S	S	*	*	H	α-helix	trans	-77.7	-37.9	-176.2	-178.9	0	0	0	0	111.4	L82 L83 V84	V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 2.97Å; V80-L83 PolarHBondContact O-N 2.69Å; V80-V84 WeakPolarHBondContact O-CG2 3.22Å; V80-V84 PolarHBondContact O-N 3.49Å
81	L	32.7	Very low	34.3	Very low	124 Å²	124	126.7 Å²	126.7	65%	0.649	67%	0.668	S	S	*	*	H	α-helix	trans	-65.8	-32	175.9	-96.4	142	0	0	0	113.1	S85	L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.09Å
82	L	36.6	Very low	34.9	Very low	109 Å²	109	125.5 Å²	125.5	57%	0.571	67%	0.665	S	S	*	*	H	α-helix	trans	-70.8	-34.9	174.6	-95.3	156.8	0	0	0	113	V80 R86	V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 2.97Å; L82-R86 WeakPolarHBondContact O-CB 3.37Å; L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 2.87Å
83	L	36.3	Very low	36	Very low	113 Å²	113	125.1 Å²	125.1	59%	0.592	66%	0.658	S	S	*	*	H	α-helix	trans	-73.7	-39.2	177.4	-94	152.1	0	0	0	112.4	S79 V80 R87	S79-L83 PolarHBondContact O-N 3.06Å; V80-L83 PolarHBondContact O-N 2.69Å; L83-R87 PolarHBondContact O-N 3.47Å; L83-R87 VanDerWaalsContact O-N 3.17Å
84	V	36.4	Very low	37.9	Very low	92 Å²	92	120.1 Å²	120.1	56%	0.558	64%	0.638	S	S	*	*	H	α-helix	trans	-72.3	-37.2	175.2	178.3	0	0	0	0	110.8	V80 R87 A88	V80-V84 WeakPolarHBondContact O-CG2 3.22Å; V80-V84 PolarHBondContact O-N 3.49Å; V84-R87 PolarHBondContact O-N 2.83Å; V84-A88 VanDerWaalsContact O-CB 3.3Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.4Å
85	S	35.8	Very low	40.7	Very low	72 Å²	72	120.9 Å²	120.9	50%	0.503	63%	0.629	S	S	.	*	H	α-helix	trans	-66.4	-35.7	174	-179.8	0	0	0	0	113	L81 S89	L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.09Å; S85-S89 VanDerWaalsContact O-CB 3.26Å; S85-S89 WeakPolarHBondContact O-CB 3.18Å; S85-S89 PolarHBondContact O-N 2.85Å; S85-S89 PolarHBondContact O-OG 3.21Å
86	R	36.9	Very low	43.7	Very low	182 Å²	182	117 Å²	117	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-37.2	171.7	-84.4	-177.5	172	-174.4	-1.7	113.2	L82 S89 Q90	L82-R86 WeakPolarHBondContact O-CB 3.37Å; L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 2.87Å; R86-S89 WeakPolarHBondContact CA-OG 3.21Å; R86-S89 PolarHBondContact O-OG 2.93Å; R86-Q90 WeakPolarHBondContact O-CG 3.44Å; R86-Q90 PolarHBondContact O-N 2.7Å
87	R	36.3	Very low	46.5	Very low	189 Å²	189	114 Å²	114	71%	0.713	58%	0.578	S	S	*	*	H	α-helix	trans	-74	-36.2	175.4	-77.7	-176.1	173.4	-173.3	-1.4	112.9	L83 V84	L83-R87 PolarHBondContact O-N 3.47Å; L83-R87 VanDerWaalsContact O-N 3.17Å; V84-R87 PolarHBondContact O-N 2.83Å
88	A	29.2	Very low	49.3	Very low	61 Å²	61	108.5 Å²	108.5	50%	0.504	55%	0.545	S	S	.	.	H	α-helix	trans	-75	-32	177.4	0	0	0	0	0	112.8	V84	V84-A88 VanDerWaalsContact O-CB 3.3Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.4Å
89	S	34.2	Very low	52.3	Low	65 Å²	65	101.6 Å²	101.6	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-76.1	-25.2	175	55.6	0	0	0	0	113.9	S85 R86 L91 S92	S85-S89 VanDerWaalsContact O-CB 3.26Å; S85-S89 WeakPolarHBondContact O-CB 3.18Å; S85-S89 PolarHBondContact O-N 2.85Å; S85-S89 PolarHBondContact O-OG 3.21Å; R86-S89 WeakPolarHBondContact CA-OG 3.21Å; R86-S89 PolarHBondContact O-OG 2.93Å; S89-L91 PolarHBondContact O-N 2.87Å; S89-S92 PolarHBondContact O-N 2.9Å; S89-S92 PolarHBondContact O-OG 3.02Å
90	Q	34.9	Very low	55.3	Low	138 Å²	138	97.9 Å²	97.9	65%	0.645	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.1	172.8	-89.5	177.2	-30.3	0	0	113.8	R86 S92	R86-Q90 WeakPolarHBondContact O-CG 3.44Å; R86-Q90 PolarHBondContact O-N 2.7Å; Q90-S92 VanDerWaalsContact C-N 3.33Å
91	L	33.3	Very low	58.1	Low	158 Å²	158	94 Å²	94	83%	0.827	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.5	178.2	-86	147.7	0	0	0	113.9	S89	S89-L91 PolarHBondContact O-N 2.87Å
92	S	41.5	Very low	61	Low	100 Å²	100	88.9 Å²	88.9	70%	0.699	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-13	-176.9	72.9	0	0	0	0	115.7	S89 Q90	S89-S92 PolarHBondContact O-N 2.9Å; S89-S92 PolarHBondContact O-OG 3.02Å; Q90-S92 VanDerWaalsContact C-N 3.33Å
93	R	50.3	Low	63.8	Low	202 Å²	202	83.9 Å²	83.9	76%	0.762	42%	0.416	S	S	*	.			trans	-142.5	110.5	172.8	-72.9	-176.8	176.7	165.1	-1.6	110.1	R95	R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.2Å
94	Q	69.6	Low	66.6	Low	106 Å²	106	79.4 Å²	79.4	50%	0.495	40%	0.397	S	S	.	.			trans	-68	88.9	172.1	-66.8	-173.1	3.6	0	0	109.3	Y96 I244 S245	Q94-Y96 HydrophobicContact CB-CE2 4.23Å; Q94-I244 HydrophobicContact CB-CG2 4.28Å; Q94-S245 PolarHBondContact O-N 2.7Å
95	R	89	Confident	69.5	Low	183 Å²	183	75.6 Å²	75.6	69%	0.691	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	177.9	-172.7	176.2	-179.4	176	-0.2	109.6	R93 S245	R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.2Å; R95-S245 WeakPolarHBondContact CA-O 3.13Å
96	Y	96.6	Very high	72.4	Confident	29 Å²	29	72.4 Å²	72.4	11%	0.114	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	161.6	174.2	-68	-82.1	0	0	0	110.1	Q94 L122 K208 I244 S245 A246 S247	Q94-Y96 HydrophobicContact CB-CE2 4.23Å; Y96-L122 HydrophobicContact CD1-CB 3.77Å; Y96-L122 HydrophobicContact CD2-CB 3.86Å; Y96-L122 HydrophobicContact CD2-CD2 3.9Å; Y96-L122 HydrophobicContact CD2-CG 4.42Å; Y96-L122 HydrophobicContact CE1-CB 3.94Å; Y96-L122 HydrophobicContact CE1-CD1 4.49Å; Y96-L122 HydrophobicContact CE2-CB 4.02Å; Y96-L122 HydrophobicContact CE2-CD1 4.27Å; Y96-L122 HydrophobicContact CE2-CD2 3.74Å; Y96-L122 HydrophobicContact CE2-CG 4.23Å; Y96-L122 HydrophobicContact CG-CB 3.73Å; Y96-K208 WeakPolarHBondContact OH-CD 3.34Å; Y96-I244 HydrophobicContact CD2-CG2 3.74Å; Y96-I244 HydrophobicContact CE2-CG2 3.96Å; Y96-S245 PolarHBondContact N-O 2.91Å; Y96-A246 WeakPolarHBondContact O-CA 3.32Å; Y96-S247 PolarHBondContact O-N 3.04Å
97	D	97.5	Very high	75.3	Confident	41 Å²	41	63.8 Å²	63.8	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-45.9	170.9	-67.7	-38	0	0	0	109.7	A119 E120 S247 S248 A494	D97-A119 HydrophobicContact CB-CB 3.8Å; D97-E120 PolarHBondContact N-O 3.14Å; D97-E120 PolarHBondContact OD2-N 2.95Å; D97-S247 WeakPolarHBondContact O-CB 3.4Å; D97-S247 PolarHBondContact O-N 3.15Å; D97-S248 PolarHBondContact O-N 3.11Å; D97-A494 HydrophobicContact CB-CB 3.95Å
98	V	98.3	Very high	78.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.7	-178.8	-177.4	0	0	0	0	110.4	V100 A114 A119 E120 T121 L122 S248 V250 A490 A491 A494	V98-V100 HydrophobicContact CG1-CG2 4.14Å; V98-A114 HydrophobicContact CB-CB 4.26Å; V98-A114 HydrophobicContact CG1-CB 4.16Å; V98-A114 HydrophobicContact CG2-CB 4.28Å; V98-A119 HydrophobicContact CG2-CB 3.95Å; V98-E120 PolarHBondContact N-O 3.22Å; V98-T121 HydrophobicContact CB-CG2 4.34Å; V98-T121 HydrophobicContact CG1-CG2 4.49Å; V98-T121 VanDerWaalsContact O-CA 3.31Å; V98-T121 WeakPolarHBondContact O-CA 3.19Å; V98-L122 PolarHBondContact O-N 3.26Å; V98-S248 WeakPolarHBondContact CA-O 3.36Å; V98-V250 HydrophobicContact CG1-CG2 4.07Å; V98-A490 HydrophobicContact CG1-CB 4.03Å; V98-A490 HydrophobicContact CG2-CB 4.26Å; V98-A491 HydrophobicContact CG2-CB 4.22Å; V98-A494 HydrophobicContact CG2-CB 4.17Å
99	I	98.5	Very high	81.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.4	167.2	-67.8	170.6	0	0	0	108.9	V101 L122 V124 I235 I244 A246 S248 V249 V250	I99-V101 HydrophobicContact CG2-CG2 4.14Å; I99-L122 CarbonylContact C-O 3.55Å; I99-L122 WeakPolarHBondContact CA-O 3.35Å; I99-L122 HydrophobicContact CD1-CD2 4.44Å; I99-L122 HydrophobicContact CG1-CB 4.16Å; I99-L122 HydrophobicContact CG1-CD2 4.24Å; I99-V124 HydrophobicContact CG2-CG2 4.37Å; I99-I235 HydrophobicContact CD1-CD1 4.42Å; I99-I235 HydrophobicContact CD1-CG1 3.94Å; I99-I235 HydrophobicContact CG2-CD1 3.67Å; I99-I235 HydrophobicContact CG2-CG1 4.14Å; I99-I235 HydrophobicContact CG2-CG2 4.28Å; I99-I244 HydrophobicContact CD1-CB 4.3Å; I99-I244 HydrophobicContact CD1-CG2 3.75Å; I99-A246 HydrophobicContact CB-CB 4.2Å; I99-A246 HydrophobicContact CD1-CB 3.43Å; I99-A246 VanDerWaalsContact CD1-CB 3.43Å; I99-A246 HydrophobicContact CG1-CB 3.53Å; I99-S248 PolarHBondContact N-O 2.78Å; I99-V249 HydrophobicContact CB-CG2 4.4Å; I99-V249 CarbonylContact O-C 3.58Å; I99-V249 VanDerWaalsContact O-CA 3.28Å; I99-V249 WeakPolarHBondContact O-CA 3.3Å; I99-V250 PolarHBondContact O-N 2.79Å
100	V	98.4	Very high	84.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.1	173.7	-176.8	0	0	0	0	108.7	V98 A110 A111 T121 L122 L123 V124 V250	V98-V100 HydrophobicContact CG1-CG2 4.14Å; V100-A110 HydrophobicContact CG1-CB 4.1Å; V100-A110 HydrophobicContact CG2-CB 4.18Å; V100-A111 HydrophobicContact CB-CB 4.38Å; V100-A111 HydrophobicContact CG2-CB 4.12Å; V100-T121 HydrophobicContact CG2-CG2 4.23Å; V100-L122 PolarHBondContact N-O 3.36Å; V100-L123 HydrophobicContact CB-CD1 3.94Å; V100-L123 HydrophobicContact CG1-CD1 3.8Å; V100-V124 PolarHBondContact O-N 3.17Å; V100-V250 WeakPolarHBondContact CA-O 3.19Å; V100-V250 HydrophobicContact CG1-CB 4.47Å; V100-V250 HydrophobicContact CG2-CB 4.24Å; V100-V250 HydrophobicContact CG2-CG2 4.34Å
101	V	96.8	Very high	87.6	Confident	10 Å²	10	42.3 Å²	42.3	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.5	-179	-177.7	0	0	0	0	109.6	I99 V214 I235 V249 V250 L251 T252	I99-V101 HydrophobicContact CG2-CG2 4.14Å; V101-V214 HydrophobicContact CB-CG2 4.41Å; V101-V214 HydrophobicContact CG1-CB 3.91Å; V101-V214 HydrophobicContact CG1-CG1 4.48Å; V101-V214 HydrophobicContact CG1-CG2 3.6Å; V101-V214 HydrophobicContact CG2-CG2 4Å; V101-I235 HydrophobicContact CG2-CG2 4.24Å; V101-V249 HydrophobicContact CG2-CG1 4.14Å; V101-V250 PolarHBondContact N-O 2.98Å; V101-L251 HydrophobicContact CB-CD2 3.67Å; V101-L251 HydrophobicContact CG1-CD2 4.11Å; V101-L251 HydrophobicContact CG2-CD2 3.78Å; V101-T252 CarbonylContact O-C 3.51Å; V101-T252 WeakPolarHBondContact O-CA 3.32Å; V101-T252 PolarHBondContact O-N 3.41Å; V101-T252 PolarHBondContact O-OG1 2.8Å
102	G	94.9	Very high	90.7	Very high	16 Å²	16	34.9 Å²	34.9	17%	0.165	17%	0.171	C	C	.	.			trans	106.3	125.3	179	0	0	0	0	0	113.1	G104 G107 V124 T252	G102-G104 VanDerWaalsContact C-N 3.29Å; G102-G104 PolarHBondContact O-N 2.85Å; G102-G107 WeakPolarHBondContact O-CA 3.23Å; G102-V124 PolarHBondContact N-O 2.81Å; G102-T252 PolarHBondContact O-OG1 2.85Å
103	G	94.8	Very high	93.4	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	14%	0.137	C	C	.	.			trans	-86.5	25.3	178.4	0	0	0	0	0	115.6	T108 T125 I131 G132	G103-T108 WeakPolarHBondContact O-CG2 3.38Å; G103-T125 PolarHBondContact N-OG1 3.32Å; G103-I131 WeakPolarHBondContact O-CA 3.4Å; G103-G132 PolarHBondContact O-N 3.01Å
104	G	94.8	Very high	95.7	Very high	19 Å²	19	20.5 Å²	20.5	20%	0.196	10%	0.101	C	C	.	.	S	Bend	trans	-81.9	179.4	177.6	0	0	0	0	0	112.8	G102 A106 G107 T108	G102-G104 VanDerWaalsContact C-N 3.29Å; G102-G104 PolarHBondContact O-N 2.85Å; G104-A106 VanDerWaalsContact C-N 3.26Å; G104-A106 PolarHBondContact O-N 3.13Å; G104-A106 VanDerWaalsContact O-N 3.09Å; G104-G107 WeakPolarHBondContact O-CA 3.21Å; G104-G107 PolarHBondContact O-N 3.18Å; G104-T108 WeakPolarHBondContact O-CG2 3.39Å; G104-T108 PolarHBondContact O-N 3.3Å; G104-T108 PolarHBondContact O-OG1 3.2Å
105	H	97.3	Very high	97	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.056	8%	0.078	C	C	.	.	H	α-helix	trans	-50	-39	-177.3	-56.9	86.5	0	0	0	115.1	T108 E109 A133 L134 Y476 A479	H105-T108 WeakPolarHBondContact CA-OG1 3.44Å; H105-T108 PolarHBondContact O-OG1 3.03Å; H105-E109 WeakPolarHBondContact O-CG 3.49Å; H105-E109 PolarHBondContact O-N 3.46Å; H105-A133 PolarHBondContact CE1-O 3.33Å; H105-L134 WeakPolarHBondContact NE2-CD2 3.48Å; H105-Y476 AromaticContact CE1-CD1 3.18Å; H105-Y476 WeakPolarHBondContact CE1-CD1 3.21Å; H105-Y476 AromaticContact CE1-CE1 3.63Å; H105-Y476 AromaticContact CE1-CG 3.71Å; H105-Y476 AromaticContact ND1-CD1 3.41Å; H105-Y476 WeakPolarHBondContact ND1-CD1 3.43Å; H105-Y476 AromaticContact NE2-CD1 3.66Å; H105-Y476 AromaticContact NE2-CG 3.67Å; H105-A479 HydrophobicContact CB-CB 4.24Å
106	A	97.9	Very high	97.4	Very high	5 Å²	5	9.4 Å²	9.4	4%	0.041	6%	0.055	C	C	.	.	H	α-helix	trans	-69.3	-45	174.4	0	0	0	0	0	111.7	G104 E109 A110 T252 A467 A479 G483	G104-A106 VanDerWaalsContact C-N 3.26Å; G104-A106 PolarHBondContact O-N 3.13Å; G104-A106 VanDerWaalsContact O-N 3.09Å; A106-E109 PolarHBondContact O-N 3.37Å; A106-A110 VanDerWaalsContact O-CB 3.25Å; A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 2.86Å; A106-T252 HydrophobicContact CB-CG2 3.7Å; A106-A467 HydrophobicContact CB-CB 4.17Å; A106-A479 VanDerWaalsContact CA-O 3.29Å; A106-A479 WeakPolarHBondContact CA-O 3.41Å; A106-A479 HydrophobicContact CB-CB 4.11Å; A106-A479 VanDerWaalsContact CB-O 3.23Å; A106-A479 WeakPolarHBondContact CB-O 3.24Å; A106-G483 WeakPolarHBondContact O-CA 3.45Å
107	G	97.6	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69	-35.9	-177.8	0	0	0	0	0	113.4	G102 G104 A110 A111 T252	G102-G107 WeakPolarHBondContact O-CA 3.23Å; G104-G107 WeakPolarHBondContact O-CA 3.21Å; G104-G107 PolarHBondContact O-N 3.18Å; G107-A110 PolarHBondContact O-N 3.14Å; G107-A111 VanDerWaalsContact O-CB 3.24Å; G107-A111 WeakPolarHBondContact O-CB 3.19Å; G107-A111 PolarHBondContact O-N 3.15Å; G107-T252 VanDerWaalsContact CA-OG1 3.27Å; G107-T252 WeakPolarHBondContact CA-OG1 3.34Å; G107-T252 PolarHBondContact N-OG1 2.9Å
108	T	97.9	Very high	97.3	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.012	6%	0.057	C	C	.	.	H	α-helix	trans	-62.9	-44.7	176.1	55.4	0	0	0	0	111.3	G103 G104 H105 A112 I131 I197 L201	G103-T108 WeakPolarHBondContact O-CG2 3.38Å; G104-T108 WeakPolarHBondContact O-CG2 3.39Å; G104-T108 PolarHBondContact O-N 3.3Å; G104-T108 PolarHBondContact O-OG1 3.2Å; H105-T108 WeakPolarHBondContact CA-OG1 3.44Å; H105-T108 PolarHBondContact O-OG1 3.03Å; T108-A112 WeakPolarHBondContact O-CB 3.24Å; T108-A112 PolarHBondContact O-N 3.23Å; T108-A112 VanDerWaalsContact O-N 3.17Å; T108-I131 HydrophobicContact CG2-CG2 3.71Å; T108-I197 HydrophobicContact CG2-CG2 3.71Å; T108-L201 HydrophobicContact CG2-CD1 3.67Å
109	E	98.4	Very high	97.3	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-71	-39.1	176.2	-66.5	-68.5	-178.8	0	0	112.4	H105 A106 A113 G157 L158 C159 A480 L484	H105-E109 WeakPolarHBondContact O-CG 3.49Å; H105-E109 PolarHBondContact O-N 3.46Å; A106-E109 PolarHBondContact O-N 3.37Å; E109-A113 WeakPolarHBondContact O-CB 3.43Å; E109-A113 PolarHBondContact O-N 3.46Å; E109-G157 WeakPolarHBondContact OE2-CA 3.26Å; E109-L158 VanDerWaalsContact CD-N 3.31Å; E109-L158 PolarHBondContact OE1-N 3.21Å; E109-L158 PolarHBondContact OE2-N 3.11Å; E109-C159 VanDerWaalsContact OE1-CB 3.3Å; E109-C159 WeakPolarHBondContact OE1-CB 3.44Å; E109-C159 PolarHBondContact OE1-N 2.86Å; E109-C159 PolarHBondContact OE1-SG 3.08Å; E109-A480 HydrophobicContact CG-CB 3.78Å; E109-L484 HydrophobicContact CB-CB 4.06Å
110	A	98.5	Very high	97.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.1	-46	178.4	0	0	0	0	0	111.8	V100 A106 G107 A113 A114 V250 G483 G487	V100-A110 HydrophobicContact CG1-CB 4.1Å; V100-A110 HydrophobicContact CG2-CB 4.18Å; A106-A110 VanDerWaalsContact O-CB 3.25Å; A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 2.86Å; G107-A110 PolarHBondContact O-N 3.14Å; A110-A113 PolarHBondContact O-N 3.16Å; A110-A114 VanDerWaalsContact O-CB 3.28Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.76Å; A110-V250 HydrophobicContact CB-CG1 4.18Å; A110-G483 WeakPolarHBondContact CA-O 3.5Å; A110-G483 WeakPolarHBondContact CB-O 3.4Å; A110-G487 WeakPolarHBondContact O-CA 3.22Å
111	A	98.4	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.1	-47.5	179.9	0	0	0	0	0	111.5	V100 G107 A113 A114 A115 T121 L123 L207	V100-A111 HydrophobicContact CB-CB 4.38Å; V100-A111 HydrophobicContact CG2-CB 4.12Å; G107-A111 VanDerWaalsContact O-CB 3.24Å; G107-A111 WeakPolarHBondContact O-CB 3.19Å; G107-A111 PolarHBondContact O-N 3.15Å; A111-A113 PolarHBondContact O-N 3.2Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 3Å; A111-A115 VanDerWaalsContact O-N 3.09Å; A111-T121 HydrophobicContact CB-CG2 4.4Å; A111-L123 HydrophobicContact CB-CB 4.17Å; A111-L123 HydrophobicContact CB-CD1 4.4Å; A111-L123 HydrophobicContact CB-CD2 4.36Å; A111-L207 HydrophobicContact CB-CD1 3.86Å; A111-L207 HydrophobicContact CB-CD2 4.06Å
112	A	98.1	Very high	97.3	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.017	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-38.6	177.9	0	0	0	0	0	112.3	T108 R116 L158 L201	T108-A112 WeakPolarHBondContact O-CB 3.24Å; T108-A112 PolarHBondContact O-N 3.23Å; T108-A112 VanDerWaalsContact O-N 3.17Å; A112-R116 WeakPolarHBondContact O-CB 3.18Å; A112-R116 VanDerWaalsContact O-CG 3.25Å; A112-R116 WeakPolarHBondContact O-CG 3.34Å; A112-R116 PolarHBondContact O-N 2.98Å; A112-R116 VanDerWaalsContact O-N 3.16Å; A112-R116 PolarHBondContact O-NE 2.75Å; A112-L158 HydrophobicContact CB-CD1 3.79Å; A112-L158 HydrophobicContact CB-CD2 4.37Å; A112-L158 HydrophobicContact CB-CG 4Å; A112-L201 HydrophobicContact CB-CD2 4.12Å
113	A	97.9	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.2	-43.9	177.8	0	0	0	0	0	112.1	E109 A110 A111 R116 V117 L484 V488	E109-A113 WeakPolarHBondContact O-CB 3.43Å; E109-A113 PolarHBondContact O-N 3.46Å; A110-A113 PolarHBondContact O-N 3.16Å; A111-A113 PolarHBondContact O-N 3.2Å; A113-R116 PolarHBondContact O-N 3.35Å; A113-V117 WeakPolarHBondContact O-CG2 3.28Å; A113-V117 PolarHBondContact O-N 3.37Å; A113-L484 HydrophobicContact CB-CG 4.27Å; A113-V488 HydrophobicContact CB-CG2 3.97Å
114	A	98.2	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-45.2	179	0	0	0	0	0	112.1	V98 A110 A111 R116 V117 G118 A119 T121 A491	V98-A114 HydrophobicContact CB-CB 4.26Å; V98-A114 HydrophobicContact CG1-CB 4.16Å; V98-A114 HydrophobicContact CG2-CB 4.28Å; A110-A114 VanDerWaalsContact O-CB 3.28Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.76Å; A111-A114 PolarHBondContact O-N 3.44Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 3.39Å; A114-V117 PolarHBondContact O-N 3.41Å; A114-G118 PolarHBondContact O-N 3.22Å; A114-A119 WeakPolarHBondContact O-CB 3.29Å; A114-A119 PolarHBondContact O-N 3.25Å; A114-A119 VanDerWaalsContact O-N 3.16Å; A114-T121 HydrophobicContact CB-CG2 4.13Å; A114-A491 HydrophobicContact CB-CB 3.97Å
115	A	97.8	Very high	97.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-63.8	-38.2	177.3	0	0	0	0	0	112.7	A111 G118 T121 T204 R206 L207	A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 3Å; A111-A115 VanDerWaalsContact O-N 3.09Å; A115-G118 PolarHBondContact O-N 3.43Å; A115-G118 VanDerWaalsContact O-N 3.17Å; A115-T121 PolarHBondContact N-OG1 3.36Å; A115-T204 HydrophobicContact CB-CG2 3.8Å; A115-R206 PolarHBondContact O-NE 3.15Å; A115-L207 HydrophobicContact CB-CB 4.11Å
116	R	96	Very high	97.2	Very high	55 Å²	55	12.6 Å²	12.6	21%	0.208	7%	0.067	C	C	.	.	H	α-helix	trans	-65.2	-42.2	176	-81.6	-178.5	-70.4	150	-13.7	112.9	A112 A113 A114 G118 L155 D156 G555 C556	A112-R116 WeakPolarHBondContact O-CB 3.18Å; A112-R116 VanDerWaalsContact O-CG 3.25Å; A112-R116 WeakPolarHBondContact O-CG 3.34Å; A112-R116 PolarHBondContact O-N 2.98Å; A112-R116 VanDerWaalsContact O-N 3.16Å; A112-R116 PolarHBondContact O-NE 2.75Å; A113-R116 PolarHBondContact O-N 3.35Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 3.39Å; R116-G118 PolarHBondContact O-N 3.3Å; R116-L155 PolarHBondContact NH1-O 3.07Å; R116-D156 PolarHBondContact NH1-O 2.94Å; R116-D156 PolarHBondContact NH2-O 3.22Å; R116-G555 CarbonylContact C-O 3.55Å; R116-C556 PolarHBondContact NH1-O 2.88Å
117	V	97.1	Very high	96.9	Very high	19 Å²	19	15.8 Å²	15.8	12%	0.115	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-23.9	174.1	172.1	0	0	0	0	111.8	A113 A114 V488 A491 R492 L495 G555 C556	A113-V117 WeakPolarHBondContact O-CG2 3.28Å; A113-V117 PolarHBondContact O-N 3.37Å; A114-V117 PolarHBondContact O-N 3.41Å; V117-V488 HydrophobicContact CG2-CG1 4.37Å; V117-V488 HydrophobicContact CG2-CG2 4.34Å; V117-A491 HydrophobicContact CB-CB 3.86Å; V117-A491 HydrophobicContact CG1-CB 3.78Å; V117-R492 HydrophobicContact CG1-CG 4.11Å; V117-L495 HydrophobicContact CG1-CD1 4.17Å; V117-G555 WeakPolarHBondContact CA-O 3.29Å; V117-C556 HydrophobicContact CG2-CB 3.95Å
118	G	96.3	Very high	96.7	Very high	26 Å²	26	18.3 Å²	18.3	27%	0.268	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	119.3	6.2	172.5	0	0	0	0	0	114.7	A114 A115 R116	A114-G118 PolarHBondContact O-N 3.22Å; A115-G118 PolarHBondContact O-N 3.43Å; A115-G118 VanDerWaalsContact O-N 3.17Å; R116-G118 PolarHBondContact O-N 3.3Å
119	A	97.4	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.			trans	-80.4	139.2	-179.7	0	0	0	0	0	112.1	D97 V98 A114 T121 A491	D97-A119 HydrophobicContact CB-CB 3.8Å; V98-A119 HydrophobicContact CG2-CB 3.95Å; A114-A119 WeakPolarHBondContact O-CB 3.29Å; A114-A119 PolarHBondContact O-N 3.25Å; A114-A119 VanDerWaalsContact O-N 3.16Å; A119-T121 PolarHBondContact O-N 3.32Å; A119-T121 VanDerWaalsContact O-N 3.15Å; A119-T121 PolarHBondContact O-OG1 3.39Å; A119-A491 HydrophobicContact CB-CB 3.69Å
120	E	98.1	Very high	96.2	Very high	92 Å²	92	26.6 Å²	26.6	43%	0.43	13%	0.134	S	C	.	.			trans	-68.9	108.6	168.4	-68.5	-61.1	150	0	0	109.4	D97 V98 R206	D97-E120 PolarHBondContact N-O 3.14Å; D97-E120 PolarHBondContact OD2-N 2.95Å; V98-E120 PolarHBondContact N-O 3.22Å; E120-R206 WeakPolarHBondContact OE1-CG 3.45Å
121	T	98.3	Very high	96.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.1	-165.5	-55.3	0	0	0	0	111.7	V98 V100 A111 A114 A115 A119 R206 L207 K208	V98-T121 HydrophobicContact CB-CG2 4.34Å; V98-T121 HydrophobicContact CG1-CG2 4.49Å; V98-T121 VanDerWaalsContact O-CA 3.31Å; V98-T121 WeakPolarHBondContact O-CA 3.19Å; V100-T121 HydrophobicContact CG2-CG2 4.23Å; A111-T121 HydrophobicContact CB-CG2 4.4Å; A114-T121 HydrophobicContact CB-CG2 4.13Å; A115-T121 PolarHBondContact N-OG1 3.36Å; A119-T121 PolarHBondContact O-N 3.32Å; A119-T121 VanDerWaalsContact O-N 3.15Å; A119-T121 PolarHBondContact O-OG1 3.39Å; T121-R206 PolarHBondContact N-O 3.48Å; T121-L207 HydrophobicContact CG2-CD1 3.81Å; T121-L207 WeakPolarHBondContact O-CA 3.4Å; T121-K208 PolarHBondContact O-N 2.89Å
122	L	98	Very high	95.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.6	171.5	177.2	72.5	0	0	0	110.1	Y96 V98 I99 V100 V124 K208 L210 I244	Y96-L122 HydrophobicContact CD1-CB 3.77Å; Y96-L122 HydrophobicContact CD2-CB 3.86Å; Y96-L122 HydrophobicContact CD2-CD2 3.9Å; Y96-L122 HydrophobicContact CD2-CG 4.42Å; Y96-L122 HydrophobicContact CE1-CB 3.94Å; Y96-L122 HydrophobicContact CE1-CD1 4.49Å; Y96-L122 HydrophobicContact CE2-CB 4.02Å; Y96-L122 HydrophobicContact CE2-CD1 4.27Å; Y96-L122 HydrophobicContact CE2-CD2 3.74Å; Y96-L122 HydrophobicContact CE2-CG 4.23Å; Y96-L122 HydrophobicContact CG-CB 3.73Å; V98-L122 PolarHBondContact O-N 3.26Å; I99-L122 CarbonylContact C-O 3.55Å; I99-L122 WeakPolarHBondContact CA-O 3.35Å; I99-L122 HydrophobicContact CD1-CD2 4.44Å; I99-L122 HydrophobicContact CG1-CB 4.16Å; I99-L122 HydrophobicContact CG1-CD2 4.24Å; V100-L122 PolarHBondContact N-O 3.36Å; L122-V124 HydrophobicContact CD2-CG2 3.76Å; L122-V124 HydrophobicContact CG-CG2 3.88Å; L122-K208 CarbonylContact C-O 3.56Å; L122-K208 WeakPolarHBondContact CA-O 3.37Å; L122-K208 HydrophobicContact CD1-CB 4.09Å; L122-K208 HydrophobicContact CD1-CD 4.44Å; L122-K208 HydrophobicContact CD1-CG 4.29Å; L122-L210 HydrophobicContact CD1-CB 3.85Å; L122-I244 HydrophobicContact CD2-CD1 4.07Å; L122-I244 HydrophobicContact CD2-CG2 3.92Å
123	L	98	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.8	168.9	175.3	62.6	0	0	0	109.7	V100 A111 I131 L201 L207 K208 V209 L210	V100-L123 HydrophobicContact CB-CD1 3.94Å; V100-L123 HydrophobicContact CG1-CD1 3.8Å; A111-L123 HydrophobicContact CB-CB 4.17Å; A111-L123 HydrophobicContact CB-CD1 4.4Å; A111-L123 HydrophobicContact CB-CD2 4.36Å; L123-I131 HydrophobicContact CD2-CD1 4.4Å; L123-L201 HydrophobicContact CD2-CD1 4.2Å; L123-L207 HydrophobicContact CB-CD1 4.04Å; L123-K208 PolarHBondContact N-O 3.44Å; L123-V209 HydrophobicContact CB-CG2 4.47Å; L123-V209 HydrophobicContact CD2-CG2 4.39Å; L123-V209 WeakPolarHBondContact O-CA 3.49Å; L123-L210 PolarHBondContact O-N 2.63Å
124	V	96	Very high	95.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127	174.6	-175.7	0	0	0	0	109.8	I99 V100 G102 L122 L210 G212 V214 I235 L237	I99-V124 HydrophobicContact CG2-CG2 4.37Å; V100-V124 PolarHBondContact O-N 3.17Å; G102-V124 PolarHBondContact N-O 2.81Å; L122-V124 HydrophobicContact CD2-CG2 3.76Å; L122-V124 HydrophobicContact CG-CG2 3.88Å; V124-L210 WeakPolarHBondContact CA-O 3.39Å; V124-L210 HydrophobicContact CG2-CB 4.48Å; V124-L210 HydrophobicContact CG2-CD2 4.47Å; V124-G212 WeakPolarHBondContact CG1-O 3.44Å; V124-V214 HydrophobicContact CB-CG2 4.19Å; V124-V214 HydrophobicContact CG1-CG2 3.72Å; V124-I235 HydrophobicContact CB-CD1 4.49Å; V124-I235 HydrophobicContact CG2-CD1 3.81Å; V124-L237 HydrophobicContact CG1-CD2 3.8Å
125	T	94.1	Very high	94.9	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.4	177.7	-171.8	0	0	0	0	110.8	G103 K127 I128 I131 L210 E211 G212	G103-T125 PolarHBondContact N-OG1 3.32Å; T125-K127 VanDerWaalsContact C-N 3.32Å; T125-K127 PolarHBondContact O-N 3.4Å; T125-I128 HydrophobicContact CG2-CG1 4.19Å; T125-I131 HydrophobicContact CG2-CD1 3.82Å; T125-I131 HydrophobicContact CG2-CG1 3.8Å; T125-L210 PolarHBondContact N-O 3.15Å; T125-E211 CarbonylContact O-C 3.53Å; T125-E211 VanDerWaalsContact O-CA 3.28Å; T125-E211 WeakPolarHBondContact O-CA 3.4Å; T125-G212 CarbonylContact C-O 3.2Å; T125-G212 VanDerWaalsContact C-O 3.27Å; T125-G212 PolarHBondContact O-N 3.38Å
126	Q	90.6	Very high	94.5	Very high	49 Å²	49	31.8 Å²	31.8	23%	0.229	17%	0.17	C	C	.	.	S	Bend	trans	-63.5	-37.5	-180	-68.2	-178.5	-4.3	0	0	113.1	E211 G212	Q126-E211 WeakPolarHBondContact O-CG 3.45Å; Q126-G212 PolarHBondContact N-O 2.84Å
127	K	91.7	Very high	94.4	Very high	71 Å²	71	30 Å²	30	31%	0.309	16%	0.164	S	C	.	.			trans	-141.3	121.7	178.5	-65.6	177	-173.6	165.2	0	109.6	T125 Q129 T130 E211 D275	T125-K127 VanDerWaalsContact C-N 3.32Å; T125-K127 PolarHBondContact O-N 3.4Å; K127-Q129 VanDerWaalsContact C-N 3.25Å; K127-Q129 PolarHBondContact O-N 3.22Å; K127-T130 HydrophobicContact CB-CG2 3.82Å; K127-T130 HydrophobicContact CD-CG2 4.02Å; K127-T130 PolarHBondContact O-N 3.2Å; K127-T130 VanDerWaalsContact O-N 3.17Å; K127-T130 PolarHBondContact O-OG1 3.49Å; K127-E211 WeakPolarHBondContact CA-OE2 3.5Å; K127-D275 IonicContact NZ-OD1 3.44Å; K127-D275 PolarHBondContact NZ-OD1 2.82Å
128	I	93.9	Very high	94.2	Very high	53 Å²	53	29.1 Å²	29.1	27%	0.272	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-61.7	-38.8	178.6	-66.9	174.1	0	0	0	110.5	T125 T130 I131 Q198 V209 E211	T125-I128 HydrophobicContact CG2-CG1 4.19Å; I128-T130 PolarHBondContact O-N 3.34Å; I128-I131 HydrophobicContact CB-CD1 4.37Å; I128-I131 HydrophobicContact CG2-CD1 4.04Å; I128-I131 WeakPolarHBondContact O-CB 3.45Å; I128-I131 WeakPolarHBondContact O-CG1 3.39Å; I128-I131 PolarHBondContact O-N 2.92Å; I128-Q198 PolarHBondContact O-NE2 3.18Å; I128-V209 HydrophobicContact CD1-CG1 4.23Å; I128-V209 HydrophobicContact CG1-CG1 4Å; I128-E211 HydrophobicContact CD1-CB 3.99Å; I128-E211 HydrophobicContact CG1-CB 3.99Å; I128-E211 HydrophobicContact CG1-CG 4.4Å; I128-E211 PolarHBondContact N-OE2 3.34Å
129	Q	93.8	Very high	94.2	Very high	143 Å²	143	28.3 Å²	28.3	67%	0.668	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-61	-17.7	179.7	-62.2	165.3	4.9	0	0	113.8	K127 R194 Q198	K127-Q129 VanDerWaalsContact C-N 3.25Å; K127-Q129 PolarHBondContact O-N 3.22Å; Q129-R194 VanDerWaalsContact O-CD 3.31Å; Q129-R194 WeakPolarHBondContact O-CD 3.47Å; Q129-Q198 PolarHBondContact O-NE2 3.45Å
130	T	92.8	Very high	94.1	Very high	35 Å²	35	28.4 Å²	28.4	22%	0.215	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-99.2	-1.9	-179.1	67.4	0	0	0	0	113.6	K127 I128 G132 A133	K127-T130 HydrophobicContact CB-CG2 3.82Å; K127-T130 HydrophobicContact CD-CG2 4.02Å; K127-T130 PolarHBondContact O-N 3.2Å; K127-T130 VanDerWaalsContact O-N 3.17Å; K127-T130 PolarHBondContact O-OG1 3.49Å; I128-T130 PolarHBondContact O-N 3.34Å; T130-G132 PolarHBondContact O-N 3.47Å; T130-A133 WeakPolarHBondContact O-CB 3.4Å; T130-A133 PolarHBondContact O-N 3.46Å
131	I	95.5	Very high	94	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	127.8	175.8	-65	172.3	0	0	0	109	G103 T108 L123 T125 I128 A133 R194 I197 Q198 L201 V209	G103-I131 WeakPolarHBondContact O-CA 3.4Å; T108-I131 HydrophobicContact CG2-CG2 3.71Å; L123-I131 HydrophobicContact CD2-CD1 4.4Å; T125-I131 HydrophobicContact CG2-CD1 3.82Å; T125-I131 HydrophobicContact CG2-CG1 3.8Å; I128-I131 HydrophobicContact CB-CD1 4.37Å; I128-I131 HydrophobicContact CG2-CD1 4.04Å; I128-I131 WeakPolarHBondContact O-CB 3.45Å; I128-I131 WeakPolarHBondContact O-CG1 3.39Å; I128-I131 PolarHBondContact O-N 2.92Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.95Å; I131-R194 VanDerWaalsContact O-CG 3.3Å; I131-R194 WeakPolarHBondContact O-CG 3.35Å; I131-I197 HydrophobicContact CG2-CG2 4.06Å; I131-Q198 HydrophobicContact CB-CG 3.98Å; I131-Q198 HydrophobicContact CG2-CG 4.27Å; I131-Q198 PolarHBondContact O-NE2 3.08Å; I131-Q198 VanDerWaalsContact O-NE2 3.11Å; I131-L201 HydrophobicContact CG2-CD1 3.54Å; I131-V209 HydrophobicContact CD1-CG1 3.8Å
132	G	92.2	Very high	93.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.6	-177.9	0	0	0	0	0	115	G103 T130 L134 Y193	G103-G132 PolarHBondContact O-N 3.01Å; T130-G132 PolarHBondContact O-N 3.47Å; G132-L134 PolarHBondContact O-N 3.41Å; G132-Y193 VanDerWaalsContact O-CD1 3.3Å; G132-Y193 WeakPolarHBondContact O-CD1 3.45Å
133	A	93.5	Very high	93.3	Very high	22 Å²	22	27.4 Å²	27.4	18%	0.182	15%	0.152	C	C	.	.			trans	-68.2	125.3	178.8	0	0	0	0	0	112.9	H105 T130 I131 S135	H105-A133 PolarHBondContact CE1-O 3.33Å; T130-A133 WeakPolarHBondContact O-CB 3.4Å; T130-A133 PolarHBondContact O-N 3.46Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.95Å; A133-S135 PolarHBondContact O-N 2.75Å
134	L	93.8	Very high	92.9	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	15%	0.154	C	C	.	.			trans	-77.3	111.6	167.4	-59.2	173.2	0	0	0	108.6	H105 G132 L188 R190 Y193 Y476	H105-L134 WeakPolarHBondContact NE2-CD2 3.48Å; G132-L134 PolarHBondContact O-N 3.41Å; L134-L188 HydrophobicContact CD1-CB 4Å; L134-L188 HydrophobicContact CD1-CD1 3.88Å; L134-R190 VanDerWaalsContact C-NH1 3.31Å; L134-R190 HydrophobicContact CB-CG 4.35Å; L134-R190 HydrophobicContact CD1-CG 4.3Å; L134-R190 PolarHBondContact O-NH1 3.22Å; L134-Y193 HydrophobicContact CD1-CD1 4.26Å; L134-Y193 HydrophobicContact CD1-CG 4.27Å; L134-Y193 HydrophobicContact CD2-CD1 4.1Å; L134-Y193 HydrophobicContact CD2-CE1 4.01Å; L134-Y193 HydrophobicContact CG-CD1 3.98Å; L134-Y193 HydrophobicContact CG-CE1 4.38Å; L134-Y193 HydrophobicContact CG-CG 4.48Å; L134-Y476 HydrophobicContact CD2-CD2 3.74Å; L134-Y476 HydrophobicContact CD2-CE2 3.65Å; L134-Y476 HydrophobicContact CD2-CG 4.29Å
135	S	88.7	Confident	92.9	Very high	32 Å²	32	29.2 Å²	29.2	22%	0.224	16%	0.161	C	C	.	.			trans	-95.4	-14.2	-174.6	-40.9	0	0	0	0	115.1	A133 R272 R304 Y476	A133-S135 PolarHBondContact O-N 2.75Å; S135-R272 PolarHBondContact OG-NE 3.38Å; S135-R272 PolarHBondContact OG-NH1 3.1Å; S135-R272 PolarHBondContact OG-NH2 3.31Å; S135-R272 VanDerWaalsContact OG-NH2 3.08Å; S135-R304 PolarHBondContact O-NH2 3.1Å; S135-Y476 PolarHBondContact N-OH 3.49Å
136	C	89.6	Confident	92.9	Very high	43 Å²	43	28.8 Å²	28.8	29%	0.291	16%	0.158	S	C	.	.	S	Bend	trans	-127.5	-122.4	-172.7	-162.7	0	0	0	0	107.7	R190 Y407 Y476	C136-R190 VanDerWaalsContact O-CZ 3.27Å; C136-R190 PolarHBondContact O-NH1 3.42Å; C136-R190 PolarHBondContact O-NH2 2.95Å; C136-Y407 WeakPolarHBondContact O-CE2 3.34Å; C136-Y407 PolarHBondContact SG-OH 3.12Å; C136-Y476 VanDerWaalsContact C-OH 3.27Å; C136-Y476 WeakPolarHBondContact CA-OH 3.38Å; C136-Y476 WeakPolarHBondContact CB-OH 3.39Å; C136-Y476 PolarHBondContact N-OH 2.68Å
137	N	92.4	Very high	93.2	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	15%	0.148	C	C	.	.			trans	-61.3	136.5	-177.3	-146.8	56.6	0	0	0	112	S139 R185 E397 Y407 Q409 Y476	N137-S139 VanDerWaalsContact ND2-CB 3.27Å; N137-S139 WeakPolarHBondContact ND2-CB 3.48Å; N137-S139 PolarHBondContact ND2-OG 2.92Å; N137-S139 PolarHBondContact O-N 2.86Å; N137-R185 PolarHBondContact ND2-NH2 3.27Å; N137-E397 PolarHBondContact ND2-OE2 3.25Å; N137-E397 PolarHBondContact OD1-OE2 3.06Å; N137-Y407 HydrophobicContact CB-CE1 4.31Å; N137-Y407 PolarHBondContact N-OH 3.16Å; N137-Y407 WeakPolarHBondContact OD1-CD1 3.28Å; N137-Y407 WeakPolarHBondContact OD1-CE1 3.41Å; N137-Q409 PolarHBondContact ND2-NE2 3.32Å; N137-Q409 PolarHBondContact OD1-NE2 3.04Å; N137-Y476 PolarHBondContact N-OH 3.22Å; N137-Y476 VanDerWaalsContact O-CE2 3.28Å; N137-Y476 WeakPolarHBondContact O-CE2 3.28Å; N137-Y476 PolarHBondContact O-OH 2.97Å
138	P	94.4	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-78.5	41.2	173	35.5	-36.4	0	0	0	111.3	Q187 L188 R190 E397 E399 Y407	P138-Q187 CarbonylContact O-C 3.44Å; P138-Q187 WeakPolarHBondContact O-CA 3.37Å; P138-Q187 PolarHBondContact O-OE1 2.97Å; P138-L188 PolarHBondContact O-N 2.84Å; P138-R190 HydrophobicContact CB-CG 4.28Å; P138-E397 HydrophobicContact CG-CB 4.34Å; P138-E399 HydrophobicContact CG-CG 4.34Å; P138-Y407 HydrophobicContact CG-CG 4.27Å
139	S	95	Very high	93.6	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.8	-177.9	81.7	0	0	0	0	112.4	N137 R185 A186	N137-S139 VanDerWaalsContact ND2-CB 3.27Å; N137-S139 WeakPolarHBondContact ND2-CB 3.48Å; N137-S139 PolarHBondContact ND2-OG 2.92Å; N137-S139 PolarHBondContact O-N 2.86Å; S139-R185 PolarHBondContact OG-NH2 3.38Å; S139-A186 CarbonylContact C-O 3.44Å; S139-A186 WeakPolarHBondContact CA-O 3.31Å; S139-A186 VanDerWaalsContact CB-O 3.28Å; S139-A186 WeakPolarHBondContact CB-O 3.48Å
140	L	96.1	Very high	93.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141	170.8	-171.1	72.4	0	0	0	110	V149 C159 R185 A186 L188 F327 E477	L140-V149 HydrophobicContact CD1-CG2 3.97Å; L140-V149 HydrophobicContact CD2-CG1 3.89Å; L140-V149 HydrophobicContact CD2-CG2 4.16Å; L140-V149 HydrophobicContact CG-CG1 4.39Å; L140-V149 HydrophobicContact CG-CG2 3.77Å; L140-C159 VanDerWaalsContact CD2-O 3.31Å; L140-C159 WeakPolarHBondContact CD2-O 3.37Å; L140-R185 WeakPolarHBondContact O-CA 3.44Å; L140-A186 PolarHBondContact N-O 2.96Å; L140-A186 PolarHBondContact O-N 3.03Å; L140-L188 HydrophobicContact CB-CD1 3.66Å; L140-L188 HydrophobicContact CB-CD2 4.39Å; L140-L188 HydrophobicContact CB-CG 4.16Å; L140-F327 HydrophobicContact CD2-CD2 4.46Å; L140-F327 HydrophobicContact CD2-CE2 4.34Å; L140-F327 WeakPolarHBondContact O-CZ 3.38Å; L140-E477 HydrophobicContact CD1-CB 4.39Å
141	G	94.8	Very high	94	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88	-154.9	178	0	0	0	0	0	114.2	K145 L184 E477	G141-K145 VanDerWaalsContact C-CB 3.42Å; G141-K145 VanDerWaalsContact O-CB 3.28Å; G141-K145 WeakPolarHBondContact O-CB 3.29Å; G141-K145 WeakPolarHBondContact O-CD 3.41Å; G141-L184 CarbonylContact C-O 3.55Å; G141-L184 WeakPolarHBondContact CA-O 3.5Å; G141-E477 PolarHBondContact N-OE1 2.75Å
142	G	92.9	Very high	94.1	Very high	6 Å²	6	13 Å²	13	6%	0.062	8%	0.081	C	C	.	.			trans	110.6	-168	-167.8	0	0	0	0	0	112.4	G144 K145 G146 G183 L184	G142-G144 PolarHBondContact O-N 2.78Å; G142-K145 PolarHBondContact O-N 3.42Å; G142-G146 PolarHBondContact O-N 2.84Å; G142-G183 WeakPolarHBondContact O-CA 3.42Å; G142-L184 PolarHBondContact N-O 2.75Å
143	V	89.9	Confident	94.4	Very high	63 Å²	63	13 Å²	13	38%	0.382	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	127.1	-178.3	-176.9	0	0	0	0	110.3	K145 L173	V143-K145 PolarHBondContact O-N 3.34Å; V143-L173 HydrophobicContact CG2-CB 4.4Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å
144	G	89.9	Confident	94.6	Very high	4 Å²	4	12 Å²	12	4%	0.041	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	-46.1	-172.2	0	0	0	0	0	113.6	G142 G146 H147 L148	G142-G144 PolarHBondContact O-N 2.78Å; G144-G146 PolarHBondContact O-N 2.81Å; G144-H147 WeakPolarHBondContact O-CB 3.27Å; G144-H147 PolarHBondContact O-N 2.77Å; G144-H147 VanDerWaalsContact O-N 3.13Å; G144-L148 PolarHBondContact O-N 2.72Å
145	K	94.6	Very high	94.8	Very high	36 Å²	36	11.6 Å²	11.6	16%	0.157	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-47.3	176.9	-75.1	179.5	173.1	-74.6	0	113.2	G141 G142 V143 H147 L148 V149 E477 E478	G141-K145 VanDerWaalsContact C-CB 3.42Å; G141-K145 VanDerWaalsContact O-CB 3.28Å; G141-K145 WeakPolarHBondContact O-CB 3.29Å; G141-K145 WeakPolarHBondContact O-CD 3.41Å; G142-K145 PolarHBondContact O-N 3.42Å; V143-K145 PolarHBondContact O-N 3.34Å; K145-H147 PolarHBondContact O-N 3.02Å; K145-L148 WeakPolarHBondContact O-CB 3.36Å; K145-L148 PolarHBondContact O-N 3.15Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-V149 WeakPolarHBondContact O-CG2 3.47Å; K145-V149 PolarHBondContact O-N 3.34Å; K145-E477 HydrophobicContact CB-CG 3.47Å; K145-E477 VanDerWaalsContact CB-CG 3.47Å; K145-E477 HydrophobicContact CD-CG 4.25Å; K145-E477 HydrophobicContact CG-CG 3.69Å; K145-E477 IonicContact NZ-OE2 2.79Å; K145-E477 PolarHBondContact NZ-OE2 2.77Å; K145-E478 IonicContact NZ-OE1 2.98Å; K145-E478 PolarHBondContact NZ-OE1 2.92Å; K145-E478 IonicContact NZ-OE2 3.89Å; K145-E478 PolarHBondContact NZ-OE2 3.03Å
146	G	95.2	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-24.8	177.2	0	0	0	0	0	113.5	G142 G144 R150 L184	G142-G146 PolarHBondContact O-N 2.84Å; G144-G146 PolarHBondContact O-N 2.81Å; G146-R150 WeakPolarHBondContact O-CG 3.26Å; G146-R150 PolarHBondContact O-N 3.13Å; G146-L184 WeakPolarHBondContact CA-O 3.48Å
147	H	95.4	Very high	95.5	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-70.7	-46	172.9	-61.8	53.6	0	0	0	110	G144 K145 V149 R150 E151 W182 Y508 L538	G144-H147 WeakPolarHBondContact O-CB 3.27Å; G144-H147 PolarHBondContact O-N 2.77Å; G144-H147 VanDerWaalsContact O-N 3.13Å; K145-H147 PolarHBondContact O-N 3.02Å; H147-V149 VanDerWaalsContact C-N 3.33Å; H147-V149 PolarHBondContact O-N 3.01Å; H147-R150 PolarHBondContact O-N 3.02Å; H147-E151 WeakPolarHBondContact O-CG 3.36Å; H147-E151 PolarHBondContact O-N 3.33Å; H147-W182 PolarHBondContact CE1-O 2.83Å; H147-Y508 HydrophobicContact CB-CD1 4.12Å; H147-Y508 HydrophobicContact CB-CD2 3.92Å; H147-Y508 HydrophobicContact CB-CE1 4.47Å; H147-Y508 HydrophobicContact CB-CE2 4.26Å; H147-Y508 HydrophobicContact CB-CG 3.86Å; H147-Y508 AromaticContact CD2-CD2 3.83Å; H147-Y508 AromaticContact CD2-CE2 3.34Å; H147-Y508 WeakPolarHBondContact CD2-CE2 3.21Å; H147-Y508 AromaticContact CD2-CZ 3.62Å; H147-L538 PolarHBondContact CD2-O 3.42Å; H147-L538 VanDerWaalsContact CD2-O 3.31Å
148	L	96.9	Very high	95.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.1	-43.2	175.1	-70.2	-177.6	0	0	0	112.1	G144 K145 R150 E151 V152 E477 E478 A481 I509 L512 M527	G144-L148 PolarHBondContact O-N 2.72Å; K145-L148 WeakPolarHBondContact O-CB 3.36Å; K145-L148 PolarHBondContact O-N 3.15Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 2.79Å; L148-E151 PolarHBondContact O-N 3.33Å; L148-V152 WeakPolarHBondContact O-CB 3.39Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 2.99Å; L148-E477 HydrophobicContact CB-CB 4.34Å; L148-E478 HydrophobicContact CD1-CB 4.41Å; L148-E478 HydrophobicContact CD1-CG 3.93Å; L148-A481 HydrophobicContact CD1-CB 4.33Å; L148-A481 HydrophobicContact CD2-CB 4.06Å; L148-I509 HydrophobicContact CD2-CG1 3.85Å; L148-L512 HydrophobicContact CD1-CD2 4.14Å; L148-L512 HydrophobicContact CD2-CD2 4.46Å; L148-M527 HydrophobicContact CD1-CG 3.34Å; L148-M527 HydrophobicContact CD1-SD 3.98Å; L148-M527 HydrophobicContact CD2-CE 4.35Å; L148-M527 HydrophobicContact CG-CE 4.49Å; L148-M527 HydrophobicContact CG-CG 4.03Å
149	V	97.6	Very high	95.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.9	-45.2	178.4	179.1	0	0	0	0	111.1	L140 K145 H147 V152 D153 F327 E477	L140-V149 HydrophobicContact CD1-CG2 3.97Å; L140-V149 HydrophobicContact CD2-CG1 3.89Å; L140-V149 HydrophobicContact CD2-CG2 4.16Å; L140-V149 HydrophobicContact CG-CG1 4.39Å; L140-V149 HydrophobicContact CG-CG2 3.77Å; K145-V149 WeakPolarHBondContact O-CG2 3.47Å; K145-V149 PolarHBondContact O-N 3.34Å; H147-V149 VanDerWaalsContact C-N 3.33Å; H147-V149 PolarHBondContact O-N 3.01Å; V149-V152 PolarHBondContact O-N 3.45Å; V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.39Å; V149-F327 HydrophobicContact CB-CD1 4Å; V149-F327 HydrophobicContact CB-CE1 4.3Å; V149-F327 HydrophobicContact CG1-CB 3.88Å; V149-F327 HydrophobicContact CG1-CD1 3.52Å; V149-F327 HydrophobicContact CG1-CE1 4.12Å; V149-F327 HydrophobicContact CG1-CG 3.74Å; V149-E477 HydrophobicContact CG2-CB 3.58Å; V149-E477 HydrophobicContact CG2-CG 3.96Å
150	R	97.3	Very high	95.9	Very high	20 Å²	20	7.4 Å²	7.4	8%	0.075	4%	0.042	C	C	.	.	H	α-helix	trans	-63.9	-38.2	176.5	-79.4	-80.5	-171.9	-174.2	18.7	112.7	G146 H147 L148 D153 A154 L184 P326 F327 S328 F329 P540 A543	G146-R150 WeakPolarHBondContact O-CG 3.26Å; G146-R150 PolarHBondContact O-N 3.13Å; H147-R150 PolarHBondContact O-N 3.02Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 2.79Å; R150-D153 PolarHBondContact O-N 3.05Å; R150-A154 WeakPolarHBondContact O-CB 3.47Å; R150-A154 PolarHBondContact O-N 3.03Å; R150-L184 HydrophobicContact CG-CD1 3.84Å; R150-P326 PolarHBondContact NH1-O 3.15Å; R150-P326 PolarHBondContact NH2-O 2.73Å; R150-F327 WeakPolarHBondContact CD-O 3.48Å; R150-F327 VanDerWaalsContact CZ-O 3.24Å; R150-F327 PolarHBondContact NE-O 3.2Å; R150-F327 PolarHBondContact NH1-O 2.83Å; R150-S328 PolarHBondContact NH1-O 3.33Å; R150-F329 HydrophobicContact CB-CE2 4.34Å; R150-P540 HydrophobicContact CB-CB 4.46Å; R150-P540 WeakPolarHBondContact CD-O 3.34Å; R150-P540 HydrophobicContact CG-CB 4.04Å; R150-A543 HydrophobicContact CB-CB 4.1Å
151	E	97.9	Very high	95.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-72.2	-38.1	177.4	-71.7	-176.5	169.5	0	0	112.7	H147 L148 D153 A154 L155 S507 Y508 I509 A543 R546 L547	H147-E151 WeakPolarHBondContact O-CG 3.36Å; H147-E151 PolarHBondContact O-N 3.33Å; L148-E151 PolarHBondContact O-N 3.33Å; E151-D153 VanDerWaalsContact C-N 3.33Å; E151-A154 PolarHBondContact O-N 2.94Å; E151-L155 PolarHBondContact O-N 3.02Å; E151-S507 VanDerWaalsContact OE1-CA 3.28Å; E151-S507 WeakPolarHBondContact OE1-CA 3.47Å; E151-S507 WeakPolarHBondContact OE2-CB 3.42Å; E151-Y508 PolarHBondContact OE1-N 3.03Å; E151-Y508 VanDerWaalsContact OE2-CA 3.31Å; E151-Y508 WeakPolarHBondContact OE2-CA 3.15Å; E151-Y508 VanDerWaalsContact OE2-CB 3.32Å; E151-Y508 WeakPolarHBondContact OE2-CB 3.45Å; E151-Y508 PolarHBondContact OE2-N 2.77Å; E151-I509 HydrophobicContact CB-CD1 3.84Å; E151-I509 HydrophobicContact CB-CG1 4.04Å; E151-I509 WeakPolarHBondContact OE2-CG1 3.31Å; E151-I509 PolarHBondContact OE2-N 3.1Å; E151-A543 HydrophobicContact CG-CB 3.91Å; E151-R546 IonicContact OE1-CZ 2.77Å; E151-R546 IonicContact OE1-NH1 2.73Å; E151-R546 PolarHBondContact OE1-NH1 3.38Å; E151-R546 IonicContact OE1-NH2 3.38Å; E151-R546 PolarHBondContact OE1-NH2 3.22Å; E151-R546 VanDerWaalsContact OE1-NH2 3.11Å; E151-L547 HydrophobicContact CB-CD1 3.62Å; E151-L547 HydrophobicContact CG-CD1 3.64Å
152	V	98.2	Very high	95.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.2	-43.6	171.6	171.2	0	0	0	0	110	L148 V149 L155 D156 G157 C159 A481 L484 I509	L148-V152 WeakPolarHBondContact O-CB 3.39Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 2.99Å; V149-V152 PolarHBondContact O-N 3.45Å; V152-L155 CarbonylContact O-C 3.54Å; V152-L155 PolarHBondContact O-N 2.91Å; V152-D156 PolarHBondContact O-N 3Å; V152-G157 WeakPolarHBondContact O-CA 3.07Å; V152-G157 PolarHBondContact O-N 2.97Å; V152-C159 WeakPolarHBondContact CG1-SG 3.19Å; V152-A481 HydrophobicContact CG2-CB 3.97Å; V152-L484 HydrophobicContact CG1-CD1 3.87Å; V152-I509 HydrophobicContact CG2-CD1 4.15Å
153	D	98.1	Very high	96	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64	-39.6	174.1	-179.3	77.2	0	0	0	112.7	V149 R150 E151 L155 D156 S328 F329 R561	V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.39Å; R150-D153 PolarHBondContact O-N 3.05Å; E151-D153 VanDerWaalsContact C-N 3.33Å; D153-L155 PolarHBondContact O-N 3.19Å; D153-D156 VanDerWaalsContact O-CA 3.24Å; D153-D156 WeakPolarHBondContact O-CA 3.25Å; D153-D156 PolarHBondContact O-N 3.46Å; D153-S328 VanDerWaalsContact CG-CA 3.48Å; D153-S328 WeakPolarHBondContact OD1-CA 3.45Å; D153-S328 WeakPolarHBondContact OD1-CB 3.45Å; D153-S328 PolarHBondContact OD1-OG 3.18Å; D153-S328 VanDerWaalsContact OD2-CA 3.31Å; D153-S328 WeakPolarHBondContact OD2-CA 3.1Å; D153-S328 PolarHBondContact OD2-OG 2.9Å; D153-F329 WeakPolarHBondContact OD2-CD2 3.37Å; D153-F329 PolarHBondContact OD2-N 2.77Å; D153-R561 VanDerWaalsContact CG-NH1 3.26Å; D153-R561 PolarHBondContact O-NE 3.34Å; D153-R561 PolarHBondContact O-NH1 3.1Å; D153-R561 IonicContact OD1-CZ 2.83Å; D153-R561 IonicContact OD1-NH1 3.19Å; D153-R561 PolarHBondContact OD1-NH1 2.95Å; D153-R561 IonicContact OD1-NH2 3.18Å; D153-R561 PolarHBondContact OD1-NH2 3.03Å; D153-R561 IonicContact OD2-CZ 3.43Å; D153-R561 IonicContact OD2-NH1 2.66Å; D153-R561 PolarHBondContact OD2-NH1 3.33Å; D153-R561 IonicContact OD2-NH2 3.25Å
154	A	97.9	Very high	96.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.8	-32.1	175.4	0	0	0	0	0	112.6	R150 E151 D156 F329 A543 L547 T548	R150-A154 WeakPolarHBondContact O-CB 3.47Å; R150-A154 PolarHBondContact O-N 3.03Å; E151-A154 PolarHBondContact O-N 2.94Å; A154-D156 PolarHBondContact O-N 3.06Å; A154-F329 HydrophobicContact CB-CE2 4.32Å; A154-A543 HydrophobicContact CB-CB 4.26Å; A154-A543 WeakPolarHBondContact CB-O 3.29Å; A154-L547 HydrophobicContact CB-CB 4.01Å; A154-T548 WeakPolarHBondContact O-CA 3.46Å; A154-T548 PolarHBondContact O-OG1 3.38Å
155	L	97.8	Very high	96.5	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	18.7	170	-62.6	173.3	0	0	0	112.9	R116 E151 V152 D153 G157 L484 I509 L547	R116-L155 PolarHBondContact NH1-O 3.07Å; E151-L155 PolarHBondContact O-N 3.02Å; V152-L155 CarbonylContact O-C 3.54Å; V152-L155 PolarHBondContact O-N 2.91Å; D153-L155 PolarHBondContact O-N 3.19Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.34Å; L155-L484 HydrophobicContact CB-CD1 3.79Å; L155-L484 HydrophobicContact CB-CD2 3.8Å; L155-L484 HydrophobicContact CB-CG 4.46Å; L155-L484 HydrophobicContact CD1-CD2 3.66Å; L155-L484 HydrophobicContact CG-CD2 4.36Å; L155-I509 HydrophobicContact CD1-CD1 3.9Å; L155-L547 HydrophobicContact CD1-CD1 4.44Å; L155-L547 HydrophobicContact CD2-CB 3.95Å; L155-L547 HydrophobicContact CG-CB 4.16Å; L155-L547 HydrophobicContact CG-CD1 4.4Å
156	D	97.3	Very high	96.6	Very high	10 Å²	10	9.5 Å²	9.5	5%	0.053	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	23.1	175	-159.9	21.4	0	0	0	115.1	R116 V152 D153 A154 R161 V557 S558 R561	R116-D156 PolarHBondContact NH1-O 2.94Å; R116-D156 PolarHBondContact NH2-O 3.22Å; V152-D156 PolarHBondContact O-N 3Å; D153-D156 VanDerWaalsContact O-CA 3.24Å; D153-D156 WeakPolarHBondContact O-CA 3.25Å; D153-D156 PolarHBondContact O-N 3.46Å; A154-D156 PolarHBondContact O-N 3.06Å; D156-R161 PolarHBondContact O-NH1 3.29Å; D156-R161 VanDerWaalsContact O-NH1 3.16Å; D156-R161 IonicContact OD1-NH1 3.24Å; D156-R161 PolarHBondContact OD1-NH1 2.91Å; D156-R161 VanDerWaalsContact OD1-NH1 3.1Å; D156-V557 HydrophobicContact CB-CB 4.32Å; D156-V557 HydrophobicContact CB-CG1 4.38Å; D156-V557 HydrophobicContact CB-CG2 4.06Å; D156-S558 WeakPolarHBondContact OD2-CB 3.41Å; D156-S558 PolarHBondContact OD2-N 3.15Å; D156-S558 PolarHBondContact OD2-OG 2.94Å; D156-R561 IonicContact OD1-CZ 2.86Å; D156-R561 IonicContact OD1-NE 2.63Å; D156-R561 PolarHBondContact OD1-NE 2.87Å; D156-R561 IonicContact OD1-NH2 2.97Å; D156-R561 PolarHBondContact OD1-NH2 3.18Å
157	G	96.9	Very high	96.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.038	C	C	.	.			trans	-63.7	166.5	173.8	0	0	0	0	0	114.4	E109 V152 L155 R161	E109-G157 WeakPolarHBondContact OE2-CA 3.26Å; V152-G157 WeakPolarHBondContact O-CA 3.07Å; V152-G157 PolarHBondContact O-N 2.97Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.34Å; G157-R161 PolarHBondContact O-NH1 2.7Å; G157-R161 VanDerWaalsContact O-NH1 3.14Å
158	L	97.1	Very high	96.7	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-84.8	-35.2	-172.1	-57.3	-175.3	0	0	0	113	E109 A112 G160 R161 A162 I197 E200 L201	E109-L158 VanDerWaalsContact CD-N 3.31Å; E109-L158 PolarHBondContact OE1-N 3.21Å; E109-L158 PolarHBondContact OE2-N 3.11Å; A112-L158 HydrophobicContact CB-CD1 3.79Å; A112-L158 HydrophobicContact CB-CD2 4.37Å; A112-L158 HydrophobicContact CB-CG 4Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 3.07Å; L158-R161 PolarHBondContact O-N 2.93Å; L158-R161 VanDerWaalsContact O-N 3.17Å; L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 3.25Å; L158-I197 HydrophobicContact CB-CD1 3.81Å; L158-I197 HydrophobicContact CD1-CD1 4.42Å; L158-E200 HydrophobicContact CD1-CB 4.32Å; L158-E200 HydrophobicContact CD2-CB 4.27Å; L158-L201 HydrophobicContact CD1-CD2 3.87Å; L158-L201 HydrophobicContact CD1-CG 4.14Å
159	C	95.8	Very high	96.6	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.02	4%	0.039	C	C	.	.	H	α-helix	trans	-63.9	-33.2	-165.6	67.7	0	0	0	0	113.8	E109 L140 V152 G163 A480	E109-C159 VanDerWaalsContact OE1-CB 3.3Å; E109-C159 WeakPolarHBondContact OE1-CB 3.44Å; E109-C159 PolarHBondContact OE1-N 2.86Å; E109-C159 PolarHBondContact OE1-SG 3.08Å; L140-C159 VanDerWaalsContact CD2-O 3.31Å; L140-C159 WeakPolarHBondContact CD2-O 3.37Å; V152-C159 WeakPolarHBondContact CG1-SG 3.19Å; C159-G163 PolarHBondContact O-N 3.03Å; C159-A480 HydrophobicContact CB-CB 4.35Å
160	G	95.9	Very high	96.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.5	-48	175.1	0	0	0	0	0	112.1	L158 G163 D164	L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 3.07Å; G160-G163 PolarHBondContact O-N 3.17Å; G160-D164 PolarHBondContact O-N 3.07Å
161	R	95.7	Very high	96.4	Very high	50 Å²	50	10 Å²	10	19%	0.189	4%	0.044	C	C	.	.	H	α-helix	trans	-64.4	-42.5	176.3	-58.3	-164.7	-59.1	-100.4	19.6	112	D156 G157 L158 G163 D164 W165 F196 E200	D156-R161 PolarHBondContact O-NH1 3.29Å; D156-R161 VanDerWaalsContact O-NH1 3.16Å; D156-R161 IonicContact OD1-NH1 3.24Å; D156-R161 PolarHBondContact OD1-NH1 2.91Å; D156-R161 VanDerWaalsContact OD1-NH1 3.1Å; G157-R161 PolarHBondContact O-NH1 2.7Å; G157-R161 VanDerWaalsContact O-NH1 3.14Å; L158-R161 PolarHBondContact O-N 2.93Å; L158-R161 VanDerWaalsContact O-N 3.17Å; R161-G163 VanDerWaalsContact C-N 3.32Å; R161-G163 PolarHBondContact O-N 3.36Å; R161-D164 PolarHBondContact O-N 3.32Å; R161-W165 WeakPolarHBondContact O-CB 3.5Å; R161-W165 PolarHBondContact O-N 3.04Å; R161-F196 HydrophobicContact CB-CE1 4.05Å; R161-F196 HydrophobicContact CB-CZ 3.82Å; R161-E200 IonicContact CZ-OE2 3.42Å; R161-E200 IonicContact NE-OE2 2.78Å; R161-E200 IonicContact NH2-OE2 3.11Å; R161-E200 PolarHBondContact NH2-OE2 3.19Å
162	A	96	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-39.6	176.3	0	0	0	0	0	111.8	L158 W165 A166 Y193 F196 I197	L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 3.25Å; A162-W165 PolarHBondContact O-N 2.79Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 2.85Å; A162-Y193 HydrophobicContact CB-CD2 3.73Å; A162-Y193 HydrophobicContact CB-CE2 3.4Å; A162-Y193 VanDerWaalsContact CB-CE2 3.4Å; A162-F196 VanDerWaalsContact CA-CD1 3.42Å; A162-F196 HydrophobicContact CB-CD1 3.37Å; A162-F196 HydrophobicContact CB-CE1 3.73Å; A162-F196 HydrophobicContact CB-CG 4.28Å; A162-I197 HydrophobicContact CB-CD1 3.54Å; A162-I197 HydrophobicContact CB-CG1 3.95Å
163	G	95.8	Very high	96	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-42.1	174.6	0	0	0	0	0	112.4	C159 G160 R161 G167 L188	C159-G163 PolarHBondContact O-N 3.03Å; G160-G163 PolarHBondContact O-N 3.17Å; R161-G163 VanDerWaalsContact C-N 3.32Å; R161-G163 PolarHBondContact O-N 3.36Å; G163-G167 VanDerWaalsContact O-CA 3.3Å; G163-G167 WeakPolarHBondContact O-CA 3.37Å; G163-G167 PolarHBondContact O-N 3.23Å; G163-L188 VanDerWaalsContact O-CD2 3.32Å; G163-L188 WeakPolarHBondContact O-CD2 3.28Å
164	D	95.6	Very high	95.7	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-68.8	-37.1	176.5	-72.5	-14.3	0	0	0	113.2	G160 R161 P326 F327 S328 N331	G160-D164 PolarHBondContact O-N 3.07Å; R161-D164 PolarHBondContact O-N 3.32Å; D164-P326 WeakPolarHBondContact OD1-CA 3.26Å; D164-P326 WeakPolarHBondContact OD2-CB 3.48Å; D164-F327 PolarHBondContact OD1-N 3.14Å; D164-F327 PolarHBondContact OD2-N 2.83Å; D164-S328 WeakPolarHBondContact OD2-CB 3.4Å; D164-S328 PolarHBondContact OD2-N 2.97Å; D164-N331 WeakPolarHBondContact CB-ND2 3.36Å; D164-N331 PolarHBondContact OD2-ND2 3.35Å
165	W	94.7	Very high	95.3	Very high	104 Å²	104	21.2 Å²	21.2	39%	0.394	10%	0.096	S	C	.	.	H	α-helix	trans	-69.2	-42.7	178.5	-176.4	-94.6	0	0	0	112.4	R161 A162 F196 R335	R161-W165 WeakPolarHBondContact O-CB 3.5Å; R161-W165 PolarHBondContact O-N 3.04Å; A162-W165 PolarHBondContact O-N 2.79Å; W165-F196 HydrophobicContact CB-CD2 3.75Å; W165-F196 HydrophobicContact CB-CE2 4.09Å; W165-F196 HydrophobicContact CB-CG 4.21Å; W165-F196 AromaticContact CD1-CD2 3.7Å; W165-F196 AromaticContact CD2-CD2 3.74Å; W165-F196 HydrophobicContact CD2-CD2 3.74Å; W165-F196 HydrophobicContact CD2-CE2 4.17Å; W165-F196 HydrophobicContact CE3-CD2 4.32Å; W165-F196 HydrophobicContact CE3-CE2 4.31Å; W165-F196 HydrophobicContact CG-CB 4.32Å; W165-F196 AromaticContact CG-CD2 3.47Å; W165-F196 HydrophobicContact CG-CD2 3.47Å; W165-F196 VanDerWaalsContact CG-CD2 3.47Å; W165-F196 HydrophobicContact CG-CE2 4.1Å; W165-F196 HydrophobicContact CG-CG 4.12Å; W165-R335 VanDerWaalsContact CE2-NH1 3.3Å; W165-R335 VanDerWaalsContact CZ2-CZ 3.44Å; W165-R335 WeakPolarHBondContact O-CD 3.3Å
166	A	95.8	Very high	94.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-92.5	-4.7	-176.7	0	0	0	0	0	113.6	A162 I168 L188 D189 R192 Y193	A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 2.85Å; A166-I168 PolarHBondContact O-N 2.88Å; A166-L188 HydrophobicContact CB-CB 4.42Å; A166-L188 HydrophobicContact CB-CD2 4.43Å; A166-L188 WeakPolarHBondContact O-CA 3.31Å; A166-D189 PolarHBondContact O-N 2.76Å; A166-R192 HydrophobicContact CB-CB 3.96Å; A166-Y193 HydrophobicContact CB-CD2 4.18Å; A166-Y193 HydrophobicContact CB-CG 4.41Å; A166-Y193 VanDerWaalsContact CB-N 3.35Å
167	G	96.1	Very high	94.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.8	-173.8	0	0	0	0	0	113.2	G163 Q187 C336	G163-G167 VanDerWaalsContact O-CA 3.3Å; G163-G167 WeakPolarHBondContact O-CA 3.37Å; G163-G167 PolarHBondContact O-N 3.23Å; G167-Q187 CarbonylContact C-O 3.4Å; G167-Q187 VanDerWaalsContact CA-O 3.31Å; G167-Q187 WeakPolarHBondContact CA-O 3.42Å; G167-C336 WeakPolarHBondContact O-CB 3.42Å
168	I	95.8	Very high	94	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-10.9	-179.7	60.2	169.4	0	0	0	112.8	A166 Q187 D189 Q341 L342 P398 L401	A166-I168 PolarHBondContact O-N 2.88Å; I168-Q187 HydrophobicContact CD1-CB 4.27Å; I168-Q187 HydrophobicContact CG1-CB 3.78Å; I168-Q187 WeakPolarHBondContact CG1-O 3.28Å; I168-Q187 PolarHBondContact N-O 3.35Å; I168-D189 HydrophobicContact CG2-CB 3.89Å; I168-Q341 CarbonylContact O-C 3.51Å; I168-Q341 WeakPolarHBondContact O-CA 3.35Å; I168-Q341 WeakPolarHBondContact O-CB 3.45Å; I168-Q341 WeakPolarHBondContact O-CG 3.39Å; I168-L342 HydrophobicContact CD1-CD1 4.3Å; I168-L342 PolarHBondContact O-N 2.66Å; I168-P398 HydrophobicContact CD1-CB 4.39Å; I168-L401 HydrophobicContact CB-CG 4.5Å; I168-L401 HydrophobicContact CG2-CD1 3.95Å; I168-L401 HydrophobicContact CG2-CD2 4.34Å; I168-L401 HydrophobicContact CG2-CG 3.7Å
169	N	95.7	Very high	93.5	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	127.5	172.9	179.2	-52.7	0	0	0	107.9	A186 Q187 Q341 L342	N169-A186 CarbonylContact O-C 3.44Å; N169-A186 WeakPolarHBondContact O-CA 3.4Å; N169-A186 VanDerWaalsContact O-CB 3.31Å; N169-A186 WeakPolarHBondContact O-CB 3.31Å; N169-Q187 HydrophobicContact CB-CB 3.88Å; N169-Q187 HydrophobicContact CB-CG 3.94Å; N169-Q187 PolarHBondContact O-N 2.84Å; N169-Q341 VanDerWaalsContact CA-OE1 3.3Å; N169-L342 WeakPolarHBondContact CB-O 3.48Å; N169-L342 PolarHBondContact ND2-O 3.4Å
170	F	96	Very high	93.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.6	175.3	-66.2	-103.3	0	0	0	110.6	A186 D321 P324 F327 T334	F170-A186 HydrophobicContact CD1-CB 3.65Å; F170-A186 HydrophobicContact CE1-CB 3.73Å; F170-A186 HydrophobicContact CG-CB 4.08Å; F170-A186 HydrophobicContact CZ-CB 4.23Å; F170-D321 PolarHBondContact O-N 3.44Å; F170-P324 HydrophobicContact CB-CB 3.65Å; F170-P324 HydrophobicContact CD2-CB 4.22Å; F170-P324 HydrophobicContact CG-CB 4.04Å; F170-F327 HydrophobicContact CE1-CD2 4.3Å; F170-F327 HydrophobicContact CE1-CE2 4.4Å; F170-T334 HydrophobicContact CD1-CG2 4.04Å; F170-T334 HydrophobicContact CD2-CG2 3.83Å; F170-T334 HydrophobicContact CE1-CG2 3.8Å; F170-T334 HydrophobicContact CE2-CG2 3.57Å; F170-T334 HydrophobicContact CG-CG2 4.06Å; F170-T334 HydrophobicContact CZ-CG2 3.55Å
171	S	94.6	Very high	92.8	Very high	24 Å²	24	36.1 Å²	36.1	17%	0.168	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.9	178.4	55	0	0	0	0	111.5	R185	S171-R185 PolarHBondContact N-O 3.08Å; S171-R185 PolarHBondContact O-N 3.12Å; S171-R185 VanDerWaalsContact O-O 3.04Å
172	V	94.3	Very high	92.7	Very high	15 Å²	15	35.4 Å²	35.4	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.5	172.9	-175.1	0	0	0	0	109.8	W182 L184 D321	V172-W182 HydrophobicContact CG1-CB 3.85Å; V172-W182 HydrophobicContact CG1-CD2 4.14Å; V172-W182 HydrophobicContact CG1-CG 3.81Å; V172-L184 HydrophobicContact CB-CD2 4.47Å; V172-L184 HydrophobicContact CG1-CD2 4.21Å; V172-L184 HydrophobicContact CG2-CD2 3.68Å; V172-D321 PolarHBondContact N-OD2 2.9Å
173	L	93.3	Very high	92.6	Very high	64 Å²	64	35.4 Å²	35.4	34%	0.335	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.9	176.1	-54.6	-176.4	0	0	0	110.9	V143 R175 W182 G183 R185	V143-L173 HydrophobicContact CG2-CB 4.4Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å; L173-R175 VanDerWaalsContact C-N 3.29Å; L173-R175 PolarHBondContact O-N 3.06Å; L173-W182 WeakPolarHBondContact O-CA 3.18Å; L173-G183 WeakPolarHBondContact CB-O 3.34Å; L173-G183 WeakPolarHBondContact CG-O 3.34Å; L173-G183 PolarHBondContact N-O 3.46Å; L173-G183 PolarHBondContact O-N 3.09Å; L173-R185 HydrophobicContact CD1-CB 4.49Å; L173-R185 HydrophobicContact CG-CB 4.36Å
174	N	92.6	Very high	92.6	Very high	52 Å²	52	35.9 Å²	35.9	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	31.4	-179	-64.6	-46.1	0	0	0	114.8	S176 K177 V181	N174-S176 PolarHBondContact O-N 3.15Å; N174-S176 VanDerWaalsContact O-N 3.08Å; N174-K177 HydrophobicContact CB-CB 4.26Å; N174-K177 HydrophobicContact CB-CD 4.18Å; N174-K177 HydrophobicContact CB-CG 4.42Å; N174-K177 PolarHBondContact O-N 3.44Å; N174-K177 PolarHBondContact OD1-NZ 2.9Å; N174-V181 HydrophobicContact CB-CG2 4.24Å
175	R	89.2	Confident	92.6	Very high	104 Å²	104	37.2 Å²	37.2	39%	0.392	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-50.9	-38.3	-178.3	-160.2	164.3	-175.9	135.7	1.8	113.6	L173 K177 W182 D321	L173-R175 VanDerWaalsContact C-N 3.29Å; L173-R175 PolarHBondContact O-N 3.06Å; R175-K177 PolarHBondContact O-N 2.87Å; R175-W182 PolarHBondContact O-NE1 2.94Å; R175-D321 IonicContact NH1-OD2 3.99Å; R175-D321 PolarHBondContact NH1-OD2 3.24Å
176	S	87.5	Confident	92.7	Very high	121 Å²	121	32.2 Å²	32.2	85%	0.846	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-75.9	-14.6	179.2	57.7	0	0	0	0	115.9	N174	N174-S176 PolarHBondContact O-N 3.15Å; N174-S176 VanDerWaalsContact O-N 3.08Å
177	K	87.9	Confident	92.7	Very high	143 Å²	143	32.3 Å²	32.3	62%	0.622	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-93.8	3.1	-175.4	-61.6	-177	-178.1	165.9	0	113.9	N174 R175 V181	N174-K177 HydrophobicContact CB-CB 4.26Å; N174-K177 HydrophobicContact CB-CD 4.18Å; N174-K177 HydrophobicContact CB-CG 4.42Å; N174-K177 PolarHBondContact O-N 3.44Å; N174-K177 PolarHBondContact OD1-NZ 2.9Å; R175-K177 PolarHBondContact O-N 2.87Å; K177-V181 HydrophobicContact CB-CG2 3.5Å
178	G	88.3	Confident	92.7	Very high	16 Å²	16	32.3 Å²	32.3	17%	0.165	17%	0.171	C	C	.	.			trans	96.2	156.3	176.4	0	0	0	0	0	114.7	A180 V181 W182	G178-A180 VanDerWaalsContact C-N 3.27Å; G178-A180 PolarHBondContact O-N 2.82Å; G178-A180 VanDerWaalsContact O-N 3.17Å; G178-V181 VanDerWaalsContact O-CG2 3.31Å; G178-V181 WeakPolarHBondContact O-CG2 3.37Å; G178-V181 PolarHBondContact O-N 3.29Å; G178-V181 VanDerWaalsContact O-N 3.13Å; G178-W182 VanDerWaalsContact C-NE1 3.33Å; G178-W182 PolarHBondContact O-NE1 3.42Å
179	P	88.1	Confident	92.8	Very high	17 Å²	17	32.5 Å²	32.5	11%	0.11	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.8	-174.9	-23	24.7	0	0	0	116.5	V181 W182 I642 Y646	P179-V181 PolarHBondContact O-N 2.8Å; P179-W182 VanDerWaalsContact CA-CD2 3.46Å; P179-W182 HydrophobicContact CB-CD2 4.11Å; P179-W182 HydrophobicContact CB-CE3 4.04Å; P179-W182 HydrophobicContact CB-CH2 4.11Å; P179-W182 HydrophobicContact CB-CZ2 4.18Å; P179-W182 HydrophobicContact CB-CZ3 4.04Å; P179-W182 HydrophobicContact CG-CH2 3.72Å; P179-W182 HydrophobicContact CG-CZ2 3.69Å; P179-W182 HydrophobicContact CG-CZ3 4.17Å; P179-W182 PolarHBondContact O-N 2.85Å; P179-I642 HydrophobicContact CB-CD1 3.96Å; P179-I642 HydrophobicContact CB-CG1 4.09Å; P179-I642 HydrophobicContact CB-CG2 3.87Å; P179-I642 HydrophobicContact CG-CB 4.35Å; P179-I642 HydrophobicContact CG-CD1 3.88Å; P179-I642 HydrophobicContact CG-CG1 3.57Å; P179-I642 HydrophobicContact CG-CG2 3.99Å; P179-Y646 HydrophobicContact CB-CE2 3.79Å; P179-Y646 WeakPolarHBondContact CD-OH 3.43Å; P179-Y646 HydrophobicContact CG-CE2 3.71Å
180	A	87.7	Confident	92.7	Very high	2 Å²	2	34 Å²	34	2%	0.017	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63	-14	-180	0	0	0	0	0	114.6	G178 T536 R539 Y646	G178-A180 VanDerWaalsContact C-N 3.27Å; G178-A180 PolarHBondContact O-N 2.82Å; G178-A180 VanDerWaalsContact O-N 3.17Å; A180-T536 HydrophobicContact CB-CG2 4.35Å; A180-R539 HydrophobicContact CB-CG 4.49Å; A180-Y646 HydrophobicContact CB-CE1 3.9Å; A180-Y646 HydrophobicContact CB-CE2 4.43Å; A180-Y646 PolarHBondContact N-OH 3.36Å
181	V	89.1	Confident	92.7	Very high	34 Å²	34	38.4 Å²	38.4	21%	0.206	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-126.1	12.3	179.8	-63.2	0	0	0	0	113	N174 K177 G178 P179 G183	N174-V181 HydrophobicContact CB-CG2 4.24Å; K177-V181 HydrophobicContact CB-CG2 3.5Å; G178-V181 VanDerWaalsContact O-CG2 3.31Å; G178-V181 WeakPolarHBondContact O-CG2 3.37Å; G178-V181 PolarHBondContact O-N 3.29Å; G178-V181 VanDerWaalsContact O-N 3.13Å; P179-V181 PolarHBondContact O-N 2.8Å; V181-G183 PolarHBondContact O-N 3.35Å
182	W	92.8	Very high	92.7	Very high	35 Å²	35	41 Å²	41	13%	0.133	20%	0.204	C	C	.	.			trans	-64.3	122.2	176.5	-74.5	-4.3	0	0	0	110.7	H147 V172 L173 R175 G178 P179 P540 Q638 I642	H147-W182 PolarHBondContact CE1-O 2.83Å; V172-W182 HydrophobicContact CG1-CB 3.85Å; V172-W182 HydrophobicContact CG1-CD2 4.14Å; V172-W182 HydrophobicContact CG1-CG 3.81Å; L173-W182 WeakPolarHBondContact O-CA 3.18Å; R175-W182 PolarHBondContact O-NE1 2.94Å; G178-W182 VanDerWaalsContact C-NE1 3.33Å; G178-W182 PolarHBondContact O-NE1 3.42Å; P179-W182 VanDerWaalsContact CA-CD2 3.46Å; P179-W182 HydrophobicContact CB-CD2 4.11Å; P179-W182 HydrophobicContact CB-CE3 4.04Å; P179-W182 HydrophobicContact CB-CH2 4.11Å; P179-W182 HydrophobicContact CB-CZ2 4.18Å; P179-W182 HydrophobicContact CB-CZ3 4.04Å; P179-W182 HydrophobicContact CG-CH2 3.72Å; P179-W182 HydrophobicContact CG-CZ2 3.69Å; P179-W182 HydrophobicContact CG-CZ3 4.17Å; P179-W182 PolarHBondContact O-N 2.85Å; W182-P540 HydrophobicContact CB-CG 4.41Å; W182-Q638 VanDerWaalsContact CH2-NE2 3.33Å; W182-I642 HydrophobicContact CH2-CD1 4.11Å; W182-I642 HydrophobicContact CZ3-CD1 3.93Å
183	G	93.8	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	90.1	174.5	0	0	0	0	0	109.9	G142 L173 V181 R185	G142-G183 WeakPolarHBondContact O-CA 3.42Å; L173-G183 WeakPolarHBondContact CB-O 3.34Å; L173-G183 WeakPolarHBondContact CG-O 3.34Å; L173-G183 PolarHBondContact N-O 3.46Å; L173-G183 PolarHBondContact O-N 3.09Å; V181-G183 PolarHBondContact O-N 3.35Å; G183-R185 PolarHBondContact O-N 3.01Å
184	L	95.1	Very high	93	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	127.1	172.6	-61.9	-179.5	0	0	0	109.4	G141 G142 G146 R150 V172 T325 F327 P540	G141-L184 CarbonylContact C-O 3.55Å; G141-L184 WeakPolarHBondContact CA-O 3.5Å; G142-L184 PolarHBondContact N-O 2.75Å; G146-L184 WeakPolarHBondContact CA-O 3.48Å; R150-L184 HydrophobicContact CG-CD1 3.84Å; V172-L184 HydrophobicContact CB-CD2 4.47Å; V172-L184 HydrophobicContact CG1-CD2 4.21Å; V172-L184 HydrophobicContact CG2-CD2 3.68Å; L184-T325 HydrophobicContact CD2-CG2 4.04Å; L184-F327 HydrophobicContact CB-CD1 4.15Å; L184-F327 HydrophobicContact CB-CE1 3.65Å; L184-F327 HydrophobicContact CB-CZ 4.47Å; L184-F327 WeakPolarHBondContact O-CE1 3.33Å; L184-P540 HydrophobicContact CD1-CB 4.22Å
185	R	96.4	Very high	93.1	Very high	30 Å²	30	43.3 Å²	43.3	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.4	-177.7	-176.3	176.3	-175.6	-110.5	3.4	110.3	N137 S139 L140 S171 L173 G183 Q187 E397	N137-R185 PolarHBondContact ND2-NH2 3.27Å; S139-R185 PolarHBondContact OG-NH2 3.38Å; L140-R185 WeakPolarHBondContact O-CA 3.44Å; S171-R185 PolarHBondContact N-O 3.08Å; S171-R185 PolarHBondContact O-N 3.12Å; S171-R185 VanDerWaalsContact O-O 3.04Å; L173-R185 HydrophobicContact CD1-CB 4.49Å; L173-R185 HydrophobicContact CG-CB 4.36Å; G183-R185 PolarHBondContact O-N 3.01Å; R185-Q187 VanDerWaalsContact CZ-NE2 3.27Å; R185-E397 IonicContact CZ-OE1 2.74Å; R185-E397 IonicContact NH1-OE1 3.48Å; R185-E397 PolarHBondContact NH1-OE1 3.47Å; R185-E397 IonicContact NH2-OE1 3.97Å; R185-E397 PolarHBondContact NH2-OE1 2.94Å; R185-E397 IonicContact NH2-OE2 3.34Å; R185-E397 PolarHBondContact NH2-OE2 3.27Å
186	A	96.2	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	166.3	0	0	0	0	0	112.3	S139 L140 N169 F170 L188 F327	S139-A186 CarbonylContact C-O 3.44Å; S139-A186 WeakPolarHBondContact CA-O 3.31Å; S139-A186 VanDerWaalsContact CB-O 3.28Å; S139-A186 WeakPolarHBondContact CB-O 3.48Å; L140-A186 PolarHBondContact N-O 2.96Å; L140-A186 PolarHBondContact O-N 3.03Å; N169-A186 CarbonylContact O-C 3.44Å; N169-A186 WeakPolarHBondContact O-CA 3.4Å; N169-A186 VanDerWaalsContact O-CB 3.31Å; N169-A186 WeakPolarHBondContact O-CB 3.31Å; F170-A186 HydrophobicContact CD1-CB 3.65Å; F170-A186 HydrophobicContact CE1-CB 3.73Å; F170-A186 HydrophobicContact CG-CB 4.08Å; F170-A186 HydrophobicContact CZ-CB 4.23Å; A186-L188 HydrophobicContact CB-CD2 4.25Å; A186-F327 HydrophobicContact CB-CE2 3.54Å; A186-F327 HydrophobicContact CB-CZ 4.17Å
187	Q	96.7	Very high	94	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.7	158	-61.1	-62.1	-11.3	0	0	109.4	P138 G167 I168 N169 R185 E397	P138-Q187 CarbonylContact O-C 3.44Å; P138-Q187 WeakPolarHBondContact O-CA 3.37Å; P138-Q187 PolarHBondContact O-OE1 2.97Å; G167-Q187 CarbonylContact C-O 3.4Å; G167-Q187 VanDerWaalsContact CA-O 3.31Å; G167-Q187 WeakPolarHBondContact CA-O 3.42Å; I168-Q187 HydrophobicContact CD1-CB 4.27Å; I168-Q187 HydrophobicContact CG1-CB 3.78Å; I168-Q187 WeakPolarHBondContact CG1-O 3.28Å; I168-Q187 PolarHBondContact N-O 3.35Å; N169-Q187 HydrophobicContact CB-CB 3.88Å; N169-Q187 HydrophobicContact CB-CG 3.94Å; N169-Q187 PolarHBondContact O-N 2.84Å; R185-Q187 VanDerWaalsContact CZ-NE2 3.27Å; Q187-E397 PolarHBondContact NE2-OE1 2.75Å; Q187-E397 PolarHBondContact NE2-OE2 2.78Å; Q187-E397 PolarHBondContact OE1-OE2 2.89Å
188	L	96.6	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142	-174.6	-55.5	-176.1	0	0	0	110.3	L134 P138 L140 G163 A166 A186 R190 Y193	L134-L188 HydrophobicContact CD1-CB 4Å; L134-L188 HydrophobicContact CD1-CD1 3.88Å; P138-L188 PolarHBondContact O-N 2.84Å; L140-L188 HydrophobicContact CB-CD1 3.66Å; L140-L188 HydrophobicContact CB-CD2 4.39Å; L140-L188 HydrophobicContact CB-CG 4.16Å; G163-L188 VanDerWaalsContact O-CD2 3.32Å; G163-L188 WeakPolarHBondContact O-CD2 3.28Å; A166-L188 HydrophobicContact CB-CB 4.42Å; A166-L188 HydrophobicContact CB-CD2 4.43Å; A166-L188 WeakPolarHBondContact O-CA 3.31Å; A186-L188 HydrophobicContact CB-CD2 4.25Å; L188-R190 PolarHBondContact O-N 3.21Å; L188-Y193 HydrophobicContact CD1-CD2 3.53Å; L188-Y193 HydrophobicContact CD1-CE2 3.83Å; L188-Y193 HydrophobicContact CD1-CG 4.12Å
189	D	96.5	Very high	94.9	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.032	15%	0.147	C	C	.	.			trans	-71.5	115.2	159.4	-174	-55.1	0	0	0	109.4	A166 I168 Q191 R192 Y193 G400 L401	A166-D189 PolarHBondContact O-N 2.76Å; I168-D189 HydrophobicContact CG2-CB 3.89Å; D189-Q191 VanDerWaalsContact C-N 3.26Å; D189-Q191 PolarHBondContact O-N 3.31Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.39Å; D189-Q191 PolarHBondContact OD1-N 3.28Å; D189-R192 HydrophobicContact CB-CB 4.03Å; D189-R192 HydrophobicContact CB-CG 4.07Å; D189-R192 PolarHBondContact O-N 2.93Å; D189-R192 PolarHBondContact OD1-N 3.08Å; D189-Y193 WeakPolarHBondContact O-CB 3.36Å; D189-Y193 PolarHBondContact O-N 3.19Å; D189-G400 WeakPolarHBondContact OD2-CA 3.4Å; D189-L401 PolarHBondContact OD2-N 3.2Å
190	R	95.3	Very high	95.3	Very high	38 Å²	38	32.6 Å²	32.6	14%	0.143	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-38.9	-176.2	-66.8	-169.7	-169.9	-83.2	-6.3	112.6	L134 C136 P138 L188 R194 E399	L134-R190 VanDerWaalsContact C-NH1 3.31Å; L134-R190 HydrophobicContact CB-CG 4.35Å; L134-R190 HydrophobicContact CD1-CG 4.3Å; L134-R190 PolarHBondContact O-NH1 3.22Å; C136-R190 VanDerWaalsContact O-CZ 3.27Å; C136-R190 PolarHBondContact O-NH1 3.42Å; C136-R190 PolarHBondContact O-NH2 2.95Å; P138-R190 HydrophobicContact CB-CG 4.28Å; L188-R190 PolarHBondContact O-N 3.21Å; R190-R194 VanDerWaalsContact O-CB 3.32Å; R190-R194 WeakPolarHBondContact O-CB 3.38Å; R190-R194 PolarHBondContact O-N 3.41Å; R190-E399 IonicContact CZ-OE1 3.22Å; R190-E399 IonicContact CZ-OE2 3.38Å; R190-E399 PolarHBondContact N-O 3.36Å; R190-E399 VanDerWaalsContact N-O 3.08Å; R190-E399 IonicContact NE-OE1 3.68Å; R190-E399 PolarHBondContact NE-OE1 3.35Å; R190-E399 IonicContact NE-OE2 2.83Å; R190-E399 PolarHBondContact NE-OE2 3.47Å; R190-E399 VanDerWaalsContact NH2-CD 3.3Å; R190-E399 IonicContact NH2-OE1 3.49Å; R190-E399 PolarHBondContact NH2-OE1 2.85Å; R190-E399 IonicContact NH2-OE2 3.56Å
191	Q	94.9	Very high	95.7	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-71.1	-49.6	-176.9	176.2	173.8	-4.1	0	0	109.9	D189 Y193 R194 E195	D189-Q191 VanDerWaalsContact C-N 3.26Å; D189-Q191 PolarHBondContact O-N 3.31Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.39Å; D189-Q191 PolarHBondContact OD1-N 3.28Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 2.95Å; Q191-R194 WeakPolarHBondContact O-CB 3.36Å; Q191-R194 PolarHBondContact O-N 3.15Å; Q191-E195 HydrophobicContact CG-CG 4.36Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.29Å; Q191-E195 PolarHBondContact NE2-OE1 3.37Å; Q191-E195 WeakPolarHBondContact O-CG 3.44Å; Q191-E195 PolarHBondContact O-N 2.82Å
192	R	95.7	Very high	96	Very high	79 Å²	79	36.4 Å²	36.4	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-61.9	-38.4	179.5	-66.5	-178.2	177.7	-172.1	0.8	112.6	A166 D189 F196 L401	A166-R192 HydrophobicContact CB-CB 3.96Å; D189-R192 HydrophobicContact CB-CB 4.03Å; D189-R192 HydrophobicContact CB-CG 4.07Å; D189-R192 PolarHBondContact O-N 2.93Å; D189-R192 PolarHBondContact OD1-N 3.08Å; R192-F196 WeakPolarHBondContact O-CB 3.05Å; R192-F196 PolarHBondContact O-N 3.49Å; R192-L401 VanDerWaalsContact NH1-CD1 3.33Å
193	Y	96.8	Very high	96.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-47.4	177.6	-175.4	-93	0	0	0	110.9	G132 L134 A162 A166 L188 D189 Q191 F196 I197	G132-Y193 VanDerWaalsContact O-CD1 3.3Å; G132-Y193 WeakPolarHBondContact O-CD1 3.45Å; L134-Y193 HydrophobicContact CD1-CD1 4.26Å; L134-Y193 HydrophobicContact CD1-CG 4.27Å; L134-Y193 HydrophobicContact CD2-CD1 4.1Å; L134-Y193 HydrophobicContact CD2-CE1 4.01Å; L134-Y193 HydrophobicContact CG-CD1 3.98Å; L134-Y193 HydrophobicContact CG-CE1 4.38Å; L134-Y193 HydrophobicContact CG-CG 4.48Å; A162-Y193 HydrophobicContact CB-CD2 3.73Å; A162-Y193 HydrophobicContact CB-CE2 3.4Å; A162-Y193 VanDerWaalsContact CB-CE2 3.4Å; A166-Y193 HydrophobicContact CB-CD2 4.18Å; A166-Y193 HydrophobicContact CB-CG 4.41Å; A166-Y193 VanDerWaalsContact CB-N 3.35Å; L188-Y193 HydrophobicContact CD1-CD2 3.53Å; L188-Y193 HydrophobicContact CD1-CE2 3.83Å; L188-Y193 HydrophobicContact CD1-CG 4.12Å; D189-Y193 WeakPolarHBondContact O-CB 3.36Å; D189-Y193 PolarHBondContact O-N 3.19Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 2.95Å; Y193-F196 PolarHBondContact O-N 2.9Å; Y193-I197 HydrophobicContact CD1-CG1 4.3Å; Y193-I197 HydrophobicContact CE1-CG1 3.95Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 3.22Å; Y193-I197 VanDerWaalsContact O-N 3.12Å
194	R	95.6	Very high	96.3	Very high	89 Å²	89	39.8 Å²	39.8	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-47.4	178.9	-176.3	-177.1	70.8	175.5	-9.3	112	Q129 I131 R190 Q191 I197 Q198	Q129-R194 VanDerWaalsContact O-CD 3.31Å; Q129-R194 WeakPolarHBondContact O-CD 3.47Å; I131-R194 VanDerWaalsContact O-CG 3.3Å; I131-R194 WeakPolarHBondContact O-CG 3.35Å; R190-R194 VanDerWaalsContact O-CB 3.32Å; R190-R194 WeakPolarHBondContact O-CB 3.38Å; R190-R194 PolarHBondContact O-N 3.41Å; Q191-R194 WeakPolarHBondContact O-CB 3.36Å; Q191-R194 PolarHBondContact O-N 3.15Å; R194-I197 PolarHBondContact O-N 2.8Å; R194-Q198 VanDerWaalsContact CG-NE2 3.29Å; R194-Q198 VanDerWaalsContact O-CG 3.31Å; R194-Q198 WeakPolarHBondContact O-CG 3.46Å; R194-Q198 PolarHBondContact O-N 3.46Å
195	E	96	Very high	96.3	Very high	89 Å²	89	43.9 Å²	43.9	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-43.5	178.9	-73.6	169.1	-179.5	0	0	112	Q191 Q198 A199	Q191-E195 HydrophobicContact CG-CG 4.36Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.29Å; Q191-E195 PolarHBondContact NE2-OE1 3.37Å; Q191-E195 WeakPolarHBondContact O-CG 3.44Å; Q191-E195 PolarHBondContact O-N 2.82Å; E195-Q198 PolarHBondContact O-N 2.81Å; E195-A199 WeakPolarHBondContact O-CB 3.2Å; E195-A199 PolarHBondContact O-N 2.81Å
196	F	96.7	Very high	96.3	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-49.4	177.3	-179.7	-86.4	0	0	0	111.8	R161 A162 W165 R192 Y193 Q198 A199 E200	R161-F196 HydrophobicContact CB-CE1 4.05Å; R161-F196 HydrophobicContact CB-CZ 3.82Å; A162-F196 VanDerWaalsContact CA-CD1 3.42Å; A162-F196 HydrophobicContact CB-CD1 3.37Å; A162-F196 HydrophobicContact CB-CE1 3.73Å; A162-F196 HydrophobicContact CB-CG 4.28Å; W165-F196 HydrophobicContact CB-CD2 3.75Å; W165-F196 HydrophobicContact CB-CE2 4.09Å; W165-F196 HydrophobicContact CB-CG 4.21Å; W165-F196 AromaticContact CD1-CD2 3.7Å; W165-F196 AromaticContact CD2-CD2 3.74Å; W165-F196 HydrophobicContact CD2-CD2 3.74Å; W165-F196 HydrophobicContact CD2-CE2 4.17Å; W165-F196 HydrophobicContact CE3-CD2 4.32Å; W165-F196 HydrophobicContact CE3-CE2 4.31Å; W165-F196 HydrophobicContact CG-CB 4.32Å; W165-F196 AromaticContact CG-CD2 3.47Å; W165-F196 HydrophobicContact CG-CD2 3.47Å; W165-F196 VanDerWaalsContact CG-CD2 3.47Å; W165-F196 HydrophobicContact CG-CE2 4.1Å; W165-F196 HydrophobicContact CG-CG 4.12Å; R192-F196 WeakPolarHBondContact O-CB 3.05Å; R192-F196 PolarHBondContact O-N 3.49Å; Y193-F196 PolarHBondContact O-N 2.9Å; F196-Q198 VanDerWaalsContact C-N 3.31Å; F196-Q198 PolarHBondContact O-N 2.94Å; F196-A199 PolarHBondContact O-N 3.31Å; F196-E200 HydrophobicContact CD1-CG 3.99Å; F196-E200 HydrophobicContact CE1-CG 3.55Å; F196-E200 HydrophobicContact CE2-CG 4.35Å; F196-E200 HydrophobicContact CZ-CG 3.75Å; F196-E200 WeakPolarHBondContact O-CG 3.36Å; F196-E200 PolarHBondContact O-N 3.48Å
197	I	97.8	Very high	96.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-40.9	-179.9	-67.5	-67.6	0	0	0	111.1	T108 I131 L158 A162 Y193 R194 L201	T108-I197 HydrophobicContact CG2-CG2 3.71Å; I131-I197 HydrophobicContact CG2-CG2 4.06Å; L158-I197 HydrophobicContact CB-CD1 3.81Å; L158-I197 HydrophobicContact CD1-CD1 4.42Å; A162-I197 HydrophobicContact CB-CD1 3.54Å; A162-I197 HydrophobicContact CB-CG1 3.95Å; Y193-I197 HydrophobicContact CD1-CG1 4.3Å; Y193-I197 HydrophobicContact CE1-CG1 3.95Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 3.22Å; Y193-I197 VanDerWaalsContact O-N 3.12Å; R194-I197 PolarHBondContact O-N 2.8Å; I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.47Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.04Å
198	Q	97.3	Very high	96.4	Very high	37 Å²	37	54.5 Å²	54.5	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-46.5	176.9	-73.6	174.1	18.5	0	0	111.7	I128 Q129 I131 R194 E195 F196 E200 L201 L202	I128-Q198 PolarHBondContact O-NE2 3.18Å; Q129-Q198 PolarHBondContact O-NE2 3.45Å; I131-Q198 HydrophobicContact CB-CG 3.98Å; I131-Q198 HydrophobicContact CG2-CG 4.27Å; I131-Q198 PolarHBondContact O-NE2 3.08Å; I131-Q198 VanDerWaalsContact O-NE2 3.11Å; R194-Q198 VanDerWaalsContact CG-NE2 3.29Å; R194-Q198 VanDerWaalsContact O-CG 3.31Å; R194-Q198 WeakPolarHBondContact O-CG 3.46Å; R194-Q198 PolarHBondContact O-N 3.46Å; E195-Q198 PolarHBondContact O-N 2.81Å; F196-Q198 VanDerWaalsContact C-N 3.31Å; F196-Q198 PolarHBondContact O-N 2.94Å; Q198-E200 PolarHBondContact O-N 3.22Å; Q198-L201 PolarHBondContact O-N 3.07Å; Q198-L202 WeakPolarHBondContact O-CB 3.37Å; Q198-L202 VanDerWaalsContact O-CG 3.23Å; Q198-L202 WeakPolarHBondContact O-CG 3.39Å; Q198-L202 PolarHBondContact O-N 3.16Å
199	A	97.3	Very high	96.4	Very high	59 Å²	59	55.7 Å²	55.7	49%	0.488	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-44.5	178.5	0	0	0	0	0	112.3	E195 F196 S203	E195-A199 WeakPolarHBondContact O-CB 3.2Å; E195-A199 PolarHBondContact O-N 2.81Å; F196-A199 PolarHBondContact O-N 3.31Å; A199-S203 WeakPolarHBondContact O-CB 3.13Å; A199-S203 PolarHBondContact O-N 3.48Å; A199-S203 VanDerWaalsContact O-N 3.11Å; A199-S203 PolarHBondContact O-OG 3.49Å
200	E	96.7	Very high	96.4	Very high	53 Å²	53	57.9 Å²	57.9	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-45.5	177.5	-71.7	-77.3	119.4	0	0	111.7	L158 R161 F196 Q198 S203 T204	L158-E200 HydrophobicContact CD1-CB 4.32Å; L158-E200 HydrophobicContact CD2-CB 4.27Å; R161-E200 IonicContact CZ-OE2 3.42Å; R161-E200 IonicContact NE-OE2 2.78Å; R161-E200 IonicContact NH2-OE2 3.11Å; R161-E200 PolarHBondContact NH2-OE2 3.19Å; F196-E200 HydrophobicContact CD1-CG 3.99Å; F196-E200 HydrophobicContact CE1-CG 3.55Å; F196-E200 HydrophobicContact CE2-CG 4.35Å; F196-E200 HydrophobicContact CZ-CG 3.75Å; F196-E200 WeakPolarHBondContact O-CG 3.36Å; F196-E200 PolarHBondContact O-N 3.48Å; Q198-E200 PolarHBondContact O-N 3.22Å; E200-S203 PolarHBondContact O-N 2.89Å; E200-S203 PolarHBondContact O-OG 3Å; E200-S203 VanDerWaalsContact O-OG 3.07Å; E200-T204 PolarHBondContact O-N 3.02Å; E200-T204 PolarHBondContact O-OG1 3.47Å
201	L	96.9	Very high	96.3	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-67.9	-40.4	-178.6	-69.3	168.3	0	0	0	112.4	T108 A112 L123 I131 L158 I197 Q198 S203 T204 L207	T108-L201 HydrophobicContact CG2-CD1 3.67Å; A112-L201 HydrophobicContact CB-CD2 4.12Å; L123-L201 HydrophobicContact CD2-CD1 4.2Å; I131-L201 HydrophobicContact CG2-CD1 3.54Å; L158-L201 HydrophobicContact CD1-CD2 3.87Å; L158-L201 HydrophobicContact CD1-CG 4.14Å; I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.47Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.04Å; Q198-L201 PolarHBondContact O-N 3.07Å; L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 3.17Å; L201-T204 PolarHBondContact O-N 3.08Å; L201-L207 HydrophobicContact CB-CD2 4.12Å; L201-L207 HydrophobicContact CD2-CD2 3.59Å; L201-L207 HydrophobicContact CG-CD2 4.46Å
202	L	95.9	Very high	96.1	Very high	116 Å²	116	57.3 Å²	57.3	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-69.4	-26.1	178.8	-68.6	172.8	0	0	0	112.7	Q198 V209	Q198-L202 WeakPolarHBondContact O-CB 3.37Å; Q198-L202 VanDerWaalsContact O-CG 3.23Å; Q198-L202 WeakPolarHBondContact O-CG 3.39Å; Q198-L202 PolarHBondContact O-N 3.16Å; L202-V209 HydrophobicContact CD2-CB 4.27Å; L202-V209 HydrophobicContact CD2-CG2 4.05Å
203	S	96.2	Very high	95.9	Very high	83 Å²	83	55.3 Å²	55.3	58%	0.58	29%	0.292	S	S	*	.	H	α-helix	trans	-91.4	-8.1	176.5	60.5	0	0	0	0	113.9	A199 E200 L201 P205	A199-S203 WeakPolarHBondContact O-CB 3.13Å; A199-S203 PolarHBondContact O-N 3.48Å; A199-S203 VanDerWaalsContact O-N 3.11Å; A199-S203 PolarHBondContact O-OG 3.49Å; E200-S203 PolarHBondContact O-N 2.89Å; E200-S203 PolarHBondContact O-OG 3Å; E200-S203 VanDerWaalsContact O-OG 3.07Å; L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 3.17Å; S203-P205 WeakPolarHBondContact O-CD 3.38Å
204	T	96.2	Very high	95.7	Very high	22 Å²	22	55.5 Å²	55.5	14%	0.135	29%	0.293	C	S	.	.	S	Bend	trans	-70.1	121.5	-178.1	-66	0	0	0	0	110.7	A115 E200 L201 L207	A115-T204 HydrophobicContact CB-CG2 3.8Å; E200-T204 PolarHBondContact O-N 3.02Å; E200-T204 PolarHBondContact O-OG1 3.47Å; L201-T204 PolarHBondContact O-N 3.08Å; T204-L207 HydrophobicContact CG2-CB 3.93Å; T204-L207 HydrophobicContact CG2-CD2 4.29Å; T204-L207 PolarHBondContact O-N 3.17Å
205	P	95.2	Very high	95.4	Very high	96 Å²	96	55 Å²	55	62%	0.623	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	145.9	176	-22	33.2	0	0	0	111.7	S203 L207	S203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-L207 PolarHBondContact O-N 3.39Å
206	R	96.1	Very high	95.2	Very high	124 Å²	124	53.2 Å²	53.2	47%	0.468	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	13.2	-178.3	-55.9	-180	-89.1	-101	-0.7	115	A115 E120 T121	A115-R206 PolarHBondContact O-NE 3.15Å; E120-R206 WeakPolarHBondContact OE1-CG 3.45Å; T121-R206 PolarHBondContact N-O 3.48Å
207	L	97.9	Very high	95	Very high	20 Å²	20	52 Å²	52	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.4	172.6	179.2	56.6	0	0	0	110.1	A111 A115 T121 L123 L201 T204 P205	A111-L207 HydrophobicContact CB-CD1 3.86Å; A111-L207 HydrophobicContact CB-CD2 4.06Å; A115-L207 HydrophobicContact CB-CB 4.11Å; T121-L207 HydrophobicContact CG2-CD1 3.81Å; T121-L207 WeakPolarHBondContact O-CA 3.4Å; L123-L207 HydrophobicContact CB-CD1 4.04Å; L201-L207 HydrophobicContact CB-CD2 4.12Å; L201-L207 HydrophobicContact CD2-CD2 3.59Å; L201-L207 HydrophobicContact CG-CD2 4.46Å; T204-L207 HydrophobicContact CG2-CB 3.93Å; T204-L207 HydrophobicContact CG2-CD2 4.29Å; T204-L207 PolarHBondContact O-N 3.17Å; P205-L207 PolarHBondContact O-N 3.39Å
208	K	97.4	Very high	94.9	Very high	111 Å²	111	53.2 Å²	53.2	48%	0.483	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.7	168.3	-167.2	176.7	-176.3	179.6	0	109.7	Y96 T121 L122 L123	Y96-K208 WeakPolarHBondContact OH-CD 3.34Å; T121-K208 PolarHBondContact O-N 2.89Å; L122-K208 CarbonylContact C-O 3.56Å; L122-K208 WeakPolarHBondContact CA-O 3.37Å; L122-K208 HydrophobicContact CD1-CB 4.09Å; L122-K208 HydrophobicContact CD1-CD 4.44Å; L122-K208 HydrophobicContact CD1-CG 4.29Å; L123-K208 PolarHBondContact N-O 3.44Å
209	V	97	Very high	94.7	Very high	24 Å²	24	53.8 Å²	53.8	15%	0.145	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.9	173.1	-175.9	0	0	0	0	108.9	L123 I128 I131 L202	L123-V209 HydrophobicContact CB-CG2 4.47Å; L123-V209 HydrophobicContact CD2-CG2 4.39Å; L123-V209 WeakPolarHBondContact O-CA 3.49Å; I128-V209 HydrophobicContact CD1-CG1 4.23Å; I128-V209 HydrophobicContact CG1-CG1 4Å; I131-V209 HydrophobicContact CD1-CG1 3.8Å; L202-V209 HydrophobicContact CD2-CB 4.27Å; L202-V209 HydrophobicContact CD2-CG2 4.05Å
210	L	95	Very high	94.5	Very high	52 Å²	52	53 Å²	53	27%	0.272	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	177.4	179	66.9	0	0	0	109.9	L122 L123 V124 T125 L237 I244	L122-L210 HydrophobicContact CD1-CB 3.85Å; L123-L210 PolarHBondContact O-N 2.63Å; V124-L210 WeakPolarHBondContact CA-O 3.39Å; V124-L210 HydrophobicContact CG2-CB 4.48Å; V124-L210 HydrophobicContact CG2-CD2 4.47Å; T125-L210 PolarHBondContact N-O 3.15Å; L210-L237 HydrophobicContact CD2-CD1 3.83Å; L210-I244 HydrophobicContact CD2-CD1 3.96Å
211	E	94.4	Very high	94.2	Very high	103 Å²	103	57.4 Å²	57.4	48%	0.481	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.2	170.5	-162.7	163.1	100	0	0	109.9	T125 Q126 K127 I128	T125-E211 CarbonylContact O-C 3.53Å; T125-E211 VanDerWaalsContact O-CA 3.28Å; T125-E211 WeakPolarHBondContact O-CA 3.4Å; Q126-E211 WeakPolarHBondContact O-CG 3.45Å; K127-E211 WeakPolarHBondContact CA-OE2 3.5Å; I128-E211 HydrophobicContact CD1-CB 3.99Å; I128-E211 HydrophobicContact CG1-CB 3.99Å; I128-E211 HydrophobicContact CG1-CG 4.4Å; I128-E211 PolarHBondContact N-OE2 3.34Å
212	G	90.8	Very high	93.9	Very high	18 Å²	18	59.3 Å²	59.3	19%	0.186	32%	0.322	C	S	.	.			trans	173.7	153.4	-179.3	0	0	0	0	0	113.1	V124 T125 Q126	V124-G212 WeakPolarHBondContact CG1-O 3.44Å; T125-G212 CarbonylContact C-O 3.2Å; T125-G212 VanDerWaalsContact C-O 3.27Å; T125-G212 PolarHBondContact O-N 3.38Å; Q126-G212 PolarHBondContact N-O 2.84Å
213	S	90.7	Very high	93.5	Very high	36 Å²	36	56.5 Å²	56.5	25%	0.252	31%	0.308	S	S	.	.			trans	-95.3	125.2	170.7	-167	0	0	0	0	109.4	L237 A238	S213-L237 CarbonylContact O-C 3.55Å; S213-L237 VanDerWaalsContact O-CA 3.3Å; S213-L237 WeakPolarHBondContact O-CA 3.33Å; S213-A238 PolarHBondContact O-N 3.11Å
214	V	92.3	Very high	92.9	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.6	175.5	-179.6	0	0	0	0	108.8	V101 V124 I235 L237 S279 L282	V101-V214 HydrophobicContact CB-CG2 4.41Å; V101-V214 HydrophobicContact CG1-CB 3.91Å; V101-V214 HydrophobicContact CG1-CG1 4.48Å; V101-V214 HydrophobicContact CG1-CG2 3.6Å; V101-V214 HydrophobicContact CG2-CG2 4Å; V124-V214 HydrophobicContact CB-CG2 4.19Å; V124-V214 HydrophobicContact CG1-CG2 3.72Å; V214-I235 HydrophobicContact CG1-CB 3.92Å; V214-I235 HydrophobicContact CG1-CD1 4.4Å; V214-I235 HydrophobicContact CG1-CG2 4.08Å; V214-I235 HydrophobicContact CG2-CD1 3.72Å; V214-L237 HydrophobicContact CG2-CD2 3.94Å; V214-S279 PolarHBondContact O-OG 2.87Å; V214-L282 HydrophobicContact CB-CD1 4.19Å; V214-L282 HydrophobicContact CG1-CD1 4.21Å; V214-L282 HydrophobicContact CG1-CD2 4Å; V214-L282 HydrophobicContact CG1-CG 4.35Å; V214-L282 WeakPolarHBondContact O-CD1 3.34Å
215	E	89.6	Confident	92.3	Very high	79 Å²	79	62 Å²	62	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-40.4	-179.9	-174.4	168.3	-159.6	0	0	112.3	R236 A238 G281 L282	E215-R236 PolarHBondContact N-O 2.64Å; E215-A238 HydrophobicContact CB-CB 4.19Å; E215-A238 WeakPolarHBondContact OE2-CA 3.33Å; E215-G281 CarbonylContact O-C 3.05Å; E215-G281 WeakPolarHBondContact O-CA 3.34Å; E215-L282 PolarHBondContact O-N 3.43Å
216	E	91.1	Very high	91.6	Very high	50 Å²	50	60.8 Å²	60.8	23%	0.234	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.3	-170.2	-167.1	-174.2	178.9	0	0	111.5	I235 R236	E216-I235 WeakPolarHBondContact O-CA 3.29Å; E216-R236 HydrophobicContact CB-CB 4.21Å; E216-R236 PolarHBondContact N-O 3.35Å; E216-R236 PolarHBondContact O-N 2.77Å; E216-R236 IonicContact OE2-CZ 3.61Å; E216-R236 IonicContact OE2-NH1 2.64Å; E216-R236 PolarHBondContact OE2-NH1 3.24Å
217	L	94.3	Very high	90.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.8	165.2	-61.2	177.5	0	0	0	109.8	V219 V232 I235 V249 L251 L282 T285 L286 L290 L464	L217-V219 PolarHBondContact O-N 2.95Å; L217-V232 HydrophobicContact CB-CG1 4.4Å; L217-V232 HydrophobicContact CD1-CG2 4.3Å; L217-V232 HydrophobicContact CD2-CG1 4.47Å; L217-I235 HydrophobicContact CD2-CG2 3.93Å; L217-V249 HydrophobicContact CD2-CG1 4.02Å; L217-L251 HydrophobicContact CD1-CD1 4.18Å; L217-L251 HydrophobicContact CD2-CD2 4.14Å; L217-L282 HydrophobicContact CD2-CD2 4.11Å; L217-L282 HydrophobicContact CG-CD2 3.92Å; L217-T285 HydrophobicContact CB-CG2 3.86Å; L217-T285 HydrophobicContact CD1-CG2 4.38Å; L217-T285 HydrophobicContact CG-CG2 4.38Å; L217-L286 HydrophobicContact CD1-CD2 4.41Å; L217-L290 HydrophobicContact CD1-CD1 4.36Å; L217-L464 HydrophobicContact CD1-CD1 3.96Å; L217-L464 HydrophobicContact CD1-CD2 4.13Å
218	L	94.2	Very high	90.1	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	106	175.5	-54.9	175	0	0	0	109.3	V232 T233 G234 R236 P243	L218-V232 CarbonylContact O-C 3.55Å; L218-V232 WeakPolarHBondContact O-CA 3.48Å; L218-T233 PolarHBondContact O-N 3.3Å; L218-T233 PolarHBondContact O-OG1 3.26Å; L218-G234 PolarHBondContact N-O 3.36Å; L218-R236 HydrophobicContact CD2-CB 4.44Å; L218-P243 HydrophobicContact CD1-CB 3.48Å; L218-P243 VanDerWaalsContact CD1-CB 3.48Å; L218-P243 HydrophobicContact CD2-CB 4.24Å; L218-P243 HydrophobicContact CG-CB 4.48Å
219	V	94.4	Very high	89.6	Confident	49 Å²	49	62.7 Å²	62.7	30%	0.297	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.8	-180	-173.3	0	0	0	0	110	L217 H230 R231 T285 L290	L217-V219 PolarHBondContact O-N 2.95Å; V219-H230 HydrophobicContact CG1-CB 4Å; V219-R231 CarbonylContact C-O 3.15Å; V219-R231 WeakPolarHBondContact CA-O 3.41Å; V219-T285 HydrophobicContact CG2-CG2 3.97Å; V219-L290 HydrophobicContact CG1-CD2 4Å; V219-L290 HydrophobicContact CG2-CD2 3.97Å
220	S	92	Very high	89.4	Confident	44 Å²	44	64 Å²	64	31%	0.308	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	173.2	174.9	73.9	0	0	0	0	110.9	R231 T233	S220-R231 PolarHBondContact N-O 3.17Å; S220-R231 PolarHBondContact O-N 3.02Å; S220-T233 VanDerWaalsContact OG-CG2 3.28Å; S220-T233 WeakPolarHBondContact OG-CG2 3.46Å
221	D	89.7	Confident	89.4	Confident	144 Å²	144	66.1 Å²	66.1	77%	0.77	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-57.3	144.2	171.9	-65.5	-45.3	0	0	0	111.7
222	P	91	Very high	89.5	Confident	42 Å²	42	61.2 Å²	61.2	27%	0.273	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.5	153.5	179.8	30.7	-35.2	0	0	0	111.1	P224 G228 R229	P222-P224 WeakPolarHBondContact O-CD 3.33Å; P222-G228 WeakPolarHBondContact CB-O 3.23Å; P222-R229 WeakPolarHBondContact CD-O 3.41Å; P222-R229 WeakPolarHBondContact CG-O 3.23Å
223	N	87.1	Confident	89.7	Confident	57 Å²	57	62.3 Å²	62.3	31%	0.305	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-71.2	121.3	166.4	-178.4	0.5	0	0	0	108.9	A225 E226 Q462	N223-A225 PolarHBondContact O-N 3.06Å; N223-A225 VanDerWaalsContact O-N 3.16Å; N223-A225 PolarHBondContact OD1-N 3.42Å; N223-E226 HydrophobicContact CB-CB 4.48Å; N223-E226 PolarHBondContact O-N 3.17Å; N223-Q462 PolarHBondContact O-NE2 3.29Å
224	P	85.1	Confident	89.9	Confident	130 Å²	130	60.6 Å²	60.6	84%	0.844	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-178.9	-19.8	30	0	0	0	113.9	P222 E226	P222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-E226 PolarHBondContact O-N 3.28Å
225	A	82.8	Confident	90	Very high	89 Å²	89	60.2 Å²	60.2	74%	0.736	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8	179.3	0	0	0	0	0	113.4	N223	N223-A225 PolarHBondContact O-N 3.06Å; N223-A225 VanDerWaalsContact O-N 3.16Å; N223-A225 PolarHBondContact OD1-N 3.42Å
226	E	80	Confident	90.2	Very high	72 Å²	72	61.1 Å²	61.1	34%	0.336	33%	0.332	S	S	.	.	S	Bend	trans	-126	148.8	-177.3	-73	-176.3	-129.9	0	0	111.4	N223 P224 Q462 R493	N223-E226 HydrophobicContact CB-CB 4.48Å; N223-E226 PolarHBondContact O-N 3.17Å; P224-E226 PolarHBondContact O-N 3.28Å; E226-Q462 VanDerWaalsContact CB-NE2 3.32Å; E226-Q462 PolarHBondContact O-NE2 3.01Å; E226-R493 IonicContact OE2-CZ 2.63Å; E226-R493 VanDerWaalsContact OE2-CZ 3.24Å; E226-R493 IonicContact OE2-NH1 3.98Å; E226-R493 PolarHBondContact OE2-NH1 3.05Å; E226-R493 IonicContact OE2-NH2 3.86Å; E226-R493 PolarHBondContact OE2-NH2 3.24Å
227	P	80.1	Confident	90.2	Very high	81 Å²	81	60 Å²	60	53%	0.526	33%	0.327	S	S	.	.	S	Bend	trans	-66.1	147.6	175.4	27.9	-34.1	0	0	0	111.5	Q462	P227-Q462 WeakPolarHBondContact O-CG 3.38Å; P227-Q462 PolarHBondContact O-NE2 3.32Å
228	G	83.3	Confident	89.8	Confident	29 Å²	29	61.9 Å²	61.9	30%	0.299	34%	0.343	S	S	.	.			trans	127	153.8	178.4	0	0	0	0	0	112.7	P222	P222-G228 WeakPolarHBondContact CB-O 3.23Å
229	R	87.9	Confident	89.1	Confident	185 Å²	185	68.7 Å²	68.7	70%	0.698	38%	0.38	S	S	*	.	S	Bend	trans	-97.8	-18.2	179.5	-64.2	177.5	-177.7	-175.5	-1.5	113.5	P222 N460	P222-R229 WeakPolarHBondContact CD-O 3.41Å; P222-R229 WeakPolarHBondContact CG-O 3.23Å; R229-N460 WeakPolarHBondContact CB-OD1 3.11Å; R229-N460 VanDerWaalsContact CD-OD1 3.23Å; R229-N460 WeakPolarHBondContact CD-OD1 3.3Å; R229-N460 WeakPolarHBondContact CG-OD1 3.41Å; R229-N460 PolarHBondContact N-O 3.24Å; R229-N460 PolarHBondContact N-OD1 2.91Å
230	H	92.8	Very high	88	Confident	50 Å²	50	67.7 Å²	67.7	23%	0.231	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.7	-177.4	-55.9	-69.9	0	0	0	110.4	V219 L290 N460 T461 Q462	V219-H230 HydrophobicContact CG1-CB 4Å; H230-L290 HydrophobicContact CB-CD2 3.65Å; H230-N460 PolarHBondContact N-O 2.79Å; H230-T461 HydrophobicContact CB-CG2 4.08Å; H230-T461 CarbonylContact O-C 3.52Å; H230-T461 WeakPolarHBondContact O-CA 3.37Å; H230-Q462 PolarHBondContact O-N 2.97Å
231	R	94.8	Very high	86.7	Confident	98 Å²	98	71.2 Å²	71.2	37%	0.37	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134	170.6	179.1	-180	177.3	-168.7	2.4	110.4	V219 S220 T233 Q462	V219-R231 CarbonylContact C-O 3.15Å; V219-R231 WeakPolarHBondContact CA-O 3.41Å; S220-R231 PolarHBondContact N-O 3.17Å; S220-R231 PolarHBondContact O-N 3.02Å; R231-T233 HydrophobicContact CG-CG2 4.13Å; R231-Q462 HydrophobicContact CB-CB 4.09Å; R231-Q462 HydrophobicContact CG-CB 4.13Å
232	V	95.8	Very high	86.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	171.7	173.4	0	0	0	0	109.2	L217 L218 V249 T461 Q462 L464	L217-V232 HydrophobicContact CB-CG1 4.4Å; L217-V232 HydrophobicContact CD1-CG2 4.3Å; L217-V232 HydrophobicContact CD2-CG1 4.47Å; L218-V232 CarbonylContact O-C 3.55Å; L218-V232 WeakPolarHBondContact O-CA 3.48Å; V232-V249 HydrophobicContact CG1-CB 4.02Å; V232-V249 HydrophobicContact CG1-CG2 3.6Å; V232-T461 HydrophobicContact CG2-CG2 3.65Å; V232-Q462 PolarHBondContact N-O 3.45Å; V232-L464 HydrophobicContact CB-CB 4.42Å; V232-L464 HydrophobicContact CG2-CB 4.04Å; V232-L464 HydrophobicContact CG2-CD2 4.35Å
233	T	94.6	Very high	86.4	Confident	40 Å²	40	71.8 Å²	71.8	25%	0.245	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	5.8	-174.2	57.3	0	0	0	0	113.7	L218 S220 R231 S245 A246	L218-T233 PolarHBondContact O-N 3.3Å; L218-T233 PolarHBondContact O-OG1 3.26Å; S220-T233 VanDerWaalsContact OG-CG2 3.28Å; S220-T233 WeakPolarHBondContact OG-CG2 3.46Å; R231-T233 HydrophobicContact CG-CG2 4.13Å; T233-S245 CarbonylContact O-C 3.51Å; T233-S245 WeakPolarHBondContact O-CA 3.37Å; T233-A246 CarbonylContact C-O 3.55Å; T233-A246 WeakPolarHBondContact CA-O 3.23Å; T233-A246 PolarHBondContact O-N 2.85Å
234	G	94.8	Very high	86.7	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-161	178.2	0	0	0	0	0	113.4	L218 I244	L218-G234 PolarHBondContact N-O 3.36Å; G234-I244 CarbonylContact C-O 3.51Å; G234-I244 WeakPolarHBondContact CA-O 3.45Å
235	I	95.1	Very high	87.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160	-177.3	61	162.9	0	0	0	111.9	I99 V101 V124 V214 E216 L217 L237 I244 V249	I99-I235 HydrophobicContact CD1-CD1 4.42Å; I99-I235 HydrophobicContact CD1-CG1 3.94Å; I99-I235 HydrophobicContact CG2-CD1 3.67Å; I99-I235 HydrophobicContact CG2-CG1 4.14Å; I99-I235 HydrophobicContact CG2-CG2 4.28Å; V101-I235 HydrophobicContact CG2-CG2 4.24Å; V124-I235 HydrophobicContact CB-CD1 4.49Å; V124-I235 HydrophobicContact CG2-CD1 3.81Å; V214-I235 HydrophobicContact CG1-CB 3.92Å; V214-I235 HydrophobicContact CG1-CD1 4.4Å; V214-I235 HydrophobicContact CG1-CG2 4.08Å; V214-I235 HydrophobicContact CG2-CD1 3.72Å; E216-I235 WeakPolarHBondContact O-CA 3.29Å; L217-I235 HydrophobicContact CD2-CG2 3.93Å; I235-L237 HydrophobicContact CD1-CD2 4.14Å; I235-I244 HydrophobicContact CG1-CB 4.21Å; I235-I244 PolarHBondContact N-O 2.82Å; I235-I244 PolarHBondContact O-N 3.06Å; I235-V249 HydrophobicContact CG2-CG1 4.11Å; I235-V249 HydrophobicContact CG2-CG2 4.31Å
236	R	93.3	Very high	87.9	Confident	98 Å²	98	61.6 Å²	61.6	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.2	167.5	-176.2	176.1	-71.2	150.2	-5.4	109.9	E215 E216 L218	E215-R236 PolarHBondContact N-O 2.64Å; E216-R236 HydrophobicContact CB-CB 4.21Å; E216-R236 PolarHBondContact N-O 3.35Å; E216-R236 PolarHBondContact O-N 2.77Å; E216-R236 IonicContact OE2-CZ 3.61Å; E216-R236 IonicContact OE2-NH1 2.64Å; E216-R236 PolarHBondContact OE2-NH1 3.24Å; L218-R236 HydrophobicContact CD2-CB 4.44Å
237	L	91.7	Very high	88.6	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.131	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.5	174.9	-57.2	179.6	0	0	0	110.1	V124 L210 S213 V214 I235 N239 G240 I244	V124-L237 HydrophobicContact CG1-CD2 3.8Å; L210-L237 HydrophobicContact CD2-CD1 3.83Å; S213-L237 CarbonylContact O-C 3.55Å; S213-L237 VanDerWaalsContact O-CA 3.3Å; S213-L237 WeakPolarHBondContact O-CA 3.33Å; V214-L237 HydrophobicContact CG2-CD2 3.94Å; I235-L237 HydrophobicContact CD1-CD2 4.14Å; L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 3.31Å; L237-G240 PolarHBondContact O-N 3.49Å; L237-G240 VanDerWaalsContact O-N 3.09Å; L237-I244 HydrophobicContact CD1-CD1 4.1Å; L237-I244 HydrophobicContact CG-CD1 4.36Å
238	A	85.4	Confident	89.4	Confident	40 Å²	40	55.7 Å²	55.7	33%	0.331	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.2	-178.5	0	0	0	0	0	113.8	S213 E215	S213-A238 PolarHBondContact O-N 3.11Å; E215-A238 HydrophobicContact CB-CB 4.19Å; E215-A238 WeakPolarHBondContact OE2-CA 3.33Å
239	N	79.2	Confident	90.1	Very high	169 Å²	169	54.3 Å²	54.3	90%	0.904	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	11.2	179.7	-60.8	-8.5	0	0	0	112.3	L237	L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 3.31Å
240	G	71.3	Confident	90.6	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	26%	0.255	S	S	.	.			trans	-100.7	123.2	-175.3	0	0	0	0	0	111.6	L237 Q242	L237-G240 PolarHBondContact O-N 3.49Å; L237-G240 VanDerWaalsContact O-N 3.09Å; G240-Q242 VanDerWaalsContact C-N 3.31Å
241	S	64.5	Low	90.8	Very high	119 Å²	119	43.1 Å²	43.1	83%	0.832	24%	0.244	S	C	*	.	S	Bend	trans	-73	-22.3	175.4	45.5	0	0	0	0	113.4
242	Q	83.5	Confident	90.9	Very high	146 Å²	146	38.9 Å²	38.9	68%	0.682	23%	0.229	S	C	*	.	S	Bend	trans	-114.4	136.1	-177.7	-66.8	-66.1	-21	0	0	112.5	G240	G240-Q242 VanDerWaalsContact C-N 3.31Å
243	P	91	Very high	90.7	Very high	52 Å²	52	39.4 Å²	39.4	34%	0.338	23%	0.232	S	C	.	.			trans	-67.5	146.7	171.6	26.6	-31.2	0	0	0	111.7	L218	L218-P243 HydrophobicContact CD1-CB 3.48Å; L218-P243 VanDerWaalsContact CD1-CB 3.48Å; L218-P243 HydrophobicContact CD2-CB 4.24Å; L218-P243 HydrophobicContact CG-CB 4.48Å
244	I	94.6	Very high	90.4	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.8	173.3	-53.2	176.5	0	0	0	108	Q94 Y96 I99 L122 L210 G234 I235 L237	Q94-I244 HydrophobicContact CB-CG2 4.28Å; Y96-I244 HydrophobicContact CD2-CG2 3.74Å; Y96-I244 HydrophobicContact CE2-CG2 3.96Å; I99-I244 HydrophobicContact CD1-CB 4.3Å; I99-I244 HydrophobicContact CD1-CG2 3.75Å; L122-I244 HydrophobicContact CD2-CD1 4.07Å; L122-I244 HydrophobicContact CD2-CG2 3.92Å; L210-I244 HydrophobicContact CD2-CD1 3.96Å; G234-I244 CarbonylContact C-O 3.51Å; G234-I244 WeakPolarHBondContact CA-O 3.45Å; I235-I244 HydrophobicContact CG1-CB 4.21Å; I235-I244 PolarHBondContact N-O 2.82Å; I235-I244 PolarHBondContact O-N 3.06Å; L237-I244 HydrophobicContact CD1-CD1 4.1Å; L237-I244 HydrophobicContact CG-CD1 4.36Å
245	S	95.5	Very high	89.9	Confident	48 Å²	48	38.6 Å²	38.6	34%	0.336	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.8	-175.6	-58.3	0	0	0	0	112.1	Q94 R95 Y96 T233	Q94-S245 PolarHBondContact O-N 2.7Å; R95-S245 WeakPolarHBondContact CA-O 3.13Å; Y96-S245 PolarHBondContact N-O 2.91Å; T233-S245 CarbonylContact O-C 3.51Å; T233-S245 WeakPolarHBondContact O-CA 3.37Å
246	A	96.4	Very high	89.6	Confident	7 Å²	7	40 Å²	40	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.8	169.5	0	0	0	0	0	114.4	Y96 I99 T233	Y96-A246 WeakPolarHBondContact O-CA 3.32Å; I99-A246 HydrophobicContact CB-CB 4.2Å; I99-A246 HydrophobicContact CD1-CB 3.43Å; I99-A246 VanDerWaalsContact CD1-CB 3.43Å; I99-A246 HydrophobicContact CG1-CB 3.53Å; T233-A246 CarbonylContact C-O 3.55Å; T233-A246 WeakPolarHBondContact CA-O 3.23Å; T233-A246 PolarHBondContact O-N 2.85Å
247	S	94.6	Very high	89.3	Confident	29 Å²	29	35.4 Å²	35.4	20%	0.203	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-34.1	175	-59.1	0	0	0	0	112.2	Y96 D97	Y96-S247 PolarHBondContact O-N 3.04Å; D97-S247 WeakPolarHBondContact O-CB 3.4Å; D97-S247 PolarHBondContact O-N 3.15Å
248	S	97	Very high	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148	176.9	-63.3	0	0	0	0	111.4	D97 V98 I99 G463 A490	D97-S248 PolarHBondContact O-N 3.11Å; V98-S248 WeakPolarHBondContact CA-O 3.36Å; I99-S248 PolarHBondContact N-O 2.78Å; S248-G463 CarbonylContact C-O 3.58Å; S248-G463 VanDerWaalsContact CA-O 3.32Å; S248-G463 WeakPolarHBondContact CA-O 3.31Å; S248-A490 PolarHBondContact OG-O 3.03Å
249	V	98.2	Very high	89	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.3	175.1	-179.2	0	0	0	0	110	I99 V101 L217 V232 I235 L251 G463 F465	I99-V249 HydrophobicContact CB-CG2 4.4Å; I99-V249 CarbonylContact O-C 3.58Å; I99-V249 VanDerWaalsContact O-CA 3.28Å; I99-V249 WeakPolarHBondContact O-CA 3.3Å; V101-V249 HydrophobicContact CG2-CG1 4.14Å; L217-V249 HydrophobicContact CD2-CG1 4.02Å; V232-V249 HydrophobicContact CG1-CB 4.02Å; V232-V249 HydrophobicContact CG1-CG2 3.6Å; I235-V249 HydrophobicContact CG2-CG1 4.11Å; I235-V249 HydrophobicContact CG2-CG2 4.31Å; V249-L251 HydrophobicContact CG1-CD2 4.24Å; V249-G463 PolarHBondContact N-O 2.85Å; V249-F465 PolarHBondContact O-N 3.04Å
250	V	98.5	Very high	89.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.3	174.2	-168.3	0	0	0	0	109.5	V98 I99 V100 V101 A110 T252 F465 A467 A486 A490	V98-V250 HydrophobicContact CG1-CG2 4.07Å; I99-V250 PolarHBondContact O-N 2.79Å; V100-V250 WeakPolarHBondContact CA-O 3.19Å; V100-V250 HydrophobicContact CG1-CB 4.47Å; V100-V250 HydrophobicContact CG2-CB 4.24Å; V100-V250 HydrophobicContact CG2-CG2 4.34Å; V101-V250 PolarHBondContact N-O 2.98Å; A110-V250 HydrophobicContact CB-CG1 4.18Å; V250-T252 HydrophobicContact CG1-CG2 4Å; V250-F465 CarbonylContact C-O 3.46Å; V250-F465 WeakPolarHBondContact CA-O 3.37Å; V250-F465 HydrophobicContact CB-CB 4.41Å; V250-F465 HydrophobicContact CG1-CB 4.22Å; V250-F465 HydrophobicContact CG2-CB 4.13Å; V250-A467 HydrophobicContact CG1-CB 4.47Å; V250-A486 HydrophobicContact CG1-CB 3.97Å; V250-A490 HydrophobicContact CG2-CB 3.54Å
251	L	97.4	Very high	90.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.3	175.3	-67.1	-174.1	0	0	0	111.5	V101 L217 V249 L286 L464 F465 L466 A467 I470	V101-L251 HydrophobicContact CB-CD2 3.67Å; V101-L251 HydrophobicContact CG1-CD2 4.11Å; V101-L251 HydrophobicContact CG2-CD2 3.78Å; L217-L251 HydrophobicContact CD1-CD1 4.18Å; L217-L251 HydrophobicContact CD2-CD2 4.14Å; V249-L251 HydrophobicContact CG1-CD2 4.24Å; L251-L286 HydrophobicContact CD1-CD1 4.3Å; L251-L286 HydrophobicContact CD1-CD2 4Å; L251-L464 HydrophobicContact CD1-CD1 4.08Å; L251-L464 HydrophobicContact CG-CD1 3.99Å; L251-F465 PolarHBondContact N-O 2.68Å; L251-L466 HydrophobicContact CB-CD2 3.73Å; L251-L466 HydrophobicContact CD1-CD2 3.84Å; L251-L466 HydrophobicContact CG-CD2 4.12Å; L251-A467 PolarHBondContact O-N 2.86Å; L251-I470 HydrophobicContact CB-CD1 4.23Å; L251-I470 HydrophobicContact CD1-CD1 4.45Å
252	T	96.3	Very high	91.6	Very high	8 Å²	8	22 Å²	22	5%	0.049	13%	0.131	C	C	.	.			trans	-135	45.5	-179.9	64.5	0	0	0	0	111.5	V101 G102 A106 G107 V250 G254 A467	V101-T252 CarbonylContact O-C 3.51Å; V101-T252 WeakPolarHBondContact O-CA 3.32Å; V101-T252 PolarHBondContact O-N 3.41Å; V101-T252 PolarHBondContact O-OG1 2.8Å; G102-T252 PolarHBondContact O-OG1 2.85Å; A106-T252 HydrophobicContact CB-CG2 3.7Å; G107-T252 VanDerWaalsContact CA-OG1 3.27Å; G107-T252 WeakPolarHBondContact CA-OG1 3.34Å; G107-T252 PolarHBondContact N-OG1 2.9Å; V250-T252 HydrophobicContact CG1-CG2 4Å; T252-G254 PolarHBondContact O-N 2.68Å; T252-A467 HydrophobicContact CG2-CB 4.03Å
253	T	90.8	Very high	91.8	Very high	12 Å²	12	16.4 Å²	16.4	7%	0.074	11%	0.107	C	C	.	.			trans	-63.7	-6	-171.2	55.6	0	0	0	0	115.2	T255 F256 L282	T253-T255 PolarHBondContact O-N 2.91Å; T253-F256 VanDerWaalsContact O-CB 3.29Å; T253-F256 WeakPolarHBondContact O-CB 3.43Å; T253-F256 VanDerWaalsContact O-CD2 3.31Å; T253-F256 WeakPolarHBondContact O-CD2 3.18Å; T253-F256 PolarHBondContact O-N 2.67Å; T253-L282 HydrophobicContact CG2-CD1 4.43Å
254	G	88.9	Confident	91.6	Very high	13 Å²	13	14 Å²	14	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-131.2	177.2	0	0	0	0	0	112.2	T252 F256	T252-G254 PolarHBondContact O-N 2.68Å; G254-F256 VanDerWaalsContact C-N 3.33Å
255	T	84.9	Confident	91.1	Very high	10 Å²	10	21.5 Å²	21.5	6%	0.061	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6.8	175.2	55.6	0	0	0	0	113.6	T253 G271 V442 Y444	T253-T255 PolarHBondContact O-N 2.91Å; T255-G271 VanDerWaalsContact O-CA 3.29Å; T255-G271 WeakPolarHBondContact O-CA 3.38Å; T255-G271 PolarHBondContact OG1-O 2.82Å; T255-V442 HydrophobicContact CG2-CG1 4.02Å; T255-Y444 HydrophobicContact CG2-CD1 3.77Å; T255-Y444 HydrophobicContact CG2-CE1 3.82Å; T255-Y444 HydrophobicContact CG2-CG 4.35Å; T255-Y444 WeakPolarHBondContact O-CB 3.38Å
256	F	87.4	Confident	90.7	Very high	28 Å²	28	23.8 Å²	23.8	12%	0.123	13%	0.131	C	C	.	.			trans	-86.6	-27.4	-168.8	-66.6	-98.5	0	0	0	113.3	T253 G254 S258 G259 R272 D275 S278	T253-F256 VanDerWaalsContact O-CB 3.29Å; T253-F256 WeakPolarHBondContact O-CB 3.43Å; T253-F256 VanDerWaalsContact O-CD2 3.31Å; T253-F256 WeakPolarHBondContact O-CD2 3.18Å; T253-F256 PolarHBondContact O-N 2.67Å; G254-F256 VanDerWaalsContact C-N 3.33Å; F256-S258 PolarHBondContact O-N 3.44Å; F256-S258 VanDerWaalsContact O-N 3.14Å; F256-G259 PolarHBondContact O-N 3.43Å; F256-R272 HydrophobicContact CE1-CG 4.37Å; F256-R272 HydrophobicContact CE2-CG 4.23Å; F256-R272 HydrophobicContact CZ-CB 4.45Å; F256-R272 HydrophobicContact CZ-CG 3.82Å; F256-D275 HydrophobicContact CE1-CB 3.86Å; F256-S278 WeakPolarHBondContact CB-OG 3.45Å; F256-S278 WeakPolarHBondContact O-CB 3.18Å; F256-S278 PolarHBondContact O-OG 3.36Å
257	L	87.2	Confident	90.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	112.8	-176.8	-170.5	69.5	0	0	0	110.9	G259 L282 T283 L286 D445 I470	L257-G259 PolarHBondContact O-N 3.05Å; L257-G259 VanDerWaalsContact O-N 3.13Å; L257-L282 HydrophobicContact CD1-CB 3.84Å; L257-T283 VanDerWaalsContact CD1-OG1 3.23Å; L257-T283 WeakPolarHBondContact CD1-OG1 3.4Å; L257-T283 WeakPolarHBondContact CG-OG1 3.08Å; L257-L286 HydrophobicContact CD2-CD1 3.82Å; L257-D445 HydrophobicContact CD2-CB 4.06Å; L257-D445 HydrophobicContact CG-CB 4.15Å; L257-D445 PolarHBondContact O-N 3.36Å; L257-I470 HydrophobicContact CD2-CD1 4.17Å
258	S	85.1	Confident	90	Very high	32 Å²	32	28.8 Å²	28.8	22%	0.224	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	36.6	-172.2	-70.7	0	0	0	0	113.6	F256 T283	F256-S258 PolarHBondContact O-N 3.44Å; F256-S258 VanDerWaalsContact O-N 3.14Å; S258-T283 PolarHBondContact OG-OG1 3.04Å
259	G	87.2	Confident	89.6	Confident	6 Å²	6	33.2 Å²	33.2	6%	0.062	19%	0.194	C	C	.	.			trans	-65.5	136.5	-175.4	0	0	0	0	0	113.3	F256 L257 G270 Q443	F256-G259 PolarHBondContact O-N 3.43Å; L257-G259 PolarHBondContact O-N 3.05Å; L257-G259 VanDerWaalsContact O-N 3.13Å; G259-G270 CarbonylContact C-O 3.27Å; G259-G270 PolarHBondContact O-N 3.21Å; G259-Q443 CarbonylContact C-O 3.59Å; G259-Q443 VanDerWaalsContact CA-O 3.32Å; G259-Q443 WeakPolarHBondContact CA-O 3.47Å
260	S	89.6	Confident	89	Confident	29 Å²	29	33.3 Å²	33.3	20%	0.203	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.9	172.9	-60	0	0	0	0	110.1	F262 G270 V442 Q443	S260-F262 WeakPolarHBondContact O-CD2 2.92Å; S260-F262 WeakPolarHBondContact O-CE2 3.5Å; S260-G270 PolarHBondContact N-O 3.14Å; S260-V442 WeakPolarHBondContact O-CA 3.19Å; S260-Q443 PolarHBondContact N-O 3.31Å; S260-Q443 PolarHBondContact O-N 3.23Å
261	L	90.1	Very high	88.2	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	143.9	175.6	-54.6	175.5	0	0	0	109.8	S267 S268 I273 Y440 G441 V442	L261-S267 WeakPolarHBondContact O-CA 3.31Å; L261-S268 PolarHBondContact N-O 3.39Å; L261-S268 PolarHBondContact O-N 2.84Å; L261-I273 HydrophobicContact CD1-CB 4.46Å; L261-Y440 HydrophobicContact CD2-CD2 3.79Å; L261-Y440 HydrophobicContact CD2-CE2 3.64Å; L261-G441 CarbonylContact C-O 3.59Å; L261-G441 WeakPolarHBondContact CA-O 3.5Å; L261-V442 HydrophobicContact CD2-CB 4.08Å; L261-V442 HydrophobicContact CD2-CG2 4.03Å
262	F	89	Confident	87.7	Confident	22 Å²	22	34.8 Å²	34.8	10%	0.096	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.4	-179.8	-67.2	-91.2	0	0	0	110.5	S260 H366 G441 Q443	S260-F262 WeakPolarHBondContact O-CD2 2.92Å; S260-F262 WeakPolarHBondContact O-CE2 3.5Å; F262-H366 AromaticContact CD2-ND1 3.82Å; F262-H366 AromaticContact CG-ND1 3.74Å; F262-G441 PolarHBondContact N-O 3.31Å; F262-G441 PolarHBondContact O-N 3.05Å; F262-Q443 HydrophobicContact CD2-CB 4.33Å; F262-Q443 HydrophobicContact CE2-CB 3.58Å; F262-Q443 HydrophobicContact CZ-CB 4.45Å
263	V	88.9	Confident	87.1	Confident	28 Å²	28	38.3 Å²	38.3	17%	0.17	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	107.7	171.4	-175.9	0	0	0	0	108.1	R265 T266 P417	V263-R265 PolarHBondContact O-N 2.8Å; V263-T266 PolarHBondContact N-O 2.98Å; V263-T266 PolarHBondContact O-N 2.95Å; V263-T266 PolarHBondContact O-OG1 3.44Å; V263-P417 HydrophobicContact CG1-CG 4.21Å
264	G	86.4	Confident	86.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	-115.3	-171.2	0	0	0	0	0	111.4	L363 C365 T414	G264-L363 CarbonylContact C-O 3.5Å; G264-C365 PolarHBondContact O-SG 3.22Å; G264-T414 PolarHBondContact N-O 2.94Å
265	R	84.3	Confident	86.1	Confident	164 Å²	164	42 Å²	42	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.2	175.4	-63.6	-175.8	174.9	177	-1.3	113.6	V263 H362 L363	V263-R265 PolarHBondContact O-N 2.8Å; R265-H362 PolarHBondContact NE-O 2.86Å; R265-H362 PolarHBondContact NH2-O 3.43Å; R265-L363 WeakPolarHBondContact CG-O 3.39Å; R265-L363 PolarHBondContact N-O 3.26Å
266	T	86	Confident	85.9	Confident	96 Å²	96	44.1 Å²	44.1	59%	0.589	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	136.7	-178.6	64.7	0	0	0	0	110.1	V263	V263-T266 PolarHBondContact N-O 2.98Å; V263-T266 PolarHBondContact O-N 2.95Å; V263-T266 PolarHBondContact O-OG1 3.44Å
267	S	87.4	Confident	85.4	Confident	84 Å²	84	46.2 Å²	46.2	59%	0.587	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	142	170.3	65.6	0	0	0	0	110.4	L261	L261-S267 WeakPolarHBondContact O-CA 3.31Å
268	S	88.8	Confident	84.7	Confident	56 Å²	56	47.5 Å²	47.5	39%	0.392	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144	176.3	64.1	0	0	0	0	110.3	L261	L261-S268 PolarHBondContact N-O 3.39Å; L261-S268 PolarHBondContact O-N 2.84Å
269	P	88.6	Confident	83.8	Confident	94 Å²	94	47 Å²	47	61%	0.61	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.8	176.8	30.8	-35.1	0	0	0	110.1	P277	P269-P277 HydrophobicContact CB-CB 4.09Å
270	G	85.3	Confident	83.2	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.01	31%	0.313	C	S	.	.			trans	155	147.2	-178.7	0	0	0	0	0	113.3	G259 S260	G259-G270 CarbonylContact C-O 3.27Å; G259-G270 PolarHBondContact O-N 3.21Å; S260-G270 PolarHBondContact N-O 3.14Å
271	G	83.5	Confident	82.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-86.4	-28.3	174.7	0	0	0	0	0	113.7	T255	T255-G271 VanDerWaalsContact O-CA 3.29Å; T255-G271 WeakPolarHBondContact O-CA 3.38Å; T255-G271 PolarHBondContact OG1-O 2.82Å
272	R	85.4	Confident	82.8	Confident	32 Å²	32	48.9 Å²	48.9	12%	0.121	31%	0.306	C	S	.	.	S	Bend	trans	-146.1	153.4	178.2	-62.4	-179.6	-176.3	173	-6.5	108.7	S135 F256 G274 D275	S135-R272 PolarHBondContact OG-NE 3.38Å; S135-R272 PolarHBondContact OG-NH1 3.1Å; S135-R272 PolarHBondContact OG-NH2 3.31Å; S135-R272 VanDerWaalsContact OG-NH2 3.08Å; F256-R272 HydrophobicContact CE1-CG 4.37Å; F256-R272 HydrophobicContact CE2-CG 4.23Å; F256-R272 HydrophobicContact CZ-CB 4.45Å; F256-R272 HydrophobicContact CZ-CG 3.82Å; R272-G274 PolarHBondContact O-N 2.74Å; R272-D275 HydrophobicContact CB-CB 4.33Å; R272-D275 PolarHBondContact O-N 3.38Å
273	I	83.8	Confident	82.6	Confident	82 Å²	82	48 Å²	48	42%	0.421	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	129.4	177.8	-161.1	167.1	0	0	0	109.9	L261 D275 T437 Y440	L261-I273 HydrophobicContact CD1-CB 4.46Å; I273-D275 VanDerWaalsContact C-N 3.32Å; I273-D275 PolarHBondContact O-N 3.43Å; I273-T437 HydrophobicContact CD1-CG2 4.4Å; I273-T437 HydrophobicContact CG2-CG2 4.44Å; I273-Y440 HydrophobicContact CB-CD1 4.37Å; I273-Y440 HydrophobicContact CB-CE1 3.87Å; I273-Y440 HydrophobicContact CD1-CD1 4.4Å; I273-Y440 HydrophobicContact CG2-CD1 4.5Å; I273-Y440 HydrophobicContact CG2-CE1 3.71Å
274	G	79.6	Confident	82.6	Confident	73 Å²	73	51.7 Å²	51.7	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-3.4	-178.5	0	0	0	0	0	116.2	R272	R272-G274 PolarHBondContact O-N 2.74Å
275	D	80.5	Confident	82.8	Confident	30 Å²	30	51.8 Å²	51.8	16%	0.16	32%	0.319	C	S	.	.	S	Bend	trans	-95.6	151	174.3	-78.5	-32	0	0	0	112.2	K127 F256 R272 I273	K127-D275 IonicContact NZ-OD1 3.44Å; K127-D275 PolarHBondContact NZ-OD1 2.82Å; F256-D275 HydrophobicContact CE1-CB 3.86Å; R272-D275 HydrophobicContact CB-CB 4.33Å; R272-D275 PolarHBondContact O-N 3.38Å; I273-D275 VanDerWaalsContact C-N 3.32Å; I273-D275 PolarHBondContact O-N 3.43Å
276	A	79.2	Confident	83.1	Confident	54 Å²	54	44 Å²	44	45%	0.446	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.6	148.2	175.6	0	0	0	0	0	110.6
277	P	77.6	Confident	83.4	Confident	72 Å²	72	44.8 Å²	44.8	47%	0.468	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.2	150.5	173.1	28.8	-34.3	0	0	0	110.6	P269	P269-P277 HydrophobicContact CB-CB 4.09Å
278	S	72	Confident	83.5	Confident	29 Å²	29	45.9 Å²	45.9	20%	0.203	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.8	152.8	168	-63.5	0	0	0	0	110.9	F256	F256-S278 WeakPolarHBondContact CB-OG 3.45Å; F256-S278 WeakPolarHBondContact O-CB 3.18Å; F256-S278 PolarHBondContact O-OG 3.36Å
279	S	66.8	Low	83.6	Confident	21 Å²	21	47.6 Å²	47.6	15%	0.147	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-53.2	140.7	161.5	52	0	0	0	0	110.8	V214 G281	V214-S279 PolarHBondContact O-OG 2.87Å; S279-G281 VanDerWaalsContact C-N 3.28Å
280	S	74.1	Confident	83.7	Confident	72 Å²	72	43.1 Å²	43.1	50%	0.503	25%	0.253	S	S	.	.	S	Bend	trans	-73.8	-20.9	173.7	49.4	0	0	0	0	112.8	L282 T283 Q284	S280-L282 PolarHBondContact O-N 3.01Å; S280-T283 PolarHBondContact O-N 2.76Å; S280-Q284 PolarHBondContact O-N 3.46Å
281	G	82.9	Confident	84.1	Confident	8 Å²	8	45.7 Å²	45.7	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-43.5	-173.7	0	0	0	0	0	113.5	E215 S279 T283 Q284 T285	E215-G281 CarbonylContact O-C 3.05Å; E215-G281 WeakPolarHBondContact O-CA 3.34Å; S279-G281 VanDerWaalsContact C-N 3.28Å; G281-T283 VanDerWaalsContact C-N 3.31Å; G281-T283 PolarHBondContact O-N 3.09Å; G281-Q284 WeakPolarHBondContact O-CB 3.36Å; G281-Q284 PolarHBondContact O-N 3.09Å; G281-Q284 VanDerWaalsContact O-N 3.08Å; G281-T285 PolarHBondContact O-N 2.8Å; G281-T285 PolarHBondContact O-OG1 2.79Å
282	L	88.1	Confident	84.5	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-40.3	179.6	-80.5	175.9	0	0	0	112.3	V214 E215 L217 T253 L257 S280 Q284 T285 L286	V214-L282 HydrophobicContact CB-CD1 4.19Å; V214-L282 HydrophobicContact CG1-CD1 4.21Å; V214-L282 HydrophobicContact CG1-CD2 4Å; V214-L282 HydrophobicContact CG1-CG 4.35Å; V214-L282 WeakPolarHBondContact O-CD1 3.34Å; E215-L282 PolarHBondContact O-N 3.43Å; L217-L282 HydrophobicContact CD2-CD2 4.11Å; L217-L282 HydrophobicContact CG-CD2 3.92Å; T253-L282 HydrophobicContact CG2-CD1 4.43Å; L257-L282 HydrophobicContact CD1-CB 3.84Å; S280-L282 PolarHBondContact O-N 3.01Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-T285 PolarHBondContact O-N 2.97Å; L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 WeakPolarHBondContact O-CG 3.13Å; L282-L286 PolarHBondContact O-N 3.02Å
283	T	85.8	Confident	84.9	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-41.2	176.6	-64.7	0	0	0	0	111	L257 S258 S280 G281 L286 R287 D445	L257-T283 VanDerWaalsContact CD1-OG1 3.23Å; L257-T283 WeakPolarHBondContact CD1-OG1 3.4Å; L257-T283 WeakPolarHBondContact CG-OG1 3.08Å; S258-T283 PolarHBondContact OG-OG1 3.04Å; S280-T283 PolarHBondContact O-N 2.76Å; G281-T283 VanDerWaalsContact C-N 3.31Å; G281-T283 PolarHBondContact O-N 3.09Å; T283-L286 PolarHBondContact O-N 3.32Å; T283-R287 WeakPolarHBondContact O-CB 3.34Å; T283-R287 PolarHBondContact O-N 3.14Å; T283-D445 VanDerWaalsContact CG2-OD2 3.24Å; T283-D445 WeakPolarHBondContact CG2-OD2 3.13Å
284	Q	87.8	Confident	85.2	Confident	104 Å²	104	49.5 Å²	49.5	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-45.2	176.6	-68.1	171.6	-9.2	0	0	111.1	S280 G281 L282 L286 R287 D288	S280-Q284 PolarHBondContact O-N 3.46Å; G281-Q284 WeakPolarHBondContact O-CB 3.36Å; G281-Q284 PolarHBondContact O-N 3.09Å; G281-Q284 VanDerWaalsContact O-N 3.08Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-L286 VanDerWaalsContact C-N 3.34Å; Q284-L286 PolarHBondContact O-N 2.84Å; Q284-R287 PolarHBondContact O-N 3.26Å; Q284-D288 WeakPolarHBondContact O-CA 3.07Å; Q284-D288 VanDerWaalsContact O-CB 3.26Å; Q284-D288 WeakPolarHBondContact O-CB 3.47Å; Q284-D288 PolarHBondContact O-N 3.13Å
285	T	90.8	Very high	85.7	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.025	27%	0.27	C	S	.	.	I	π-helix	trans	-59.7	-44.6	176.1	-51.6	0	0	0	0	111.8	L217 V219 G281 L282 Q289 L290	L217-T285 HydrophobicContact CB-CG2 3.86Å; L217-T285 HydrophobicContact CD1-CG2 4.38Å; L217-T285 HydrophobicContact CG-CG2 4.38Å; V219-T285 HydrophobicContact CG2-CG2 3.97Å; G281-T285 PolarHBondContact O-N 2.8Å; G281-T285 PolarHBondContact O-OG1 2.79Å; L282-T285 PolarHBondContact O-N 2.97Å; T285-Q289 HydrophobicContact CG2-CB 4.38Å; T285-Q289 WeakPolarHBondContact O-CB 3.19Å; T285-Q289 PolarHBondContact O-N 2.81Å; T285-L290 PolarHBondContact O-N 3.34Å
286	L	92.1	Very high	86.1	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.284	C	S	.	.	I	π-helix	trans	-65.3	-42.6	-179.7	-68.9	168.7	0	0	0	112.4	L217 L251 L257 L282 T283 Q284 L290 L292 V447 L464 I470	L217-L286 HydrophobicContact CD1-CD2 4.41Å; L251-L286 HydrophobicContact CD1-CD1 4.3Å; L251-L286 HydrophobicContact CD1-CD2 4Å; L257-L286 HydrophobicContact CD2-CD1 3.82Å; L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 WeakPolarHBondContact O-CG 3.13Å; L282-L286 PolarHBondContact O-N 3.02Å; T283-L286 PolarHBondContact O-N 3.32Å; Q284-L286 VanDerWaalsContact C-N 3.34Å; Q284-L286 PolarHBondContact O-N 2.84Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L286-L292 HydrophobicContact CB-CD1 4.45Å; L286-L292 HydrophobicContact CD2-CD1 3.74Å; L286-L292 VanDerWaalsContact O-CB 3.26Å; L286-L292 WeakPolarHBondContact O-CB 3.17Å; L286-L292 WeakPolarHBondContact O-CG 3.41Å; L286-L292 PolarHBondContact O-N 3.4Å; L286-V447 HydrophobicContact CD1-CG2 4.47Å; L286-L464 HydrophobicContact CD2-CD2 4.3Å; L286-I470 HydrophobicContact CD1-CD1 4.46Å
287	R	90.9	Very high	86.5	Confident	112 Å²	112	49.3 Å²	49.3	42%	0.423	27%	0.265	S	S	.	.	I	π-helix	trans	-83.4	-54.2	-176.1	-174	-172.6	-60.9	140.9	4.3	112.3	T283 Q284 G291 D445	T283-R287 WeakPolarHBondContact O-CB 3.34Å; T283-R287 PolarHBondContact O-N 3.14Å; Q284-R287 PolarHBondContact O-N 3.26Å; R287-G291 VanDerWaalsContact O-CA 3.26Å; R287-G291 WeakPolarHBondContact O-CA 3.23Å; R287-G291 PolarHBondContact O-N 2.66Å; R287-D445 IonicContact NH2-OD2 3.35Å; R287-D445 PolarHBondContact NH2-OD2 3.3Å
288	D	90.3	Very high	86.8	Confident	107 Å²	107	47.9 Å²	47.9	57%	0.572	25%	0.25	S	C	*	.	I	π-helix	trans	-88.4	-39.7	-164.2	-50.9	-32.2	0	0	0	111.3	Q284	Q284-D288 WeakPolarHBondContact O-CA 3.07Å; Q284-D288 VanDerWaalsContact O-CB 3.26Å; Q284-D288 WeakPolarHBondContact O-CB 3.47Å; Q284-D288 PolarHBondContact O-N 3.13Å
289	Q	90.4	Very high	87.5	Confident	91 Å²	91	47.4 Å²	47.4	43%	0.425	25%	0.246	S	C	.	.	I	π-helix	trans	-86.8	-46.9	178.6	-63.1	-176.4	2.6	0	0	113	T285	T285-Q289 HydrophobicContact CG2-CB 4.38Å; T285-Q289 WeakPolarHBondContact O-CB 3.19Å; T285-Q289 PolarHBondContact O-N 2.81Å
290	L	92.1	Very high	88.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-88.8	-9.9	-176.5	-62.1	-180	0	0	0	113.8	L217 V219 H230 T285 L286 L292 T461 L464	L217-L290 HydrophobicContact CD1-CD1 4.36Å; V219-L290 HydrophobicContact CG1-CD2 4Å; V219-L290 HydrophobicContact CG2-CD2 3.97Å; H230-L290 HydrophobicContact CB-CD2 3.65Å; T285-L290 PolarHBondContact O-N 3.34Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L290-L292 VanDerWaalsContact C-N 3.27Å; L290-L292 HydrophobicContact CB-CD1 4.3Å; L290-L292 HydrophobicContact CB-CG 3.95Å; L290-L292 HydrophobicContact CD1-CD1 4.36Å; L290-L292 PolarHBondContact O-N 3.33Å; L290-T461 HydrophobicContact CD1-CG2 4.21Å; L290-T461 HydrophobicContact CD2-CG2 3.87Å; L290-L464 HydrophobicContact CD1-CD2 3.62Å
291	G	92.1	Very high	89.3	Confident	55 Å²	55	44.4 Å²	44.4	57%	0.567	23%	0.228	S	C	*	.			trans	65.5	25.3	178.8	0	0	0	0	0	114.1	R287	R287-G291 VanDerWaalsContact O-CA 3.26Å; R287-G291 WeakPolarHBondContact O-CA 3.23Å; R287-G291 PolarHBondContact O-N 2.66Å
292	L	93	Very high	89.9	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	22%	0.224	C	C	.	.			trans	-77.1	139.2	-176.8	-58.2	177.5	0	0	0	111.3	L286 L290 V294 V447 V458	L286-L292 HydrophobicContact CB-CD1 4.45Å; L286-L292 HydrophobicContact CD2-CD1 3.74Å; L286-L292 VanDerWaalsContact O-CB 3.26Å; L286-L292 WeakPolarHBondContact O-CB 3.17Å; L286-L292 WeakPolarHBondContact O-CG 3.41Å; L286-L292 PolarHBondContact O-N 3.4Å; L290-L292 VanDerWaalsContact C-N 3.27Å; L290-L292 HydrophobicContact CB-CD1 4.3Å; L290-L292 HydrophobicContact CB-CG 3.95Å; L290-L292 HydrophobicContact CD1-CD1 4.36Å; L290-L292 PolarHBondContact O-N 3.33Å; L292-V294 PolarHBondContact O-N 2.83Å; L292-V447 HydrophobicContact CB-CG1 4.26Å; L292-V447 HydrophobicContact CD1-CG1 4.26Å; L292-V458 HydrophobicContact CD1-CG1 4.39Å; L292-V458 HydrophobicContact CD2-CG1 3.67Å
293	R	92.9	Very high	90.2	Very high	145 Å²	145	43.8 Å²	43.8	55%	0.547	22%	0.222	S	C	.	.			trans	-71	111.3	171.2	-64.1	-174.4	-62.8	-83.2	2.4	110	C448 T450 Q451	R293-C448 HydrophobicContact CB-CB 4.22Å; R293-C448 PolarHBondContact O-N 3.01Å; R293-T450 PolarHBondContact NH2-OG1 3.23Å; R293-Q451 PolarHBondContact O-NE2 2.97Å; R293-Q451 VanDerWaalsContact O-NE2 3.15Å
294	V	91.4	Very high	90.7	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.236	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	177	179.7	0	0	0	0	109.3	L292 D445 Y446 V447	L292-V294 PolarHBondContact O-N 2.83Å; V294-D445 HydrophobicContact CG1-CB 3.71Å; V294-Y446 CarbonylContact C-O 3.18Å; V294-Y446 VanDerWaalsContact CA-O 3.29Å; V294-Y446 WeakPolarHBondContact CA-O 3.48Å; V294-Y446 WeakPolarHBondContact CG1-O 3.45Å; V294-V447 HydrophobicContact CG2-CG2 4.41Å
295	G	89.9	Confident	91.1	Very high	24 Å²	24	39.7 Å²	39.7	25%	0.247	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-178.4	169.8	0	0	0	0	0	111.1	D445 Y446	G295-D445 WeakPolarHBondContact O-CA 3.19Å; G295-Y446 VanDerWaalsContact CA-CE1 3.44Å; G295-Y446 PolarHBondContact N-O 2.99Å; G295-Y446 VanDerWaalsContact O-CD1 3.25Å; G295-Y446 WeakPolarHBondContact O-CD1 3.27Å; G295-Y446 PolarHBondContact O-N 2.82Å
296	R	87.8	Confident	91.5	Very high	121 Å²	121	42 Å²	42	46%	0.457	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.7	175	-76.1	-171	163.7	-163.2	-4.4	111.8	Q443 Y444 D445	R296-Q443 HydrophobicContact CB-CG 4.15Å; R296-Y444 WeakPolarHBondContact CA-O 3.47Å; R296-D445 VanDerWaalsContact CG-OD1 3.24Å; R296-D445 WeakPolarHBondContact CG-OD1 3.34Å; R296-D445 IonicContact CZ-OD1 3.49Å; R296-D445 IonicContact NE-OD1 2.76Å; R296-D445 PolarHBondContact NE-OD1 2.83Å; R296-D445 IonicContact NH2-OD1 3.37Å; R296-D445 PolarHBondContact NH2-OD1 2.86Å
297	L	88	Confident	91.6	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	157.1	174.3	-69.4	172.4	0	0	0	110.7	Q443 Y444 Y446 G472 P524	L297-Q443 VanDerWaalsContact O-CA 3.27Å; L297-Q443 WeakPolarHBondContact O-CA 3.34Å; L297-Y444 HydrophobicContact CB-CE1 4.49Å; L297-Y444 HydrophobicContact CB-CE2 4.15Å; L297-Y444 PolarHBondContact N-O 3.07Å; L297-Y444 PolarHBondContact O-N 3.39Å; L297-Y446 HydrophobicContact CB-CD1 4.35Å; L297-Y446 HydrophobicContact CD1-CD1 3.72Å; L297-Y446 HydrophobicContact CD1-CD2 4.18Å; L297-Y446 HydrophobicContact CD1-CE1 4.07Å; L297-Y446 HydrophobicContact CD1-CG 3.75Å; L297-Y446 HydrophobicContact CD2-CD1 4.39Å; L297-Y446 HydrophobicContact CD2-CE1 4.04Å; L297-Y446 HydrophobicContact CG-CD1 3.46Å; L297-Y446 VanDerWaalsContact CG-CD1 3.46Å; L297-Y446 HydrophobicContact CG-CE1 3.62Å; L297-Y446 HydrophobicContact CG-CG 4.05Å; L297-G472 VanDerWaalsContact CD1-CA 3.45Å; L297-P524 HydrophobicContact CB-CG 4.3Å; L297-P524 HydrophobicContact CD1-CG 4.25Å; L297-P524 HydrophobicContact CD2-CG 4.11Å; L297-P524 HydrophobicContact CG-CG 4.44Å
298	R	84.8	Confident	91.8	Very high	41 Å²	41	47.3 Å²	47.3	16%	0.155	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139	-178.7	-68.4	175.4	176	-175.8	-3.4	110.2	H366 D370 V442 Q443	R298-H366 PolarHBondContact NH1-O 3.41Å; R298-D370 IonicContact NH1-OD1 2.77Å; R298-V442 WeakPolarHBondContact CA-O 3.4Å; R298-Q443 HydrophobicContact CG-CB 4.05Å; R298-Q443 HydrophobicContact CG-CG 3.86Å
299	T	85	Confident	92.1	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	172.7	59.5	0	0	0	0	109.9	G441 V442 Y444 P524	T299-G441 CarbonylContact O-C 3.4Å; T299-G441 WeakPolarHBondContact O-CA 3.31Å; T299-V442 PolarHBondContact N-O 2.83Å; T299-V442 PolarHBondContact O-N 3.15Å; T299-V442 WeakPolarHBondContact OG1-CG1 3.21Å; T299-Y444 HydrophobicContact CG2-CE1 4.04Å; T299-P524 HydrophobicContact CG2-CG 4.38Å
300	G	87.6	Confident	92.4	Very high	20 Å²	20	39.4 Å²	39.4	21%	0.206	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.7	178.9	0	0	0	0	0	112.4	Y440	G300-Y440 WeakPolarHBondContact CA-O 3.49Å
301	T	91.6	Very high	92.7	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.7	175.2	-161	0	0	0	0	109.9	R304 G439 Y440	T301-R304 PolarHBondContact OG1-NH2 2.81Å; T301-R304 VanDerWaalsContact OG1-NH2 3.12Å; T301-G439 VanDerWaalsContact O-CA 3.31Å; T301-G439 WeakPolarHBondContact O-CA 3.44Å; T301-Y440 HydrophobicContact CG2-CD1 3.58Å; T301-Y440 HydrophobicContact CG2-CD2 4.45Å; T301-Y440 HydrophobicContact CG2-CE1 3.44Å; T301-Y440 VanDerWaalsContact CG2-CE1 3.44Å; T301-Y440 HydrophobicContact CG2-CE2 4.32Å; T301-Y440 HydrophobicContact CG2-CG 4.1Å; T301-Y440 PolarHBondContact N-O 2.7Å; T301-Y440 PolarHBondContact O-N 3.39Å
302	P	94.8	Very high	92.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-69.9	165.1	172.7	29	-32.6	0	0	0	111	R304 Y407 P408 L411	P302-R304 PolarHBondContact O-NH1 3.29Å; P302-Y407 VanDerWaalsContact CD-CZ 3.43Å; P302-Y407 WeakPolarHBondContact CD-OH 3.31Å; P302-Y407 HydrophobicContact CG-CD1 4.15Å; P302-Y407 HydrophobicContact CG-CD2 4.16Å; P302-Y407 HydrophobicContact CG-CE1 3.49Å; P302-Y407 VanDerWaalsContact CG-CE1 3.49Å; P302-Y407 HydrophobicContact CG-CE2 3.55Å; P302-Y407 HydrophobicContact CG-CG 4.44Å; P302-Y407 WeakPolarHBondContact CG-OH 3.35Å; P302-P408 HydrophobicContact CB-CG 4.04Å; P302-L411 WeakPolarHBondContact CA-O 3.42Å; P302-L411 HydrophobicContact CB-CB 4.47Å; P302-L411 WeakPolarHBondContact CB-O 3.49Å
303	P	95.4	Very high	92.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-63.3	163.8	166.4	24	-29.5	0	0	0	112.1	L305 P408 M413 I424 I435 T437	P303-L305 HydrophobicContact CB-CD2 4.5Å; P303-L305 HydrophobicContact CG-CD2 4.47Å; P303-P408 WeakPolarHBondContact O-CD 3.45Å; P303-M413 HydrophobicContact CG-CE 4.19Å; P303-M413 HydrophobicContact CG-SD 4.46Å; P303-I424 HydrophobicContact CB-CD1 4.39Å; P303-I424 HydrophobicContact CG-CD1 3.29Å; P303-I435 HydrophobicContact CB-CD1 4.22Å; P303-I435 HydrophobicContact CB-CG1 4.25Å; P303-I435 HydrophobicContact CB-CG2 3.91Å; P303-I435 HydrophobicContact CG-CD1 4.46Å; P303-T437 CarbonylContact C-O 3.5Å; P303-T437 WeakPolarHBondContact CA-O 3.48Å; P303-T437 WeakPolarHBondContact CB-O 3.31Å
304	R	96.1	Very high	93.1	Very high	23 Å²	23	43.1 Å²	43.1	9%	0.087	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126	171.6	-58.3	-67.2	175.5	-85.1	-11.9	108.5	S135 T301 P302 E399 H436 T437	S135-R304 PolarHBondContact O-NH2 3.1Å; T301-R304 PolarHBondContact OG1-NH2 2.81Å; T301-R304 VanDerWaalsContact OG1-NH2 3.12Å; P302-R304 PolarHBondContact O-NH1 3.29Å; R304-E399 WeakPolarHBondContact CD-OE1 3.37Å; R304-E399 IonicContact CZ-OE1 3.75Å; R304-E399 IonicContact NE-OE1 3.83Å; R304-E399 PolarHBondContact NE-OE1 2.89Å; R304-H436 PolarHBondContact O-N 3.24Å; R304-T437 PolarHBondContact N-O 3.04Å; R304-T437 PolarHBondContact O-N 2.93Å
305	L	97.1	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.9	-175	-52	-178.1	0	0	0	110.6	P303 V310 L405 L406 P408 I424 L430 E434 I435	P303-L305 HydrophobicContact CB-CD2 4.5Å; P303-L305 HydrophobicContact CG-CD2 4.47Å; L305-V310 HydrophobicContact CB-CG2 4.46Å; L305-L405 CarbonylContact O-C 3.56Å; L305-L405 WeakPolarHBondContact O-CA 3.42Å; L305-L406 HydrophobicContact CB-CB 4.4Å; L305-L406 PolarHBondContact N-O 3.49Å; L305-L406 PolarHBondContact O-N 2.95Å; L305-P408 HydrophobicContact CD1-CB 4.1Å; L305-P408 HydrophobicContact CD1-CG 3.89Å; L305-P408 HydrophobicContact CG-CG 4.05Å; L305-I424 HydrophobicContact CD1-CG2 4.38Å; L305-I424 HydrophobicContact CD2-CD1 4.14Å; L305-I424 HydrophobicContact CD2-CG2 4.42Å; L305-L430 HydrophobicContact CD1-CD1 4.1Å; L305-L430 HydrophobicContact CD1-CD2 3.89Å; L305-E434 WeakPolarHBondContact CA-O 3.23Å; L305-I435 HydrophobicContact CD2-CG1 3.93Å
306	L	97.5	Very high	93.7	Very high	52 Å²	52	46.8 Å²	46.8	27%	0.272	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.6	170.1	-66.8	177.3	0	0	0	109.7	D308 S309 L405 E434 H436	L306-D308 VanDerWaalsContact C-N 3.32Å; L306-D308 PolarHBondContact O-N 3.07Å; L306-S309 PolarHBondContact O-N 3.07Å; L306-S309 PolarHBondContact O-OG 3.23Å; L306-L405 HydrophobicContact CD2-CD2 4.01Å; L306-E434 HydrophobicContact CD1-CB 4.03Å; L306-E434 PolarHBondContact N-O 3.36Å; L306-H436 HydrophobicContact CD2-CB 3.99Å; L306-H436 HydrophobicContact CG-CB 4.27Å
307	K	95	Very high	94.1	Very high	77 Å²	77	45.7 Å²	45.7	34%	0.335	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59	-42.1	-175.5	-175.8	-179.6	174.6	-171.8	0	112.4	S309 V310 D404 L406	K307-S309 PolarHBondContact O-N 3.09Å; K307-V310 PolarHBondContact O-N 3.01Å; K307-V310 VanDerWaalsContact O-N 3.13Å; K307-D404 VanDerWaalsContact CB-O 3.23Å; K307-D404 WeakPolarHBondContact CB-O 3.32Å; K307-D404 PolarHBondContact N-O 2.65Å; K307-L406 HydrophobicContact CB-CD1 4.27Å; K307-L406 HydrophobicContact CB-CG 4.03Å; K307-L406 HydrophobicContact CG-CD1 4.12Å; K307-L406 HydrophobicContact CG-CD2 4.37Å; K307-L406 HydrophobicContact CG-CG 4.09Å
308	D	95.5	Very high	94.4	Very high	149 Å²	149	47.9 Å²	47.9	80%	0.797	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-68.6	-20.3	-177.7	-63.6	-15.2	0	0	0	113.3	L306 V310	L306-D308 VanDerWaalsContact C-N 3.32Å; L306-D308 PolarHBondContact O-N 3.07Å; D308-V310 VanDerWaalsContact C-N 3.29Å
309	S	96.6	Very high	94.8	Very high	18 Å²	18	50.3 Å²	50.3	13%	0.126	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83.3	-4.5	176.7	74.3	0	0	0	0	113.6	L306 K307 R432 A433 E434	L306-S309 PolarHBondContact O-N 3.07Å; L306-S309 PolarHBondContact O-OG 3.23Å; K307-S309 PolarHBondContact O-N 3.09Å; S309-R432 CarbonylContact O-C 3.55Å; S309-A433 PolarHBondContact O-N 3.46Å; S309-A433 WeakPolarHBondContact OG-CA 3.38Å; S309-E434 PolarHBondContact OG-N 3.47Å
310	V	97.1	Very high	95.2	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	28%	0.279	C	S	.	.	S	Bend	trans	-107.7	126.5	-174.1	172.3	0	0	0	0	110.9	L305 K307 D308 L312 L396 L406 L430 A433	L305-V310 HydrophobicContact CB-CG2 4.46Å; K307-V310 PolarHBondContact O-N 3.01Å; K307-V310 VanDerWaalsContact O-N 3.13Å; D308-V310 VanDerWaalsContact C-N 3.29Å; V310-L312 HydrophobicContact CG1-CD2 3.64Å; V310-L312 HydrophobicContact CG1-CG 4.04Å; V310-L312 PolarHBondContact O-N 3.25Å; V310-L312 VanDerWaalsContact O-N 3.14Å; V310-L396 HydrophobicContact CG1-CD1 4.08Å; V310-L406 HydrophobicContact CB-CD1 4.03Å; V310-L406 HydrophobicContact CG1-CD1 4.11Å; V310-L406 HydrophobicContact CG2-CD1 4.08Å; V310-L430 HydrophobicContact CB-CD2 4.28Å; V310-L430 HydrophobicContact CG1-CD2 3.64Å; V310-L430 HydrophobicContact CG2-CD2 3.66Å; V310-A433 HydrophobicContact CG2-CB 4.17Å
311	D	96.6	Very high	95.5	Very high	59 Å²	59	51.4 Å²	51.4	32%	0.316	28%	0.279	S	S	.	.			trans	-85.1	86.5	175	-172.3	-6.2	0	0	0	110.7	S313 L314 P429 H431	D311-S313 PolarHBondContact O-N 3.07Å; D311-S313 VanDerWaalsContact OD1-CB 3.31Å; D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.87Å; D311-S313 VanDerWaalsContact OD1-N 3.14Å; D311-S313 PolarHBondContact OD1-OG 3.43Å; D311-L314 HydrophobicContact CB-CD1 4.25Å; D311-L314 HydrophobicContact CB-CG 4.48Å; D311-L314 PolarHBondContact O-N 2.93Å; D311-P429 PolarHBondContact N-O 2.89Å; D311-P429 WeakPolarHBondContact O-CA 3.32Å; D311-P429 WeakPolarHBondContact O-CB 3.41Å; D311-H431 IonicContact OD2-CE1 3.44Å
312	L	95.4	Very high	95.3	Very high	34 Å²	34	62.4 Å²	62.4	18%	0.178	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-67.2	-14.5	-179.5	-64.2	173.4	0	0	0	113.5	V310 L314 A315 Y345 L396 L406	V310-L312 HydrophobicContact CG1-CD2 3.64Å; V310-L312 HydrophobicContact CG1-CG 4.04Å; V310-L312 PolarHBondContact O-N 3.25Å; V310-L312 VanDerWaalsContact O-N 3.14Å; L312-L314 PolarHBondContact O-N 3.28Å; L312-A315 PolarHBondContact O-N 3.43Å; L312-A315 VanDerWaalsContact O-N 3.13Å; L312-Y345 HydrophobicContact CB-CD1 4.12Å; L312-Y345 HydrophobicContact CB-CE1 3.9Å; L312-Y345 HydrophobicContact CD1-CD2 4.36Å; L312-Y345 HydrophobicContact CD1-CE1 4.37Å; L312-Y345 HydrophobicContact CD1-CE2 3.87Å; L312-Y345 HydrophobicContact CD2-CD1 4.18Å; L312-Y345 HydrophobicContact CD2-CD2 3.84Å; L312-Y345 HydrophobicContact CD2-CE1 4.48Å; L312-Y345 HydrophobicContact CD2-CE2 4.2Å; L312-Y345 HydrophobicContact CD2-CG 3.85Å; L312-Y345 HydrophobicContact CG-CE1 4.48Å; L312-L396 HydrophobicContact CD2-CD1 3.97Å; L312-L406 HydrophobicContact CD2-CD1 4.19Å
313	S	95.6	Very high	95	Very high	100 Å²	100	69.3 Å²	69.3	70%	0.699	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-66.3	-26.7	177.7	77.3	0	0	0	0	112.3	D311 A315	D311-S313 PolarHBondContact O-N 3.07Å; D311-S313 VanDerWaalsContact OD1-CB 3.31Å; D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.87Å; D311-S313 VanDerWaalsContact OD1-N 3.14Å; D311-S313 PolarHBondContact OD1-OG 3.43Å; S313-A315 VanDerWaalsContact C-N 3.3Å
314	L	95.9	Very high	94.8	Very high	95 Å²	95	70.5 Å²	70.5	50%	0.497	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-83.7	-5.8	177.5	-58.2	178.1	0	0	0	112.8	D311 L312 P429	D311-L314 HydrophobicContact CB-CD1 4.25Å; D311-L314 HydrophobicContact CB-CG 4.48Å; D311-L314 PolarHBondContact O-N 2.93Å; L312-L314 PolarHBondContact O-N 3.28Å; L314-P429 HydrophobicContact CB-CB 4.37Å; L314-P429 HydrophobicContact CB-CG 3.96Å
315	A	96.3	Very high	94.6	Very high	13 Å²	13	71.4 Å²	71.4	11%	0.107	37%	0.367	C	S	.	.	S	Bend	trans	-102.7	150.1	-179.6	0	0	0	0	0	111.3	L312 S313 L317 Y345 P429	L312-A315 PolarHBondContact O-N 3.43Å; L312-A315 VanDerWaalsContact O-N 3.13Å; S313-A315 VanDerWaalsContact C-N 3.3Å; A315-L317 PolarHBondContact O-N 2.87Å; A315-Y345 HydrophobicContact CB-CD1 4.29Å; A315-Y345 HydrophobicContact CB-CG 4.47Å; A315-P429 HydrophobicContact CB-CB 4.19Å; A315-P429 HydrophobicContact CB-CG 3.83Å
316	K	97.3	Very high	94.4	Very high	127 Å²	127	72 Å²	72	55%	0.552	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.2	177.9	-178.4	177.1	177.2	177.9	0	110.1	H318 Y345 L346	K316-H318 PolarHBondContact O-CD2 2.74Å; K316-Y345 CarbonylContact O-C 3.4Å; K316-Y345 WeakPolarHBondContact O-CA 3.36Å; K316-L346 HydrophobicContact CB-CB 4.36Å; K316-L346 PolarHBondContact N-O 3.31Å; K316-L346 PolarHBondContact O-N 2.95Å
317	L	96.4	Very high	94.3	Very high	98 Å²	98	69.6 Å²	69.6	51%	0.513	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.6	175	-173.6	72.2	0	0	0	111.4	A315 P343 Y345	A315-L317 PolarHBondContact O-N 2.87Å; L317-P343 HydrophobicContact CD1-CB 3.42Å; L317-P343 VanDerWaalsContact CD1-CB 3.42Å; L317-P343 HydrophobicContact CD1-CG 3.61Å; L317-P343 HydrophobicContact CG-CB 4.31Å; L317-Y345 HydrophobicContact CD1-CD1 4.03Å; L317-Y345 HydrophobicContact CD1-CE1 3.45Å; L317-Y345 VanDerWaalsContact CD1-CE1 3.45Å
318	H	94.8	Very high	94.4	Very high	55 Å²	55	66 Å²	66	26%	0.255	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	102.4	172.6	-84.5	-91.2	0	0	0	109.7	K316 C344 W395	K316-H318 PolarHBondContact O-CD2 2.74Å; H318-C344 WeakPolarHBondContact CA-O 3.3Å; H318-C344 WeakPolarHBondContact CB-O 3.45Å; H318-C344 PolarHBondContact N-O 3.4Å; H318-C344 PolarHBondContact O-N 3.35Å; H318-W395 HydrophobicContact CB-CH2 4.07Å; H318-W395 HydrophobicContact CB-CZ3 3.67Å; H318-W395 AromaticContact CD2-CH2 3.8Å; H318-W395 AromaticContact CD2-CZ3 3.84Å; H318-W395 AromaticContact CG-CH2 3.62Å; H318-W395 AromaticContact CG-CZ3 3.66Å; H318-W395 AromaticContact ND1-CH2 3.8Å
319	P	93.8	Very high	94.3	Very high	93 Å²	93	60.4 Å²	60.4	60%	0.604	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-72.1	159.1	179.1	31	-34.9	0	0	0	111.7
320	P	93.6	Very high	94.2	Very high	26 Å²	26	62.9 Å²	62.9	17%	0.169	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64	168.5	169.8	28.8	-35.3	0	0	0	112.3	Q341	P320-Q341 HydrophobicContact CB-CB 4.15Å; P320-Q341 HydrophobicContact CG-CB 3.7Å
321	D	92.4	Very high	93.9	Very high	37 Å²	37	65.3 Å²	65.3	20%	0.198	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-65.7	136.6	173.6	-79.6	10.6	0	0	0	110.5	F170 V172 R175 Q323	F170-D321 PolarHBondContact O-N 3.44Å; V172-D321 PolarHBondContact N-OD2 2.9Å; R175-D321 IonicContact NH1-OD2 3.99Å; R175-D321 PolarHBondContact NH1-OD2 3.24Å; D321-Q323 PolarHBondContact O-N 3.28Å
322	R	88.6	Confident	93.1	Very high	240 Å²	240	68.5 Å²	68.5	91%	0.906	36%	0.356	S	S	*	.	S	Bend	trans	-58.3	-33.2	178.3	-67.5	-176.1	178.3	179.1	-1.4	113.4
323	Q	88.3	Confident	92.5	Very high	146 Å²	146	74.4 Å²	74.4	68%	0.682	38%	0.383	S	S	*	.	S	Bend	trans	-118.6	90.8	175.6	-72	179.8	-9.6	0	0	107.5	D321	D321-Q323 PolarHBondContact O-N 3.28Å
324	P	90.6	Very high	92	Very high	26 Å²	26	70.4 Å²	70.4	17%	0.169	35%	0.354	C	S	.	.			trans	-66.6	139.2	-179.2	30.2	-36.4	0	0	0	109.6	F170 T334 P338	F170-P324 HydrophobicContact CB-CB 3.65Å; F170-P324 HydrophobicContact CD2-CB 4.22Å; F170-P324 HydrophobicContact CG-CB 4.04Å; P324-T334 HydrophobicContact CB-CG2 3.88Å; P324-T334 HydrophobicContact CG-CG2 4.12Å; P324-P338 HydrophobicContact CG-CG 4.1Å
325	T	91.6	Very high	91.6	Very high	41 Å²	41	71.9 Å²	71.9	25%	0.252	35%	0.353	S	S	.	.			trans	-104.7	112.6	177.7	-56.4	0	0	0	0	108.6	L184	L184-T325 HydrophobicContact CD2-CG2 4.04Å
326	P	93.9	Very high	91	Very high	13 Å²	13	71.5 Å²	71.5	8%	0.084	35%	0.35	C	S	.	.			trans	-59	153.4	174.7	-20.5	31.3	0	0	0	111.3	R150 D164 N331 T334	R150-P326 PolarHBondContact NH1-O 3.15Å; R150-P326 PolarHBondContact NH2-O 2.73Å; D164-P326 WeakPolarHBondContact OD1-CA 3.26Å; D164-P326 WeakPolarHBondContact OD2-CB 3.48Å; P326-N331 HydrophobicContact CB-CB 4.06Å; P326-N331 HydrophobicContact CG-CB 4.47Å; P326-T334 HydrophobicContact CB-CG2 4.45Å; P326-T334 HydrophobicContact CG-CG2 4Å
327	F	95.8	Very high	90.4	Very high	1 Å²	1	70.6 Å²	70.6	0%	0.004	35%	0.346	C	S	.	.	S	Bend	trans	-78.5	-34.5	170.8	-72.2	-73.3	0	0	0	113	L140 V149 R150 D164 F170 L184 A186	L140-F327 HydrophobicContact CD2-CD2 4.46Å; L140-F327 HydrophobicContact CD2-CE2 4.34Å; L140-F327 WeakPolarHBondContact O-CZ 3.38Å; V149-F327 HydrophobicContact CB-CD1 4Å; V149-F327 HydrophobicContact CB-CE1 4.3Å; V149-F327 HydrophobicContact CG1-CB 3.88Å; V149-F327 HydrophobicContact CG1-CD1 3.52Å; V149-F327 HydrophobicContact CG1-CE1 4.12Å; V149-F327 HydrophobicContact CG1-CG 3.74Å; R150-F327 WeakPolarHBondContact CD-O 3.48Å; R150-F327 VanDerWaalsContact CZ-O 3.24Å; R150-F327 PolarHBondContact NE-O 3.2Å; R150-F327 PolarHBondContact NH1-O 2.83Å; D164-F327 PolarHBondContact OD1-N 3.14Å; D164-F327 PolarHBondContact OD2-N 2.83Å; F170-F327 HydrophobicContact CE1-CD2 4.3Å; F170-F327 HydrophobicContact CE1-CE2 4.4Å; L184-F327 HydrophobicContact CB-CD1 4.15Å; L184-F327 HydrophobicContact CB-CE1 3.65Å; L184-F327 HydrophobicContact CB-CZ 4.47Å; L184-F327 WeakPolarHBondContact O-CE1 3.33Å; A186-F327 HydrophobicContact CB-CE2 3.54Å; A186-F327 HydrophobicContact CB-CZ 4.17Å
328	S	96.1	Very high	89.9	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	34%	0.339	C	S	.	.			trans	-79.3	139.6	-179.6	-166.4	0	0	0	0	111.2	R150 D153 D164 M330	R150-S328 PolarHBondContact NH1-O 3.33Å; D153-S328 VanDerWaalsContact CG-CA 3.48Å; D153-S328 WeakPolarHBondContact OD1-CA 3.45Å; D153-S328 WeakPolarHBondContact OD1-CB 3.45Å; D153-S328 PolarHBondContact OD1-OG 3.18Å; D153-S328 VanDerWaalsContact OD2-CA 3.31Å; D153-S328 WeakPolarHBondContact OD2-CA 3.1Å; D153-S328 PolarHBondContact OD2-OG 2.9Å; D164-S328 WeakPolarHBondContact OD2-CB 3.4Å; D164-S328 PolarHBondContact OD2-N 2.97Å; S328-M330 PolarHBondContact OG-N 3.17Å
329	F	94.6	Very high	89.4	Confident	31 Å²	31	72.9 Å²	72.9	14%	0.136	36%	0.359	C	S	.	.	S	Bend	trans	-73.7	-16.2	171	-67.7	-74.5	0	0	0	113.1	R150 D153 A154 P540 A543 D544 R639	R150-F329 HydrophobicContact CB-CE2 4.34Å; D153-F329 WeakPolarHBondContact OD2-CD2 3.37Å; D153-F329 PolarHBondContact OD2-N 2.77Å; A154-F329 HydrophobicContact CB-CE2 4.32Å; F329-P540 WeakPolarHBondContact CZ-O 3.36Å; F329-A543 HydrophobicContact CE2-CB 3.92Å; F329-A543 HydrophobicContact CZ-CB 3.92Å; F329-D544 HydrophobicContact CB-CB 4.42Å; F329-D544 HydrophobicContact CD1-CB 3.98Å; F329-D544 HydrophobicContact CD2-CB 3.77Å; F329-D544 HydrophobicContact CE1-CB 4.09Å; F329-D544 HydrophobicContact CE2-CB 3.89Å; F329-D544 HydrophobicContact CG-CB 3.79Å; F329-D544 HydrophobicContact CZ-CB 4.03Å; F329-R639 VanDerWaalsContact CE1-NH2 3.29Å
330	M	93.8	Very high	89.2	Confident	70 Å²	70	73.3 Å²	73.3	35%	0.345	35%	0.353	S	S	.	.	S	Bend	trans	-82.2	-17.7	177.6	-59.6	-58	-63.3	0	0	112.7	S328 V560 R561 E564	S328-M330 PolarHBondContact OG-N 3.17Å; M330-V560 HydrophobicContact CE-CG1 4.04Å; M330-R561 HydrophobicContact SD-CB 4.03Å; M330-R561 HydrophobicContact SD-CG 3.9Å; M330-E564 HydrophobicContact CE-CB 4.17Å; M330-E564 HydrophobicContact CE-CG 4.36Å; M330-E564 HydrophobicContact SD-CB 4.1Å; M330-E564 HydrophobicContact SD-CG 4.11Å
331	N	90.2	Very high	89.1	Confident	64 Å²	64	72.7 Å²	72.7	34%	0.342	35%	0.348	S	S	.	.			trans	-99.4	127.5	-177.7	-67.9	-25.3	0	0	0	110.2	D164 P326	D164-N331 WeakPolarHBondContact CB-ND2 3.36Å; D164-N331 PolarHBondContact OD2-ND2 3.35Å; P326-N331 HydrophobicContact CB-CB 4.06Å; P326-N331 HydrophobicContact CG-CB 4.47Å
332	T	81.4	Confident	89.1	Confident	126 Å²	126	72.8 Å²	72.8	77%	0.773	35%	0.348	S	S	*	.	S	Bend	trans	-87	-25.7	172.5	52.8	0	0	0	0	112.4
333	Q	82.8	Confident	89.5	Confident	158 Å²	158	62.9 Å²	62.9	74%	0.738	32%	0.315	S	S	*	.	S	Bend	trans	-137.5	154.3	-177.4	-63.6	-178.1	-2	0	0	111
334	T	84.7	Confident	89.8	Confident	16 Å²	16	56.1 Å²	56.1	10%	0.098	28%	0.284	C	S	.	.			trans	-77.2	147.5	172.9	54.9	0	0	0	0	110.4	F170 P324 P326 C336	F170-T334 HydrophobicContact CD1-CG2 4.04Å; F170-T334 HydrophobicContact CD2-CG2 3.83Å; F170-T334 HydrophobicContact CE1-CG2 3.8Å; F170-T334 HydrophobicContact CE2-CG2 3.57Å; F170-T334 HydrophobicContact CG-CG2 4.06Å; F170-T334 HydrophobicContact CZ-CG2 3.55Å; P324-T334 HydrophobicContact CB-CG2 3.88Å; P324-T334 HydrophobicContact CG-CG2 4.12Å; P326-T334 HydrophobicContact CB-CG2 4.45Å; P326-T334 HydrophobicContact CG-CG2 4Å; T334-C336 PolarHBondContact OG1-O 2.92Å
335	R	85.9	Confident	90.1	Very high	127 Å²	127	57.1 Å²	57.1	48%	0.479	28%	0.284	S	S	.	.	S	Bend	trans	-62.8	-46.2	177.4	-175.7	-164.6	176.9	91	-10.3	111.8	W165 K337	W165-R335 VanDerWaalsContact CE2-NH1 3.3Å; W165-R335 VanDerWaalsContact CZ2-CZ 3.44Å; W165-R335 WeakPolarHBondContact O-CD 3.3Å; R335-K337 PolarHBondContact O-N 3.46Å
336	C	84.8	Confident	90.4	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.027	28%	0.275	C	S	.	.	S	Bend	trans	-74.8	120.8	173.2	-168.6	0	0	0	0	108.5	G167 T334 Q341	G167-C336 WeakPolarHBondContact O-CB 3.42Å; T334-C336 PolarHBondContact OG1-O 2.92Å; C336-Q341 HydrophobicContact CB-CG 4.19Å
337	K	85.3	Confident	90.5	Very high	109 Å²	109	55.5 Å²	55.5	47%	0.474	27%	0.274	S	S	.	.			trans	-65.9	150.4	178.3	-60.4	-176.6	-173.8	168	0	110.2	R335 E339 E340 Q341	R335-K337 PolarHBondContact O-N 3.46Å; K337-E339 VanDerWaalsContact CB-CD 3.5Å; K337-E339 HydrophobicContact CB-CG 4.22Å; K337-E339 WeakPolarHBondContact CB-OE1 3.22Å; K337-E339 WeakPolarHBondContact CD-OE1 3.12Å; K337-E339 PolarHBondContact O-N 3.49Å; K337-E339 VanDerWaalsContact O-N 3.13Å; K337-E340 HydrophobicContact CB-CG 4.23Å; K337-E340 PolarHBondContact N-OE2 2.96Å; K337-E340 PolarHBondContact O-N 3.33Å; K337-Q341 PolarHBondContact O-N 3.34Å
338	P	84.9	Confident	90.6	Very high	58 Å²	58	60.3 Å²	60.3	38%	0.377	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-50.9	-37.9	-179.1	-27.7	35	0	0	0	114	P324 E340 Q341	P324-P338 HydrophobicContact CG-CG 4.1Å; P338-E340 VanDerWaalsContact C-N 3.34Å; P338-Q341 PolarHBondContact O-N 2.89Å
339	E	84.8	Confident	90.6	Very high	143 Å²	143	60.7 Å²	60.7	67%	0.668	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-72.4	-21.7	178.3	60.6	-87.7	-160.3	0	0	114.5	K337	K337-E339 VanDerWaalsContact CB-CD 3.5Å; K337-E339 HydrophobicContact CB-CG 4.22Å; K337-E339 WeakPolarHBondContact CB-OE1 3.22Å; K337-E339 WeakPolarHBondContact CD-OE1 3.12Å; K337-E339 PolarHBondContact O-N 3.49Å; K337-E339 VanDerWaalsContact O-N 3.13Å
340	E	88.5	Confident	90.6	Very high	101 Å²	101	61 Å²	61	47%	0.472	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-92	-10.9	179	-66.4	169.2	-177.7	0	0	112.2	K337 P338	K337-E340 HydrophobicContact CB-CG 4.23Å; K337-E340 PolarHBondContact N-OE2 2.96Å; K337-E340 PolarHBondContact O-N 3.33Å; P338-E340 VanDerWaalsContact C-N 3.34Å
341	Q	91.8	Very high	90.7	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.061	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.7	136.2	-176.6	-73.9	-174.5	40.7	0	0	112	I168 N169 P320 C336 K337 P338	I168-Q341 CarbonylContact O-C 3.51Å; I168-Q341 WeakPolarHBondContact O-CA 3.35Å; I168-Q341 WeakPolarHBondContact O-CB 3.45Å; I168-Q341 WeakPolarHBondContact O-CG 3.39Å; N169-Q341 VanDerWaalsContact CA-OE1 3.3Å; P320-Q341 HydrophobicContact CB-CB 4.15Å; P320-Q341 HydrophobicContact CG-CB 3.7Å; C336-Q341 HydrophobicContact CB-CG 4.19Å; K337-Q341 PolarHBondContact O-N 3.34Å; P338-Q341 PolarHBondContact O-N 2.89Å
342	L	93.7	Very high	90.9	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.209	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-82.1	138.7	-177.6	-64.2	-176.9	0	0	0	111.4	I168 N169 P398 L401	I168-L342 HydrophobicContact CD1-CD1 4.3Å; I168-L342 PolarHBondContact O-N 2.66Å; N169-L342 WeakPolarHBondContact CB-O 3.48Å; N169-L342 PolarHBondContact ND2-O 3.4Å; L342-P398 HydrophobicContact CB-CG 4.31Å; L342-P398 HydrophobicContact CD1-CB 3.96Å; L342-P398 HydrophobicContact CD1-CG 4.3Å; L342-L401 HydrophobicContact CD1-CD2 3.93Å; L342-L401 HydrophobicContact CD2-CD2 4.24Å; L342-L401 HydrophobicContact CG-CD2 3.82Å
343	P	95.3	Very high	91.5	Very high	31 Å²	31	53.9 Å²	53.9	20%	0.201	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-74.2	159.5	173.6	32.6	-35.6	0	0	0	111.8	L317 Y345	L317-P343 HydrophobicContact CD1-CB 3.42Å; L317-P343 VanDerWaalsContact CD1-CB 3.42Å; L317-P343 HydrophobicContact CD1-CG 3.61Å; L317-P343 HydrophobicContact CG-CB 4.31Å; P343-Y345 HydrophobicContact CG-CE2 4.15Å
344	C	95.9	Very high	92	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	159.7	165.2	-66.7	0	0	0	0	109.5	H318 W395	H318-C344 WeakPolarHBondContact CA-O 3.3Å; H318-C344 WeakPolarHBondContact CB-O 3.45Å; H318-C344 PolarHBondContact N-O 3.4Å; H318-C344 PolarHBondContact O-N 3.35Å; C344-W395 HydrophobicContact CB-CE3 4.01Å; C344-W395 HydrophobicContact CB-CZ3 4.15Å
345	Y	97.3	Very high	92.5	Very high	47 Å²	47	53.1 Å²	53.1	18%	0.184	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.7	-179.7	-55.6	-102.6	0	0	0	110.6	L312 A315 K316 L317 P343 W395 L396	L312-Y345 HydrophobicContact CB-CD1 4.12Å; L312-Y345 HydrophobicContact CB-CE1 3.9Å; L312-Y345 HydrophobicContact CD1-CD2 4.36Å; L312-Y345 HydrophobicContact CD1-CE1 4.37Å; L312-Y345 HydrophobicContact CD1-CE2 3.87Å; L312-Y345 HydrophobicContact CD2-CD1 4.18Å; L312-Y345 HydrophobicContact CD2-CD2 3.84Å; L312-Y345 HydrophobicContact CD2-CE1 4.48Å; L312-Y345 HydrophobicContact CD2-CE2 4.2Å; L312-Y345 HydrophobicContact CD2-CG 3.85Å; L312-Y345 HydrophobicContact CG-CE1 4.48Å; A315-Y345 HydrophobicContact CB-CD1 4.29Å; A315-Y345 HydrophobicContact CB-CG 4.47Å; K316-Y345 CarbonylContact O-C 3.4Å; K316-Y345 WeakPolarHBondContact O-CA 3.36Å; L317-Y345 HydrophobicContact CD1-CD1 4.03Å; L317-Y345 HydrophobicContact CD1-CE1 3.45Å; L317-Y345 VanDerWaalsContact CD1-CE1 3.45Å; P343-Y345 HydrophobicContact CG-CE2 4.15Å; Y345-W395 CarbonylContact O-C 3.51Å; Y345-W395 WeakPolarHBondContact O-CA 3.49Å; Y345-L396 PolarHBondContact N-O 2.84Å; Y345-L396 VanDerWaalsContact N-O 3.12Å; Y345-L396 PolarHBondContact O-N 3.19Å
346	L	97.1	Very high	92.9	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	179.1	178.1	63.2	0	0	0	110.1	K316 Y348 Q393 W395	K316-L346 HydrophobicContact CB-CB 4.36Å; K316-L346 PolarHBondContact N-O 3.31Å; K316-L346 PolarHBondContact O-N 2.95Å; L346-Y348 HydrophobicContact CD2-CE2 4.41Å; L346-Y348 HydrophobicContact CG-CE2 4.25Å; L346-Q393 HydrophobicContact CD1-CB 4.02Å; L346-Q393 HydrophobicContact CD1-CG 4.18Å; L346-W395 HydrophobicContact CB-CD2 4.5Å; L346-W395 HydrophobicContact CB-CE3 4.22Å; L346-W395 HydrophobicContact CB-CH2 4.26Å; L346-W395 HydrophobicContact CB-CZ3 4.1Å; L346-W395 HydrophobicContact CD1-CD2 4.03Å; L346-W395 HydrophobicContact CD1-CG 4.33Å; L346-W395 HydrophobicContact CD1-CZ2 4.13Å; L346-W395 HydrophobicContact CD2-CH2 4.47Å; L346-W395 HydrophobicContact CD2-CZ2 4.27Å
347	T	96.9	Very high	93.2	Very high	11 Å²	11	47 Å²	47	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	-179.5	170.6	-166.3	0	0	0	0	110.6	V394 L396 I427 P429	T347-V394 HydrophobicContact CG2-CB 3.87Å; T347-V394 HydrophobicContact CG2-CG1 4.23Å; T347-V394 PolarHBondContact N-O 2.9Å; T347-V394 PolarHBondContact O-N 3.31Å; T347-L396 HydrophobicContact CG2-CG 4.49Å; T347-I427 HydrophobicContact CG2-CG2 3.79Å; T347-P429 HydrophobicContact CG2-CG 4.32Å; T347-P429 WeakPolarHBondContact OG1-CD 3.18Å; T347-P429 WeakPolarHBondContact OG1-CG 3.39Å
348	Y	96.9	Very high	93.4	Very high	101 Å²	101	48.3 Å²	48.3	40%	0.396	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148	-174.5	-62.5	-96.4	0	0	0	111	L346 H392 Q393	L346-Y348 HydrophobicContact CD2-CE2 4.41Å; L346-Y348 HydrophobicContact CG-CE2 4.25Å; Y348-H392 CarbonylContact C-O 3.56Å; Y348-H392 VanDerWaalsContact CA-O 3.31Å; Y348-H392 WeakPolarHBondContact CA-O 3.39Å; Y348-Q393 HydrophobicContact CD1-CG 3.96Å; Y348-Q393 HydrophobicContact CE1-CG 3.47Å; Y348-Q393 VanDerWaalsContact CE1-CG 3.47Å
349	T	95.9	Very high	93.7	Very high	10 Å²	10	50 Å²	50	6%	0.061	24%	0.236	C	C	.	.			trans	-68	149.8	169.9	61.8	0	0	0	0	111.1	V353 I380 H392 V394 L411 I427	T349-V353 HydrophobicContact CG2-CG1 4.24Å; T349-V353 HydrophobicContact CG2-CG2 4.39Å; T349-I380 HydrophobicContact CG2-CD1 4.08Å; T349-H392 HydrophobicContact CG2-CB 4.07Å; T349-H392 PolarHBondContact N-O 3.18Å; T349-H392 PolarHBondContact OG1-N 2.79Å; T349-V394 HydrophobicContact CG2-CG2 3.89Å; T349-L411 HydrophobicContact CG2-CD2 4.08Å; T349-I427 HydrophobicContact CG2-CD1 4.32Å
350	T	95.6	Very high	93.8	Very high	38 Å²	38	43.3 Å²	43.3	23%	0.233	21%	0.205	C	C	.	.			trans	-104.8	167	177.4	63	0	0	0	0	110.6	G352 V353 E426 P428	T350-G352 PolarHBondContact O-N 3.48Å; T350-G352 VanDerWaalsContact O-N 3.14Å; T350-G352 PolarHBondContact OG1-N 3.15Å; T350-V353 WeakPolarHBondContact O-CB 3.29Å; T350-V353 PolarHBondContact O-N 3.36Å; T350-V353 VanDerWaalsContact O-N 3.08Å; T350-E426 VanDerWaalsContact CG2-O 3.26Å; T350-E426 WeakPolarHBondContact CG2-O 3.13Å; T350-E426 PolarHBondContact OG1-O 3.15Å; T350-P428 HydrophobicContact CG2-CG 4.2Å
351	P	95.4	Very high	93.5	Very high	108 Å²	108	41.1 Å²	41.1	70%	0.701	20%	0.196	S	C	*	.	H	α-helix	trans	-57.5	-22.5	170.2	-26	35.9	0	0	0	113.8	E354 R355	P351-E354 PolarHBondContact O-N 3.26Å; P351-R355 PolarHBondContact O-N 3.38Å; P351-R355 VanDerWaalsContact O-N 3.08Å
352	G	94.8	Very high	93	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-40.1	173.4	0	0	0	0	0	113.2	T350 E354 R355 V356 E426	T350-G352 PolarHBondContact O-N 3.48Å; T350-G352 VanDerWaalsContact O-N 3.14Å; T350-G352 PolarHBondContact OG1-N 3.15Å; G352-E354 VanDerWaalsContact C-N 3.32Å; G352-E354 PolarHBondContact O-N 3.39Å; G352-R355 VanDerWaalsContact O-CB 3.32Å; G352-R355 WeakPolarHBondContact O-CB 3.4Å; G352-R355 PolarHBondContact O-N 3.49Å; G352-V356 WeakPolarHBondContact O-CG2 3.46Å; G352-V356 PolarHBondContact O-N 2.99Å; G352-E426 VanDerWaalsContact CA-OE2 3.29Å; G352-E426 WeakPolarHBondContact CA-OE2 3.47Å
353	V	94.3	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-45.5	174	172.2	0	0	0	0	110.8	T349 T350 R355 V356 V357 I380 L423 E426 I427	T349-V353 HydrophobicContact CG2-CG1 4.24Å; T349-V353 HydrophobicContact CG2-CG2 4.39Å; T350-V353 WeakPolarHBondContact O-CB 3.29Å; T350-V353 PolarHBondContact O-N 3.36Å; T350-V353 VanDerWaalsContact O-N 3.08Å; V353-R355 VanDerWaalsContact C-N 3.33Å; V353-R355 PolarHBondContact O-N 2.93Å; V353-V356 PolarHBondContact O-N 3.39Å; V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 3.22Å; V353-I380 HydrophobicContact CG1-CG1 4.09Å; V353-L423 HydrophobicContact CB-CG 4.47Å; V353-L423 HydrophobicContact CG1-CD1 4.03Å; V353-L423 HydrophobicContact CG1-CD2 3.85Å; V353-L423 HydrophobicContact CG1-CG 3.87Å; V353-L423 HydrophobicContact CG2-CD2 4.27Å; V353-L423 HydrophobicContact CG2-CG 4.47Å; V353-E426 HydrophobicContact CG2-CB 3.99Å; V353-I427 HydrophobicContact CG2-CD1 4.14Å; V353-I427 HydrophobicContact CG2-CG1 3.68Å
354	E	93.2	Very high	91.1	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-39.8	178.1	171.6	167.4	-170.6	0	0	112	P351 G352 V357 R358 V384 G389	P351-E354 PolarHBondContact O-N 3.26Å; G352-E354 VanDerWaalsContact C-N 3.32Å; G352-E354 PolarHBondContact O-N 3.39Å; E354-V357 PolarHBondContact O-N 3.36Å; E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 3.44Å; E354-R358 IonicContact OE1-CZ 3.72Å; E354-R358 IonicContact OE1-NE 3.1Å; E354-R358 IonicContact OE1-NH1 3.93Å; E354-R358 PolarHBondContact OE1-NH1 3.02Å; E354-R358 IonicContact OE1-NH2 3.8Å; E354-R358 PolarHBondContact OE1-NH2 3.37Å; E354-V384 HydrophobicContact CB-CG1 3.89Å; E354-V384 HydrophobicContact CG-CG1 3.62Å; E354-G389 PolarHBondContact OE1-N 2.68Å; E354-G389 WeakPolarHBondContact OE2-CA 3.47Å; E354-G389 PolarHBondContact OE2-N 3.07Å
355	R	94.8	Very high	89.6	Confident	131 Å²	131	45.5 Å²	45.5	49%	0.494	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-52	174.1	-161.5	-162.1	-47.8	124.7	7.2	111.4	P351 G352 V353 V357 R358 E359 E426	P351-R355 PolarHBondContact O-N 3.38Å; P351-R355 VanDerWaalsContact O-N 3.08Å; G352-R355 VanDerWaalsContact O-CB 3.32Å; G352-R355 WeakPolarHBondContact O-CB 3.4Å; G352-R355 PolarHBondContact O-N 3.49Å; V353-R355 VanDerWaalsContact C-N 3.33Å; V353-R355 PolarHBondContact O-N 2.93Å; R355-V357 VanDerWaalsContact C-N 3.34Å; R355-V357 PolarHBondContact O-N 2.93Å; R355-R358 PolarHBondContact O-N 3.42Å; R355-E359 WeakPolarHBondContact CG-OE1 3.44Å; R355-E359 WeakPolarHBondContact O-CG 3.48Å; R355-E359 PolarHBondContact O-N 3.46Å; R355-E426 IonicContact NH1-OE1 3.54Å; R355-E426 IonicContact NH1-OE2 2.84Å
356	V	93.6	Very high	88	Confident	3 Å²	3	44 Å²	44	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-40.1	-178.7	175.6	0	0	0	0	111.7	G352 V353 S360 V419 R422 L423 E426	G352-V356 WeakPolarHBondContact O-CG2 3.46Å; G352-V356 PolarHBondContact O-N 2.99Å; V353-V356 PolarHBondContact O-N 3.39Å; V356-S360 WeakPolarHBondContact O-CB 3.3Å; V356-S360 PolarHBondContact O-N 3.02Å; V356-S360 VanDerWaalsContact O-N 3.13Å; V356-S360 PolarHBondContact O-OG 3.28Å; V356-V419 HydrophobicContact CG1-CG1 3.91Å; V356-R422 HydrophobicContact CG2-CG 4.35Å; V356-L423 HydrophobicContact CB-CB 4.34Å; V356-L423 HydrophobicContact CG1-CB 3.8Å; V356-L423 HydrophobicContact CG1-CG 4.47Å; V356-E426 HydrophobicContact CG2-CG 4.14Å
357	V	91.1	Very high	86.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-48.7	175.4	168	0	0	0	0	110.6	V353 E354 R355 E359 S360 L361 E381 V384 L423	V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 3.22Å; E354-V357 PolarHBondContact O-N 3.36Å; R355-V357 VanDerWaalsContact C-N 3.34Å; R355-V357 PolarHBondContact O-N 2.93Å; V357-E359 PolarHBondContact O-N 2.94Å; V357-S360 PolarHBondContact O-N 2.78Å; V357-S360 PolarHBondContact O-OG 3.48Å; V357-L361 HydrophobicContact CG1-CD2 4.41Å; V357-L361 WeakPolarHBondContact O-CG 3.49Å; V357-L361 PolarHBondContact O-N 2.99Å; V357-E381 HydrophobicContact CG1-CB 4.26Å; V357-V384 HydrophobicContact CB-CG1 4.28Å; V357-V384 HydrophobicContact CG1-CB 4.21Å; V357-V384 HydrophobicContact CG1-CG1 4.1Å; V357-V384 HydrophobicContact CG2-CG2 4.43Å; V357-L423 HydrophobicContact CG2-CD1 3.6Å
358	R	89.4	Confident	84.1	Confident	136 Å²	136	50.5 Å²	50.5	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-42.9	-178.9	-76.3	-176.6	174.2	152.8	6.8	112.6	E354 R355 S360 L361	E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 3.44Å; E354-R358 IonicContact OE1-CZ 3.72Å; E354-R358 IonicContact OE1-NE 3.1Å; E354-R358 IonicContact OE1-NH1 3.93Å; E354-R358 PolarHBondContact OE1-NH1 3.02Å; E354-R358 IonicContact OE1-NH2 3.8Å; E354-R358 PolarHBondContact OE1-NH2 3.37Å; R355-R358 PolarHBondContact O-N 3.42Å; R358-S360 VanDerWaalsContact C-N 3.29Å; R358-S360 PolarHBondContact O-N 3.11Å; R358-L361 WeakPolarHBondContact O-CG 3.31Å
359	E	90.8	Very high	82	Confident	94 Å²	94	51.8 Å²	51.8	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-35.5	177.4	-71.5	171	-166.5	0	0	112.4	R355 V357 H362 R422	R355-E359 WeakPolarHBondContact CG-OE1 3.44Å; R355-E359 WeakPolarHBondContact O-CG 3.48Å; R355-E359 PolarHBondContact O-N 3.46Å; V357-E359 PolarHBondContact O-N 2.94Å; E359-H362 PolarHBondContact O-CE1 3.33Å; E359-H362 PolarHBondContact O-ND1 3.37Å; E359-R422 IonicContact OE2-CZ 3.57Å; E359-R422 IonicContact OE2-NH1 3.9Å; E359-R422 IonicContact OE2-NH2 2.84Å; E359-R422 PolarHBondContact OE2-NH2 2.91Å
360	S	87.8	Confident	80	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-93.9	3.2	-174	56.9	0	0	0	0	115	V356 V357 R358 H362 L363 M415	V356-S360 WeakPolarHBondContact O-CB 3.3Å; V356-S360 PolarHBondContact O-N 3.02Å; V356-S360 VanDerWaalsContact O-N 3.13Å; V356-S360 PolarHBondContact O-OG 3.28Å; V357-S360 PolarHBondContact O-N 2.78Å; V357-S360 PolarHBondContact O-OG 3.48Å; R358-S360 VanDerWaalsContact C-N 3.29Å; R358-S360 PolarHBondContact O-N 3.11Å; S360-H362 PolarHBondContact O-N 3.06Å; S360-H362 VanDerWaalsContact O-N 3.14Å; S360-L363 WeakPolarHBondContact O-CB 3.3Å; S360-L363 PolarHBondContact O-N 3.13Å; S360-M415 PolarHBondContact OG-SD 3.38Å; S360-M415 VanDerWaalsContact OG-SD 3.34Å
361	L	82.2	Confident	77.1	Confident	54 Å²	54	57.8 Å²	57.8	28%	0.283	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-54.8	-35.8	-179	-72.3	172.4	0	0	0	113.8	V357 R358 L363 N364 Q368 L385	V357-L361 HydrophobicContact CG1-CD2 4.41Å; V357-L361 WeakPolarHBondContact O-CG 3.49Å; V357-L361 PolarHBondContact O-N 2.99Å; R358-L361 WeakPolarHBondContact O-CG 3.31Å; L361-L363 PolarHBondContact O-N 3.25Å; L361-N364 PolarHBondContact O-N 2.97Å; L361-Q368 PolarHBondContact O-NE2 3.32Å; L361-L385 HydrophobicContact CD1-CD2 3.88Å; L361-L385 HydrophobicContact CD2-CD1 3.74Å; L361-L385 HydrophobicContact CD2-CD2 3.9Å; L361-L385 HydrophobicContact CD2-CG 4.11Å
362	H	82.2	Confident	74.7	Confident	108 Å²	108	62.7 Å²	62.7	50%	0.5	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-69.4	-12.5	179.9	69.1	-80.3	0	0	0	113.7	R265 E359 S360	R265-H362 PolarHBondContact NE-O 2.86Å; R265-H362 PolarHBondContact NH2-O 3.43Å; E359-H362 PolarHBondContact O-CE1 3.33Å; E359-H362 PolarHBondContact O-ND1 3.37Å; S360-H362 PolarHBondContact O-N 3.06Å; S360-H362 VanDerWaalsContact O-N 3.14Å
363	L	77.8	Confident	72.7	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.209	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-95.7	-11.7	179.4	-57.9	175.2	0	0	0	112.7	G264 R265 S360 L361 C365 P416 V419	G264-L363 CarbonylContact C-O 3.5Å; R265-L363 WeakPolarHBondContact CG-O 3.39Å; R265-L363 PolarHBondContact N-O 3.26Å; S360-L363 WeakPolarHBondContact O-CB 3.3Å; S360-L363 PolarHBondContact O-N 3.13Å; L361-L363 PolarHBondContact O-N 3.25Å; L363-C365 PolarHBondContact O-N 3.08Å; L363-P416 HydrophobicContact CB-CG 4.3Å; L363-P416 HydrophobicContact CD1-CG 4.3Å; L363-V419 HydrophobicContact CD1-CG2 4.2Å
364	N	69.4	Low	70.8	Confident	1 Å²	1	66 Å²	66	1%	0.005	33%	0.334	C	S	.	.			trans	-98.2	88.1	-173.6	-70.9	-37.1	0	0	0	111.9	L361 H366 I367 Q368 M415	L361-N364 PolarHBondContact O-N 2.97Å; N364-H366 PolarHBondContact O-N 2.99Å; N364-I367 HydrophobicContact CB-CB 4.46Å; N364-I367 HydrophobicContact CB-CD1 3.72Å; N364-I367 HydrophobicContact CB-CG1 4.16Å; N364-I367 PolarHBondContact O-N 3.29Å; N364-Q368 WeakPolarHBondContact O-CG 3.25Å; N364-M415 WeakPolarHBondContact ND2-CG 3.35Å; N364-M415 WeakPolarHBondContact OD1-CA 3.49Å; N364-M415 VanDerWaalsContact OD1-CG 3.29Å; N364-M415 WeakPolarHBondContact OD1-CG 3.38Å
365	C	64.4	Low	69.3	Low	33 Å²	33	73.6 Å²	73.6	22%	0.223	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-26.2	173.3	67.4	0	0	0	0	112.3	G264 L363 I367	G264-C365 PolarHBondContact O-SG 3.22Å; L363-C365 PolarHBondContact O-N 3.08Å; C365-I367 VanDerWaalsContact C-N 3.32Å; C365-I367 PolarHBondContact O-N 3.38Å
366	H	64.3	Low	67.7	Low	15 Å²	15	72.1 Å²	72.1	7%	0.069	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-31.1	-178	-164.7	77.2	0	0	0	113.5	F262 R298 N364 T414	F262-H366 AromaticContact CD2-ND1 3.82Å; F262-H366 AromaticContact CG-ND1 3.74Å; R298-H366 PolarHBondContact NH1-O 3.41Å; N364-H366 PolarHBondContact O-N 2.99Å; H366-T414 HydrophobicContact CB-CG2 4.46Å
367	I	59.8	Low	66.2	Low	26 Å²	26	72.8 Å²	72.8	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-93.8	-38.6	-176.8	-54.8	165.6	0	0	0	111.4	N364 C365 Q369 D370 E381 L385	N364-I367 HydrophobicContact CB-CB 4.46Å; N364-I367 HydrophobicContact CB-CD1 3.72Å; N364-I367 HydrophobicContact CB-CG1 4.16Å; N364-I367 PolarHBondContact O-N 3.29Å; C365-I367 VanDerWaalsContact C-N 3.32Å; C365-I367 PolarHBondContact O-N 3.38Å; I367-Q369 PolarHBondContact O-N 3.04Å; I367-Q369 VanDerWaalsContact O-N 3.17Å; I367-D370 PolarHBondContact O-N 3.12Å; I367-D370 VanDerWaalsContact O-N 3.11Å; I367-E381 HydrophobicContact CD1-CB 3.45Å; I367-E381 VanDerWaalsContact CD1-CB 3.45Å; I367-E381 HydrophobicContact CD1-CG 3.24Å; I367-E381 HydrophobicContact CG1-CG 4.02Å; I367-L385 HydrophobicContact CG2-CD1 4.3Å
368	Q	53.3	Low	65.3	Low	130 Å²	130	74.3 Å²	74.3	61%	0.607	37%	0.371	S	S	*	.	H	α-helix	trans	-63	-25.4	-173.5	-71.9	-179.1	-11.9	0	0	113.6	L361 N364 D370	L361-Q368 PolarHBondContact O-NE2 3.32Å; N364-Q368 WeakPolarHBondContact O-CG 3.25Å; Q368-D370 VanDerWaalsContact C-N 3.33Å
369	Q	52.6	Low	65.2	Low	128 Å²	128	68.5 Å²	68.5	60%	0.598	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.4	179.8	-67.4	178.7	-19.7	0	0	113.8	I367 A371	I367-Q369 PolarHBondContact O-N 3.04Å; I367-Q369 VanDerWaalsContact O-N 3.17Å; Q369-A371 PolarHBondContact O-N 3.39Å
370	D	53	Low	65.1	Low	69 Å²	69	64 Å²	64	37%	0.369	33%	0.33	S	S	.	.			trans	-96.4	72.1	179.5	-76.2	-16.2	0	0	0	110.6	R298 I367 Q368 K372 G373	R298-D370 IonicContact NH1-OD1 2.77Å; I367-D370 PolarHBondContact O-N 3.12Å; I367-D370 VanDerWaalsContact O-N 3.11Å; Q368-D370 VanDerWaalsContact C-N 3.33Å; D370-K372 PolarHBondContact O-N 3.06Å; D370-G373 PolarHBondContact O-N 3.22Å
371	A	35.9	Very low	65.2	Low	106 Å²	106	63.9 Å²	63.9	88%	0.876	33%	0.33	S	S	*	.	S	Bend	trans	-57.5	-15.7	-178.4	0	0	0	0	0	114.9	Q369	Q369-A371 PolarHBondContact O-N 3.39Å
372	K	44.8	Very low	65.3	Low	210 Å²	210	62.5 Å²	62.5	91%	0.913	32%	0.324	S	S	*	.	S	Bend	trans	-117.4	-11.7	172.7	-74.3	-175.7	178.1	178.1	0	115.2	D370	D370-K372 PolarHBondContact O-N 3.06Å
373	G	51.2	Low	65.6	Low	38 Å²	38	59.3 Å²	59.3	39%	0.392	31%	0.308	S	S	.	.			trans	54.9	156.5	-176.1	0	0	0	0	0	115.4	D370	D370-G373 PolarHBondContact O-N 3.22Å
374	P	55.3	Low	66.1	Low	36 Å²	36	57.6 Å²	57.6	23%	0.234	30%	0.299	C	S	.	.			trans	-65.5	144.8	165.5	27.3	-32.5	0	0	0	110	Y376 C377 R386 E523	P374-Y376 WeakPolarHBondContact CB-O 3.43Å; P374-Y376 WeakPolarHBondContact CG-O 3.34Å; P374-Y376 PolarHBondContact O-N 3.14Å; P374-C377 PolarHBondContact O-SG 3.23Å; P374-R386 PolarHBondContact O-NH1 2.9Å; P374-E523 HydrophobicContact CB-CB 4.16Å; P374-E523 WeakPolarHBondContact CB-OE2 3.15Å
375	R	61.2	Low	66.8	Low	186 Å²	186	61.4 Å²	61.4	70%	0.702	32%	0.319	S	S	*	.	S	Bend	trans	-60.9	-32.3	174.6	-70.8	-178	-69.4	-165.7	-6.9	110.4	R386 E523	R375-R386 PolarHBondContact O-NH1 3.16Å; R375-E523 WeakPolarHBondContact CA-OE2 3.47Å; R375-E523 WeakPolarHBondContact CB-OE1 3.32Å; R375-E523 IonicContact CZ-OE1 3.78Å; R375-E523 PolarHBondContact N-OE2 2.59Å; R375-E523 IonicContact NE-OE1 2.86Å; R375-E523 PolarHBondContact NE-OE1 3.43Å; R375-E523 IonicContact NH2-OE1 3.5Å; R375-E523 PolarHBondContact NH2-OE1 2.92Å; R375-E523 VanDerWaalsContact NH2-OE1 3.14Å
376	Y	61.5	Low	67.8	Low	100 Å²	100	65.7 Å²	65.7	39%	0.392	33%	0.33	S	S	.	.	S	Bend	trans	-97.4	111.3	167	-176.3	-100.9	0	0	0	110.5	P374 P378 E523 R526 F528	P374-Y376 WeakPolarHBondContact CB-O 3.43Å; P374-Y376 WeakPolarHBondContact CG-O 3.34Å; P374-Y376 PolarHBondContact O-N 3.14Å; Y376-P378 HydrophobicContact CD1-CB 4.43Å; Y376-P378 HydrophobicContact CE1-CB 3.97Å; Y376-P378 WeakPolarHBondContact O-CD 3.48Å; Y376-E523 PolarHBondContact N-OE2 3.14Å; Y376-E523 VanDerWaalsContact N-OE2 3.15Å; Y376-R526 VanDerWaalsContact CE1-CZ 3.42Å; Y376-F528 HydrophobicContact CD1-CZ 4.47Å; Y376-F528 HydrophobicContact CD2-CE2 4.04Å; Y376-F528 AromaticContact CD2-CZ 3.72Å; Y376-F528 HydrophobicContact CD2-CZ 3.72Å; Y376-F528 HydrophobicContact CE1-CZ 4.25Å; Y376-F528 HydrophobicContact CE2-CE1 4.48Å; Y376-F528 AromaticContact CE2-CE2 3.98Å; Y376-F528 HydrophobicContact CE2-CE2 3.98Å; Y376-F528 AromaticContact CE2-CZ 3.47Å; Y376-F528 HydrophobicContact CE2-CZ 3.47Å; Y376-F528 VanDerWaalsContact CE2-CZ 3.47Å; Y376-F528 HydrophobicContact CG-CZ 4.2Å; Y376-F528 AromaticContact CZ-CZ 3.75Å
377	C	61.9	Low	69	Low	17 Å²	17	69 Å²	69	12%	0.115	35%	0.345	C	S	.	.			trans	-96.6	99.7	179.1	-53.9	0	0	0	0	110.2	P374 R383 R386	P374-C377 PolarHBondContact O-SG 3.23Å; C377-R383 HydrophobicContact CB-CG 4.3Å; C377-R383 VanDerWaalsContact O-CG 3.22Å; C377-R383 WeakPolarHBondContact O-CG 3.11Å; C377-R386 PolarHBondContact SG-NH1 3.09Å; C377-R386 VanDerWaalsContact SG-NH1 3.4Å
378	P	71.8	Confident	70.3	Confident	32 Å²	32	71.5 Å²	71.5	21%	0.208	36%	0.362	C	S	.	.			trans	-76.7	-29.6	-178.9	29.2	-34.9	0	0	0	112.9	Y376 R383	Y376-P378 HydrophobicContact CD1-CB 4.43Å; Y376-P378 HydrophobicContact CE1-CB 3.97Å; Y376-P378 WeakPolarHBondContact O-CD 3.48Å; P378-R383 PolarHBondContact O-NE 3.42Å; P378-R383 PolarHBondContact O-NH2 2.92Å
379	S	87.3	Confident	71.9	Confident	13 Å²	13	68.4 Å²	68.4	9%	0.091	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-75.5	148	-175.3	63	0	0	0	0	111.9	E381 S382 R383 S412	S379-E381 VanDerWaalsContact C-N 3.35Å; S379-E381 WeakPolarHBondContact CB-OE1 3.45Å; S379-E381 VanDerWaalsContact OG-CG 3.25Å; S379-E381 WeakPolarHBondContact OG-CG 3.14Å; S379-S382 PolarHBondContact O-N 3.32Å; S379-S382 WeakPolarHBondContact OG-CB 3.49Å; S379-S382 PolarHBondContact OG-N 2.86Å; S379-S382 PolarHBondContact OG-OG 3.38Å; S379-R383 PolarHBondContact O-N 3.09Å; S379-R383 VanDerWaalsContact O-N 3.07Å; S379-R383 PolarHBondContact O-NE 3.46Å; S379-S412 CarbonylContact C-O 3.53Å; S379-S412 WeakPolarHBondContact CA-O 3.39Å; S379-S412 WeakPolarHBondContact CB-O 3.24Å
380	I	90.3	Very high	73.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-42.8	-178.5	-174.2	57.1	0	0	0	110.8	T349 V353 S382 R383 V384 H392 L411 S412 M413 L423	T349-I380 HydrophobicContact CG2-CD1 4.08Å; V353-I380 HydrophobicContact CG1-CG1 4.09Å; I380-S382 PolarHBondContact O-N 3.17Å; I380-R383 PolarHBondContact O-N 2.89Å; I380-R383 VanDerWaalsContact O-N 3.17Å; I380-V384 HydrophobicContact CD1-CG2 4.08Å; I380-V384 HydrophobicContact CG1-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.34Å; I380-V384 WeakPolarHBondContact O-CG2 3.49Å; I380-V384 PolarHBondContact O-N 2.8Å; I380-H392 HydrophobicContact CD1-CB 4.42Å; I380-L411 HydrophobicContact CB-CD2 4.43Å; I380-L411 HydrophobicContact CD1-CD2 4.34Å; I380-L411 HydrophobicContact CG1-CD2 4.12Å; I380-S412 PolarHBondContact N-O 3.35Å; I380-M413 HydrophobicContact CG2-CB 3.94Å; I380-M413 HydrophobicContact CG2-CE 4.41Å; I380-L423 HydrophobicContact CG2-CD1 4.27Å
381	E	88.4	Confident	75.6	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-48.9	-54.2	170.7	56.1	-142.7	-163.4	0	0	113.3	V357 I367 S379 R383 L385 M413 T414	V357-E381 HydrophobicContact CG1-CB 4.26Å; I367-E381 HydrophobicContact CD1-CB 3.45Å; I367-E381 VanDerWaalsContact CD1-CB 3.45Å; I367-E381 HydrophobicContact CD1-CG 3.24Å; I367-E381 HydrophobicContact CG1-CG 4.02Å; S379-E381 VanDerWaalsContact C-N 3.35Å; S379-E381 WeakPolarHBondContact CB-OE1 3.45Å; S379-E381 VanDerWaalsContact OG-CG 3.25Å; S379-E381 WeakPolarHBondContact OG-CG 3.14Å; E381-R383 PolarHBondContact O-N 3.46Å; E381-L385 WeakPolarHBondContact O-CG 3.32Å; E381-L385 PolarHBondContact O-N 3.46Å; E381-M413 WeakPolarHBondContact OE2-CA 3.36Å; E381-T414 PolarHBondContact OE1-N 2.77Å; E381-T414 PolarHBondContact OE1-OG1 3.38Å; E381-T414 PolarHBondContact OE2-N 3.03Å
382	S	85.5	Confident	78.3	Confident	24 Å²	24	67 Å²	67	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-31.6	178.2	-60.3	0	0	0	0	112.8	S379 I380 R386	S379-S382 PolarHBondContact O-N 3.32Å; S379-S382 WeakPolarHBondContact OG-CB 3.49Å; S379-S382 PolarHBondContact OG-N 2.86Å; S379-S382 PolarHBondContact OG-OG 3.38Å; I380-S382 PolarHBondContact O-N 3.17Å; S382-R386 WeakPolarHBondContact O-CB 3.46Å; S382-R386 PolarHBondContact O-N 2.89Å; S382-R386 VanDerWaalsContact O-N 3.15Å
383	R	87.4	Confident	80.7	Confident	42 Å²	42	62.2 Å²	62.2	16%	0.158	32%	0.321	C	S	.	.	H	α-helix	trans	-68.6	-44.7	177.1	-84.4	-177.6	-77.1	159.1	-0.2	112.6	C377 P378 S379 I380 E381 R386 F387 G410	C377-R383 HydrophobicContact CB-CG 4.3Å; C377-R383 VanDerWaalsContact O-CG 3.22Å; C377-R383 WeakPolarHBondContact O-CG 3.11Å; P378-R383 PolarHBondContact O-NE 3.42Å; P378-R383 PolarHBondContact O-NH2 2.92Å; S379-R383 PolarHBondContact O-N 3.09Å; S379-R383 VanDerWaalsContact O-N 3.07Å; S379-R383 PolarHBondContact O-NE 3.46Å; I380-R383 PolarHBondContact O-N 2.89Å; I380-R383 VanDerWaalsContact O-N 3.17Å; E381-R383 PolarHBondContact O-N 3.46Å; R383-R386 PolarHBondContact O-N 2.94Å; R383-F387 PolarHBondContact O-N 2.76Å; R383-G410 PolarHBondContact NH1-O 3.35Å; R383-G410 VanDerWaalsContact NH2-C 3.29Å; R383-G410 PolarHBondContact NH2-O 2.96Å
384	V	88.2	Confident	82.9	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-43.6	177.4	167.6	0	0	0	0	110.7	E354 V357 I380 R386 F387 P388	E354-V384 HydrophobicContact CB-CG1 3.89Å; E354-V384 HydrophobicContact CG-CG1 3.62Å; V357-V384 HydrophobicContact CB-CG1 4.28Å; V357-V384 HydrophobicContact CG1-CB 4.21Å; V357-V384 HydrophobicContact CG1-CG1 4.1Å; V357-V384 HydrophobicContact CG2-CG2 4.43Å; I380-V384 HydrophobicContact CD1-CG2 4.08Å; I380-V384 HydrophobicContact CG1-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.34Å; I380-V384 WeakPolarHBondContact O-CG2 3.49Å; I380-V384 PolarHBondContact O-N 2.8Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 3.48Å; V384-F387 CarbonylContact O-C 3.58Å; V384-P388 WeakPolarHBondContact O-CA 3.47Å
385	L	85.6	Confident	84.8	Confident	81 Å²	81	61.6 Å²	61.6	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-39.4	177.3	-73.9	174.9	0	0	0	112.9	L361 I367 E381	L361-L385 HydrophobicContact CD1-CD2 3.88Å; L361-L385 HydrophobicContact CD2-CD1 3.74Å; L361-L385 HydrophobicContact CD2-CD2 3.9Å; L361-L385 HydrophobicContact CD2-CG 4.11Å; I367-L385 HydrophobicContact CG2-CD1 4.3Å; E381-L385 WeakPolarHBondContact O-CG 3.32Å; E381-L385 PolarHBondContact O-N 3.46Å
386	R	85.3	Confident	86.5	Confident	123 Å²	123	52.8 Å²	52.8	46%	0.464	27%	0.269	S	S	.	.	H	α-helix	trans	-82.9	-29	-176.5	-168.9	167.1	-177.7	-174.1	-5.2	113.4	P374 R375 C377 S382 R383 V384	P374-R386 PolarHBondContact O-NH1 2.9Å; R375-R386 PolarHBondContact O-NH1 3.16Å; C377-R386 PolarHBondContact SG-NH1 3.09Å; C377-R386 VanDerWaalsContact SG-NH1 3.4Å; S382-R386 WeakPolarHBondContact O-CB 3.46Å; S382-R386 PolarHBondContact O-N 2.89Å; S382-R386 VanDerWaalsContact O-N 3.15Å; R383-R386 PolarHBondContact O-N 2.94Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 3.48Å
387	F	87.9	Confident	88.2	Confident	85 Å²	85	48 Å²	48	37%	0.373	25%	0.25	S	S	.	.	S	Bend	trans	-130.3	67.4	-177.2	-56.1	-68.3	0	0	0	110.8	R383 V384 R390	R383-F387 PolarHBondContact O-N 2.76Å; V384-F387 CarbonylContact O-C 3.58Å; F387-R390 HydrophobicContact CB-CG 4.43Å
388	P	87.4	Confident	89.8	Confident	77 Å²	77	47.6 Å²	47.6	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	146.5	-177.2	26.7	-35.3	0	0	0	111.8	V384 R390	V384-P388 WeakPolarHBondContact O-CA 3.47Å; P388-R390 PolarHBondContact O-N 2.94Å
389	G	86.9	Confident	91	Very high	65 Å²	65	46.6 Å²	46.6	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	5.8	177.9	0	0	0	0	0	116	E354	E354-G389 PolarHBondContact OE1-N 2.68Å; E354-G389 WeakPolarHBondContact OE2-CA 3.47Å; E354-G389 PolarHBondContact OE2-N 3.07Å
390	R	90.6	Very high	91.3	Very high	169 Å²	169	46.1 Å²	46.1	64%	0.638	24%	0.237	S	C	*	.			trans	-96.1	138	176.1	-64.7	-163	180	-179	-3.3	111.5	F387 P388	F387-R390 HydrophobicContact CB-CG 4.43Å; P388-R390 PolarHBondContact O-N 2.94Å
391	S	92.3	Very high	91.3	Very high	82 Å²	82	48.8 Å²	48.8	57%	0.573	25%	0.251	S	S	*	.			trans	-75.8	141.6	165.2	59.8	0	0	0	0	110.4
392	H	93.8	Very high	91.4	Very high	24 Å²	24	54 Å²	54	11%	0.111	28%	0.283	C	S	.	.			trans	-115.6	137.9	-179.9	-60	-60.4	0	0	0	110	Y348 T349 I380	Y348-H392 CarbonylContact C-O 3.56Å; Y348-H392 VanDerWaalsContact CA-O 3.31Å; Y348-H392 WeakPolarHBondContact CA-O 3.39Å; T349-H392 HydrophobicContact CG2-CB 4.07Å; T349-H392 PolarHBondContact N-O 3.18Å; T349-H392 PolarHBondContact OG1-N 2.79Å; I380-H392 HydrophobicContact CD1-CB 4.42Å
393	Q	95.4	Very high	91.8	Very high	109 Å²	109	54.4 Å²	54.4	51%	0.509	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138	175.5	-71.9	176.9	-14	0	0	110.9	L346 Y348	L346-Q393 HydrophobicContact CD1-CB 4.02Å; L346-Q393 HydrophobicContact CD1-CG 4.18Å; Y348-Q393 HydrophobicContact CD1-CG 3.96Å; Y348-Q393 HydrophobicContact CE1-CG 3.47Å; Y348-Q393 VanDerWaalsContact CE1-CG 3.47Å
394	V	96.3	Very high	92.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.4	173.8	-179.8	0	0	0	0	108.4	T347 T349 L396 P408 Q409 L411 I427	T347-V394 HydrophobicContact CG2-CB 3.87Å; T347-V394 HydrophobicContact CG2-CG1 4.23Å; T347-V394 PolarHBondContact N-O 2.9Å; T347-V394 PolarHBondContact O-N 3.31Å; T349-V394 HydrophobicContact CG2-CG2 3.89Å; V394-L396 HydrophobicContact CG1-CD2 4.18Å; V394-P408 HydrophobicContact CG1-CB 4.14Å; V394-Q409 WeakPolarHBondContact CA-O 3.3Å; V394-L411 HydrophobicContact CB-CG 4.47Å; V394-L411 HydrophobicContact CG1-CD1 3.85Å; V394-L411 HydrophobicContact CG1-CG 3.83Å; V394-L411 HydrophobicContact CG2-CD1 4.21Å; V394-L411 HydrophobicContact CG2-CD2 3.7Å; V394-L411 HydrophobicContact CG2-CG 3.76Å; V394-I427 HydrophobicContact CG2-CD1 4.49Å
395	W	96.6	Very high	92.5	Very high	61 Å²	61	58.7 Å²	58.7	23%	0.231	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	173.9	-71.4	93.1	0	0	0	109.5	H318 C344 Y345 L346 E397 Y407 P408 Q409	H318-W395 HydrophobicContact CB-CH2 4.07Å; H318-W395 HydrophobicContact CB-CZ3 3.67Å; H318-W395 AromaticContact CD2-CH2 3.8Å; H318-W395 AromaticContact CD2-CZ3 3.84Å; H318-W395 AromaticContact CG-CH2 3.62Å; H318-W395 AromaticContact CG-CZ3 3.66Å; H318-W395 AromaticContact ND1-CH2 3.8Å; C344-W395 HydrophobicContact CB-CE3 4.01Å; C344-W395 HydrophobicContact CB-CZ3 4.15Å; Y345-W395 CarbonylContact O-C 3.51Å; Y345-W395 WeakPolarHBondContact O-CA 3.49Å; L346-W395 HydrophobicContact CB-CD2 4.5Å; L346-W395 HydrophobicContact CB-CE3 4.22Å; L346-W395 HydrophobicContact CB-CH2 4.26Å; L346-W395 HydrophobicContact CB-CZ3 4.1Å; L346-W395 HydrophobicContact CD1-CD2 4.03Å; L346-W395 HydrophobicContact CD1-CG 4.33Å; L346-W395 HydrophobicContact CD1-CZ2 4.13Å; L346-W395 HydrophobicContact CD2-CH2 4.47Å; L346-W395 HydrophobicContact CD2-CZ2 4.27Å; W395-E397 HydrophobicContact CB-CG 3.97Å; W395-Y407 VanDerWaalsContact O-O 3.06Å; W395-P408 CarbonylContact O-C 3.57Å; W395-P408 WeakPolarHBondContact O-CA 3.41Å; W395-Q409 HydrophobicContact CB-CB 4.12Å; W395-Q409 PolarHBondContact N-O 3.12Å; W395-Q409 PolarHBondContact O-N 3.32Å
396	L	97.1	Very high	93.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.9	171.4	-51.2	176.1	0	0	0	107.5	V310 L312 Y345 T347 V394 P408 P429 L430	V310-L396 HydrophobicContact CG1-CD1 4.08Å; L312-L396 HydrophobicContact CD2-CD1 3.97Å; Y345-L396 PolarHBondContact N-O 2.84Å; Y345-L396 VanDerWaalsContact N-O 3.12Å; Y345-L396 PolarHBondContact O-N 3.19Å; T347-L396 HydrophobicContact CG2-CG 4.49Å; V394-L396 HydrophobicContact CG1-CD2 4.18Å; L396-P408 HydrophobicContact CD2-CB 3.94Å; L396-P429 HydrophobicContact CD1-CB 4.38Å; L396-L430 HydrophobicContact CD1-CD2 3.97Å; L396-L430 HydrophobicContact CD2-CD1 4.21Å; L396-L430 HydrophobicContact CD2-CD2 3.95Å
397	E	96.8	Very high	93.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.5	-171.1	-49.5	-169.1	147.3	0	0	109.7	N137 P138 R185 Q187 W395 Y407 Q409	N137-E397 PolarHBondContact ND2-OE2 3.25Å; N137-E397 PolarHBondContact OD1-OE2 3.06Å; P138-E397 HydrophobicContact CG-CB 4.34Å; R185-E397 IonicContact CZ-OE1 2.74Å; R185-E397 IonicContact NH1-OE1 3.48Å; R185-E397 PolarHBondContact NH1-OE1 3.47Å; R185-E397 IonicContact NH2-OE1 3.97Å; R185-E397 PolarHBondContact NH2-OE1 2.94Å; R185-E397 IonicContact NH2-OE2 3.34Å; R185-E397 PolarHBondContact NH2-OE2 3.27Å; Q187-E397 PolarHBondContact NE2-OE1 2.75Å; Q187-E397 PolarHBondContact NE2-OE2 2.78Å; Q187-E397 PolarHBondContact OE1-OE2 2.89Å; W395-E397 HydrophobicContact CB-CG 3.97Å; E397-Y407 PolarHBondContact N-O 3Å; E397-Y407 PolarHBondContact O-N 3.43Å; E397-Q409 HydrophobicContact CG-CB 4.4Å
398	P	95.9	Very high	94.1	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.6	171.9	-22	33.1	0	0	0	112	I168 L342 L406	I168-P398 HydrophobicContact CD1-CB 4.39Å; L342-P398 HydrophobicContact CB-CG 4.31Å; L342-P398 HydrophobicContact CD1-CB 3.96Å; L342-P398 HydrophobicContact CD1-CG 4.3Å; P398-L406 HydrophobicContact CG-CD2 4.32Å
399	E	95.3	Very high	94.4	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.051	24%	0.242	C	C	.	.	S	Bend	trans	-89.5	-5.6	179.3	-57.5	-149	148.8	0	0	114.7	P138 R190 R304 L405 Y407	P138-E399 HydrophobicContact CG-CG 4.34Å; R190-E399 IonicContact CZ-OE1 3.22Å; R190-E399 IonicContact CZ-OE2 3.38Å; R190-E399 PolarHBondContact N-O 3.36Å; R190-E399 VanDerWaalsContact N-O 3.08Å; R190-E399 IonicContact NE-OE1 3.68Å; R190-E399 PolarHBondContact NE-OE1 3.35Å; R190-E399 IonicContact NE-OE2 2.83Å; R190-E399 PolarHBondContact NE-OE2 3.47Å; R190-E399 VanDerWaalsContact NH2-CD 3.3Å; R190-E399 IonicContact NH2-OE1 3.49Å; R190-E399 PolarHBondContact NH2-OE1 2.85Å; R190-E399 IonicContact NH2-OE2 3.56Å; R304-E399 WeakPolarHBondContact CD-OE1 3.37Å; R304-E399 IonicContact CZ-OE1 3.75Å; R304-E399 IonicContact NE-OE1 3.83Å; R304-E399 PolarHBondContact NE-OE1 2.89Å; E399-L405 HydrophobicContact CB-CB 4.38Å; E399-L405 HydrophobicContact CG-CB 4.02Å; E399-L405 PolarHBondContact N-O 3.3Å; E399-Y407 WeakPolarHBondContact OE1-CD2 3.39Å
400	G	93.7	Very high	94.6	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.218	C	C	.	.			trans	173.9	172.3	-179.6	0	0	0	0	0	111.9	D189	D189-G400 WeakPolarHBondContact OD2-CA 3.4Å
401	L	90.9	Very high	94.7	Very high	56 Å²	56	34 Å²	34	29%	0.293	19%	0.187	S	C	.	.	S	Bend	trans	-72.1	-35	178.3	-76.5	162.6	0	0	0	112.1	I168 D189 R192 L342	I168-L401 HydrophobicContact CB-CG 4.5Å; I168-L401 HydrophobicContact CG2-CD1 3.95Å; I168-L401 HydrophobicContact CG2-CD2 4.34Å; I168-L401 HydrophobicContact CG2-CG 3.7Å; D189-L401 PolarHBondContact OD2-N 3.2Å; R192-L401 VanDerWaalsContact NH1-CD1 3.33Å; L342-L401 HydrophobicContact CD1-CD2 3.93Å; L342-L401 HydrophobicContact CD2-CD2 4.24Å; L342-L401 HydrophobicContact CG-CD2 3.82Å
402	T	90.6	Very high	94.8	Very high	108 Å²	108	30.7 Å²	30.7	66%	0.663	17%	0.165	S	C	*	.	S	Bend	trans	-107.2	8.7	-178.2	57	0	0	0	0	112.7
403	S	93.3	Very high	94.6	Very high	34 Å²	34	29.6 Å²	29.6	24%	0.238	16%	0.16	C	C	.	.			trans	-91.7	133	-178	-176.6	0	0	0	0	110.7	L405	S403-L405 PolarHBondContact O-N 3.4Å; S403-L405 PolarHBondContact OG-N 3.03Å
404	D	95.2	Very high	94.4	Very high	104 Å²	104	24.6 Å²	24.6	56%	0.556	14%	0.136	S	C	*	.			trans	-84.1	9.4	173.6	-54.7	-37.3	0	0	0	112.1	K307	K307-D404 VanDerWaalsContact CB-O 3.23Å; K307-D404 WeakPolarHBondContact CB-O 3.32Å; K307-D404 PolarHBondContact N-O 2.65Å
405	L	96.7	Very high	94.1	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.168	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.7	-176.9	-56.9	-178.1	0	0	0	112.6	L305 L306 E399 S403 H436	L305-L405 CarbonylContact O-C 3.56Å; L305-L405 WeakPolarHBondContact O-CA 3.42Å; L306-L405 HydrophobicContact CD2-CD2 4.01Å; E399-L405 HydrophobicContact CB-CB 4.38Å; E399-L405 HydrophobicContact CG-CB 4.02Å; E399-L405 PolarHBondContact N-O 3.3Å; S403-L405 PolarHBondContact O-N 3.4Å; S403-L405 PolarHBondContact OG-N 3.03Å; L405-H436 HydrophobicContact CD2-CB 3.81Å
406	L	96.6	Very high	93.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138	168	-68.6	176	0	0	0	110.6	L305 K307 V310 L312 P398 P408	L305-L406 HydrophobicContact CB-CB 4.4Å; L305-L406 PolarHBondContact N-O 3.49Å; L305-L406 PolarHBondContact O-N 2.95Å; K307-L406 HydrophobicContact CB-CD1 4.27Å; K307-L406 HydrophobicContact CB-CG 4.03Å; K307-L406 HydrophobicContact CG-CD1 4.12Å; K307-L406 HydrophobicContact CG-CD2 4.37Å; K307-L406 HydrophobicContact CG-CG 4.09Å; V310-L406 HydrophobicContact CB-CD1 4.03Å; V310-L406 HydrophobicContact CG1-CD1 4.11Å; V310-L406 HydrophobicContact CG2-CD1 4.08Å; L312-L406 HydrophobicContact CD2-CD1 4.19Å; P398-L406 HydrophobicContact CG-CD2 4.32Å; L406-P408 WeakPolarHBondContact O-CD 3.36Å
407	Y	97.3	Very high	93.8	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.7	173	-171.8	-81.8	0	0	0	109.9	C136 N137 P138 P302 W395 E397 E399 Q409	C136-Y407 WeakPolarHBondContact O-CE2 3.34Å; C136-Y407 PolarHBondContact SG-OH 3.12Å; N137-Y407 HydrophobicContact CB-CE1 4.31Å; N137-Y407 PolarHBondContact N-OH 3.16Å; N137-Y407 WeakPolarHBondContact OD1-CD1 3.28Å; N137-Y407 WeakPolarHBondContact OD1-CE1 3.41Å; P138-Y407 HydrophobicContact CG-CG 4.27Å; P302-Y407 VanDerWaalsContact CD-CZ 3.43Å; P302-Y407 WeakPolarHBondContact CD-OH 3.31Å; P302-Y407 HydrophobicContact CG-CD1 4.15Å; P302-Y407 HydrophobicContact CG-CD2 4.16Å; P302-Y407 HydrophobicContact CG-CE1 3.49Å; P302-Y407 VanDerWaalsContact CG-CE1 3.49Å; P302-Y407 HydrophobicContact CG-CE2 3.55Å; P302-Y407 HydrophobicContact CG-CG 4.44Å; P302-Y407 WeakPolarHBondContact CG-OH 3.35Å; W395-Y407 VanDerWaalsContact O-O 3.06Å; E397-Y407 PolarHBondContact N-O 3Å; E397-Y407 PolarHBondContact O-N 3.43Å; E399-Y407 WeakPolarHBondContact OE1-CD2 3.39Å; Y407-Q409 HydrophobicContact CD1-CB 3.83Å; Y407-Q409 HydrophobicContact CE1-CB 3.76Å; Y407-Q409 HydrophobicContact CE1-CG 4.3Å; Y407-Q409 PolarHBondContact O-N 3.29Å; Y407-Q409 VanDerWaalsContact O-N 3.09Å
408	P	96.6	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	81.2	176.8	33.6	-32.1	0	0	0	110.3	P302 P303 L305 V394 W395 L396 L406 G410 L411	P302-P408 HydrophobicContact CB-CG 4.04Å; P303-P408 WeakPolarHBondContact O-CD 3.45Å; L305-P408 HydrophobicContact CD1-CB 4.1Å; L305-P408 HydrophobicContact CD1-CG 3.89Å; L305-P408 HydrophobicContact CG-CG 4.05Å; V394-P408 HydrophobicContact CG1-CB 4.14Å; W395-P408 CarbonylContact O-C 3.57Å; W395-P408 WeakPolarHBondContact O-CA 3.41Å; L396-P408 HydrophobicContact CD2-CB 3.94Å; L406-P408 WeakPolarHBondContact O-CD 3.36Å; P408-G410 PolarHBondContact O-N 2.9Å; P408-L411 HydrophobicContact CB-CB 4.37Å; P408-L411 HydrophobicContact CB-CD1 4.01Å; P408-L411 HydrophobicContact CB-CG 4.45Å; P408-L411 HydrophobicContact CG-CB 4.49Å; P408-L411 PolarHBondContact O-N 2.89Å; P408-L411 VanDerWaalsContact O-N 3.09Å
409	Q	94.5	Very high	93.6	Very high	57 Å²	57	31 Å²	31	27%	0.266	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	128.3	177.7	-176.5	-161.3	73.5	0	0	109.9	N137 V394 W395 E397 Y407	N137-Q409 PolarHBondContact ND2-NE2 3.32Å; N137-Q409 PolarHBondContact OD1-NE2 3.04Å; V394-Q409 WeakPolarHBondContact CA-O 3.3Å; W395-Q409 HydrophobicContact CB-CB 4.12Å; W395-Q409 PolarHBondContact N-O 3.12Å; W395-Q409 PolarHBondContact O-N 3.32Å; E397-Q409 HydrophobicContact CG-CB 4.4Å; Y407-Q409 HydrophobicContact CD1-CB 3.83Å; Y407-Q409 HydrophobicContact CE1-CB 3.76Å; Y407-Q409 HydrophobicContact CE1-CG 4.3Å; Y407-Q409 PolarHBondContact O-N 3.29Å; Y407-Q409 VanDerWaalsContact O-N 3.09Å
410	G	91.2	Very high	93.6	Very high	15 Å²	15	30.4 Å²	30.4	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	6	-173.3	0	0	0	0	0	113.7	R383 P408	R383-G410 PolarHBondContact NH1-O 3.35Å; R383-G410 VanDerWaalsContact NH2-C 3.29Å; R383-G410 PolarHBondContact NH2-O 2.96Å; P408-G410 PolarHBondContact O-N 2.9Å
411	L	93.8	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.			trans	-119.5	35.6	171	-65	-177	0	0	0	113.1	P302 T349 I380 V394 P408 M413 I424 I427 L430	P302-L411 WeakPolarHBondContact CA-O 3.42Å; P302-L411 HydrophobicContact CB-CB 4.47Å; P302-L411 WeakPolarHBondContact CB-O 3.49Å; T349-L411 HydrophobicContact CG2-CD2 4.08Å; I380-L411 HydrophobicContact CB-CD2 4.43Å; I380-L411 HydrophobicContact CD1-CD2 4.34Å; I380-L411 HydrophobicContact CG1-CD2 4.12Å; V394-L411 HydrophobicContact CB-CG 4.47Å; V394-L411 HydrophobicContact CG1-CD1 3.85Å; V394-L411 HydrophobicContact CG1-CG 3.83Å; V394-L411 HydrophobicContact CG2-CD1 4.21Å; V394-L411 HydrophobicContact CG2-CD2 3.7Å; V394-L411 HydrophobicContact CG2-CG 3.76Å; P408-L411 HydrophobicContact CB-CB 4.37Å; P408-L411 HydrophobicContact CB-CD1 4.01Å; P408-L411 HydrophobicContact CB-CG 4.45Å; P408-L411 HydrophobicContact CG-CB 4.49Å; P408-L411 PolarHBondContact O-N 2.89Å; P408-L411 VanDerWaalsContact O-N 3.09Å; L411-M413 HydrophobicContact CB-CE 3.75Å; L411-M413 WeakPolarHBondContact O-CE 3.28Å; L411-M413 PolarHBondContact O-N 2.85Å; L411-I424 HydrophobicContact CD1-CG1 4.25Å; L411-I427 HydrophobicContact CD1-CD1 3.52Å; L411-I427 HydrophobicContact CD2-CD1 4.03Å; L411-I427 HydrophobicContact CG-CD1 4.4Å; L411-L430 HydrophobicContact CD1-CD1 4.3Å
412	S	92.5	Very high	94	Very high	14 Å²	14	35.1 Å²	35.1	10%	0.098	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-58.1	128.9	170.8	-59.9	0	0	0	0	109.7	S379 I380	S379-S412 CarbonylContact C-O 3.53Å; S379-S412 WeakPolarHBondContact CA-O 3.39Å; S379-S412 WeakPolarHBondContact CB-O 3.24Å; I380-S412 PolarHBondContact N-O 3.35Å
413	M	91.2	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.			trans	-153.8	157.3	-175.1	63.5	-173.6	83.4	0	0	111.1	P303 I380 E381 L411 M415 Q420 L423 I424 G439 Y440	P303-M413 HydrophobicContact CG-CE 4.19Å; P303-M413 HydrophobicContact CG-SD 4.46Å; I380-M413 HydrophobicContact CG2-CB 3.94Å; I380-M413 HydrophobicContact CG2-CE 4.41Å; E381-M413 WeakPolarHBondContact OE2-CA 3.36Å; L411-M413 HydrophobicContact CB-CE 3.75Å; L411-M413 WeakPolarHBondContact O-CE 3.28Å; L411-M413 PolarHBondContact O-N 2.85Å; M413-M415 HydrophobicContact CB-CE 3.76Å; M413-M415 HydrophobicContact CG-CE 4.18Å; M413-M415 HydrophobicContact SD-CE 3.64Å; M413-Q420 HydrophobicContact CG-CG 3.92Å; M413-Q420 HydrophobicContact SD-CB 3.61Å; M413-Q420 HydrophobicContact SD-CG 3.45Å; M413-Q420 WeakPolarHBondContact SD-CG 3.28Å; M413-L423 HydrophobicContact CE-CD2 4.07Å; M413-I424 HydrophobicContact CE-CD1 3.92Å; M413-I424 HydrophobicContact CE-CG1 4.06Å; M413-I424 HydrophobicContact SD-CD1 4.5Å; M413-G439 CarbonylContact O-C 3.41Å; M413-Y440 PolarHBondContact O-N 3.18Å
414	T	90	Very high	94.4	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	15%	0.15	C	C	.	.			trans	-123	6.8	-177.7	59.3	0	0	0	0	113.4	G264 H366 E381	G264-T414 PolarHBondContact N-O 2.94Å; H366-T414 HydrophobicContact CB-CG2 4.46Å; E381-T414 PolarHBondContact OE1-N 2.77Å; E381-T414 PolarHBondContact OE1-OG1 3.38Å; E381-T414 PolarHBondContact OE2-N 3.03Å
415	M	90.8	Very high	94.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-67	164	-178.2	-64.4	170.6	-67.1	0	0	113.6	S360 N364 M413 V419 Q420 L423	S360-M415 PolarHBondContact OG-SD 3.38Å; S360-M415 VanDerWaalsContact OG-SD 3.34Å; N364-M415 WeakPolarHBondContact ND2-CG 3.35Å; N364-M415 WeakPolarHBondContact OD1-CA 3.49Å; N364-M415 VanDerWaalsContact OD1-CG 3.29Å; N364-M415 WeakPolarHBondContact OD1-CG 3.38Å; M413-M415 HydrophobicContact CB-CE 3.76Å; M413-M415 HydrophobicContact CG-CE 4.18Å; M413-M415 HydrophobicContact SD-CE 3.64Å; M415-V419 HydrophobicContact CB-CB 4.17Å; M415-V419 HydrophobicContact CB-CG1 4.05Å; M415-V419 HydrophobicContact CG-CG1 4.3Å; M415-V419 HydrophobicContact SD-CG1 3.69Å; M415-Q420 HydrophobicContact CB-CG 4.18Å; M415-Q420 PolarHBondContact O-NE2 3.48Å; M415-L423 HydrophobicContact CE-CD1 3.37Å; M415-L423 HydrophobicContact SD-CD1 4.25Å
416	P	92.7	Very high	94.5	Very high	23 Å²	23	29.9 Å²	29.9	15%	0.149	15%	0.149	C	C	.	.			trans	-55.2	147	169.6	-26.9	36.6	0	0	0	113.4	L363 D418 V419 Q420	L363-P416 HydrophobicContact CB-CG 4.3Å; L363-P416 HydrophobicContact CD1-CG 4.3Å; P416-D418 VanDerWaalsContact C-N 3.3Å; P416-D418 WeakPolarHBondContact CB-OD1 2.8Å; P416-D418 PolarHBondContact O-N 3.22Å; P416-V419 HydrophobicContact CB-CG2 4.29Å; P416-V419 HydrophobicContact CG-CG2 4.44Å; P416-V419 WeakPolarHBondContact O-CB 3.16Å; P416-V419 PolarHBondContact O-N 3.45Å; P416-Q420 WeakPolarHBondContact O-CG 3.18Å; P416-Q420 PolarHBondContact O-N 3.31Å
417	P	93.5	Very high	94.6	Very high	64 Å²	64	29.9 Å²	29.9	42%	0.416	15%	0.149	S	C	.	.	H	α-helix	trans	-56.1	-37.1	-173.3	-27.3	35.9	0	0	0	115.2	V263 Q420 L421 P438	V263-P417 HydrophobicContact CG1-CG 4.21Å; P417-Q420 PolarHBondContact O-N 2.73Å; P417-L421 PolarHBondContact O-N 2.88Å; P417-P438 HydrophobicContact CB-CB 4.3Å; P417-P438 HydrophobicContact CG-CB 4.11Å
418	D	94.3	Very high	94.5	Very high	112 Å²	112	32.6 Å²	32.6	60%	0.599	17%	0.167	S	C	*	.	H	α-helix	trans	-63	-41.9	176.2	60.5	-57.8	0	0	0	111.8	P416 L421 R422	P416-D418 VanDerWaalsContact C-N 3.3Å; P416-D418 WeakPolarHBondContact CB-OD1 2.8Å; P416-D418 PolarHBondContact O-N 3.22Å; D418-L421 PolarHBondContact O-N 3.34Å; D418-R422 WeakPolarHBondContact O-CB 3.29Å; D418-R422 PolarHBondContact O-N 2.91Å
419	V	94.9	Very high	94.5	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-38.9	175.7	-179.5	0	0	0	0	111.1	V356 L363 M415 P416 L421 R422 L423	V356-V419 HydrophobicContact CG1-CG1 3.91Å; L363-V419 HydrophobicContact CD1-CG2 4.2Å; M415-V419 HydrophobicContact CB-CB 4.17Å; M415-V419 HydrophobicContact CB-CG1 4.05Å; M415-V419 HydrophobicContact CG-CG1 4.3Å; M415-V419 HydrophobicContact SD-CG1 3.69Å; P416-V419 HydrophobicContact CB-CG2 4.29Å; P416-V419 HydrophobicContact CG-CG2 4.44Å; P416-V419 WeakPolarHBondContact O-CB 3.16Å; P416-V419 PolarHBondContact O-N 3.45Å; V419-L421 VanDerWaalsContact C-N 3.32Å; V419-L421 PolarHBondContact O-N 2.82Å; V419-R422 PolarHBondContact O-N 2.78Å; V419-L423 WeakPolarHBondContact O-CB 3.27Å; V419-L423 PolarHBondContact O-N 3.35Å
420	Q	95.6	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-45.8	175.6	-61.3	-170	22.1	0	0	111.1	M413 M415 P416 P417 L423 I424 I435 G439	M413-Q420 HydrophobicContact CG-CG 3.92Å; M413-Q420 HydrophobicContact SD-CB 3.61Å; M413-Q420 HydrophobicContact SD-CG 3.45Å; M413-Q420 WeakPolarHBondContact SD-CG 3.28Å; M415-Q420 HydrophobicContact CB-CG 4.18Å; M415-Q420 PolarHBondContact O-NE2 3.48Å; P416-Q420 WeakPolarHBondContact O-CG 3.18Å; P416-Q420 PolarHBondContact O-N 3.31Å; P417-Q420 PolarHBondContact O-N 2.73Å; Q420-L423 PolarHBondContact O-N 2.89Å; Q420-I424 WeakPolarHBondContact O-CB 3.29Å; Q420-I424 WeakPolarHBondContact O-CD1 3.21Å; Q420-I424 WeakPolarHBondContact O-CG1 3.44Å; Q420-I424 PolarHBondContact O-N 2.93Å; Q420-I435 HydrophobicContact CB-CD1 3.88Å; Q420-G439 PolarHBondContact NE2-O 2.82Å
421	L	96.4	Very high	94.9	Very high	46 Å²	46	32.5 Å²	32.5	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-46	178	-173.5	63.4	0	0	0	111.1	P417 D418 V419 L423 I424 R425 A433 I435	P417-L421 PolarHBondContact O-N 2.88Å; D418-L421 PolarHBondContact O-N 3.34Å; V419-L421 VanDerWaalsContact C-N 3.32Å; V419-L421 PolarHBondContact O-N 2.82Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.4Å; L421-I424 PolarHBondContact O-N 2.82Å; L421-R425 WeakPolarHBondContact O-CG 3.12Å; L421-R425 PolarHBondContact O-N 3.28Å; L421-R425 VanDerWaalsContact O-N 3.09Å; L421-A433 VanDerWaalsContact CD1-O 3.28Å; L421-A433 WeakPolarHBondContact CD1-O 3.4Å; L421-I435 HydrophobicContact CB-CD1 4Å; L421-I435 HydrophobicContact CD1-CD1 4.15Å; L421-I435 HydrophobicContact CD1-CG1 4.06Å
422	R	96.6	Very high	95.1	Very high	112 Å²	112	41.1 Å²	41.1	42%	0.423	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-44.7	176.3	-166.5	175	73.1	169.2	15.4	111.9	V356 E359 D418 V419	V356-R422 HydrophobicContact CG2-CG 4.35Å; E359-R422 IonicContact OE2-CZ 3.57Å; E359-R422 IonicContact OE2-NH1 3.9Å; E359-R422 IonicContact OE2-NH2 2.84Å; E359-R422 PolarHBondContact OE2-NH2 2.91Å; D418-R422 WeakPolarHBondContact O-CB 3.29Å; D418-R422 PolarHBondContact O-N 2.91Å; V419-R422 PolarHBondContact O-N 2.78Å
423	L	96.1	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-47.4	177.9	-176.8	155.2	0	0	0	111.6	V353 V356 V357 I380 M413 M415 V419 Q420 L421 R425 E426	V353-L423 HydrophobicContact CB-CG 4.47Å; V353-L423 HydrophobicContact CG1-CD1 4.03Å; V353-L423 HydrophobicContact CG1-CD2 3.85Å; V353-L423 HydrophobicContact CG1-CG 3.87Å; V353-L423 HydrophobicContact CG2-CD2 4.27Å; V353-L423 HydrophobicContact CG2-CG 4.47Å; V356-L423 HydrophobicContact CB-CB 4.34Å; V356-L423 HydrophobicContact CG1-CB 3.8Å; V356-L423 HydrophobicContact CG1-CG 4.47Å; V357-L423 HydrophobicContact CG2-CD1 3.6Å; I380-L423 HydrophobicContact CG2-CD1 4.27Å; M413-L423 HydrophobicContact CE-CD2 4.07Å; M415-L423 HydrophobicContact CE-CD1 3.37Å; M415-L423 HydrophobicContact SD-CD1 4.25Å; V419-L423 WeakPolarHBondContact O-CB 3.27Å; V419-L423 PolarHBondContact O-N 3.35Å; Q420-L423 PolarHBondContact O-N 2.89Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.4Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.44Å; L423-E426 WeakPolarHBondContact O-CB 3.25Å; L423-E426 PolarHBondContact O-N 3.07Å
424	I	96.4	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-174.9	-76.9	163.1	0	0	0	111.2	P303 L305 L411 M413 Q420 L421 E426 I427 L430 A433 I435	P303-I424 HydrophobicContact CB-CD1 4.39Å; P303-I424 HydrophobicContact CG-CD1 3.29Å; L305-I424 HydrophobicContact CD1-CG2 4.38Å; L305-I424 HydrophobicContact CD2-CD1 4.14Å; L305-I424 HydrophobicContact CD2-CG2 4.42Å; L411-I424 HydrophobicContact CD1-CG1 4.25Å; M413-I424 HydrophobicContact CE-CD1 3.92Å; M413-I424 HydrophobicContact CE-CG1 4.06Å; M413-I424 HydrophobicContact SD-CD1 4.5Å; Q420-I424 WeakPolarHBondContact O-CB 3.29Å; Q420-I424 WeakPolarHBondContact O-CD1 3.21Å; Q420-I424 WeakPolarHBondContact O-CG1 3.44Å; Q420-I424 PolarHBondContact O-N 2.93Å; L421-I424 PolarHBondContact O-N 2.82Å; I424-E426 PolarHBondContact O-N 2.69Å; I424-I427 WeakPolarHBondContact O-CB 3.47Å; I424-I427 PolarHBondContact O-N 3.14Å; I424-L430 HydrophobicContact CG2-CB 3.67Å; I424-L430 HydrophobicContact CG2-CD1 3.76Å; I424-L430 HydrophobicContact CG2-CG 4.29Å; I424-L430 WeakPolarHBondContact O-CB 3.42Å; I424-A433 HydrophobicContact CG2-CB 3.92Å; I424-I435 HydrophobicContact CD1-CD1 4.06Å; I424-I435 HydrophobicContact CD1-CG1 4.46Å
425	R	97.3	Very high	95.9	Very high	104 Å²	104	47.3 Å²	47.3	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-69.1	-11.9	179	-70.2	178.8	175.4	177.6	-5.3	114.3	L421 L423 I427 L430 H431 A433	L421-R425 WeakPolarHBondContact O-CG 3.12Å; L421-R425 PolarHBondContact O-N 3.28Å; L421-R425 VanDerWaalsContact O-N 3.09Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.44Å; R425-I427 PolarHBondContact O-N 2.83Å; R425-L430 WeakPolarHBondContact CA-O 3.15Å; R425-H431 WeakPolarHBondContact CG-O 3.37Å; R425-A433 PolarHBondContact NE-O 3.37Å; R425-A433 VanDerWaalsContact NE-O 3.15Å; R425-A433 PolarHBondContact NH2-O 3.31Å
426	E	97	Very high	96.1	Very high	64 Å²	64	52.8 Å²	52.8	30%	0.299	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.8	169.7	-62.6	-71.5	149.2	0	0	112.9	T350 G352 V353 R355 V356 L423 I424	T350-E426 VanDerWaalsContact CG2-O 3.26Å; T350-E426 WeakPolarHBondContact CG2-O 3.13Å; T350-E426 PolarHBondContact OG1-O 3.15Å; G352-E426 VanDerWaalsContact CA-OE2 3.29Å; G352-E426 WeakPolarHBondContact CA-OE2 3.47Å; V353-E426 HydrophobicContact CG2-CB 3.99Å; R355-E426 IonicContact NH1-OE1 3.54Å; R355-E426 IonicContact NH1-OE2 2.84Å; V356-E426 HydrophobicContact CG2-CG 4.14Å; L423-E426 WeakPolarHBondContact O-CB 3.25Å; L423-E426 PolarHBondContact O-N 3.07Å; I424-E426 PolarHBondContact O-N 2.69Å
427	I	97.2	Very high	96.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-93.9	125.2	179.2	-60.9	172.4	0	0	0	108.4	T347 T349 V353 V394 L411 I424 R425 L430 H431	T347-I427 HydrophobicContact CG2-CG2 3.79Å; T349-I427 HydrophobicContact CG2-CD1 4.32Å; V353-I427 HydrophobicContact CG2-CD1 4.14Å; V353-I427 HydrophobicContact CG2-CG1 3.68Å; V394-I427 HydrophobicContact CG2-CD1 4.49Å; L411-I427 HydrophobicContact CD1-CD1 3.52Å; L411-I427 HydrophobicContact CD2-CD1 4.03Å; L411-I427 HydrophobicContact CG-CD1 4.4Å; I424-I427 WeakPolarHBondContact O-CB 3.47Å; I424-I427 PolarHBondContact O-N 3.14Å; R425-I427 PolarHBondContact O-N 2.83Å; I427-L430 HydrophobicContact CB-CB 4.2Å; I427-L430 HydrophobicContact CB-CD1 4.08Å; I427-L430 HydrophobicContact CB-CG 4.24Å; I427-L430 HydrophobicContact CD1-CD1 4.15Å; I427-L430 HydrophobicContact CG2-CB 4.47Å; I427-L430 HydrophobicContact CG2-CD1 3.97Å; I427-L430 HydrophobicContact CG2-CG 4.04Å; I427-L430 CarbonylContact O-C 3.47Å; I427-L430 WeakPolarHBondContact O-CA 3.29Å; I427-L430 PolarHBondContact O-N 3.48Å; I427-H431 PolarHBondContact O-N 3.01Å
428	P	96.5	Very high	96.2	Very high	64 Å²	64	52.1 Å²	52.1	42%	0.416	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-57.8	-46.6	-164.3	-21.7	29.2	0	0	0	115.4	T350 L430 H431	T350-P428 HydrophobicContact CG2-CG 4.2Å; P428-L430 PolarHBondContact O-N 3.27Å; P428-L430 VanDerWaalsContact O-N 3.14Å; P428-H431 PolarHBondContact O-N 3.49Å; P428-H431 PolarHBondContact O-ND1 2.96Å
429	P	96.7	Very high	96.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.8	-22.2	173.5	-26.5	36.4	0	0	0	114.6	D311 L314 A315 T347 L396	D311-P429 PolarHBondContact N-O 2.89Å; D311-P429 WeakPolarHBondContact O-CA 3.32Å; D311-P429 WeakPolarHBondContact O-CB 3.41Å; L314-P429 HydrophobicContact CB-CB 4.37Å; L314-P429 HydrophobicContact CB-CG 3.96Å; A315-P429 HydrophobicContact CB-CB 4.19Å; A315-P429 HydrophobicContact CB-CG 3.83Å; T347-P429 HydrophobicContact CG2-CG 4.32Å; T347-P429 WeakPolarHBondContact OG1-CD 3.18Å; T347-P429 WeakPolarHBondContact OG1-CG 3.39Å; L396-P429 HydrophobicContact CD1-CB 4.38Å
430	L	97.4	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-106	11.8	-171.5	-50.9	-179.1	0	0	0	112.6	L305 V310 L396 L411 I424 R425 I427 P428 R432 A433	L305-L430 HydrophobicContact CD1-CD1 4.1Å; L305-L430 HydrophobicContact CD1-CD2 3.89Å; V310-L430 HydrophobicContact CB-CD2 4.28Å; V310-L430 HydrophobicContact CG1-CD2 3.64Å; V310-L430 HydrophobicContact CG2-CD2 3.66Å; L396-L430 HydrophobicContact CD1-CD2 3.97Å; L396-L430 HydrophobicContact CD2-CD1 4.21Å; L396-L430 HydrophobicContact CD2-CD2 3.95Å; L411-L430 HydrophobicContact CD1-CD1 4.3Å; I424-L430 HydrophobicContact CG2-CB 3.67Å; I424-L430 HydrophobicContact CG2-CD1 3.76Å; I424-L430 HydrophobicContact CG2-CG 4.29Å; I424-L430 WeakPolarHBondContact O-CB 3.42Å; R425-L430 WeakPolarHBondContact CA-O 3.15Å; I427-L430 HydrophobicContact CB-CB 4.2Å; I427-L430 HydrophobicContact CB-CD1 4.08Å; I427-L430 HydrophobicContact CB-CG 4.24Å; I427-L430 HydrophobicContact CD1-CD1 4.15Å; I427-L430 HydrophobicContact CG2-CB 4.47Å; I427-L430 HydrophobicContact CG2-CD1 3.97Å; I427-L430 HydrophobicContact CG2-CG 4.04Å; I427-L430 CarbonylContact O-C 3.47Å; I427-L430 WeakPolarHBondContact O-CA 3.29Å; I427-L430 PolarHBondContact O-N 3.48Å; P428-L430 PolarHBondContact O-N 3.27Å; P428-L430 VanDerWaalsContact O-N 3.14Å; L430-R432 PolarHBondContact O-N 2.96Å; L430-R432 VanDerWaalsContact O-N 3.11Å; L430-A433 HydrophobicContact CB-CB 3.93Å; L430-A433 HydrophobicContact CD2-CB 4.49Å; L430-A433 WeakPolarHBondContact O-CB 3.31Å; L430-A433 PolarHBondContact O-N 3.42Å
431	H	96.5	Very high	95.8	Very high	70 Å²	70	47.7 Å²	47.7	32%	0.324	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.9	-176.1	70.5	-78.3	0	0	0	114.1	D311 R425 I427 P428	D311-H431 IonicContact OD2-CE1 3.44Å; R425-H431 WeakPolarHBondContact CG-O 3.37Å; I427-H431 PolarHBondContact O-N 3.01Å; P428-H431 PolarHBondContact O-N 3.49Å; P428-H431 PolarHBondContact O-ND1 2.96Å
432	R	96.6	Very high	95.4	Very high	181 Å²	181	45.9 Å²	45.9	68%	0.683	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	6.7	174.3	-72.7	169.3	-162.1	-160.5	0.7	113.8	S309 L430	S309-R432 CarbonylContact O-C 3.55Å; L430-R432 PolarHBondContact O-N 2.96Å; L430-R432 VanDerWaalsContact O-N 3.11Å
433	A	96.6	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.			trans	-60.3	144.1	-171.3	0	0	0	0	0	111.9	S309 V310 L421 I424 R425 L430	S309-A433 PolarHBondContact O-N 3.46Å; S309-A433 WeakPolarHBondContact OG-CA 3.38Å; V310-A433 HydrophobicContact CG2-CB 4.17Å; L421-A433 VanDerWaalsContact CD1-O 3.28Å; L421-A433 WeakPolarHBondContact CD1-O 3.4Å; I424-A433 HydrophobicContact CG2-CB 3.92Å; R425-A433 PolarHBondContact NE-O 3.37Å; R425-A433 VanDerWaalsContact NE-O 3.15Å; R425-A433 PolarHBondContact NH2-O 3.31Å; L430-A433 HydrophobicContact CB-CB 3.93Å; L430-A433 HydrophobicContact CD2-CB 4.49Å; L430-A433 WeakPolarHBondContact O-CB 3.31Å; L430-A433 PolarHBondContact O-N 3.42Å
434	E	97.3	Very high	94.8	Very high	105 Å²	105	41.8 Å²	41.8	49%	0.491	20%	0.195	S	C	.	.			trans	-115.1	139.4	172.2	-66.6	-172.2	175.5	0	0	110	L305 L306 S309	L305-E434 WeakPolarHBondContact CA-O 3.23Å; L306-E434 HydrophobicContact CD1-CB 4.03Å; L306-E434 PolarHBondContact N-O 3.36Å; S309-E434 PolarHBondContact OG-N 3.47Å
435	I	96.7	Very high	94.5	Very high	42 Å²	42	41.8 Å²	41.8	22%	0.215	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.8	-179.7	-66	175.2	0	0	0	108.5	P303 L305 Q420 L421 I424 T437	P303-I435 HydrophobicContact CB-CD1 4.22Å; P303-I435 HydrophobicContact CB-CG1 4.25Å; P303-I435 HydrophobicContact CB-CG2 3.91Å; P303-I435 HydrophobicContact CG-CD1 4.46Å; L305-I435 HydrophobicContact CD2-CG1 3.93Å; Q420-I435 HydrophobicContact CB-CD1 3.88Å; L421-I435 HydrophobicContact CB-CD1 4Å; L421-I435 HydrophobicContact CD1-CD1 4.15Å; L421-I435 HydrophobicContact CD1-CG1 4.06Å; I424-I435 HydrophobicContact CD1-CD1 4.06Å; I424-I435 HydrophobicContact CD1-CG1 4.46Å; I435-T437 VanDerWaalsContact CG2-C 3.4Å; I435-T437 VanDerWaalsContact CG2-O 3.3Å; I435-T437 WeakPolarHBondContact CG2-O 3.3Å
436	H	95.6	Very high	94.3	Very high	116 Å²	116	38.2 Å²	38.2	54%	0.537	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-43.4	170.1	175.9	-86.6	0	0	0	111.3	R304 L306 L405	R304-H436 PolarHBondContact O-N 3.24Å; L306-H436 HydrophobicContact CD2-CB 3.99Å; L306-H436 HydrophobicContact CG-CB 4.27Å; L405-H436 HydrophobicContact CD2-CB 3.81Å
437	T	94	Very high	94.1	Very high	37 Å²	37	35.2 Å²	35.2	23%	0.227	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.9	178.9	-52.1	0	0	0	0	109.4	I273 P303 R304 I435	I273-T437 HydrophobicContact CD1-CG2 4.4Å; I273-T437 HydrophobicContact CG2-CG2 4.44Å; P303-T437 CarbonylContact C-O 3.5Å; P303-T437 WeakPolarHBondContact CA-O 3.48Å; P303-T437 WeakPolarHBondContact CB-O 3.31Å; R304-T437 PolarHBondContact N-O 3.04Å; R304-T437 PolarHBondContact O-N 2.93Å; I435-T437 VanDerWaalsContact CG2-C 3.4Å; I435-T437 VanDerWaalsContact CG2-O 3.3Å; I435-T437 WeakPolarHBondContact CG2-O 3.3Å
438	P	94.6	Very high	93.9	Very high	36 Å²	36	36.5 Å²	36.5	23%	0.234	18%	0.176	C	C	.	.			trans	-66.5	150.3	-179.9	28.6	-34.8	0	0	0	111.2	P417	P417-P438 HydrophobicContact CB-CB 4.3Å; P417-P438 HydrophobicContact CG-CB 4.11Å
439	G	93.7	Very high	93.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.			trans	-66.5	150.6	166.6	0	0	0	0	0	110.2	T301 M413 Q420	T301-G439 VanDerWaalsContact O-CA 3.31Å; T301-G439 WeakPolarHBondContact O-CA 3.44Å; M413-G439 CarbonylContact O-C 3.41Å; Q420-G439 PolarHBondContact NE2-O 2.82Å
440	Y	91.9	Very high	93.5	Very high	23 Å²	23	34.4 Å²	34.4	9%	0.09	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.6	-178.8	65	-90.7	0	0	0	111.2	L261 I273 G300 T301 M413	L261-Y440 HydrophobicContact CD2-CD2 3.79Å; L261-Y440 HydrophobicContact CD2-CE2 3.64Å; I273-Y440 HydrophobicContact CB-CD1 4.37Å; I273-Y440 HydrophobicContact CB-CE1 3.87Å; I273-Y440 HydrophobicContact CD1-CD1 4.4Å; I273-Y440 HydrophobicContact CG2-CD1 4.5Å; I273-Y440 HydrophobicContact CG2-CE1 3.71Å; G300-Y440 WeakPolarHBondContact CA-O 3.49Å; T301-Y440 HydrophobicContact CG2-CD1 3.58Å; T301-Y440 HydrophobicContact CG2-CD2 4.45Å; T301-Y440 HydrophobicContact CG2-CE1 3.44Å; T301-Y440 VanDerWaalsContact CG2-CE1 3.44Å; T301-Y440 HydrophobicContact CG2-CE2 4.32Å; T301-Y440 HydrophobicContact CG2-CG 4.1Å; T301-Y440 PolarHBondContact N-O 2.7Å; T301-Y440 PolarHBondContact O-N 3.39Å; M413-Y440 PolarHBondContact O-N 3.18Å
441	G	90	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	147.6	169.3	0	0	0	0	0	110.7	L261 F262 T299	L261-G441 CarbonylContact C-O 3.59Å; L261-G441 WeakPolarHBondContact CA-O 3.5Å; F262-G441 PolarHBondContact N-O 3.31Å; F262-G441 PolarHBondContact O-N 3.05Å; T299-G441 CarbonylContact O-C 3.4Å; T299-G441 WeakPolarHBondContact O-CA 3.31Å
442	V	89.1	Confident	93.1	Very high	9 Å²	9	32 Å²	32	6%	0.055	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.2	167.6	62.6	0	0	0	0	109.3	T255 S260 L261 R298 T299 Y444	T255-V442 HydrophobicContact CG2-CG1 4.02Å; S260-V442 WeakPolarHBondContact O-CA 3.19Å; L261-V442 HydrophobicContact CD2-CB 4.08Å; L261-V442 HydrophobicContact CD2-CG2 4.03Å; R298-V442 WeakPolarHBondContact CA-O 3.4Å; T299-V442 PolarHBondContact N-O 2.83Å; T299-V442 PolarHBondContact O-N 3.15Å; T299-V442 WeakPolarHBondContact OG1-CG1 3.21Å; V442-Y444 HydrophobicContact CG1-CD1 4.32Å; V442-Y444 HydrophobicContact CG2-CD1 4.46Å
443	Q	89.3	Confident	92.8	Very high	25 Å²	25	24.6 Å²	24.6	12%	0.117	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.3	167.4	-169.8	171.6	27.5	0	0	108.9	G259 S260 F262 R296 L297 R298	G259-Q443 CarbonylContact C-O 3.59Å; G259-Q443 VanDerWaalsContact CA-O 3.32Å; G259-Q443 WeakPolarHBondContact CA-O 3.47Å; S260-Q443 PolarHBondContact N-O 3.31Å; S260-Q443 PolarHBondContact O-N 3.23Å; F262-Q443 HydrophobicContact CD2-CB 4.33Å; F262-Q443 HydrophobicContact CE2-CB 3.58Å; F262-Q443 HydrophobicContact CZ-CB 4.45Å; R296-Q443 HydrophobicContact CB-CG 4.15Å; L297-Q443 VanDerWaalsContact O-CA 3.27Å; L297-Q443 WeakPolarHBondContact O-CA 3.34Å; R298-Q443 HydrophobicContact CG-CB 4.05Å; R298-Q443 HydrophobicContact CG-CG 3.86Å
444	Y	89.8	Confident	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.8	-178.1	57	-88.4	0	0	0	111	T255 R296 L297 T299 V442 Q469	T255-Y444 HydrophobicContact CG2-CD1 3.77Å; T255-Y444 HydrophobicContact CG2-CE1 3.82Å; T255-Y444 HydrophobicContact CG2-CG 4.35Å; T255-Y444 WeakPolarHBondContact O-CB 3.38Å; R296-Y444 WeakPolarHBondContact CA-O 3.47Å; L297-Y444 HydrophobicContact CB-CE1 4.49Å; L297-Y444 HydrophobicContact CB-CE2 4.15Å; L297-Y444 PolarHBondContact N-O 3.07Å; L297-Y444 PolarHBondContact O-N 3.39Å; T299-Y444 HydrophobicContact CG2-CE1 4.04Å; V442-Y444 HydrophobicContact CG1-CD1 4.32Å; V442-Y444 HydrophobicContact CG2-CD1 4.46Å; Y444-Q469 HydrophobicContact CE2-CB 4.17Å
445	D	90.9	Very high	92.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139	176.4	-77.2	11.7	0	0	0	110.4	L257 T283 R287 V294 G295 R296	L257-D445 HydrophobicContact CD2-CB 4.06Å; L257-D445 HydrophobicContact CG-CB 4.15Å; L257-D445 PolarHBondContact O-N 3.36Å; T283-D445 VanDerWaalsContact CG2-OD2 3.24Å; T283-D445 WeakPolarHBondContact CG2-OD2 3.13Å; R287-D445 IonicContact NH2-OD2 3.35Å; R287-D445 PolarHBondContact NH2-OD2 3.3Å; V294-D445 HydrophobicContact CG1-CB 3.71Å; G295-D445 WeakPolarHBondContact O-CA 3.19Å; R296-D445 VanDerWaalsContact CG-OD1 3.24Å; R296-D445 WeakPolarHBondContact CG-OD1 3.34Å; R296-D445 IonicContact CZ-OD1 3.49Å; R296-D445 IonicContact NE-OD1 2.76Å; R296-D445 PolarHBondContact NE-OD1 2.83Å; R296-D445 IonicContact NH2-OD1 3.37Å; R296-D445 PolarHBondContact NH2-OD1 2.86Å
446	Y	92.9	Very high	92.4	Very high	28 Å²	28	20.9 Å²	20.9	11%	0.11	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.5	172	83.2	-78	0	0	0	110.1	V294 G295 L297 I470 V521	V294-Y446 CarbonylContact C-O 3.18Å; V294-Y446 VanDerWaalsContact CA-O 3.29Å; V294-Y446 WeakPolarHBondContact CA-O 3.48Å; V294-Y446 WeakPolarHBondContact CG1-O 3.45Å; G295-Y446 VanDerWaalsContact CA-CE1 3.44Å; G295-Y446 PolarHBondContact N-O 2.99Å; G295-Y446 VanDerWaalsContact O-CD1 3.25Å; G295-Y446 WeakPolarHBondContact O-CD1 3.27Å; G295-Y446 PolarHBondContact O-N 2.82Å; L297-Y446 HydrophobicContact CB-CD1 4.35Å; L297-Y446 HydrophobicContact CD1-CD1 3.72Å; L297-Y446 HydrophobicContact CD1-CD2 4.18Å; L297-Y446 HydrophobicContact CD1-CE1 4.07Å; L297-Y446 HydrophobicContact CD1-CG 3.75Å; L297-Y446 HydrophobicContact CD2-CD1 4.39Å; L297-Y446 HydrophobicContact CD2-CE1 4.04Å; L297-Y446 HydrophobicContact CG-CD1 3.46Å; L297-Y446 VanDerWaalsContact CG-CD1 3.46Å; L297-Y446 HydrophobicContact CG-CE1 3.62Å; L297-Y446 HydrophobicContact CG-CG 4.05Å; Y446-I470 CarbonylContact C-O 3.59Å; Y446-I470 WeakPolarHBondContact CA-O 3.36Å; Y446-I470 WeakPolarHBondContact CB-O 3.35Å; Y446-V521 HydrophobicContact CD2-CG2 3.99Å; Y446-V521 HydrophobicContact CE2-CG2 3.44Å; Y446-V521 VanDerWaalsContact CE2-CG2 3.44Å; Y446-V521 PolarHBondContact OH-O 2.97Å
447	V	93.8	Very high	92.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.7	174.6	179.6	0	0	0	0	108.5	L286 L292 V294 P449 L466 I470	L286-V447 HydrophobicContact CD1-CG2 4.47Å; L292-V447 HydrophobicContact CB-CG1 4.26Å; L292-V447 HydrophobicContact CD1-CG1 4.26Å; V294-V447 HydrophobicContact CG2-CG2 4.41Å; V447-P449 VanDerWaalsContact O-CD 3.29Å; V447-P449 WeakPolarHBondContact O-CD 3.13Å; V447-P449 VanDerWaalsContact O-N 3.1Å; V447-L466 HydrophobicContact CB-CD1 3.65Å; V447-L466 HydrophobicContact CG1-CD1 3.72Å; V447-L466 HydrophobicContact CG2-CD1 3.79Å; V447-I470 HydrophobicContact CG2-CD1 4.34Å; V447-I470 HydrophobicContact CG2-CG1 4.12Å; V447-I470 PolarHBondContact N-O 3.33Å
448	C	93.2	Very high	92.5	Very high	27 Å²	27	15.1 Å²	15.1	18%	0.182	9%	0.086	C	C	.	.			trans	-59	116.6	177.9	-178	0	0	0	0	110.2	R293 T450 Q451	R293-C448 HydrophobicContact CB-CB 4.22Å; R293-C448 PolarHBondContact O-N 3.01Å; C448-T450 PolarHBondContact O-N 3.07Å; C448-T450 VanDerWaalsContact O-N 3.15Å; C448-T450 PolarHBondContact SG-OG1 2.84Å; C448-T450 VanDerWaalsContact SG-OG1 3.34Å; C448-Q451 WeakPolarHBondContact O-CB 3.28Å; C448-Q451 WeakPolarHBondContact O-CG 3.5Å; C448-Q451 PolarHBondContact O-N 2.68Å; C448-Q451 VanDerWaalsContact O-N 3.17Å; C448-Q451 PolarHBondContact O-NE2 2.86Å; C448-Q451 VanDerWaalsContact O-NE2 3.08Å
449	P	93.1	Very high	92.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-70.2	-14.1	-169.1	25.2	-33.3	0	0	0	113.8	V447 Q451 L452 N471 L516 V521	V447-P449 VanDerWaalsContact O-CD 3.29Å; V447-P449 WeakPolarHBondContact O-CD 3.13Å; V447-P449 VanDerWaalsContact O-N 3.1Å; P449-Q451 PolarHBondContact O-N 2.94Å; P449-L452 HydrophobicContact CB-CD1 4.37Å; P449-L452 VanDerWaalsContact O-CB 3.29Å; P449-L452 WeakPolarHBondContact O-CB 3.31Å; P449-L452 WeakPolarHBondContact O-CG 3.44Å; P449-L452 PolarHBondContact O-N 3.42Å; P449-N471 HydrophobicContact CB-CB 4.44Å; P449-N471 WeakPolarHBondContact CG-O 3.28Å; P449-L516 HydrophobicContact CB-CB 4.03Å; P449-L516 HydrophobicContact CG-CB 4.31Å; P449-L516 HydrophobicContact CG-CD2 4.28Å; P449-L516 WeakPolarHBondContact CG-O 3.49Å; P449-V521 HydrophobicContact CG-CG1 4.2Å; P449-V521 HydrophobicContact CG-CG2 3.94Å
450	T	90.8	Very high	92.1	Very high	20 Å²	20	19.7 Å²	19.7	12%	0.123	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-63.7	-12.4	172.9	71.5	0	0	0	0	113.8	R293 C448 L452 V517 G520 F692	R293-T450 PolarHBondContact NH2-OG1 3.23Å; C448-T450 PolarHBondContact O-N 3.07Å; C448-T450 VanDerWaalsContact O-N 3.15Å; C448-T450 PolarHBondContact SG-OG1 2.84Å; C448-T450 VanDerWaalsContact SG-OG1 3.34Å; T450-L452 VanDerWaalsContact C-N 3.27Å; T450-V517 WeakPolarHBondContact CA-O 3.25Å; T450-G520 VanDerWaalsContact CG2-CA 3.47Å; T450-F692 HydrophobicContact CG2-CE1 4.34Å
451	Q	91.8	Very high	92.2	Very high	19 Å²	19	18.6 Å²	18.6	9%	0.089	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-84	-2.8	173.8	-60.6	172.9	115.5	0	0	112.4	R293 C448 P449 K459	R293-Q451 PolarHBondContact O-NE2 2.97Å; R293-Q451 VanDerWaalsContact O-NE2 3.15Å; C448-Q451 WeakPolarHBondContact O-CB 3.28Å; C448-Q451 WeakPolarHBondContact O-CG 3.5Å; C448-Q451 PolarHBondContact O-N 2.68Å; C448-Q451 VanDerWaalsContact O-N 3.17Å; C448-Q451 PolarHBondContact O-NE2 2.86Å; C448-Q451 VanDerWaalsContact O-NE2 3.08Å; P449-Q451 PolarHBondContact O-N 2.94Å; Q451-K459 WeakPolarHBondContact O-CB 3.43Å; Q451-K459 WeakPolarHBondContact O-CG 3.36Å; Q451-K459 PolarHBondContact O-N 3.38Å
452	L	93.1	Very high	92.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-99.5	149.8	178.7	-53.5	178.4	0	0	0	111.1	P449 T450 L456 Q457 V458 K459 L466 N471 V517	P449-L452 HydrophobicContact CB-CD1 4.37Å; P449-L452 VanDerWaalsContact O-CB 3.29Å; P449-L452 WeakPolarHBondContact O-CB 3.31Å; P449-L452 WeakPolarHBondContact O-CG 3.44Å; P449-L452 PolarHBondContact O-N 3.42Å; T450-L452 VanDerWaalsContact C-N 3.27Å; L452-L456 HydrophobicContact CD1-CD2 4.25Å; L452-Q457 CarbonylContact C-O 3.48Å; L452-Q457 VanDerWaalsContact CA-O 3.3Å; L452-Q457 WeakPolarHBondContact CA-O 3.37Å; L452-V458 HydrophobicContact CD2-CB 4.34Å; L452-V458 HydrophobicContact CD2-CG2 3.69Å; L452-K459 WeakPolarHBondContact O-CE 3.37Å; L452-L466 HydrophobicContact CD1-CB 4.28Å; L452-L466 HydrophobicContact CD2-CB 4.23Å; L452-L466 HydrophobicContact CD2-CD1 3.97Å; L452-L466 HydrophobicContact CD2-CG 4.04Å; L452-N471 WeakPolarHBondContact CD1-OD1 3.18Å; L452-V517 HydrophobicContact CB-CG1 4.05Å
453	S	91.5	Very high	92.6	Very high	26 Å²	26	18.3 Å²	18.3	18%	0.182	10%	0.099	C	C	.	.			trans	-78.6	167	164.6	72.4	0	0	0	0	110.6	A455 L456 Q457	S453-A455 PolarHBondContact O-N 3.47Å; S453-A455 PolarHBondContact OG-N 3.17Å; S453-L456 WeakPolarHBondContact O-CA 3.42Å; S453-L456 PolarHBondContact O-N 3.13Å; S453-Q457 PolarHBondContact N-O 2.81Å; S453-Q457 PolarHBondContact OG-N 3.34Å; S453-Q457 PolarHBondContact OG-O 2.93Å
454	P	91.5	Very high	93	Very high	59 Å²	59	17.1 Å²	17.1	38%	0.383	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.9	171	-25.6	35.7	0	0	0	114.8	W485 V513	P454-W485 PolarHBondContact O-NE1 2.91Å; P454-V513 WeakPolarHBondContact O-CG1 3.4Å
455	A	93.4	Very high	93.4	Very high	9 Å²	9	17.1 Å²	17.1	7%	0.074	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3	171.1	0	0	0	0	0	113.1	S453 Q457 F465 N489 P499	S453-A455 PolarHBondContact O-N 3.47Å; S453-A455 PolarHBondContact OG-N 3.17Å; A455-Q457 PolarHBondContact O-N 2.75Å; A455-F465 WeakPolarHBondContact O-CD1 3.15Å; A455-N489 HydrophobicContact CB-CB 4.1Å; A455-P499 HydrophobicContact CB-CB 4.31Å
456	L	96.6	Very high	93.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.	S	Bend	trans	63.1	15.9	-172.9	-58.7	175.2	0	0	0	114.7	L452 S453 F465 L466 Q482 W485 A486 V513	L452-L456 HydrophobicContact CD1-CD2 4.25Å; S453-L456 WeakPolarHBondContact O-CA 3.42Å; S453-L456 PolarHBondContact O-N 3.13Å; L456-F465 WeakPolarHBondContact O-CA 3.31Å; L456-L466 PolarHBondContact O-N 3.47Å; L456-L466 VanDerWaalsContact O-N 3.13Å; L456-Q482 HydrophobicContact CD1-CB 3.87Å; L456-Q482 HydrophobicContact CD1-CG 4.16Å; L456-Q482 VanDerWaalsContact CD1-O 3.3Å; L456-Q482 WeakPolarHBondContact CD1-O 3.25Å; L456-W485 HydrophobicContact CD1-CB 4.32Å; L456-A486 HydrophobicContact CB-CB 4.15Å; L456-A486 HydrophobicContact CD1-CB 4.02Å; L456-V513 HydrophobicContact CD1-CG2 4.38Å; L456-V513 HydrophobicContact CD2-CG1 3.93Å; L456-V513 HydrophobicContact CD2-CG2 4.23Å; L456-V513 HydrophobicContact CG-CG1 4.41Å; L456-V513 HydrophobicContact CG-CG2 4.46Å
457	Q	95.6	Very high	94	Very high	32 Å²	32	15.8 Å²	15.8	15%	0.15	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-81.5	140	171.5	-164.8	-177.2	-32.1	0	0	110.2	L452 S453 A455 K459 L464 F465	L452-Q457 CarbonylContact C-O 3.48Å; L452-Q457 VanDerWaalsContact CA-O 3.3Å; L452-Q457 WeakPolarHBondContact CA-O 3.37Å; S453-Q457 PolarHBondContact N-O 2.81Å; S453-Q457 PolarHBondContact OG-N 3.34Å; S453-Q457 PolarHBondContact OG-O 2.93Å; A455-Q457 PolarHBondContact O-N 2.75Å; Q457-K459 PolarHBondContact O-N 2.85Å; Q457-L464 CarbonylContact C-O 3.2Å; Q457-L464 WeakPolarHBondContact CA-O 3.47Å; Q457-L464 WeakPolarHBondContact CG-O 3.32Å; Q457-F465 HydrophobicContact CB-CD1 3.83Å; Q457-F465 HydrophobicContact CB-CE1 3.55Å; Q457-F465 HydrophobicContact CB-CG 4.5Å; Q457-F465 HydrophobicContact CB-CZ 4Å; Q457-F465 HydrophobicContact CG-CD1 4.33Å; Q457-F465 HydrophobicContact CG-CE1 3.99Å; Q457-F465 HydrophobicContact CG-CE2 4.22Å; Q457-F465 HydrophobicContact CG-CZ 3.92Å
458	V	95.1	Very high	94.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-64.3	121.3	172	179.3	0	0	0	0	109.6	L292 L452 N460 T461 L464 L466	L292-V458 HydrophobicContact CD1-CG1 4.39Å; L292-V458 HydrophobicContact CD2-CG1 3.67Å; L452-V458 HydrophobicContact CD2-CB 4.34Å; L452-V458 HydrophobicContact CD2-CG2 3.69Å; V458-N460 PolarHBondContact O-N 3.3Å; V458-T461 CarbonylContact O-C 3.59Å; V458-T461 PolarHBondContact O-N 2.74Å; V458-T461 VanDerWaalsContact O-N 3.1Å; V458-L464 HydrophobicContact CB-CB 4.43Å; V458-L464 HydrophobicContact CG2-CB 4.23Å; V458-L464 HydrophobicContact CG2-CD2 3.87Å; V458-L464 HydrophobicContact CG2-CG 3.84Å; V458-L464 PolarHBondContact N-O 3.46Å; V458-L466 HydrophobicContact CG2-CD1 4.04Å; V458-L466 HydrophobicContact CG2-CD2 4.38Å; V458-L466 HydrophobicContact CG2-CG 3.86Å
459	K	90.6	Very high	94.1	Very high	85 Å²	85	16.3 Å²	16.3	37%	0.37	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.5	-176.3	-68.8	179.4	-177.9	178.9	0	112.5	Q451 L452 Q457 F692	Q451-K459 WeakPolarHBondContact O-CB 3.43Å; Q451-K459 WeakPolarHBondContact O-CG 3.36Å; Q451-K459 PolarHBondContact O-N 3.38Å; L452-K459 WeakPolarHBondContact O-CE 3.37Å; Q457-K459 PolarHBondContact O-N 2.85Å; K459-F692 PolarHBondContact NZ-O 3.17Å
460	N	89.7	Confident	94.2	Very high	46 Å²	46	16.2 Å²	16.2	25%	0.246	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-11	-178.3	-165.5	36.2	0	0	0	113.9	R229 H230 V458	R229-N460 WeakPolarHBondContact CB-OD1 3.11Å; R229-N460 VanDerWaalsContact CD-OD1 3.23Å; R229-N460 WeakPolarHBondContact CD-OD1 3.3Å; R229-N460 WeakPolarHBondContact CG-OD1 3.41Å; R229-N460 PolarHBondContact N-O 3.24Å; R229-N460 PolarHBondContact N-OD1 2.91Å; H230-N460 PolarHBondContact N-O 2.79Å; V458-N460 PolarHBondContact O-N 3.3Å
461	T	93.8	Very high	94.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111	-168.5	-50.5	0	0	0	0	111	H230 V232 L290 V458 L464	H230-T461 HydrophobicContact CB-CG2 4.08Å; H230-T461 CarbonylContact O-C 3.52Å; H230-T461 WeakPolarHBondContact O-CA 3.37Å; V232-T461 HydrophobicContact CG2-CG2 3.65Å; L290-T461 HydrophobicContact CD1-CG2 4.21Å; L290-T461 HydrophobicContact CD2-CG2 3.87Å; V458-T461 CarbonylContact O-C 3.59Å; V458-T461 PolarHBondContact O-N 2.74Å; V458-T461 VanDerWaalsContact O-N 3.1Å; T461-L464 HydrophobicContact CG2-CB 3.79Å; T461-L464 HydrophobicContact CG2-CD2 4.06Å
462	Q	94.1	Very high	94.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.3	177.7	-68.3	173.2	6	0	0	110.8	N223 E226 P227 H230 R231 V232 L464	N223-Q462 PolarHBondContact O-NE2 3.29Å; E226-Q462 VanDerWaalsContact CB-NE2 3.32Å; E226-Q462 PolarHBondContact O-NE2 3.01Å; P227-Q462 WeakPolarHBondContact O-CG 3.38Å; P227-Q462 PolarHBondContact O-NE2 3.32Å; H230-Q462 PolarHBondContact O-N 2.97Å; R231-Q462 HydrophobicContact CB-CB 4.09Å; R231-Q462 HydrophobicContact CG-CB 4.13Å; V232-Q462 PolarHBondContact N-O 3.45Å; Q462-L464 VanDerWaalsContact C-N 3.29Å; Q462-L464 PolarHBondContact O-N 3.16Å
463	G	94.4	Very high	94.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	1.5	175.5	0	0	0	0	0	115.5	S248 V249	S248-G463 CarbonylContact C-O 3.58Å; S248-G463 VanDerWaalsContact CA-O 3.32Å; S248-G463 WeakPolarHBondContact CA-O 3.31Å; V249-G463 PolarHBondContact N-O 2.85Å
464	L	97.4	Very high	94.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	177	-177.8	60.8	0	0	0	111.4	L217 V232 L251 L286 L290 Q457 V458 T461 Q462 L466	L217-L464 HydrophobicContact CD1-CD1 3.96Å; L217-L464 HydrophobicContact CD1-CD2 4.13Å; V232-L464 HydrophobicContact CB-CB 4.42Å; V232-L464 HydrophobicContact CG2-CB 4.04Å; V232-L464 HydrophobicContact CG2-CD2 4.35Å; L251-L464 HydrophobicContact CD1-CD1 4.08Å; L251-L464 HydrophobicContact CG-CD1 3.99Å; L286-L464 HydrophobicContact CD2-CD2 4.3Å; L290-L464 HydrophobicContact CD1-CD2 3.62Å; Q457-L464 CarbonylContact C-O 3.2Å; Q457-L464 WeakPolarHBondContact CA-O 3.47Å; Q457-L464 WeakPolarHBondContact CG-O 3.32Å; V458-L464 HydrophobicContact CB-CB 4.43Å; V458-L464 HydrophobicContact CG2-CB 4.23Å; V458-L464 HydrophobicContact CG2-CD2 3.87Å; V458-L464 HydrophobicContact CG2-CG 3.84Å; V458-L464 PolarHBondContact N-O 3.46Å; T461-L464 HydrophobicContact CG2-CB 3.79Å; T461-L464 HydrophobicContact CG2-CD2 4.06Å; Q462-L464 VanDerWaalsContact C-N 3.29Å; Q462-L464 PolarHBondContact O-N 3.16Å; L464-L466 HydrophobicContact CD1-CD2 4.25Å; L464-L466 HydrophobicContact CG-CD2 4.21Å
465	F	98.3	Very high	94.3	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143	177.2	-62.5	-100.7	0	0	0	110.2	V249 V250 L251 A455 L456 Q457 A486 N489 A490 R493	V249-F465 PolarHBondContact O-N 3.04Å; V250-F465 CarbonylContact C-O 3.46Å; V250-F465 WeakPolarHBondContact CA-O 3.37Å; V250-F465 HydrophobicContact CB-CB 4.41Å; V250-F465 HydrophobicContact CG1-CB 4.22Å; V250-F465 HydrophobicContact CG2-CB 4.13Å; L251-F465 PolarHBondContact N-O 2.68Å; A455-F465 WeakPolarHBondContact O-CD1 3.15Å; L456-F465 WeakPolarHBondContact O-CA 3.31Å; Q457-F465 HydrophobicContact CB-CD1 3.83Å; Q457-F465 HydrophobicContact CB-CE1 3.55Å; Q457-F465 HydrophobicContact CB-CG 4.5Å; Q457-F465 HydrophobicContact CB-CZ 4Å; Q457-F465 HydrophobicContact CG-CD1 4.33Å; Q457-F465 HydrophobicContact CG-CE1 3.99Å; Q457-F465 HydrophobicContact CG-CE2 4.22Å; Q457-F465 HydrophobicContact CG-CZ 3.92Å; F465-A486 HydrophobicContact CB-CB 4.36Å; F465-N489 HydrophobicContact CD1-CB 4.45Å; F465-N489 HydrophobicContact CE1-CB 3.78Å; F465-A490 HydrophobicContact CD2-CB 3.75Å; F465-A490 HydrophobicContact CE2-CB 3.83Å; F465-A490 HydrophobicContact CG-CB 4.15Å; F465-A490 HydrophobicContact CZ-CB 4.27Å; F465-R493 HydrophobicContact CZ-CB 4.17Å
466	L	97.9	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.1	178.5	-51.5	-174.1	0	0	0	109.6	L251 V447 L452 L456 V458 L464 I470 N471	L251-L466 HydrophobicContact CB-CD2 3.73Å; L251-L466 HydrophobicContact CD1-CD2 3.84Å; L251-L466 HydrophobicContact CG-CD2 4.12Å; V447-L466 HydrophobicContact CB-CD1 3.65Å; V447-L466 HydrophobicContact CG1-CD1 3.72Å; V447-L466 HydrophobicContact CG2-CD1 3.79Å; L452-L466 HydrophobicContact CD1-CB 4.28Å; L452-L466 HydrophobicContact CD2-CB 4.23Å; L452-L466 HydrophobicContact CD2-CD1 3.97Å; L452-L466 HydrophobicContact CD2-CG 4.04Å; L456-L466 PolarHBondContact O-N 3.47Å; L456-L466 VanDerWaalsContact O-N 3.13Å; V458-L466 HydrophobicContact CG2-CD1 4.04Å; V458-L466 HydrophobicContact CG2-CD2 4.38Å; V458-L466 HydrophobicContact CG2-CG 3.86Å; L464-L466 HydrophobicContact CD1-CD2 4.25Å; L464-L466 HydrophobicContact CG-CD2 4.21Å; L466-I470 HydrophobicContact CB-CG2 4.09Å; L466-I470 HydrophobicContact CD2-CD1 4.19Å; L466-N471 WeakPolarHBondContact CB-OD1 3.36Å; L466-N471 PolarHBondContact O-ND2 2.91Å
467	A	97.8	Very high	94.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.			trans	-146	144	179	0	0	0	0	0	113.8	A106 V250 L251 T252 I470 Q482 A486	A106-A467 HydrophobicContact CB-CB 4.17Å; V250-A467 HydrophobicContact CG1-CB 4.47Å; L251-A467 PolarHBondContact O-N 2.86Å; T252-A467 HydrophobicContact CG2-CB 4.03Å; A467-I470 WeakPolarHBondContact O-CG2 3.39Å; A467-Q482 HydrophobicContact CB-CB 3.94Å; A467-A486 HydrophobicContact CB-CB 3.82Å
468	G	95.5	Very high	94.4	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	6%	0.059	C	C	.	.	S	Bend	trans	89.2	-143.7	177.2	0	0	0	0	0	113.1	I470 N471 T473	G468-I470 PolarHBondContact O-N 2.89Å; G468-I470 VanDerWaalsContact O-N 3.15Å; G468-N471 WeakPolarHBondContact O-CB 3.43Å; G468-N471 PolarHBondContact O-N 3.12Å; G468-T473 PolarHBondContact O-OG1 3.18Å
469	Q	93.8	Very high	94.5	Very high	38 Å²	38	12 Å²	12	18%	0.178	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-63.4	-23.5	-171.8	-68	177.2	-64.5	0	0	113.9	Y444 N471 G472 T473	Y444-Q469 HydrophobicContact CE2-CB 4.17Å; Q469-N471 PolarHBondContact O-N 3.31Å; Q469-G472 WeakPolarHBondContact O-CA 3.25Å; Q469-G472 PolarHBondContact O-N 3.36Å; Q469-T473 WeakPolarHBondContact CA-O 3.3Å; Q469-T473 WeakPolarHBondContact CG-O 3.37Å
470	I	94.8	Very high	94.9	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.3	173.1	-170.4	168.3	0	0	0	112.4	L251 L257 L286 Y446 V447 L466 A467 G468 G472	L251-I470 HydrophobicContact CB-CD1 4.23Å; L251-I470 HydrophobicContact CD1-CD1 4.45Å; L257-I470 HydrophobicContact CD2-CD1 4.17Å; L286-I470 HydrophobicContact CD1-CD1 4.46Å; Y446-I470 CarbonylContact C-O 3.59Å; Y446-I470 WeakPolarHBondContact CA-O 3.36Å; Y446-I470 WeakPolarHBondContact CB-O 3.35Å; V447-I470 HydrophobicContact CG2-CD1 4.34Å; V447-I470 HydrophobicContact CG2-CG1 4.12Å; V447-I470 PolarHBondContact N-O 3.33Å; L466-I470 HydrophobicContact CB-CG2 4.09Å; L466-I470 HydrophobicContact CD2-CD1 4.19Å; A467-I470 WeakPolarHBondContact O-CG2 3.39Å; G468-I470 PolarHBondContact O-N 2.89Å; G468-I470 VanDerWaalsContact O-N 3.15Å; I470-G472 VanDerWaalsContact C-N 3.25Å; I470-G472 PolarHBondContact O-N 2.84Å
471	N	95.8	Very high	95.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-87.6	6	174.6	-65.2	-11.6	0	0	0	112.7	P449 L452 L466 G468 Q469 Q482	P449-N471 HydrophobicContact CB-CB 4.44Å; P449-N471 WeakPolarHBondContact CG-O 3.28Å; L452-N471 WeakPolarHBondContact CD1-OD1 3.18Å; L466-N471 WeakPolarHBondContact CB-OD1 3.36Å; L466-N471 PolarHBondContact O-ND2 2.91Å; G468-N471 WeakPolarHBondContact O-CB 3.43Å; G468-N471 PolarHBondContact O-N 3.12Å; Q469-N471 PolarHBondContact O-N 3.31Å; N471-Q482 PolarHBondContact ND2-OE1 2.7Å
472	G	91.9	Very high	95.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	23.4	-180	0	0	0	0	0	115.1	L297 Q469 I470 P524 Y525	L297-G472 VanDerWaalsContact CD1-CA 3.45Å; Q469-G472 WeakPolarHBondContact O-CA 3.25Å; Q469-G472 PolarHBondContact O-N 3.36Å; I470-G472 VanDerWaalsContact C-N 3.25Å; I470-G472 PolarHBondContact O-N 2.84Å; G472-P524 CarbonylContact O-C 3.49Å; G472-P524 VanDerWaalsContact O-CA 3.3Å; G472-P524 WeakPolarHBondContact O-CA 3.41Å; G472-Y525 PolarHBondContact O-N 3.43Å
473	T	93	Very high	95.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-88	162	165	63.4	0	0	0	0	111.8	G468 Q469 Q482 L512 L516 Y525	G468-T473 PolarHBondContact O-OG1 3.18Å; Q469-T473 WeakPolarHBondContact CA-O 3.3Å; Q469-T473 WeakPolarHBondContact CG-O 3.37Å; T473-Q482 VanDerWaalsContact CG2-NE2 3.25Å; T473-Q482 PolarHBondContact OG1-NE2 3.41Å; T473-L512 HydrophobicContact CG2-CD1 4.05Å; T473-L516 HydrophobicContact CG2-CD1 3.59Å; T473-L516 HydrophobicContact CG2-CD2 3.72Å; T473-L516 HydrophobicContact CG2-CG 4.2Å; T473-Y525 HydrophobicContact CG2-CD1 4.31Å
474	T	88.5	Confident	95.9	Very high	18 Å²	18	5.7 Å²	5.7	11%	0.11	3%	0.033	C	C	.	.			trans	-134.9	123.4	169.2	179.3	0	0	0	0	111.6	P524 Y525 R526	T474-P524 HydrophobicContact CG2-CB 3.47Å; T474-P524 VanDerWaalsContact CG2-CB 3.47Å; T474-Y525 PolarHBondContact N-O 3.49Å; T474-R526 HydrophobicContact CG2-CG 3.49Å; T474-R526 VanDerWaalsContact CG2-CG 3.49Å; T474-R526 VanDerWaalsContact CG2-CZ 3.44Å
475	G	91.4	Very high	95.9	Very high	16 Å²	16	6 Å²	6	17%	0.165	3%	0.034	C	C	.	.	S	Bend	trans	138.9	150.7	-178.8	0	0	0	0	0	111.5	E478 A479	G475-E478 WeakPolarHBondContact CA-OE2 3.26Å; G475-A479 VanDerWaalsContact O-CB 3.31Å; G475-A479 WeakPolarHBondContact O-CB 3.28Å; G475-A479 PolarHBondContact O-N 3.18Å
476	Y	95.6	Very high	95.9	Very high	32 Å²	32	5.9 Å²	5.9	13%	0.125	3%	0.034	C	C	.	.	H	α-helix	trans	-71	-41.4	-177.2	-53	-39.5	0	0	0	110.9	H105 L134 S135 C136 N137 A479 A480	H105-Y476 AromaticContact CE1-CD1 3.18Å; H105-Y476 WeakPolarHBondContact CE1-CD1 3.21Å; H105-Y476 AromaticContact CE1-CE1 3.63Å; H105-Y476 AromaticContact CE1-CG 3.71Å; H105-Y476 AromaticContact ND1-CD1 3.41Å; H105-Y476 WeakPolarHBondContact ND1-CD1 3.43Å; H105-Y476 AromaticContact NE2-CD1 3.66Å; H105-Y476 AromaticContact NE2-CG 3.67Å; L134-Y476 HydrophobicContact CD2-CD2 3.74Å; L134-Y476 HydrophobicContact CD2-CE2 3.65Å; L134-Y476 HydrophobicContact CD2-CG 4.29Å; S135-Y476 PolarHBondContact N-OH 3.49Å; C136-Y476 VanDerWaalsContact C-OH 3.27Å; C136-Y476 WeakPolarHBondContact CA-OH 3.38Å; C136-Y476 WeakPolarHBondContact CB-OH 3.39Å; C136-Y476 PolarHBondContact N-OH 2.68Å; N137-Y476 PolarHBondContact N-OH 3.22Å; N137-Y476 VanDerWaalsContact O-CE2 3.28Å; N137-Y476 WeakPolarHBondContact O-CE2 3.28Å; N137-Y476 PolarHBondContact O-OH 2.97Å; Y476-A479 PolarHBondContact O-N 2.86Å; Y476-A480 VanDerWaalsContact O-CB 3.29Å; Y476-A480 WeakPolarHBondContact O-CB 3.38Å; Y476-A480 PolarHBondContact O-N 2.79Å
477	E	97.2	Very high	95.9	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.019	3%	0.034	C	C	.	.	H	α-helix	trans	-81.3	-31.7	-173.9	45.4	-67.4	-93.9	0	0	112.3	L140 G141 K145 L148 V149 A479 A481	L140-E477 HydrophobicContact CD1-CB 4.39Å; G141-E477 PolarHBondContact N-OE1 2.75Å; K145-E477 HydrophobicContact CB-CG 3.47Å; K145-E477 VanDerWaalsContact CB-CG 3.47Å; K145-E477 HydrophobicContact CD-CG 4.25Å; K145-E477 HydrophobicContact CG-CG 3.69Å; K145-E477 IonicContact NZ-OE2 2.79Å; K145-E477 PolarHBondContact NZ-OE2 2.77Å; L148-E477 HydrophobicContact CB-CB 4.34Å; V149-E477 HydrophobicContact CG2-CB 3.58Å; V149-E477 HydrophobicContact CG2-CG 3.96Å; E477-A479 VanDerWaalsContact C-N 3.29Å; E477-A479 PolarHBondContact O-N 3.02Å; E477-A481 VanDerWaalsContact O-CB 3.25Å; E477-A481 WeakPolarHBondContact O-CB 3.44Å; E477-A481 PolarHBondContact O-N 3.22Å
478	E	96.7	Very high	95.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.6	-39.4	163.2	-70.6	89.7	160.2	0	0	112.3	K145 L148 G475 Q482 L512 M527	K145-E478 IonicContact NZ-OE1 2.98Å; K145-E478 PolarHBondContact NZ-OE1 2.92Å; K145-E478 IonicContact NZ-OE2 3.89Å; K145-E478 PolarHBondContact NZ-OE2 3.03Å; L148-E478 HydrophobicContact CD1-CB 4.41Å; L148-E478 HydrophobicContact CD1-CG 3.93Å; G475-E478 WeakPolarHBondContact CA-OE2 3.26Å; E478-Q482 WeakPolarHBondContact O-CG 3.41Å; E478-Q482 PolarHBondContact O-N 2.78Å; E478-Q482 PolarHBondContact O-NE2 2.97Å; E478-L512 HydrophobicContact CB-CD2 4.28Å; E478-L512 HydrophobicContact CG-CD1 4.4Å; E478-L512 HydrophobicContact CG-CD2 4.49Å; E478-M527 HydrophobicContact CG-CG 3.69Å; E478-M527 HydrophobicContact CG-SD 4.38Å; E478-M527 PolarHBondContact OE1-N 3.25Å
479	A	97.1	Very high	96.1	Very high	8 Å²	8	6 Å²	6	7%	0.066	3%	0.034	C	C	.	.	H	α-helix	trans	-73	-44.6	178.9	0	0	0	0	0	111.9	H105 A106 G475 Y476 E477 A481 Q482 G483	H105-A479 HydrophobicContact CB-CB 4.24Å; A106-A479 VanDerWaalsContact CA-O 3.29Å; A106-A479 WeakPolarHBondContact CA-O 3.41Å; A106-A479 HydrophobicContact CB-CB 4.11Å; A106-A479 VanDerWaalsContact CB-O 3.23Å; A106-A479 WeakPolarHBondContact CB-O 3.24Å; G475-A479 VanDerWaalsContact O-CB 3.31Å; G475-A479 WeakPolarHBondContact O-CB 3.28Å; G475-A479 PolarHBondContact O-N 3.18Å; Y476-A479 PolarHBondContact O-N 2.86Å; E477-A479 VanDerWaalsContact C-N 3.29Å; E477-A479 PolarHBondContact O-N 3.02Å; A479-A481 PolarHBondContact O-N 3.34Å; A479-Q482 PolarHBondContact O-N 2.99Å; A479-G483 PolarHBondContact O-N 3.15Å
480	A	98.1	Very high	96.3	Very high	2 Å²	2	4.2 Å²	4.2	2%	0.017	3%	0.026	C	C	.	.	H	α-helix	trans	-58	-46.1	176	0	0	0	0	0	111.7	E109 C159 Y476 Q482 G483 L484	E109-A480 HydrophobicContact CG-CB 3.78Å; C159-A480 HydrophobicContact CB-CB 4.35Å; Y476-A480 VanDerWaalsContact O-CB 3.29Å; Y476-A480 WeakPolarHBondContact O-CB 3.38Å; Y476-A480 PolarHBondContact O-N 2.79Å; A480-Q482 PolarHBondContact O-N 2.81Å; A480-G483 PolarHBondContact O-N 3.46Å; A480-L484 PolarHBondContact O-N 3.08Å
481	A	98.1	Very high	96.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-57.8	-49	176.4	0	0	0	0	0	113	L148 V152 E477 A479 G483 W485 I509 L512	L148-A481 HydrophobicContact CD1-CB 4.33Å; L148-A481 HydrophobicContact CD2-CB 4.06Å; V152-A481 HydrophobicContact CG2-CB 3.97Å; E477-A481 VanDerWaalsContact O-CB 3.25Å; E477-A481 WeakPolarHBondContact O-CB 3.44Å; E477-A481 PolarHBondContact O-N 3.22Å; A479-A481 PolarHBondContact O-N 3.34Å; A481-G483 VanDerWaalsContact C-N 3.35Å; A481-W485 WeakPolarHBondContact O-CB 3.37Å; A481-W485 PolarHBondContact O-N 3.16Å; A481-I509 HydrophobicContact CB-CD1 4.33Å; A481-I509 HydrophobicContact CB-CG1 3.9Å; A481-I509 HydrophobicContact CB-CG2 4.41Å; A481-L512 HydrophobicContact CB-CD2 4.06Å
482	Q	98.4	Very high	96.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.4	-40.2	176.1	-72.7	170.9	78.1	0	0	111.9	L456 A467 N471 T473 E478 A479 A480 W485 A486 L512	L456-Q482 HydrophobicContact CD1-CB 3.87Å; L456-Q482 HydrophobicContact CD1-CG 4.16Å; L456-Q482 VanDerWaalsContact CD1-O 3.3Å; L456-Q482 WeakPolarHBondContact CD1-O 3.25Å; A467-Q482 HydrophobicContact CB-CB 3.94Å; N471-Q482 PolarHBondContact ND2-OE1 2.7Å; T473-Q482 VanDerWaalsContact CG2-NE2 3.25Å; T473-Q482 PolarHBondContact OG1-NE2 3.41Å; E478-Q482 WeakPolarHBondContact O-CG 3.41Å; E478-Q482 PolarHBondContact O-N 2.78Å; E478-Q482 PolarHBondContact O-NE2 2.97Å; A479-Q482 PolarHBondContact O-N 2.99Å; A480-Q482 PolarHBondContact O-N 2.81Å; Q482-W485 PolarHBondContact O-N 3Å; Q482-A486 VanDerWaalsContact O-CB 3.23Å; Q482-A486 WeakPolarHBondContact O-CB 3.45Å; Q482-A486 PolarHBondContact O-N 2.95Å; Q482-L512 HydrophobicContact CG-CD2 4.04Å
483	G	98.2	Very high	96.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.5	-54.3	178.3	0	0	0	0	0	111.9	A106 A110 A479 A480 A481 W485 A486 G487	A106-G483 WeakPolarHBondContact O-CA 3.45Å; A110-G483 WeakPolarHBondContact CA-O 3.5Å; A110-G483 WeakPolarHBondContact CB-O 3.4Å; A479-G483 PolarHBondContact O-N 3.15Å; A480-G483 PolarHBondContact O-N 3.46Å; A481-G483 VanDerWaalsContact C-N 3.35Å; G483-W485 VanDerWaalsContact C-N 3.31Å; G483-W485 PolarHBondContact O-N 3.32Å; G483-A486 PolarHBondContact O-N 3.02Å; G483-G487 PolarHBondContact O-N 2.95Å
484	L	98.4	Very high	96.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-53.4	-51.2	176	-174.6	150	0	0	0	110.5	E109 A113 V152 L155 A480 G487 V488	E109-L484 HydrophobicContact CB-CB 4.06Å; A113-L484 HydrophobicContact CB-CG 4.27Å; V152-L484 HydrophobicContact CG1-CD1 3.87Å; L155-L484 HydrophobicContact CB-CD1 3.79Å; L155-L484 HydrophobicContact CB-CD2 3.8Å; L155-L484 HydrophobicContact CB-CG 4.46Å; L155-L484 HydrophobicContact CD1-CD2 3.66Å; L155-L484 HydrophobicContact CG-CD2 4.36Å; A480-L484 PolarHBondContact O-N 3.08Å; L484-G487 PolarHBondContact O-N 3.48Å; L484-V488 HydrophobicContact CD2-CG2 4.24Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.04Å
485	W	98.1	Very high	97.1	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-66.8	-40	-175.8	-165.9	-117.4	0	0	0	113.5	P454 L456 A481 Q482 G483 N489 A500 L502 I509 L554	P454-W485 PolarHBondContact O-NE1 2.91Å; L456-W485 HydrophobicContact CD1-CB 4.32Å; A481-W485 WeakPolarHBondContact O-CB 3.37Å; A481-W485 PolarHBondContact O-N 3.16Å; Q482-W485 PolarHBondContact O-N 3Å; G483-W485 VanDerWaalsContact C-N 3.31Å; G483-W485 PolarHBondContact O-N 3.32Å; W485-N489 PolarHBondContact NE1-ND2 2.77Å; W485-N489 PolarHBondContact O-N 3.34Å; W485-N489 VanDerWaalsContact O-N 3.15Å; W485-N489 PolarHBondContact O-ND2 2.66Å; W485-A500 HydrophobicContact CH2-CB 3.4Å; W485-A500 VanDerWaalsContact CZ2-C 3.47Å; W485-A500 HydrophobicContact CZ2-CB 3.81Å; W485-A500 VanDerWaalsContact CZ2-O 3.22Å; W485-A500 WeakPolarHBondContact CZ2-O 3.38Å; W485-A500 HydrophobicContact CZ3-CB 4.1Å; W485-L502 HydrophobicContact CE3-CD2 4.4Å; W485-L502 HydrophobicContact CH2-CB 3.62Å; W485-L502 HydrophobicContact CZ2-CB 3.52Å; W485-L502 HydrophobicContact CZ3-CB 4.18Å; W485-L502 HydrophobicContact CZ3-CD2 4.41Å; W485-I509 HydrophobicContact CB-CG2 4.5Å; W485-L554 HydrophobicContact CH2-CD1 4.22Å; W485-L554 HydrophobicContact CZ3-CD1 4.09Å
486	A	98.3	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-40.2	174.5	0	0	0	0	0	111.5	V250 L456 F465 A467 Q482 G483 N489 A490	V250-A486 HydrophobicContact CG1-CB 3.97Å; L456-A486 HydrophobicContact CB-CB 4.15Å; L456-A486 HydrophobicContact CD1-CB 4.02Å; F465-A486 HydrophobicContact CB-CB 4.36Å; A467-A486 HydrophobicContact CB-CB 3.82Å; Q482-A486 VanDerWaalsContact O-CB 3.23Å; Q482-A486 WeakPolarHBondContact O-CB 3.45Å; Q482-A486 PolarHBondContact O-N 2.95Å; G483-A486 PolarHBondContact O-N 3.02Å; A486-N489 PolarHBondContact O-N 2.73Å; A486-A490 WeakPolarHBondContact O-CB 3.18Å; A486-A490 PolarHBondContact O-N 2.98Å
487	G	98.1	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-46	176.5	0	0	0	0	0	112.7	A110 G483 L484 N489 A490 A491	A110-G487 WeakPolarHBondContact O-CA 3.22Å; G483-G487 PolarHBondContact O-N 2.95Å; L484-G487 PolarHBondContact O-N 3.48Å; G487-N489 PolarHBondContact O-N 2.91Å; G487-A490 PolarHBondContact O-N 3.36Å; G487-A491 WeakPolarHBondContact O-CB 3.37Å; G487-A491 PolarHBondContact O-N 2.85Å
488	V	98.2	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.8	-51	174.4	172	0	0	0	0	110.4	A113 V117 L484 A491 R492 A500 C556	A113-V488 HydrophobicContact CB-CG2 3.97Å; V117-V488 HydrophobicContact CG2-CG1 4.37Å; V117-V488 HydrophobicContact CG2-CG2 4.34Å; L484-V488 HydrophobicContact CD2-CG2 4.24Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.04Å; V488-A491 PolarHBondContact O-N 2.96Å; V488-R492 HydrophobicContact CG1-CG 4.36Å; V488-R492 WeakPolarHBondContact O-CB 3.05Å; V488-R492 WeakPolarHBondContact O-CG 3.19Å; V488-R492 PolarHBondContact O-N 3.5Å; V488-A500 HydrophobicContact CG1-CB 4.41Å; V488-C556 HydrophobicContact CG2-CB 3.58Å
489	N	98.1	Very high	96.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-33.9	-177.4	-75	-53.1	0	0	0	113.6	A455 F465 W485 A486 G487 R492 R493 A500	A455-N489 HydrophobicContact CB-CB 4.1Å; F465-N489 HydrophobicContact CD1-CB 4.45Å; F465-N489 HydrophobicContact CE1-CB 3.78Å; W485-N489 PolarHBondContact NE1-ND2 2.77Å; W485-N489 PolarHBondContact O-N 3.34Å; W485-N489 VanDerWaalsContact O-N 3.15Å; W485-N489 PolarHBondContact O-ND2 2.66Å; A486-N489 PolarHBondContact O-N 2.73Å; G487-N489 PolarHBondContact O-N 2.91Å; N489-R492 PolarHBondContact O-N 3.38Å; N489-R493 VanDerWaalsContact O-CB 3.31Å; N489-R493 WeakPolarHBondContact O-CB 3.34Å; N489-R493 PolarHBondContact O-N 2.84Å; N489-A500 WeakPolarHBondContact OD1-CB 3.5Å; N489-A500 PolarHBondContact OD1-N 3.17Å; N489-A500 PolarHBondContact OD1-O 2.91Å
490	A	98	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-43.1	175.2	0	0	0	0	0	112	V98 S248 V250 F465 A486 G487 A494	V98-A490 HydrophobicContact CG1-CB 4.03Å; V98-A490 HydrophobicContact CG2-CB 4.26Å; S248-A490 PolarHBondContact OG-O 3.03Å; V250-A490 HydrophobicContact CG2-CB 3.54Å; F465-A490 HydrophobicContact CD2-CB 3.75Å; F465-A490 HydrophobicContact CE2-CB 3.83Å; F465-A490 HydrophobicContact CG-CB 4.15Å; F465-A490 HydrophobicContact CZ-CB 4.27Å; A486-A490 WeakPolarHBondContact O-CB 3.18Å; A486-A490 PolarHBondContact O-N 2.98Å; G487-A490 PolarHBondContact O-N 3.36Å; A490-A494 WeakPolarHBondContact O-CB 3.37Å; A490-A494 PolarHBondContact O-N 3.13Å
491	A	97.9	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-46.8	175.2	0	0	0	0	0	111.8	V98 A114 V117 A119 G487 V488 R493 A494 L495	V98-A491 HydrophobicContact CG2-CB 4.22Å; A114-A491 HydrophobicContact CB-CB 3.97Å; V117-A491 HydrophobicContact CB-CB 3.86Å; V117-A491 HydrophobicContact CG1-CB 3.78Å; A119-A491 HydrophobicContact CB-CB 3.69Å; G487-A491 WeakPolarHBondContact O-CB 3.37Å; G487-A491 PolarHBondContact O-N 2.85Å; V488-A491 PolarHBondContact O-N 2.96Å; A491-R493 VanDerWaalsContact C-N 3.3Å; A491-R493 PolarHBondContact O-N 3.31Å; A491-A494 PolarHBondContact O-N 3.34Å; A491-A494 VanDerWaalsContact O-N 3.12Å; A491-L495 WeakPolarHBondContact O-CB 3.44Å; A491-L495 VanDerWaalsContact O-CG 3.29Å; A491-L495 WeakPolarHBondContact O-CG 3.35Å; A491-L495 PolarHBondContact O-N 3.45Å
492	R	97.1	Very high	95.3	Very high	25 Å²	25	31.3 Å²	31.3	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-43.9	177	-71	-179.2	71.6	79.3	5.5	111.6	V117 V488 N489 L495 S496 Q497 P498 L554	V117-R492 HydrophobicContact CG1-CG 4.11Å; V488-R492 HydrophobicContact CG1-CG 4.36Å; V488-R492 WeakPolarHBondContact O-CB 3.05Å; V488-R492 WeakPolarHBondContact O-CG 3.19Å; V488-R492 PolarHBondContact O-N 3.5Å; N489-R492 PolarHBondContact O-N 3.38Å; R492-L495 CarbonylContact O-C 3.52Å; R492-L495 PolarHBondContact O-N 3.26Å; R492-S496 PolarHBondContact O-N 3.08Å; R492-S496 VanDerWaalsContact O-N 3.16Å; R492-Q497 HydrophobicContact CB-CB 3.99Å; R492-Q497 HydrophobicContact CG-CB 4.37Å; R492-Q497 WeakPolarHBondContact O-CA 3.09Å; R492-Q497 WeakPolarHBondContact O-CB 3.39Å; R492-Q497 PolarHBondContact O-N 3.03Å; R492-P498 PolarHBondContact NE-O 3.14Å; R492-P498 PolarHBondContact NH2-O 3.36Å; R492-L554 PolarHBondContact NH1-O 3.4Å; R492-L554 VanDerWaalsContact NH1-O 3.09Å
493	R	95.3	Very high	94.9	Very high	62 Å²	62	31.9 Å²	31.9	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-46.4	174	-178.6	176.4	177.4	81.7	11.2	112.1	E226 F465 N489 A491 L495 S496	E226-R493 IonicContact OE2-CZ 2.63Å; E226-R493 VanDerWaalsContact OE2-CZ 3.24Å; E226-R493 IonicContact OE2-NH1 3.98Å; E226-R493 PolarHBondContact OE2-NH1 3.05Å; E226-R493 IonicContact OE2-NH2 3.86Å; E226-R493 PolarHBondContact OE2-NH2 3.24Å; F465-R493 HydrophobicContact CZ-CB 4.17Å; N489-R493 VanDerWaalsContact O-CB 3.31Å; N489-R493 WeakPolarHBondContact O-CB 3.34Å; N489-R493 PolarHBondContact O-N 2.84Å; A491-R493 VanDerWaalsContact C-N 3.3Å; A491-R493 PolarHBondContact O-N 3.31Å; R493-L495 PolarHBondContact O-N 3.14Å; R493-S496 PolarHBondContact O-N 2.91Å; R493-S496 VanDerWaalsContact O-N 3.12Å
494	A	95.7	Very high	94.5	Very high	17 Å²	17	32.2 Å²	32.2	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-31.2	179.2	0	0	0	0	0	112.6	D97 V98 A490 A491	D97-A494 HydrophobicContact CB-CB 3.95Å; V98-A494 HydrophobicContact CG2-CB 4.17Å; A490-A494 WeakPolarHBondContact O-CB 3.37Å; A490-A494 PolarHBondContact O-N 3.13Å; A491-A494 PolarHBondContact O-N 3.34Å; A491-A494 VanDerWaalsContact O-N 3.12Å
495	L	95.6	Very high	94.2	Very high	61 Å²	61	32.5 Å²	32.5	32%	0.319	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	12.4	177.5	-60.9	174.6	0	0	0	113.6	V117 A491 R492 R493 Q497	V117-L495 HydrophobicContact CG1-CD1 4.17Å; A491-L495 WeakPolarHBondContact O-CB 3.44Å; A491-L495 VanDerWaalsContact O-CG 3.29Å; A491-L495 WeakPolarHBondContact O-CG 3.35Å; A491-L495 PolarHBondContact O-N 3.45Å; R492-L495 CarbonylContact O-C 3.52Å; R492-L495 PolarHBondContact O-N 3.26Å; R493-L495 PolarHBondContact O-N 3.14Å; L495-Q497 HydrophobicContact CB-CG 4.24Å; L495-Q497 PolarHBondContact O-N 3.21Å
496	S	93.9	Very high	93.9	Very high	119 Å²	119	35.2 Å²	35.2	83%	0.832	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	32.3	-179.4	-57	0	0	0	0	114.6	R492 R493	R492-S496 PolarHBondContact O-N 3.08Å; R492-S496 VanDerWaalsContact O-N 3.16Å; R493-S496 PolarHBondContact O-N 2.91Å; R493-S496 VanDerWaalsContact O-N 3.12Å
497	Q	93.9	Very high	93.8	Very high	75 Å²	75	35.2 Å²	35.2	35%	0.35	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-95.9	152.9	174.7	-63	-179.2	-3.6	0	0	110.8	R492 L495	R492-Q497 HydrophobicContact CB-CB 3.99Å; R492-Q497 HydrophobicContact CG-CB 4.37Å; R492-Q497 WeakPolarHBondContact O-CA 3.09Å; R492-Q497 WeakPolarHBondContact O-CB 3.39Å; R492-Q497 PolarHBondContact O-N 3.03Å; L495-Q497 HydrophobicContact CB-CG 4.24Å; L495-Q497 PolarHBondContact O-N 3.21Å
498	P	90.8	Very high	93.6	Very high	91 Å²	91	36.2 Å²	36.2	59%	0.591	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-63.8	142.5	179	25	-33	0	0	0	111	R492	R492-P498 PolarHBondContact NE-O 3.14Å; R492-P498 PolarHBondContact NH2-O 3.36Å
499	P	89	Confident	93.6	Very high	95 Å²	95	36.2 Å²	36.2	62%	0.617	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-60.7	140.5	178.3	26.5	-34	0	0	0	110.3	A455	A455-P499 HydrophobicContact CB-CB 4.31Å
500	A	91.9	Very high	93.4	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-76.3	143.1	175.6	0	0	0	0	0	110	W485 V488 N489 L554	W485-A500 HydrophobicContact CH2-CB 3.4Å; W485-A500 VanDerWaalsContact CZ2-C 3.47Å; W485-A500 HydrophobicContact CZ2-CB 3.81Å; W485-A500 VanDerWaalsContact CZ2-O 3.22Å; W485-A500 WeakPolarHBondContact CZ2-O 3.38Å; W485-A500 HydrophobicContact CZ3-CB 4.1Å; V488-A500 HydrophobicContact CG1-CB 4.41Å; N489-A500 WeakPolarHBondContact OD1-CB 3.5Å; N489-A500 PolarHBondContact OD1-N 3.17Å; N489-A500 PolarHBondContact OD1-O 2.91Å; A500-L554 HydrophobicContact CB-CD1 3.78Å; A500-L554 HydrophobicContact CB-CD2 3.61Å; A500-L554 HydrophobicContact CB-CG 4.32Å
501	A	85.9	Confident	93.2	Very high	71 Å²	71	36.2 Å²	36.2	59%	0.587	22%	0.215	S	C	*	.			trans	-118.9	137.1	173.6	0	0	0	0	0	110.2	K550	A501-K550 WeakPolarHBondContact O-CE 3.29Å; A501-K550 PolarHBondContact O-NZ 2.96Å
502	L	90.2	Very high	93	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.136	22%	0.215	C	C	.	.			trans	-124.6	116	178.1	-169.3	62.9	0	0	0	109.2	W485 S507 I509 L547	W485-L502 HydrophobicContact CE3-CD2 4.4Å; W485-L502 HydrophobicContact CH2-CB 3.62Å; W485-L502 HydrophobicContact CZ2-CB 3.52Å; W485-L502 HydrophobicContact CZ3-CB 4.18Å; W485-L502 HydrophobicContact CZ3-CD2 4.41Å; L502-S507 WeakPolarHBondContact CD2-OG 3.2Å; L502-S507 WeakPolarHBondContact CG-OG 3.46Å; L502-I509 HydrophobicContact CD2-CB 3.63Å; L502-I509 HydrophobicContact CD2-CG2 3.65Å; L502-L547 HydrophobicContact CD1-CD2 3.81Å
503	S	90.2	Very high	92.9	Very high	13 Å²	13	35.3 Å²	35.3	9%	0.091	21%	0.212	C	C	.	.			trans	-74.7	144.6	-177	178.6	0	0	0	0	110.5	T505 E506 S507 E664	S503-T505 PolarHBondContact O-N 2.81Å; S503-T505 PolarHBondContact OG-N 3.28Å; S503-T505 VanDerWaalsContact OG-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 2.83Å; S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact O-N 3.1Å; S503-S507 PolarHBondContact O-N 2.95Å; S503-S507 PolarHBondContact O-OG 3.27Å; S503-E664 VanDerWaalsContact CB-OE2 3.32Å; S503-E664 WeakPolarHBondContact CB-OE2 3.45Å; S503-E664 PolarHBondContact OG-OE2 3.48Å
504	R	90.8	Very high	92.7	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.026	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21	169.5	70	178.4	-66.2	124.8	6.5	112.7	E506 V511 D514 D515 E533	R504-E506 VanDerWaalsContact C-N 3.29Å; R504-V511 HydrophobicContact CB-CG2 3.94Å; R504-V511 WeakPolarHBondContact O-CG2 3.3Å; R504-D514 IonicContact CZ-OD2 3.48Å; R504-D514 IonicContact NH1-OD2 3.54Å; R504-D514 PolarHBondContact NH1-OD2 3.01Å; R504-D515 IonicContact NH1-OD1 3.49Å; R504-D515 PolarHBondContact NH1-OD1 3.22Å; R504-E533 IonicContact CZ-OE1 3.3Å; R504-E533 IonicContact CZ-OE2 3.96Å; R504-E533 IonicContact NE-OE1 3.94Å; R504-E533 IonicContact NE-OE2 3.34Å; R504-E533 PolarHBondContact NE-OE2 3.46Å; R504-E533 IonicContact NH2-OE1 3.93Å; R504-E533 PolarHBondContact NH2-OE1 3.2Å; R504-E533 IonicContact NH2-OE2 2.74Å; R504-E533 PolarHBondContact NH2-OE2 3.48Å
505	T	91.8	Very high	92.5	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.037	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.9	176.1	66.4	0	0	0	0	113	S503 F534 L538 I657 I660 Q661	S503-T505 PolarHBondContact O-N 2.81Å; S503-T505 PolarHBondContact OG-N 3.28Å; S503-T505 VanDerWaalsContact OG-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 2.83Å; T505-F534 HydrophobicContact CG2-CD2 4.13Å; T505-F534 HydrophobicContact CG2-CE2 3.81Å; T505-L538 WeakPolarHBondContact O-CD2 3.42Å; T505-I657 HydrophobicContact CG2-CG2 4.4Å; T505-I660 HydrophobicContact CG2-CB 4Å; T505-I660 HydrophobicContact CG2-CD1 4.45Å; T505-I660 HydrophobicContact CG2-CG2 3.62Å; T505-Q661 HydrophobicContact CG2-CG 4.44Å; T505-Q661 WeakPolarHBondContact OG1-CG 3.38Å; T505-Q661 PolarHBondContact OG1-NE2 2.89Å
506	E	92.2	Very high	92.3	Very high	61 Å²	61	29.8 Å²	29.8	29%	0.285	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-22.9	-175.1	-65.8	175.8	155	0	0	112.9	S503 R504 L538 R546 K550	S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact O-N 3.1Å; R504-E506 VanDerWaalsContact C-N 3.29Å; E506-L538 WeakPolarHBondContact O-CD2 3.35Å; E506-R546 PolarHBondContact O-NH1 2.83Å; E506-K550 IonicContact OE1-NZ 2.86Å; E506-K550 IonicContact OE2-NZ 3.79Å; E506-K550 PolarHBondContact OE2-NZ 3.28Å
507	S	94.8	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.149	C	C	.	.			trans	-158.1	153.7	-174	65	0	0	0	0	115.4	E151 L502 S503 I509 G510 V511	E151-S507 VanDerWaalsContact OE1-CA 3.28Å; E151-S507 WeakPolarHBondContact OE1-CA 3.47Å; E151-S507 WeakPolarHBondContact OE2-CB 3.42Å; L502-S507 WeakPolarHBondContact CD2-OG 3.2Å; L502-S507 WeakPolarHBondContact CG-OG 3.46Å; S503-S507 PolarHBondContact O-N 2.95Å; S503-S507 PolarHBondContact O-OG 3.27Å; S507-I509 VanDerWaalsContact C-N 3.32Å; S507-G510 PolarHBondContact O-N 2.87Å; S507-G510 PolarHBondContact OG-N 2.81Å; S507-V511 WeakPolarHBondContact O-CG2 3.37Å; S507-V511 PolarHBondContact O-N 3.48Å; S507-V511 VanDerWaalsContact O-N 3.1Å
508	Y	95.4	Very high	91.6	Very high	21 Å²	21	21.7 Å²	21.7	8%	0.082	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-30.9	165.6	-90.6	-108.3	0	0	0	112.5	H147 E151 G510 V511 L512 M527 A532 L538	H147-Y508 HydrophobicContact CB-CD1 4.12Å; H147-Y508 HydrophobicContact CB-CD2 3.92Å; H147-Y508 HydrophobicContact CB-CE1 4.47Å; H147-Y508 HydrophobicContact CB-CE2 4.26Å; H147-Y508 HydrophobicContact CB-CG 3.86Å; H147-Y508 AromaticContact CD2-CD2 3.83Å; H147-Y508 AromaticContact CD2-CE2 3.34Å; H147-Y508 WeakPolarHBondContact CD2-CE2 3.21Å; H147-Y508 AromaticContact CD2-CZ 3.62Å; E151-Y508 PolarHBondContact OE1-N 3.03Å; E151-Y508 VanDerWaalsContact OE2-CA 3.31Å; E151-Y508 WeakPolarHBondContact OE2-CA 3.15Å; E151-Y508 VanDerWaalsContact OE2-CB 3.32Å; E151-Y508 WeakPolarHBondContact OE2-CB 3.45Å; E151-Y508 PolarHBondContact OE2-N 2.77Å; Y508-G510 VanDerWaalsContact C-N 3.32Å; Y508-V511 PolarHBondContact O-N 3.04Å; Y508-L512 WeakPolarHBondContact O-CB 3.38Å; Y508-L512 PolarHBondContact O-N 3.14Å; Y508-M527 HydrophobicContact CD1-CE 3.49Å; Y508-M527 VanDerWaalsContact CD1-CE 3.49Å; Y508-M527 HydrophobicContact CE1-CE 4.35Å; Y508-M527 HydrophobicContact CG-CE 4.3Å; Y508-A532 HydrophobicContact CE1-CB 4.13Å; Y508-A532 HydrophobicContact CE2-CB 4.05Å; Y508-L538 HydrophobicContact CD2-CB 3.84Å; Y508-L538 HydrophobicContact CD2-CD1 4.3Å; Y508-L538 HydrophobicContact CE2-CB 3.64Å; Y508-L538 HydrophobicContact CE2-CD1 4.37Å; Y508-L538 VanDerWaalsContact CE2-O 3.27Å; Y508-L538 WeakPolarHBondContact CE2-O 3.46Å
509	I	96.6	Very high	91.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-44	171	-59.1	176.7	0	0	0	110	L148 E151 V152 L155 A481 W485 L502 S507 L512 V513	L148-I509 HydrophobicContact CD2-CG1 3.85Å; E151-I509 HydrophobicContact CB-CD1 3.84Å; E151-I509 HydrophobicContact CB-CG1 4.04Å; E151-I509 WeakPolarHBondContact OE2-CG1 3.31Å; E151-I509 PolarHBondContact OE2-N 3.1Å; V152-I509 HydrophobicContact CG2-CD1 4.15Å; L155-I509 HydrophobicContact CD1-CD1 3.9Å; A481-I509 HydrophobicContact CB-CD1 4.33Å; A481-I509 HydrophobicContact CB-CG1 3.9Å; A481-I509 HydrophobicContact CB-CG2 4.41Å; W485-I509 HydrophobicContact CB-CG2 4.5Å; L502-I509 HydrophobicContact CD2-CB 3.63Å; L502-I509 HydrophobicContact CD2-CG2 3.65Å; S507-I509 VanDerWaalsContact C-N 3.32Å; I509-L512 WeakPolarHBondContact O-CB 3.45Å; I509-L512 PolarHBondContact O-N 3.16Å; I509-V513 HydrophobicContact CG2-CG2 4.48Å; I509-V513 WeakPolarHBondContact O-CG2 3.16Å; I509-V513 PolarHBondContact O-N 3.28Å
510	G	94.3	Very high	91.2	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-43.9	174.7	0	0	0	0	0	112.3	S507 Y508 V513 D514	S507-G510 PolarHBondContact O-N 2.87Å; S507-G510 PolarHBondContact OG-N 2.81Å; Y508-G510 VanDerWaalsContact C-N 3.32Å; G510-V513 PolarHBondContact O-N 2.87Å; G510-D514 WeakPolarHBondContact O-CB 3.31Å; G510-D514 PolarHBondContact O-N 3.35Å
511	V	93.7	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-46.5	174	174.8	0	0	0	0	111.3	R504 S507 Y508 D515 L538	R504-V511 HydrophobicContact CB-CG2 3.94Å; R504-V511 WeakPolarHBondContact O-CG2 3.3Å; S507-V511 WeakPolarHBondContact O-CG2 3.37Å; S507-V511 PolarHBondContact O-N 3.48Å; S507-V511 VanDerWaalsContact O-N 3.1Å; Y508-V511 PolarHBondContact O-N 3.04Å; V511-D515 WeakPolarHBondContact O-CB 3.4Å; V511-D515 PolarHBondContact O-N 2.68Å; V511-L538 HydrophobicContact CG2-CD1 4.36Å
512	L	95.1	Very high	90.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-53.4	178.3	169.9	61.9	0	0	0	111.1	L148 T473 E478 A481 Q482 Y508 I509 L516 Y525 M527	L148-L512 HydrophobicContact CD1-CD2 4.14Å; L148-L512 HydrophobicContact CD2-CD2 4.46Å; T473-L512 HydrophobicContact CG2-CD1 4.05Å; E478-L512 HydrophobicContact CB-CD2 4.28Å; E478-L512 HydrophobicContact CG-CD1 4.4Å; E478-L512 HydrophobicContact CG-CD2 4.49Å; A481-L512 HydrophobicContact CB-CD2 4.06Å; Q482-L512 HydrophobicContact CG-CD2 4.04Å; Y508-L512 WeakPolarHBondContact O-CB 3.38Å; Y508-L512 PolarHBondContact O-N 3.14Å; I509-L512 WeakPolarHBondContact O-CB 3.45Å; I509-L512 PolarHBondContact O-N 3.16Å; L512-L516 HydrophobicContact CD1-CD1 3.83Å; L512-L516 HydrophobicContact CD1-CG 4.23Å; L512-L516 HydrophobicContact CG-CD1 4.15Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.48Å; L512-L516 VanDerWaalsContact O-N 3.14Å; L512-Y525 HydrophobicContact CD1-CD1 3.61Å; L512-Y525 HydrophobicContact CD1-CE1 3.36Å; L512-M527 HydrophobicContact CB-CE 4.13Å; L512-M527 HydrophobicContact CB-SD 3.71Å; L512-M527 HydrophobicContact CD1-SD 3.71Å; L512-M527 HydrophobicContact CD2-SD 4.41Å; L512-M527 HydrophobicContact CG-SD 4.14Å
513	V	94.3	Very high	90	Very high	7 Å²	7	24 Å²	24	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-44.8	-176.7	173.9	0	0	0	0	110.7	P454 L456 I509 G510 D515 L516 V517	P454-V513 WeakPolarHBondContact O-CG1 3.4Å; L456-V513 HydrophobicContact CD1-CG2 4.38Å; L456-V513 HydrophobicContact CD2-CG1 3.93Å; L456-V513 HydrophobicContact CD2-CG2 4.23Å; L456-V513 HydrophobicContact CG-CG1 4.41Å; L456-V513 HydrophobicContact CG-CG2 4.46Å; I509-V513 HydrophobicContact CG2-CG2 4.48Å; I509-V513 WeakPolarHBondContact O-CG2 3.16Å; I509-V513 PolarHBondContact O-N 3.28Å; G510-V513 PolarHBondContact O-N 2.87Å; V513-D515 PolarHBondContact O-N 2.79Å; V513-L516 PolarHBondContact O-N 2.83Å; V513-V517 HydrophobicContact CG1-CG1 4.36Å; V513-V517 WeakPolarHBondContact O-CG1 3.47Å; V513-V517 WeakPolarHBondContact O-CG2 3.4Å; V513-V517 PolarHBondContact O-N 2.94Å
514	D	90.4	Very high	89.7	Confident	19 Å²	19	24.5 Å²	24.5	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-43.7	-179.7	-173.9	75.1	0	0	0	112.3	R504 G510 L516 S518 R702	R504-D514 IonicContact CZ-OD2 3.48Å; R504-D514 IonicContact NH1-OD2 3.54Å; R504-D514 PolarHBondContact NH1-OD2 3.01Å; G510-D514 WeakPolarHBondContact O-CB 3.31Å; G510-D514 PolarHBondContact O-N 3.35Å; D514-L516 VanDerWaalsContact C-N 3.35Å; D514-L516 PolarHBondContact O-N 2.87Å; D514-S518 WeakPolarHBondContact O-CB 3.42Å; D514-S518 PolarHBondContact O-N 3.33Å; D514-S518 PolarHBondContact O-OG 3.26Å; D514-R702 IonicContact OD1-CZ 2.84Å; D514-R702 IonicContact OD1-NE 3.41Å; D514-R702 PolarHBondContact OD1-NE 3.48Å; D514-R702 IonicContact OD1-NH2 3.4Å; D514-R702 PolarHBondContact OD1-NH2 2.86Å; D514-R702 WeakPolarHBondContact OD2-CD 3.03Å; D514-R702 IonicContact OD2-CZ 3.69Å; D514-R702 IonicContact OD2-NE 2.68Å; D514-R702 PolarHBondContact OD2-NE 2.9Å; D514-R702 IonicContact OD2-NH2 2.65Å
515	D	90.9	Very high	89.6	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-42.6	176.5	-81.3	-5.2	0	0	0	111.3	R504 V511 V513 R519 Y525	R504-D515 IonicContact NH1-OD1 3.49Å; R504-D515 PolarHBondContact NH1-OD1 3.22Å; V511-D515 WeakPolarHBondContact O-CB 3.4Å; V511-D515 PolarHBondContact O-N 2.68Å; V513-D515 PolarHBondContact O-N 2.79Å; D515-R519 WeakPolarHBondContact O-CB 3.49Å; D515-R519 PolarHBondContact O-N 3.21Å; D515-R519 IonicContact OD1-CZ 3.59Å; D515-R519 IonicContact OD1-NH1 3.45Å; D515-Y525 HydrophobicContact CB-CE2 3.72Å; D515-Y525 PolarHBondContact OD2-OH 3.3Å
516	L	91.6	Very high	89.4	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-49.5	179.1	-72.8	172.8	0	0	0	112.2	P449 T473 L512 V513 D514 G520 V521 Y525	P449-L516 HydrophobicContact CB-CB 4.03Å; P449-L516 HydrophobicContact CG-CB 4.31Å; P449-L516 HydrophobicContact CG-CD2 4.28Å; P449-L516 WeakPolarHBondContact CG-O 3.49Å; T473-L516 HydrophobicContact CG2-CD1 3.59Å; T473-L516 HydrophobicContact CG2-CD2 3.72Å; T473-L516 HydrophobicContact CG2-CG 4.2Å; L512-L516 HydrophobicContact CD1-CD1 3.83Å; L512-L516 HydrophobicContact CD1-CG 4.23Å; L512-L516 HydrophobicContact CG-CD1 4.15Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.48Å; L512-L516 VanDerWaalsContact O-N 3.14Å; V513-L516 PolarHBondContact O-N 2.83Å; D514-L516 VanDerWaalsContact C-N 3.35Å; D514-L516 PolarHBondContact O-N 2.87Å; L516-G520 WeakPolarHBondContact O-CA 3.24Å; L516-G520 PolarHBondContact O-N 2.86Å; L516-G520 VanDerWaalsContact O-N 3.15Å; L516-V521 HydrophobicContact CD2-CG1 3.53Å; L516-Y525 HydrophobicContact CD2-CD2 4.4Å; L516-Y525 HydrophobicContact CD2-CG 4.06Å
517	V	89.8	Confident	89.2	Confident	12 Å²	12	24.4 Å²	24.4	7%	0.073	12%	0.124	C	C	.	.	H	α-helix	trans	-77.3	-26.9	-174.9	-56	0	0	0	0	112.8	T450 L452 V513	T450-V517 WeakPolarHBondContact CA-O 3.25Å; L452-V517 HydrophobicContact CB-CG1 4.05Å; V513-V517 HydrophobicContact CG1-CG1 4.36Å; V513-V517 WeakPolarHBondContact O-CG1 3.47Å; V513-V517 WeakPolarHBondContact O-CG2 3.4Å; V513-V517 PolarHBondContact O-N 2.94Å
518	S	84.8	Confident	88.5	Confident	12 Å²	12	28.5 Å²	28.5	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-89.9	-48	-177.9	-53.3	0	0	0	0	112.4	D514	D514-S518 WeakPolarHBondContact O-CB 3.42Å; D514-S518 PolarHBondContact O-N 3.33Å; D514-S518 PolarHBondContact O-OG 3.26Å
519	R	84.2	Confident	87.4	Confident	151 Å²	151	31.4 Å²	31.4	57%	0.57	16%	0.162	S	C	*	.	H	α-helix	trans	-95.1	-21.6	-173.6	-60	179	175.8	161.2	2.4	113.1	D515	D515-R519 WeakPolarHBondContact O-CB 3.49Å; D515-R519 PolarHBondContact O-N 3.21Å; D515-R519 IonicContact OD1-CZ 3.59Å; D515-R519 IonicContact OD1-NH1 3.45Å
520	G	86.7	Confident	86.5	Confident	15 Å²	15	32.4 Å²	32.4	16%	0.155	17%	0.169	C	C	.	.			trans	69.5	-171.4	-171	0	0	0	0	0	112.5	T450 L516	T450-G520 VanDerWaalsContact CG2-CA 3.47Å; L516-G520 WeakPolarHBondContact O-CA 3.24Å; L516-G520 PolarHBondContact O-N 2.86Å; L516-G520 VanDerWaalsContact O-N 3.15Å
521	V	86.4	Confident	85.5	Confident	15 Å²	15	42 Å²	42	9%	0.091	20%	0.204	C	C	.	.			trans	-137.8	129.2	-179.5	-61.9	0	0	0	0	110.6	Y446 P449 L516	Y446-V521 HydrophobicContact CD2-CG2 3.99Å; Y446-V521 HydrophobicContact CE2-CG2 3.44Å; Y446-V521 VanDerWaalsContact CE2-CG2 3.44Å; Y446-V521 PolarHBondContact OH-O 2.97Å; P449-V521 HydrophobicContact CG-CG1 4.2Å; P449-V521 HydrophobicContact CG-CG2 3.94Å; L516-V521 HydrophobicContact CD2-CG1 3.53Å
522	T	76.7	Confident	84.9	Confident	124 Å²	124	42.7 Å²	42.7	76%	0.761	21%	0.209	S	C	*	.	S	Bend	trans	-103	-25.8	170.6	52.2	0	0	0	0	112
523	E	79.6	Confident	84.4	Confident	35 Å²	35	47.2 Å²	47.2	16%	0.164	23%	0.231	C	C	.	.	S	Bend	trans	-132.2	161.2	173.3	66.4	-169.3	139.3	0	0	108.4	P374 R375 Y376 Y525	P374-E523 HydrophobicContact CB-CB 4.16Å; P374-E523 WeakPolarHBondContact CB-OE2 3.15Å; R375-E523 WeakPolarHBondContact CA-OE2 3.47Å; R375-E523 WeakPolarHBondContact CB-OE1 3.32Å; R375-E523 IonicContact CZ-OE1 3.78Å; R375-E523 PolarHBondContact N-OE2 2.59Å; R375-E523 IonicContact NE-OE1 2.86Å; R375-E523 PolarHBondContact NE-OE1 3.43Å; R375-E523 IonicContact NH2-OE1 3.5Å; R375-E523 PolarHBondContact NH2-OE1 2.92Å; R375-E523 VanDerWaalsContact NH2-OE1 3.14Å; Y376-E523 PolarHBondContact N-OE2 3.14Å; Y376-E523 VanDerWaalsContact N-OE2 3.15Å; E523-Y525 PolarHBondContact O-N 3.47Å; E523-Y525 VanDerWaalsContact O-N 3.09Å
524	P	83.8	Confident	84.1	Confident	22 Å²	22	47.2 Å²	47.2	14%	0.143	23%	0.23	C	C	.	.			trans	-58.4	119.1	-177.7	-23.5	34.7	0	0	0	111.7	L297 T299 G472 T474	L297-P524 HydrophobicContact CB-CG 4.3Å; L297-P524 HydrophobicContact CD1-CG 4.25Å; L297-P524 HydrophobicContact CD2-CG 4.11Å; L297-P524 HydrophobicContact CG-CG 4.44Å; T299-P524 HydrophobicContact CG2-CG 4.38Å; G472-P524 CarbonylContact O-C 3.49Å; G472-P524 VanDerWaalsContact O-CA 3.3Å; G472-P524 WeakPolarHBondContact O-CA 3.41Å; T474-P524 HydrophobicContact CG2-CB 3.47Å; T474-P524 VanDerWaalsContact CG2-CB 3.47Å
525	Y	89.1	Confident	84.1	Confident	28 Å²	28	52.5 Å²	52.5	11%	0.11	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-68.3	138.9	-177.3	-177.8	-80.2	0	0	0	111.5	G472 T473 T474 L512 D515 L516 E523 M527 S530	G472-Y525 PolarHBondContact O-N 3.43Å; T473-Y525 HydrophobicContact CG2-CD1 4.31Å; T474-Y525 PolarHBondContact N-O 3.49Å; L512-Y525 HydrophobicContact CD1-CD1 3.61Å; L512-Y525 HydrophobicContact CD1-CE1 3.36Å; D515-Y525 HydrophobicContact CB-CE2 3.72Å; D515-Y525 PolarHBondContact OD2-OH 3.3Å; L516-Y525 HydrophobicContact CD2-CD2 4.4Å; L516-Y525 HydrophobicContact CD2-CG 4.06Å; E523-Y525 PolarHBondContact O-N 3.47Å; E523-Y525 VanDerWaalsContact O-N 3.09Å; Y525-M527 HydrophobicContact CE1-SD 3.65Å; Y525-S530 WeakPolarHBondContact OH-CB 3.42Å
526	R	87.5	Confident	84	Confident	42 Å²	42	53 Å²	53	16%	0.158	25%	0.252	C	S	.	.			trans	-137.6	132.7	-177.4	-66.1	169	-177.3	-97.9	2.2	110.1	Y376 T474 F528 T529	Y376-R526 VanDerWaalsContact CE1-CZ 3.42Å; T474-R526 HydrophobicContact CG2-CG 3.49Å; T474-R526 VanDerWaalsContact CG2-CG 3.49Å; T474-R526 VanDerWaalsContact CG2-CZ 3.44Å; R526-F528 VanDerWaalsContact C-N 3.29Å; R526-F528 HydrophobicContact CB-CD1 3.92Å; R526-F528 HydrophobicContact CB-CE1 3.54Å; R526-F528 HydrophobicContact CB-CZ 4.03Å; R526-F528 HydrophobicContact CG-CE1 4.03Å; R526-F528 HydrophobicContact CG-CZ 4.44Å; R526-F528 PolarHBondContact O-N 3.29Å; R526-F528 VanDerWaalsContact O-N 3.16Å; R526-T529 PolarHBondContact O-N 3.05Å; R526-T529 PolarHBondContact O-OG1 2.82Å
527	M	87.4	Confident	84	Confident	2 Å²	2	54 Å²	54	1%	0.01	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.7	-173.7	-73.5	-50.4	-70.3	0	0	115.1	L148 E478 Y508 L512 Y525 T529 S530	L148-M527 HydrophobicContact CD1-CG 3.34Å; L148-M527 HydrophobicContact CD1-SD 3.98Å; L148-M527 HydrophobicContact CD2-CE 4.35Å; L148-M527 HydrophobicContact CG-CE 4.49Å; L148-M527 HydrophobicContact CG-CG 4.03Å; E478-M527 HydrophobicContact CG-CG 3.69Å; E478-M527 HydrophobicContact CG-SD 4.38Å; E478-M527 PolarHBondContact OE1-N 3.25Å; Y508-M527 HydrophobicContact CD1-CE 3.49Å; Y508-M527 VanDerWaalsContact CD1-CE 3.49Å; Y508-M527 HydrophobicContact CE1-CE 4.35Å; Y508-M527 HydrophobicContact CG-CE 4.3Å; L512-M527 HydrophobicContact CB-CE 4.13Å; L512-M527 HydrophobicContact CB-SD 3.71Å; L512-M527 HydrophobicContact CD1-SD 3.71Å; L512-M527 HydrophobicContact CD2-SD 4.41Å; L512-M527 HydrophobicContact CG-SD 4.14Å; Y525-M527 HydrophobicContact CE1-SD 3.65Å; M527-T529 PolarHBondContact O-N 3.37Å; M527-T529 VanDerWaalsContact O-N 3.08Å; M527-S530 WeakPolarHBondContact O-CB 3.48Å; M527-S530 PolarHBondContact O-N 3.32Å; M527-S530 PolarHBondContact O-OG 2.81Å
528	F	80.9	Confident	84.2	Confident	87 Å²	87	53.4 Å²	53.4	38%	0.382	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.7	-14.1	-178.9	67.8	-98.8	0	0	0	113.3	Y376 R526	Y376-F528 HydrophobicContact CD1-CZ 4.47Å; Y376-F528 HydrophobicContact CD2-CE2 4.04Å; Y376-F528 AromaticContact CD2-CZ 3.72Å; Y376-F528 HydrophobicContact CD2-CZ 3.72Å; Y376-F528 HydrophobicContact CE1-CZ 4.25Å; Y376-F528 HydrophobicContact CE2-CE1 4.48Å; Y376-F528 AromaticContact CE2-CE2 3.98Å; Y376-F528 HydrophobicContact CE2-CE2 3.98Å; Y376-F528 AromaticContact CE2-CZ 3.47Å; Y376-F528 HydrophobicContact CE2-CZ 3.47Å; Y376-F528 VanDerWaalsContact CE2-CZ 3.47Å; Y376-F528 HydrophobicContact CG-CZ 4.2Å; Y376-F528 AromaticContact CZ-CZ 3.75Å; R526-F528 VanDerWaalsContact C-N 3.29Å; R526-F528 HydrophobicContact CB-CD1 3.92Å; R526-F528 HydrophobicContact CB-CE1 3.54Å; R526-F528 HydrophobicContact CB-CZ 4.03Å; R526-F528 HydrophobicContact CG-CE1 4.03Å; R526-F528 HydrophobicContact CG-CZ 4.44Å; R526-F528 PolarHBondContact O-N 3.29Å; R526-F528 VanDerWaalsContact O-N 3.16Å
529	T	72.6	Confident	84.7	Confident	82 Å²	82	52.9 Å²	52.9	50%	0.503	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-88.1	-13.4	173.6	65.2	0	0	0	0	112.8	R526 M527	R526-T529 PolarHBondContact O-N 3.05Å; R526-T529 PolarHBondContact O-OG1 2.82Å; M527-T529 PolarHBondContact O-N 3.37Å; M527-T529 VanDerWaalsContact O-N 3.08Å
530	S	76	Confident	85.1	Confident	21 Å²	21	45.8 Å²	45.8	15%	0.147	23%	0.225	C	C	.	.			trans	-73.8	148	-180	83.7	0	0	0	0	110.8	Y525 M527	Y525-S530 WeakPolarHBondContact OH-CB 3.42Å; M527-S530 WeakPolarHBondContact O-CB 3.48Å; M527-S530 PolarHBondContact O-N 3.32Å; M527-S530 PolarHBondContact O-OG 2.81Å
531	R	74.6	Confident	85.5	Confident	205 Å²	205	46 Å²	46	77%	0.774	22%	0.222	S	C	*	.			trans	-104.6	101.9	172.1	-68	-173.6	-179.7	-173.6	0.3	107.5	E533	R531-E533 PolarHBondContact O-N 3.17Å
532	A	81.1	Confident	85.9	Confident	13 Å²	13	46 Å²	46	11%	0.107	22%	0.222	C	C	.	.			trans	-81.4	109.3	166.1	0	0	0	0	0	108.5	Y508 F534 R535 L538	Y508-A532 HydrophobicContact CE1-CB 4.13Å; Y508-A532 HydrophobicContact CE2-CB 4.05Å; A532-F534 VanDerWaalsContact C-N 3.26Å; A532-F534 PolarHBondContact O-N 2.95Å; A532-R535 PolarHBondContact O-N 2.99Å; A532-L538 HydrophobicContact CB-CD1 4.39Å
533	E	83.6	Confident	86.8	Confident	96 Å²	96	40 Å²	40	45%	0.449	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.2	-177.9	-60.4	84.3	177.6	0	0	111.2	R504 R531 R535	R504-E533 IonicContact CZ-OE1 3.3Å; R504-E533 IonicContact CZ-OE2 3.96Å; R504-E533 IonicContact NE-OE1 3.94Å; R504-E533 IonicContact NE-OE2 3.34Å; R504-E533 PolarHBondContact NE-OE2 3.46Å; R504-E533 IonicContact NH2-OE1 3.93Å; R504-E533 PolarHBondContact NH2-OE1 3.2Å; R504-E533 IonicContact NH2-OE2 2.74Å; R504-E533 PolarHBondContact NH2-OE2 3.48Å; R531-E533 PolarHBondContact O-N 3.17Å; E533-R535 PolarHBondContact O-N 3.09Å
534	F	89.3	Confident	87.6	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	40.5	-176.4	-54	-67.5	0	0	0	113.3	T505 A532 T536 S537 L538 N653 E656 I657 I660	T505-F534 HydrophobicContact CG2-CD2 4.13Å; T505-F534 HydrophobicContact CG2-CE2 3.81Å; A532-F534 VanDerWaalsContact C-N 3.26Å; A532-F534 PolarHBondContact O-N 2.95Å; F534-T536 PolarHBondContact O-N 3.31Å; F534-S537 PolarHBondContact O-N 3.48Å; F534-L538 HydrophobicContact CB-CD1 4.42Å; F534-L538 HydrophobicContact CB-CG 4.31Å; F534-L538 WeakPolarHBondContact O-CG 3.34Å; F534-L538 PolarHBondContact O-N 3.35Å; F534-N653 HydrophobicContact CD1-CB 3.94Å; F534-N653 HydrophobicContact CE1-CB 4.25Å; F534-E656 HydrophobicContact CE1-CB 4.32Å; F534-E656 HydrophobicContact CE1-CG 4.07Å; F534-E656 HydrophobicContact CZ-CB 4.48Å; F534-E656 HydrophobicContact CZ-CG 3.87Å; F534-I657 HydrophobicContact CB-CD1 4.43Å; F534-I657 HydrophobicContact CD1-CD1 3.83Å; F534-I657 HydrophobicContact CD1-CG1 3.57Å; F534-I657 HydrophobicContact CD2-CG1 4.07Å; F534-I657 HydrophobicContact CE1-CD1 4.28Å; F534-I657 HydrophobicContact CE1-CG1 3.54Å; F534-I657 HydrophobicContact CE2-CG1 4.06Å; F534-I657 HydrophobicContact CG-CD1 4.02Å; F534-I657 HydrophobicContact CG-CG1 3.83Å; F534-I657 HydrophobicContact CZ-CG1 3.8Å; F534-I660 HydrophobicContact CE2-CD1 3.63Å; F534-I660 HydrophobicContact CZ-CD1 3.56Å
535	R	88.9	Confident	88.2	Confident	131 Å²	131	40.2 Å²	40.2	49%	0.494	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.3	-177	69.3	-175	-174.3	114.4	1.9	114.9	A532 E533 S537	A532-R535 PolarHBondContact O-N 2.99Å; E533-R535 PolarHBondContact O-N 3.09Å; R535-S537 VanDerWaalsContact C-N 3.35Å
536	T	90	Very high	88.5	Confident	13 Å²	13	41.2 Å²	41.2	8%	0.08	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.7	177.8	60.2	0	0	0	0	112.9	A180 F534 R539 Y646 H649 N650 N653	A180-T536 HydrophobicContact CB-CG2 4.35Å; F534-T536 PolarHBondContact O-N 3.31Å; T536-R539 WeakPolarHBondContact O-CD 3.23Å; T536-R539 WeakPolarHBondContact O-CG 3.49Å; T536-R539 PolarHBondContact O-NH1 3.25Å; T536-Y646 HydrophobicContact CG2-CD1 3.91Å; T536-Y646 HydrophobicContact CG2-CE1 4.04Å; T536-H649 HydrophobicContact CG2-CB 4.25Å; T536-N650 WeakPolarHBondContact CB-OD1 3.41Å; T536-N650 PolarHBondContact O-OD1 2.98Å; T536-N650 PolarHBondContact OG1-OD1 2.77Å; T536-N653 PolarHBondContact OG1-ND2 2.82Å
537	S	91.7	Very high	88.9	Confident	21 Å²	21	39.2 Å²	39.2	15%	0.147	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-38.5	175.7	-52.2	0	0	0	0	111.2	F534 R535 R539 N542 N650	F534-S537 PolarHBondContact O-N 3.48Å; R535-S537 VanDerWaalsContact C-N 3.35Å; S537-R539 VanDerWaalsContact C-N 3.34Å; S537-R539 PolarHBondContact O-N 3.01Å; S537-R539 VanDerWaalsContact O-N 3.13Å; S537-N542 PolarHBondContact O-ND2 2.91Å; S537-N542 PolarHBondContact O-OD1 3.31Å; S537-N650 PolarHBondContact OG-OD1 3.46Å
538	L	93.8	Very high	89.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-86.9	66.9	-177.3	-60.8	-177.9	0	0	0	111.5	H147 T505 E506 Y508 V511 A532 F534	H147-L538 PolarHBondContact CD2-O 3.42Å; H147-L538 VanDerWaalsContact CD2-O 3.31Å; T505-L538 WeakPolarHBondContact O-CD2 3.42Å; E506-L538 WeakPolarHBondContact O-CD2 3.35Å; Y508-L538 HydrophobicContact CD2-CB 3.84Å; Y508-L538 HydrophobicContact CD2-CD1 4.3Å; Y508-L538 HydrophobicContact CE2-CB 3.64Å; Y508-L538 HydrophobicContact CE2-CD1 4.37Å; Y508-L538 VanDerWaalsContact CE2-O 3.27Å; Y508-L538 WeakPolarHBondContact CE2-O 3.46Å; V511-L538 HydrophobicContact CG2-CD1 4.36Å; A532-L538 HydrophobicContact CB-CD1 4.39Å; F534-L538 HydrophobicContact CB-CD1 4.42Å; F534-L538 HydrophobicContact CB-CG 4.31Å; F534-L538 WeakPolarHBondContact O-CG 3.34Å; F534-L538 PolarHBondContact O-N 3.35Å
539	R	94.1	Very high	90.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.			trans	-100.6	157.4	-174.9	-53.2	-168.7	-53	-83	-4.3	111.7	A180 T536 S537 D541 N542 R546 E643	A180-R539 HydrophobicContact CB-CG 4.49Å; T536-R539 WeakPolarHBondContact O-CD 3.23Å; T536-R539 WeakPolarHBondContact O-CG 3.49Å; T536-R539 PolarHBondContact O-NH1 3.25Å; S537-R539 VanDerWaalsContact C-N 3.34Å; S537-R539 PolarHBondContact O-N 3.01Å; S537-R539 VanDerWaalsContact O-N 3.13Å; R539-D541 VanDerWaalsContact C-N 3.28Å; R539-D541 WeakPolarHBondContact CB-OD1 3.33Å; R539-D541 IonicContact CZ-OD1 3.25Å; R539-D541 IonicContact CZ-OD2 3.72Å; R539-D541 IonicContact NE-OD1 2.68Å; R539-D541 PolarHBondContact NE-OD1 2.86Å; R539-D541 IonicContact NE-OD2 3.94Å; R539-D541 PolarHBondContact NE-OD2 2.87Å; R539-D541 IonicContact NH2-OD1 3.62Å; R539-D541 IonicContact NH2-OD2 2.68Å; R539-D541 PolarHBondContact NH2-OD2 3.33Å; R539-D541 PolarHBondContact O-N 3.22Å; R539-N542 PolarHBondContact N-OD1 3.11Å; R539-N542 PolarHBondContact NH2-ND2 3.1Å; R539-N542 PolarHBondContact O-OD1 3.23Å; R539-R546 PolarHBondContact O-NH2 2.93Å; R539-E643 IonicContact CZ-OE1 3.1Å; R539-E643 IonicContact NH1-OE1 3.5Å; R539-E643 IonicContact NH2-OE1 2.79Å; R539-E643 PolarHBondContact NH2-OE1 3.13Å
540	P	93.9	Very high	91.3	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	16%	0.159	C	C	.	.	S	Bend	trans	-69.6	-26.3	176.5	27.6	-33.3	0	0	0	112.4	R150 W182 L184 F329	R150-P540 HydrophobicContact CB-CB 4.46Å; R150-P540 WeakPolarHBondContact CD-O 3.34Å; R150-P540 HydrophobicContact CG-CB 4.04Å; W182-P540 HydrophobicContact CB-CG 4.41Å; L184-P540 HydrophobicContact CD1-CB 4.22Å; F329-P540 WeakPolarHBondContact CZ-O 3.36Å
541	D	94.1	Very high	92.3	Very high	18 Å²	18	34.4 Å²	34.4	10%	0.096	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.5	-176.9	61.2	-82.6	0	0	0	114.7	R539 I642	R539-D541 VanDerWaalsContact C-N 3.28Å; R539-D541 WeakPolarHBondContact CB-OD1 3.33Å; R539-D541 IonicContact CZ-OD1 3.25Å; R539-D541 IonicContact CZ-OD2 3.72Å; R539-D541 IonicContact NE-OD1 2.68Å; R539-D541 PolarHBondContact NE-OD1 2.86Å; R539-D541 IonicContact NE-OD2 3.94Å; R539-D541 PolarHBondContact NE-OD2 2.87Å; R539-D541 IonicContact NH2-OD1 3.62Å; R539-D541 IonicContact NH2-OD2 2.68Å; R539-D541 PolarHBondContact NH2-OD2 3.33Å; R539-D541 PolarHBondContact O-N 3.22Å; D541-I642 HydrophobicContact CB-CD1 4.39Å
542	N	95.3	Very high	93.3	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.08	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	13.6	-174.1	73.2	-3.8	0	0	0	113.7	S537 R539 D544 L545 R546	S537-N542 PolarHBondContact O-ND2 2.91Å; S537-N542 PolarHBondContact O-OD1 3.31Å; R539-N542 PolarHBondContact N-OD1 3.11Å; R539-N542 PolarHBondContact NH2-ND2 3.1Å; R539-N542 PolarHBondContact O-OD1 3.23Å; N542-D544 VanDerWaalsContact C-N 3.27Å; N542-D544 PolarHBondContact O-N 2.91Å; N542-L545 PolarHBondContact O-N 2.86Å; N542-R546 WeakPolarHBondContact O-CG 3.32Å; N542-R546 PolarHBondContact O-N 2.8Å; N542-R546 PolarHBondContact OD1-NE 2.84Å
543	A	96.6	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-35.1	-177.9	0	0	0	0	0	112.7	R150 E151 A154 F329 R546 L547	R150-A543 HydrophobicContact CB-CB 4.1Å; E151-A543 HydrophobicContact CG-CB 3.91Å; A154-A543 HydrophobicContact CB-CB 4.26Å; A154-A543 WeakPolarHBondContact CB-O 3.29Å; F329-A543 HydrophobicContact CE2-CB 3.92Å; F329-A543 HydrophobicContact CZ-CB 3.92Å; A543-R546 PolarHBondContact O-N 2.88Å; A543-L547 WeakPolarHBondContact O-CB 3.31Å; A543-L547 PolarHBondContact O-N 3.49Å
544	D	95.9	Very high	94.6	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-48.4	173	54.1	-13.8	0	0	0	112.3	F329 N542 R546 T548 R639	F329-D544 HydrophobicContact CB-CB 4.42Å; F329-D544 HydrophobicContact CD1-CB 3.98Å; F329-D544 HydrophobicContact CD2-CB 3.77Å; F329-D544 HydrophobicContact CE1-CB 4.09Å; F329-D544 HydrophobicContact CE2-CB 3.89Å; F329-D544 HydrophobicContact CG-CB 3.79Å; F329-D544 HydrophobicContact CZ-CB 4.03Å; N542-D544 VanDerWaalsContact C-N 3.27Å; N542-D544 PolarHBondContact O-N 2.91Å; D544-R546 VanDerWaalsContact C-N 3.28Å; D544-R546 PolarHBondContact O-N 3.1Å; D544-T548 VanDerWaalsContact CA-OG1 3.28Å; D544-T548 WeakPolarHBondContact CA-OG1 3.16Å; D544-T548 WeakPolarHBondContact O-CB 3.4Å; D544-T548 PolarHBondContact O-N 2.96Å; D544-T548 PolarHBondContact O-OG1 2.87Å; D544-R639 IonicContact OD1-NH1 2.82Å; D544-R639 PolarHBondContact OD1-NH1 3.26Å; D544-R639 IonicContact OD1-NH2 3.34Å; D544-R639 IonicContact OD2-CZ 3.75Å; D544-R639 IonicContact OD2-NH1 3.74Å; D544-R639 PolarHBondContact OD2-NH1 3.49Å; D544-R639 IonicContact OD2-NH2 2.85Å; D544-R639 PolarHBondContact OD2-NH2 3.39Å
545	L	95.1	Very high	94.8	Very high	54 Å²	54	33.2 Å²	33.2	28%	0.283	16%	0.162	S	C	.	.	H	α-helix	trans	-65.9	-31.6	179.6	-60.6	180	0	0	0	112.4	N542 V568 R569 L572	N542-L545 PolarHBondContact O-N 2.86Å; L545-V568 HydrophobicContact CD2-CG1 4.42Å; L545-R569 HydrophobicContact CD2-CB 3.77Å; L545-R569 HydrophobicContact CD2-CG 4.18Å; L545-L572 HydrophobicContact CD1-CD1 3.82Å; L545-L572 HydrophobicContact CD2-CD1 4.34Å
546	R	95.7	Very high	95.1	Very high	50 Å²	50	27 Å²	27	19%	0.189	14%	0.138	C	C	.	.	H	α-helix	trans	-78.3	-42.8	-179.9	-70.1	-176.7	-69.9	108.2	-7.8	112.6	E151 E506 R539 N542 A543 D544	E151-R546 IonicContact OE1-CZ 2.77Å; E151-R546 IonicContact OE1-NH1 2.73Å; E151-R546 PolarHBondContact OE1-NH1 3.38Å; E151-R546 IonicContact OE1-NH2 3.38Å; E151-R546 PolarHBondContact OE1-NH2 3.22Å; E151-R546 VanDerWaalsContact OE1-NH2 3.11Å; E506-R546 PolarHBondContact O-NH1 2.83Å; R539-R546 PolarHBondContact O-NH2 2.93Å; N542-R546 WeakPolarHBondContact O-CG 3.32Å; N542-R546 PolarHBondContact O-N 2.8Å; N542-R546 PolarHBondContact OD1-NE 2.84Å; A543-R546 PolarHBondContact O-N 2.88Å; D544-R546 VanDerWaalsContact C-N 3.28Å; D544-R546 PolarHBondContact O-N 3.1Å
547	L	97.4	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-115.5	-26.2	-162.7	-60.8	-177.9	0	0	0	115	E151 A154 L155 L502 A543 M549 K550 G551	E151-L547 HydrophobicContact CB-CD1 3.62Å; E151-L547 HydrophobicContact CG-CD1 3.64Å; A154-L547 HydrophobicContact CB-CB 4.01Å; L155-L547 HydrophobicContact CD1-CD1 4.44Å; L155-L547 HydrophobicContact CD2-CB 3.95Å; L155-L547 HydrophobicContact CG-CB 4.16Å; L155-L547 HydrophobicContact CG-CD1 4.4Å; L502-L547 HydrophobicContact CD1-CD2 3.81Å; A543-L547 WeakPolarHBondContact O-CB 3.31Å; A543-L547 PolarHBondContact O-N 3.49Å; L547-M549 PolarHBondContact O-N 3.48Å; L547-K550 PolarHBondContact O-N 3.49Å; L547-G551 PolarHBondContact O-N 3.17Å
548	T	97.8	Very high	95.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-42	-172	-47.9	0	0	0	0	112.2	A154 D544 G551 F552 V557 R561 A565	A154-T548 WeakPolarHBondContact O-CA 3.46Å; A154-T548 PolarHBondContact O-OG1 3.38Å; D544-T548 VanDerWaalsContact CA-OG1 3.28Å; D544-T548 WeakPolarHBondContact CA-OG1 3.16Å; D544-T548 WeakPolarHBondContact O-CB 3.4Å; D544-T548 PolarHBondContact O-N 2.96Å; D544-T548 PolarHBondContact O-OG1 2.87Å; T548-G551 PolarHBondContact O-N 3.03Å; T548-F552 PolarHBondContact O-N 2.99Å; T548-V557 HydrophobicContact CG2-CG1 3.77Å; T548-V557 HydrophobicContact CG2-CG2 4.47Å; T548-R561 HydrophobicContact CG2-CG 3.97Å; T548-A565 HydrophobicContact CG2-CB 3.61Å
549	M	96.7	Very high	95.7	Very high	39 Å²	39	30.6 Å²	30.6	19%	0.192	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-48	179.4	-54.7	-56.8	-70.9	0	0	110.9	L547 G551 F552 E553 H562 V566	L547-M549 PolarHBondContact O-N 3.48Å; M549-G551 VanDerWaalsContact C-N 3.33Å; M549-G551 PolarHBondContact O-N 3.37Å; M549-F552 WeakPolarHBondContact O-CB 3.15Å; M549-F552 PolarHBondContact O-N 3.15Å; M549-E553 PolarHBondContact O-N 3.2Å; M549-E553 VanDerWaalsContact O-N 3.09Å; M549-H562 WeakPolarHBondContact CE-NE2 3.35Å; M549-V566 HydrophobicContact CE-CG2 3.7Å; M549-V566 HydrophobicContact SD-CG2 3.86Å
550	K	95.7	Very high	95.8	Very high	51 Å²	51	35.7 Å²	35.7	22%	0.222	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-41.3	175.5	-176.6	168.7	178.4	166.1	0	111.5	A501 E506 L547 F552 E553 L554	A501-K550 WeakPolarHBondContact O-CE 3.29Å; A501-K550 PolarHBondContact O-NZ 2.96Å; E506-K550 IonicContact OE1-NZ 2.86Å; E506-K550 IonicContact OE2-NZ 3.79Å; E506-K550 PolarHBondContact OE2-NZ 3.28Å; L547-K550 PolarHBondContact O-N 3.49Å; K550-F552 VanDerWaalsContact C-N 3.28Å; K550-F552 PolarHBondContact O-N 2.91Å; K550-E553 PolarHBondContact O-N 2.97Å; K550-L554 HydrophobicContact CG-CD1 4.24Å; K550-L554 VanDerWaalsContact O-CG 3.23Å; K550-L554 WeakPolarHBondContact O-CG 3.44Å; K550-L554 PolarHBondContact O-N 3.34Å
551	G	96.4	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-33.4	176.5	0	0	0	0	0	113.3	L547 T548 M549 L554 G555 C556 V557	L547-G551 PolarHBondContact O-N 3.17Å; T548-G551 PolarHBondContact O-N 3.03Å; M549-G551 VanDerWaalsContact C-N 3.33Å; M549-G551 PolarHBondContact O-N 3.37Å; G551-L554 PolarHBondContact O-N 3.07Å; G551-G555 PolarHBondContact O-N 3.32Å; G551-C556 VanDerWaalsContact CA-SG 3.53Å; G551-C556 PolarHBondContact O-N 3.48Å; G551-C556 PolarHBondContact O-SG 3.24Å; G551-V557 PolarHBondContact O-N 2.95Å
552	F	97.2	Very high	96.1	Very high	84 Å²	84	36.5 Å²	36.5	37%	0.368	20%	0.2	S	C	.	.	H	α-helix	trans	-70.2	-44	174.8	-173.4	-103.6	0	0	0	111.6	T548 M549 K550 L554 G555 V557 H562	T548-F552 PolarHBondContact O-N 2.99Å; M549-F552 WeakPolarHBondContact O-CB 3.15Å; M549-F552 PolarHBondContact O-N 3.15Å; K550-F552 VanDerWaalsContact C-N 3.28Å; K550-F552 PolarHBondContact O-N 2.91Å; F552-L554 PolarHBondContact O-N 3.34Å; F552-G555 PolarHBondContact O-N 2.81Å; F552-V557 HydrophobicContact CB-CB 4.21Å; F552-V557 HydrophobicContact CB-CG1 4.44Å; F552-V557 WeakPolarHBondContact CD2-O 3.37Å; F552-H562 HydrophobicContact CB-CB 4.28Å; F552-H562 AromaticContact CD1-CD2 3.63Å; F552-H562 AromaticContact CD1-CG 3.91Å; F552-H562 AromaticContact CD1-NE2 3.74Å; F552-H562 HydrophobicContact CD2-CB 3.55Å; F552-H562 AromaticContact CD2-CG 3.71Å; F552-H562 HydrophobicContact CE2-CB 4Å; F552-H562 HydrophobicContact CG-CB 3.91Å; F552-H562 AromaticContact CG-CD2 3.45Å; F552-H562 VanDerWaalsContact CG-CD2 3.45Å; F552-H562 WeakPolarHBondContact CG-CD2 3.19Å; F552-H562 AromaticContact CG-CG 3.61Å
553	E	95.5	Very high	96.2	Very high	156 Å²	156	41.9 Å²	41.9	73%	0.729	23%	0.225	S	C	*	.	H	α-helix	trans	-59.5	-34.9	172.8	-67.7	169.8	-172.9	0	0	112.4	M549 K550 G555	M549-E553 PolarHBondContact O-N 3.2Å; M549-E553 VanDerWaalsContact O-N 3.09Å; K550-E553 PolarHBondContact O-N 2.97Å; E553-G555 VanDerWaalsContact C-N 3.28Å; E553-G555 PolarHBondContact O-N 3.42Å
554	L	94.9	Very high	96.2	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.11	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.5	176.2	-66.9	175.9	0	0	0	113.9	W485 R492 A500 K550 G551 F552	W485-L554 HydrophobicContact CH2-CD1 4.22Å; W485-L554 HydrophobicContact CZ3-CD1 4.09Å; R492-L554 PolarHBondContact NH1-O 3.4Å; R492-L554 VanDerWaalsContact NH1-O 3.09Å; A500-L554 HydrophobicContact CB-CD1 3.78Å; A500-L554 HydrophobicContact CB-CD2 3.61Å; A500-L554 HydrophobicContact CB-CG 4.32Å; K550-L554 HydrophobicContact CG-CD1 4.24Å; K550-L554 VanDerWaalsContact O-CG 3.23Å; K550-L554 WeakPolarHBondContact O-CG 3.44Å; K550-L554 PolarHBondContact O-N 3.34Å; G551-L554 PolarHBondContact O-N 3.07Å; F552-L554 PolarHBondContact O-N 3.34Å
555	G	94.4	Very high	96.2	Very high	33 Å²	33	44.7 Å²	44.7	34%	0.34	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	5.4	-179.1	0	0	0	0	0	115.2	R116 V117 G551 F552 E553	R116-G555 CarbonylContact C-O 3.55Å; V117-G555 WeakPolarHBondContact CA-O 3.29Å; G551-G555 PolarHBondContact O-N 3.32Å; F552-G555 PolarHBondContact O-N 2.81Å; E553-G555 VanDerWaalsContact C-N 3.28Å; E553-G555 PolarHBondContact O-N 3.42Å
556	C	94.7	Very high	96.3	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.237	C	C	.	.			trans	-90.6	-19.8	-177.5	68.2	0	0	0	0	113.7	R116 V117 V488 G551	R116-C556 PolarHBondContact NH1-O 2.88Å; V117-C556 HydrophobicContact CG2-CB 3.95Å; V488-C556 HydrophobicContact CG2-CB 3.58Å; G551-C556 VanDerWaalsContact CA-SG 3.53Å; G551-C556 PolarHBondContact O-N 3.48Å; G551-C556 PolarHBondContact O-SG 3.24Å
557	V	97.3	Very high	96.3	Very high	9 Å²	9	46 Å²	46	6%	0.055	24%	0.244	C	C	.	.	S	Bend	trans	-95.7	134.3	179.9	170.7	0	0	0	0	111	D156 T548 G551 F552 R561 H562	D156-V557 HydrophobicContact CB-CB 4.32Å; D156-V557 HydrophobicContact CB-CG1 4.38Å; D156-V557 HydrophobicContact CB-CG2 4.06Å; T548-V557 HydrophobicContact CG2-CG1 3.77Å; T548-V557 HydrophobicContact CG2-CG2 4.47Å; G551-V557 PolarHBondContact O-N 2.95Å; F552-V557 HydrophobicContact CB-CB 4.21Å; F552-V557 HydrophobicContact CB-CG1 4.44Å; F552-V557 WeakPolarHBondContact CD2-O 3.37Å; V557-R561 HydrophobicContact CG1-CB 4.08Å; V557-R561 HydrophobicContact CG1-CG 4.2Å; V557-H562 HydrophobicContact CG1-CB 4.29Å
558	S	95.8	Very high	96.2	Very high	49 Å²	49	46.4 Å²	46.4	34%	0.343	25%	0.247	S	C	.	.			trans	-67.1	153.1	174.8	62.3	0	0	0	0	112.9	D156 V560 R561 H562	D156-S558 WeakPolarHBondContact OD2-CB 3.41Å; D156-S558 PolarHBondContact OD2-N 3.15Å; D156-S558 PolarHBondContact OD2-OG 2.94Å; S558-V560 VanDerWaalsContact C-N 3.28Å; S558-V560 PolarHBondContact O-N 3.43Å; S558-R561 PolarHBondContact O-N 2.7Å; S558-H562 PolarHBondContact O-N 3.45Å
559	A	96.1	Very high	96.1	Very high	52 Å²	52	50.6 Å²	50.6	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-56.9	-42.1	176.4	0	0	0	0	0	111.8	R561 H562 H563	A559-R561 PolarHBondContact O-N 2.94Å; A559-H562 PolarHBondContact O-N 3.29Å; A559-H563 PolarHBondContact O-N 2.98Å; A559-H563 PolarHBondContact O-ND1 2.97Å
560	V	95.7	Very high	96.1	Very high	107 Å²	107	51.1 Å²	51.1	65%	0.648	27%	0.27	S	S	*	.	H	α-helix	trans	-57.3	-50	-178.8	178.8	0	0	0	0	111.3	M330 S558 H562 H563 E564	M330-V560 HydrophobicContact CE-CG1 4.04Å; S558-V560 VanDerWaalsContact C-N 3.28Å; S558-V560 PolarHBondContact O-N 3.43Å; V560-H562 PolarHBondContact O-N 3.31Å; V560-H563 PolarHBondContact O-N 3.45Å; V560-E564 PolarHBondContact O-N 3.43Å
561	R	96.3	Very high	96.2	Very high	6 Å²	6	50 Å²	50	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-39.7	178.2	-178.8	178.2	-67.4	-99.4	11.1	112.4	D153 D156 M330 T548 V557 S558 A559 H563 E564 A565	D153-R561 VanDerWaalsContact CG-NH1 3.26Å; D153-R561 PolarHBondContact O-NE 3.34Å; D153-R561 PolarHBondContact O-NH1 3.1Å; D153-R561 IonicContact OD1-CZ 2.83Å; D153-R561 IonicContact OD1-NH1 3.19Å; D153-R561 PolarHBondContact OD1-NH1 2.95Å; D153-R561 IonicContact OD1-NH2 3.18Å; D153-R561 PolarHBondContact OD1-NH2 3.03Å; D153-R561 IonicContact OD2-CZ 3.43Å; D153-R561 IonicContact OD2-NH1 2.66Å; D153-R561 PolarHBondContact OD2-NH1 3.33Å; D153-R561 IonicContact OD2-NH2 3.25Å; D156-R561 IonicContact OD1-CZ 2.86Å; D156-R561 IonicContact OD1-NE 2.63Å; D156-R561 PolarHBondContact OD1-NE 2.87Å; D156-R561 IonicContact OD1-NH2 2.97Å; D156-R561 PolarHBondContact OD1-NH2 3.18Å; M330-R561 HydrophobicContact SD-CB 4.03Å; M330-R561 HydrophobicContact SD-CG 3.9Å; T548-R561 HydrophobicContact CG2-CG 3.97Å; V557-R561 HydrophobicContact CG1-CB 4.08Å; V557-R561 HydrophobicContact CG1-CG 4.2Å; S558-R561 PolarHBondContact O-N 2.7Å; A559-R561 PolarHBondContact O-N 2.94Å; R561-H563 PolarHBondContact O-N 3.43Å; R561-E564 PolarHBondContact O-N 3.44Å; R561-A565 PolarHBondContact O-N 3.39Å
562	H	97.3	Very high	96.1	Very high	32 Å²	32	50.4 Å²	50.4	15%	0.148	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-45.7	177	173.8	-96.5	0	0	0	111.9	M549 F552 V557 S558 A559 V560 E564 A565 V566	M549-H562 WeakPolarHBondContact CE-NE2 3.35Å; F552-H562 HydrophobicContact CB-CB 4.28Å; F552-H562 AromaticContact CD1-CD2 3.63Å; F552-H562 AromaticContact CD1-CG 3.91Å; F552-H562 AromaticContact CD1-NE2 3.74Å; F552-H562 HydrophobicContact CD2-CB 3.55Å; F552-H562 AromaticContact CD2-CG 3.71Å; F552-H562 HydrophobicContact CE2-CB 4Å; F552-H562 HydrophobicContact CG-CB 3.91Å; F552-H562 AromaticContact CG-CD2 3.45Å; F552-H562 VanDerWaalsContact CG-CD2 3.45Å; F552-H562 WeakPolarHBondContact CG-CD2 3.19Å; F552-H562 AromaticContact CG-CG 3.61Å; V557-H562 HydrophobicContact CG1-CB 4.29Å; S558-H562 PolarHBondContact O-N 3.45Å; A559-H562 PolarHBondContact O-N 3.29Å; V560-H562 PolarHBondContact O-N 3.31Å; H562-E564 VanDerWaalsContact C-N 3.31Å; H562-E564 PolarHBondContact O-N 3.36Å; H562-A565 PolarHBondContact O-N 2.98Å; H562-V566 WeakPolarHBondContact O-CG2 3.49Å; H562-V566 PolarHBondContact O-N 3.36Å
563	H	97.3	Very high	96.1	Very high	128 Å²	128	51.6 Å²	51.6	59%	0.593	28%	0.277	S	S	*	.	H	α-helix	trans	-60.5	-41.6	177.5	-70.9	97.1	0	0	0	112	A559 V560 R561 V566 R567	A559-H563 PolarHBondContact O-N 2.98Å; A559-H563 PolarHBondContact O-ND1 2.97Å; V560-H563 PolarHBondContact O-N 3.45Å; R561-H563 PolarHBondContact O-N 3.43Å; H563-V566 PolarHBondContact O-N 3.46Å; H563-R567 PolarHBondContact O-N 2.92Å
564	E	96.1	Very high	96.1	Very high	58 Å²	58	48.4 Å²	48.4	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-43.6	177.1	-177.8	54.6	-159	0	0	112	M330 V560 R561 H562 V566 R567 V568	M330-E564 HydrophobicContact CE-CB 4.17Å; M330-E564 HydrophobicContact CE-CG 4.36Å; M330-E564 HydrophobicContact SD-CB 4.1Å; M330-E564 HydrophobicContact SD-CG 4.11Å; V560-E564 PolarHBondContact O-N 3.43Å; R561-E564 PolarHBondContact O-N 3.44Å; H562-E564 VanDerWaalsContact C-N 3.31Å; H562-E564 PolarHBondContact O-N 3.36Å; E564-V566 VanDerWaalsContact C-N 3.29Å; E564-V566 PolarHBondContact O-N 2.99Å; E564-R567 WeakPolarHBondContact O-CB 3.28Å; E564-R567 PolarHBondContact O-N 3.47Å; E564-R567 IonicContact OE1-CZ 3.73Å; E564-R567 VanDerWaalsContact OE1-CZ 3.25Å; E564-R567 IonicContact OE1-NE 3.53Å; E564-R567 PolarHBondContact OE1-NE 2.92Å; E564-R567 IonicContact OE1-NH2 3.46Å; E564-R567 PolarHBondContact OE1-NH2 3.34Å; E564-R567 IonicContact OE2-CZ 3.4Å; E564-R567 IonicContact OE2-NE 3.57Å; E564-R567 PolarHBondContact OE2-NE 3.42Å; E564-V568 WeakPolarHBondContact O-CG2 3.47Å; E564-V568 PolarHBondContact O-N 3.31Å
565	A	96.6	Very high	96.1	Very high	7 Å²	7	47.4 Å²	47.4	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-36.1	175.2	0	0	0	0	0	112.5	T548 R561 H562 R569	T548-A565 HydrophobicContact CG2-CB 3.61Å; R561-A565 PolarHBondContact O-N 3.39Å; H562-A565 PolarHBondContact O-N 2.98Å; A565-R569 VanDerWaalsContact O-CB 3.23Å; A565-R569 WeakPolarHBondContact O-CB 3.45Å; A565-R569 PolarHBondContact O-N 3.32Å
566	V	97.3	Very high	96.2	Very high	40 Å²	40	47.8 Å²	47.8	24%	0.242	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-45.7	173.4	171.7	0	0	0	0	111	M549 H562 H563 E564 V568 R569 C570	M549-V566 HydrophobicContact CE-CG2 3.7Å; M549-V566 HydrophobicContact SD-CG2 3.86Å; H562-V566 WeakPolarHBondContact O-CG2 3.49Å; H562-V566 PolarHBondContact O-N 3.36Å; H563-V566 PolarHBondContact O-N 3.46Å; E564-V566 VanDerWaalsContact C-N 3.29Å; E564-V566 PolarHBondContact O-N 2.99Å; V566-V568 PolarHBondContact O-N 2.97Å; V566-R569 PolarHBondContact O-N 3.04Å; V566-C570 WeakPolarHBondContact O-CB 3.45Å; V566-C570 PolarHBondContact O-N 3.31Å; V566-C570 PolarHBondContact O-SG 3.45Å; V566-C570 VanDerWaalsContact O-SG 3.38Å
567	R	96.1	Very high	96.2	Very high	92 Å²	92	50.2 Å²	50.2	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-54.7	-51.5	175.2	-177.5	-163	74.5	93.4	-3.3	110.8	H563 E564 C570 S571 E635	H563-R567 PolarHBondContact O-N 2.92Å; E564-R567 WeakPolarHBondContact O-CB 3.28Å; E564-R567 PolarHBondContact O-N 3.47Å; E564-R567 IonicContact OE1-CZ 3.73Å; E564-R567 VanDerWaalsContact OE1-CZ 3.25Å; E564-R567 IonicContact OE1-NE 3.53Å; E564-R567 PolarHBondContact OE1-NE 2.92Å; E564-R567 IonicContact OE1-NH2 3.46Å; E564-R567 PolarHBondContact OE1-NH2 3.34Å; E564-R567 IonicContact OE2-CZ 3.4Å; E564-R567 IonicContact OE2-NE 3.57Å; E564-R567 PolarHBondContact OE2-NE 3.42Å; R567-C570 PolarHBondContact O-N 3.13Å; R567-S571 VanDerWaalsContact O-CB 3.31Å; R567-S571 WeakPolarHBondContact O-CB 3.38Å; R567-S571 PolarHBondContact O-N 2.84Å; R567-S571 PolarHBondContact O-OG 3.4Å; R567-E635 IonicContact CZ-OE1 2.88Å; R567-E635 IonicContact CZ-OE2 2.66Å; R567-E635 IonicContact NH1-OE1 3.58Å; R567-E635 IonicContact NH1-OE2 2.85Å; R567-E635 PolarHBondContact NH1-OE2 3.4Å; R567-E635 IonicContact NH2-OE1 3.36Å; R567-E635 PolarHBondContact NH2-OE1 3.31Å; R567-E635 IonicContact NH2-OE2 2.77Å; R567-E635 PolarHBondContact NH2-OE2 2.73Å
568	V	95.6	Very high	96.1	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-47.7	-179.5	169.3	0	0	0	0	110.7	L545 E564 V566 S571 L572 F636	L545-V568 HydrophobicContact CD2-CG1 4.42Å; E564-V568 WeakPolarHBondContact O-CG2 3.47Å; E564-V568 PolarHBondContact O-N 3.31Å; V566-V568 PolarHBondContact O-N 2.97Å; V568-S571 PolarHBondContact O-N 2.69Å; V568-L572 HydrophobicContact CG1-CD1 3.78Å; V568-L572 HydrophobicContact CG1-CG 4.46Å; V568-L572 WeakPolarHBondContact O-CB 3.09Å; V568-L572 WeakPolarHBondContact O-CG 3.43Å; V568-L572 PolarHBondContact O-N 2.78Å; V568-F636 HydrophobicContact CB-CE1 4.31Å; V568-F636 HydrophobicContact CB-CZ 4.48Å; V568-F636 HydrophobicContact CG1-CE1 3.8Å; V568-F636 HydrophobicContact CG1-CZ 4.4Å; V568-F636 HydrophobicContact CG2-CE1 4.11Å; V568-F636 HydrophobicContact CG2-CZ 4.24Å
569	R	95.9	Very high	96.1	Very high	89 Å²	89	48.5 Å²	48.5	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-49	179.1	-176.5	179.9	65.8	155	1.6	112.1	L545 A565 V566 S571 L572 Q573	L545-R569 HydrophobicContact CD2-CB 3.77Å; L545-R569 HydrophobicContact CD2-CG 4.18Å; A565-R569 VanDerWaalsContact O-CB 3.23Å; A565-R569 WeakPolarHBondContact O-CB 3.45Å; A565-R569 PolarHBondContact O-N 3.32Å; V566-R569 PolarHBondContact O-N 3.04Å; R569-S571 VanDerWaalsContact C-N 3.35Å; R569-L572 PolarHBondContact O-N 2.86Å; R569-Q573 WeakPolarHBondContact O-CB 3.39Å; R569-Q573 VanDerWaalsContact O-CG 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 3.38Å; R569-Q573 PolarHBondContact O-N 2.76Å
570	C	96.7	Very high	96	Very high	50 Å²	50	50.6 Å²	50.6	34%	0.338	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-41.3	179.6	-70.9	0	0	0	0	111.4	V566 R567 Q573 N574	V566-C570 WeakPolarHBondContact O-CB 3.45Å; V566-C570 PolarHBondContact O-N 3.31Å; V566-C570 PolarHBondContact O-SG 3.45Å; V566-C570 VanDerWaalsContact O-SG 3.38Å; R567-C570 PolarHBondContact O-N 3.13Å; C570-Q573 PolarHBondContact O-N 3.34Å; C570-N574 WeakPolarHBondContact O-CB 3.32Å; C570-N574 PolarHBondContact O-N 2.62Å; C570-N574 PolarHBondContact O-ND2 3.3Å
571	S	96.1	Very high	96	Very high	27 Å²	27	49.5 Å²	49.5	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-42.9	178.4	-56.8	0	0	0	0	112.1	R567 V568 R569 N574 A575	R567-S571 VanDerWaalsContact O-CB 3.31Å; R567-S571 WeakPolarHBondContact O-CB 3.38Å; R567-S571 PolarHBondContact O-N 2.84Å; R567-S571 PolarHBondContact O-OG 3.4Å; V568-S571 PolarHBondContact O-N 2.69Å; R569-S571 VanDerWaalsContact C-N 3.35Å; S571-N574 PolarHBondContact O-N 2.85Å; S571-A575 WeakPolarHBondContact O-CB 3.17Å; S571-A575 PolarHBondContact O-N 3.33Å
572	L	95.6	Very high	95.8	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-43.3	174.2	-78.9	169	0	0	0	112.2	L545 V568 R569 A575 I576 F636 R639 L640	L545-L572 HydrophobicContact CD1-CD1 3.82Å; L545-L572 HydrophobicContact CD2-CD1 4.34Å; V568-L572 HydrophobicContact CG1-CD1 3.78Å; V568-L572 HydrophobicContact CG1-CG 4.46Å; V568-L572 WeakPolarHBondContact O-CB 3.09Å; V568-L572 WeakPolarHBondContact O-CG 3.43Å; V568-L572 PolarHBondContact O-N 2.78Å; R569-L572 PolarHBondContact O-N 2.86Å; L572-A575 PolarHBondContact O-N 2.66Å; L572-I576 WeakPolarHBondContact O-CB 3.36Å; L572-I576 VanDerWaalsContact O-CG1 3.25Å; L572-I576 WeakPolarHBondContact O-CG1 3.31Å; L572-I576 PolarHBondContact O-N 3.06Å; L572-F636 HydrophobicContact CD2-CB 3.58Å; L572-F636 HydrophobicContact CD2-CD1 3.92Å; L572-F636 HydrophobicContact CD2-CG 3.73Å; L572-F636 HydrophobicContact CG-CB 4.46Å; L572-F636 HydrophobicContact CG-CD1 4.01Å; L572-F636 HydrophobicContact CG-CE1 4.49Å; L572-F636 HydrophobicContact CG-CG 4.08Å; L572-R639 HydrophobicContact CD2-CB 4.07Å; L572-L640 HydrophobicContact CD2-CD2 3.98Å; L572-L640 HydrophobicContact CD2-CG 4.18Å
573	Q	96	Very high	95.6	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-43.8	176.9	-75.5	174.1	-20.9	0	0	111.8	R569 C570 I576 A577	R569-Q573 WeakPolarHBondContact O-CB 3.39Å; R569-Q573 VanDerWaalsContact O-CG 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 3.38Å; R569-Q573 PolarHBondContact O-N 2.76Å; C570-Q573 PolarHBondContact O-N 3.34Å; Q573-I576 PolarHBondContact O-N 2.76Å; Q573-A577 WeakPolarHBondContact O-CB 3.45Å; Q573-A577 PolarHBondContact O-N 2.72Å
574	N	96.4	Very high	95.3	Very high	89 Å²	89	49.1 Å²	49.1	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176	-68.6	-17.3	0	0	0	111.6	C570 S571 A577 A578 Y633	C570-N574 WeakPolarHBondContact O-CB 3.32Å; C570-N574 PolarHBondContact O-N 2.62Å; C570-N574 PolarHBondContact O-ND2 3.3Å; S571-N574 PolarHBondContact O-N 2.85Å; N574-A577 PolarHBondContact O-N 2.94Å; N574-A578 WeakPolarHBondContact O-CB 3.19Å; N574-A578 PolarHBondContact O-N 3.36Å; N574-Y633 HydrophobicContact CB-CE1 4.08Å
575	A	95.8	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-42.5	176.5	0	0	0	0	0	112.4	S571 L572 A578 L579 Y633 L640	S571-A575 WeakPolarHBondContact O-CB 3.17Å; S571-A575 PolarHBondContact O-N 3.33Å; L572-A575 PolarHBondContact O-N 2.66Å; A575-A578 PolarHBondContact O-N 3.5Å; A575-L579 WeakPolarHBondContact O-CG 3.37Å; A575-L579 PolarHBondContact O-N 3.06Å; A575-Y633 HydrophobicContact CB-CD1 3.79Å; A575-Y633 HydrophobicContact CB-CD2 3.78Å; A575-Y633 HydrophobicContact CB-CE1 4.34Å; A575-Y633 HydrophobicContact CB-CE2 4.33Å; A575-Y633 HydrophobicContact CB-CG 3.47Å; A575-Y633 VanDerWaalsContact CB-CG 3.47Å; A575-L640 HydrophobicContact CB-CD1 3.75Å; A575-L640 HydrophobicContact CB-CD2 3.86Å; A575-L640 HydrophobicContact CB-CG 4.43Å
576	I	95.1	Very high	94.4	Very high	42 Å²	42	48.3 Å²	48.3	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-44.4	174.6	-69.4	166.1	0	0	0	110.2	L572 Q573 A578 L579 Q580 M609 L640	L572-I576 WeakPolarHBondContact O-CB 3.36Å; L572-I576 VanDerWaalsContact O-CG1 3.25Å; L572-I576 WeakPolarHBondContact O-CG1 3.31Å; L572-I576 PolarHBondContact O-N 3.06Å; Q573-I576 PolarHBondContact O-N 2.76Å; I576-A578 VanDerWaalsContact C-N 3.35Å; I576-A578 PolarHBondContact O-N 3.26Å; I576-L579 PolarHBondContact O-N 2.89Å; I576-Q580 HydrophobicContact CG2-CG 4.44Å; I576-Q580 WeakPolarHBondContact O-CB 3.21Å; I576-Q580 VanDerWaalsContact O-CG 3.29Å; I576-Q580 WeakPolarHBondContact O-CG 3.34Å; I576-Q580 PolarHBondContact O-N 3.31Å; I576-M609 HydrophobicContact CG1-CE 4.39Å; I576-L640 HydrophobicContact CG1-CD2 3.72Å
577	A	95.9	Very high	93.8	Very high	51 Å²	51	49.9 Å²	49.9	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-41.1	176.8	0	0	0	0	0	112	Q573 N574 Q580 A581	Q573-A577 WeakPolarHBondContact O-CB 3.45Å; Q573-A577 PolarHBondContact O-N 2.72Å; N574-A577 PolarHBondContact O-N 2.94Å; A577-Q580 PolarHBondContact O-N 3.39Å; A577-A581 WeakPolarHBondContact O-CB 3.5Å; A577-A581 PolarHBondContact O-N 3.29Å
578	A	95.4	Very high	93.4	Very high	22 Å²	22	46.8 Å²	46.8	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-44.9	174.9	0	0	0	0	0	111.8	N574 A575 I576 Q580 A581 L582 L630 Y633	N574-A578 WeakPolarHBondContact O-CB 3.19Å; N574-A578 PolarHBondContact O-N 3.36Å; A575-A578 PolarHBondContact O-N 3.5Å; I576-A578 VanDerWaalsContact C-N 3.35Å; I576-A578 PolarHBondContact O-N 3.26Å; A578-Q580 VanDerWaalsContact C-N 3.32Å; A578-Q580 PolarHBondContact O-N 3.43Å; A578-A581 PolarHBondContact O-N 2.81Å; A578-L582 WeakPolarHBondContact O-CG 3.32Å; A578-L582 PolarHBondContact O-N 3.03Å; A578-L582 VanDerWaalsContact O-N 3.15Å; A578-L630 HydrophobicContact CB-CD2 4.27Å; A578-Y633 HydrophobicContact CB-CE2 4.27Å
579	L	94.7	Very high	93	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-36.9	175.4	-75.1	166.5	0	0	0	112.6	A575 I576 L582 G608 M609 L612 F619 L622 L630 L640	A575-L579 WeakPolarHBondContact O-CG 3.37Å; A575-L579 PolarHBondContact O-N 3.06Å; I576-L579 PolarHBondContact O-N 2.89Å; L579-L582 PolarHBondContact O-N 3.17Å; L579-G608 WeakPolarHBondContact O-CA 3.48Å; L579-G608 PolarHBondContact O-N 2.97Å; L579-M609 HydrophobicContact CB-CB 4.25Å; L579-M609 HydrophobicContact CD1-SD 4.07Å; L579-L612 HydrophobicContact CD1-CD1 3.64Å; L579-L612 HydrophobicContact CD2-CD1 4.15Å; L579-F619 HydrophobicContact CD1-CD2 4.24Å; L579-F619 HydrophobicContact CD1-CE2 4.03Å; L579-F619 HydrophobicContact CD2-CD2 4.36Å; L579-F619 HydrophobicContact CD2-CE2 4.12Å; L579-F619 HydrophobicContact CG-CE2 4.29Å; L579-L622 HydrophobicContact CD2-CD1 4Å; L579-L630 HydrophobicContact CD2-CD1 4.02Å; L579-L630 HydrophobicContact CD2-CD2 3.86Å; L579-L630 HydrophobicContact CG-CD2 4.03Å; L579-L640 HydrophobicContact CD1-CB 4.48Å; L579-L640 HydrophobicContact CD1-CD1 4.39Å; L579-L640 HydrophobicContact CD1-CD2 4.3Å
580	Q	94.4	Very high	92.5	Very high	97 Å²	97	46.5 Å²	46.5	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-70.6	-37.9	176.2	-73.9	173.4	-20.1	0	0	112.3	I576 A577 A578 L582 T583 M609	I576-Q580 HydrophobicContact CG2-CG 4.44Å; I576-Q580 WeakPolarHBondContact O-CB 3.21Å; I576-Q580 VanDerWaalsContact O-CG 3.29Å; I576-Q580 WeakPolarHBondContact O-CG 3.34Å; I576-Q580 PolarHBondContact O-N 3.31Å; A577-Q580 PolarHBondContact O-N 3.39Å; A578-Q580 VanDerWaalsContact C-N 3.32Å; A578-Q580 PolarHBondContact O-N 3.43Å; Q580-L582 VanDerWaalsContact C-N 3.25Å; Q580-L582 PolarHBondContact O-N 3.31Å; Q580-T583 PolarHBondContact O-OG1 2.92Å; Q580-M609 HydrophobicContact CG-CB 4.32Å
581	A	94.7	Very high	92	Very high	83 Å²	83	52.7 Å²	52.7	69%	0.686	29%	0.293	S	S	*	.	H	α-helix	trans	-65.4	-29.5	176.1	0	0	0	0	0	112.5	A577 A578 T583	A577-A581 WeakPolarHBondContact O-CB 3.5Å; A577-A581 PolarHBondContact O-N 3.29Å; A578-A581 PolarHBondContact O-N 2.81Å; A581-T583 PolarHBondContact O-N 3.09Å
582	L	93.1	Very high	91.6	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.136	30%	0.302	C	S	.	.			trans	-73.2	75.3	171.7	-66.4	174.6	0	0	0	110.7	A578 L579 Q580 W589 S607 G608 F626 L630	A578-L582 WeakPolarHBondContact O-CG 3.32Å; A578-L582 PolarHBondContact O-N 3.03Å; A578-L582 VanDerWaalsContact O-N 3.15Å; L579-L582 PolarHBondContact O-N 3.17Å; Q580-L582 VanDerWaalsContact C-N 3.25Å; Q580-L582 PolarHBondContact O-N 3.31Å; L582-W589 HydrophobicContact CB-CZ2 4.47Å; L582-S607 CarbonylContact O-C 3.38Å; L582-S607 VanDerWaalsContact O-CA 3.28Å; L582-S607 WeakPolarHBondContact O-CA 3.43Å; L582-G608 PolarHBondContact O-N 3.19Å; L582-F626 HydrophobicContact CD1-CB 4.23Å; L582-F626 HydrophobicContact CD1-CD2 4.33Å; L582-F626 HydrophobicContact CD1-CG 4.17Å; L582-F626 HydrophobicContact CD2-CD1 3.83Å; L582-F626 HydrophobicContact CD2-CE1 4.04Å; L582-F626 HydrophobicContact CD2-CG 4.19Å; L582-L630 HydrophobicContact CD1-CD1 3.82Å; L582-L630 HydrophobicContact CD1-CD2 4.13Å; L582-L630 HydrophobicContact CD1-CG 4.03Å
583	T	93.5	Very high	91.1	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.46	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125	176.9	-65	0	0	0	0	110.6	Q580 A581	Q580-T583 PolarHBondContact O-OG1 2.92Å; A581-T583 PolarHBondContact O-N 3.09Å
584	M	90.4	Very high	90.2	Very high	58 Å²	58	56.1 Å²	56.1	29%	0.286	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	168	177.9	-49.5	-171.1	86.5	0	0	111.4	S588 W589 K592 L606 F626	M584-S588 WeakPolarHBondContact CE-OG 3.45Å; M584-S588 PolarHBondContact SD-OG 2.99Å; M584-W589 HydrophobicContact CG-CZ2 4.43Å; M584-K592 HydrophobicContact SD-CD 4.4Å; M584-L606 PolarHBondContact N-O 3.19Å; M584-L606 VanDerWaalsContact N-O 3.1Å; M584-L606 PolarHBondContact O-N 2.97Å; M584-F626 HydrophobicContact SD-CZ 4.08Å
585	S	89.6	Confident	89.1	Confident	43 Å²	43	55.9 Å²	55.9	30%	0.301	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	151.3	171	65.7	0	0	0	0	111.5	T587 S588 W589	S585-T587 PolarHBondContact O-N 3.28Å; S585-T587 VanDerWaalsContact O-N 3.14Å; S585-T587 PolarHBondContact OG-OG1 3.39Å; S585-S588 WeakPolarHBondContact O-CB 3.47Å; S585-S588 PolarHBondContact O-N 3.34Å; S585-S588 PolarHBondContact OG-N 2.97Å; S585-W589 PolarHBondContact O-N 3.37Å; S585-W589 VanDerWaalsContact O-N 3.11Å
586	S	85.1	Confident	88.3	Confident	5 Å²	5	57 Å²	57	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-52.6	-34.4	173.3	60.6	0	0	0	0	113	R590 N601 Q604	S586-R590 WeakPolarHBondContact O-CG 3.45Å; S586-R590 PolarHBondContact O-N 3.31Å; S586-R590 VanDerWaalsContact O-N 3.12Å; S586-N601 PolarHBondContact OG-O 3.13Å; S586-Q604 PolarHBondContact N-O 3.4Å
587	T	84.6	Confident	87.1	Confident	73 Å²	73	59.8 Å²	59.8	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-67	-40.1	176.2	52.2	0	0	0	0	113.3	S585 K591	S585-T587 PolarHBondContact O-N 3.28Å; S585-T587 VanDerWaalsContact O-N 3.14Å; S585-T587 PolarHBondContact OG-OG1 3.39Å; T587-K591 WeakPolarHBondContact O-CG 3.14Å; T587-K591 PolarHBondContact O-N 2.71Å
588	S	86.5	Confident	86	Confident	26 Å²	26	58 Å²	58	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-42	176.7	-177.3	0	0	0	0	111.2	M584 S585 R590 K591 K592	M584-S588 WeakPolarHBondContact CE-OG 3.45Å; M584-S588 PolarHBondContact SD-OG 2.99Å; S585-S588 WeakPolarHBondContact O-CB 3.47Å; S585-S588 PolarHBondContact O-N 3.34Å; S585-S588 PolarHBondContact OG-N 2.97Å; S588-R590 PolarHBondContact O-N 3.11Å; S588-K591 PolarHBondContact O-N 3.29Å; S588-K592 PolarHBondContact O-N 2.74Å; S588-K592 VanDerWaalsContact O-N 3.16Å
589	W	88.2	Confident	84.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-43.1	176.6	-78.6	125.1	0	0	0	112.6	L582 M584 S585 K591 K592 L593 M598 L606 L611 L622 F626	L582-W589 HydrophobicContact CB-CZ2 4.47Å; M584-W589 HydrophobicContact CG-CZ2 4.43Å; S585-W589 PolarHBondContact O-N 3.37Å; S585-W589 VanDerWaalsContact O-N 3.11Å; W589-K591 VanDerWaalsContact C-N 3.32Å; W589-K591 PolarHBondContact O-N 3.29Å; W589-K592 PolarHBondContact O-N 3.45Å; W589-L593 HydrophobicContact CE3-CD1 4.01Å; W589-L593 HydrophobicContact CZ3-CD1 4.22Å; W589-L593 PolarHBondContact O-N 3.49Å; W589-M598 HydrophobicContact CB-CE 3.88Å; W589-M598 HydrophobicContact CB-SD 4.19Å; W589-L606 PolarHBondContact NE1-O 3.23Å; W589-L611 HydrophobicContact CB-CD1 4.25Å; W589-L611 HydrophobicContact CD2-CD1 3.19Å; W589-L611 HydrophobicContact CD2-CG 4.29Å; W589-L611 VanDerWaalsContact CE2-CD1 3.45Å; W589-L611 HydrophobicContact CE3-CD1 3.25Å; W589-L611 HydrophobicContact CG-CD1 3.65Å; W589-L611 HydrophobicContact CG-CG 4.46Å; W589-L611 HydrophobicContact CH2-CD1 3.85Å; W589-L611 HydrophobicContact CZ2-CD1 3.8Å; W589-L611 HydrophobicContact CZ3-CD1 3.55Å; W589-L622 HydrophobicContact CH2-CD2 4.2Å; W589-L622 HydrophobicContact CZ3-CD2 3.81Å; W589-F626 HydrophobicContact CE3-CE2 4.44Å; W589-F626 HydrophobicContact CH2-CD2 4.41Å; W589-F626 AromaticContact CH2-CE2 3.63Å; W589-F626 HydrophobicContact CH2-CE2 3.63Å; W589-F626 HydrophobicContact CH2-CZ 4.14Å; W589-F626 HydrophobicContact CZ3-CD2 4.37Å; W589-F626 AromaticContact CZ3-CE2 3.45Å; W589-F626 HydrophobicContact CZ3-CE2 3.45Å; W589-F626 VanDerWaalsContact CZ3-CE2 3.45Å; W589-F626 HydrophobicContact CZ3-CZ 4.12Å
590	R	84.8	Confident	82.9	Confident	92 Å²	92	67 Å²	67	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-36.8	176.4	-74.9	179.4	-169.2	-155.3	-0.5	113.1	S586 S588 K592 L593 M598 S599 E600	S586-R590 WeakPolarHBondContact O-CG 3.45Å; S586-R590 PolarHBondContact O-N 3.31Å; S586-R590 VanDerWaalsContact O-N 3.12Å; S588-R590 PolarHBondContact O-N 3.11Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-L593 CarbonylContact O-C 3.36Å; R590-M598 HydrophobicContact CB-CE 4.22Å; R590-M598 HydrophobicContact CG-CE 3.45Å; R590-M598 VanDerWaalsContact CG-CE 3.45Å; R590-M598 PolarHBondContact NH2-O 3.01Å; R590-S599 VanDerWaalsContact NH2-C 3.29Å; R590-S599 PolarHBondContact NH2-O 2.78Å; R590-E600 VanDerWaalsContact NH2-CA 3.34Å
591	K	86.5	Confident	81.4	Confident	180 Å²	180	67.1 Å²	67.1	78%	0.783	39%	0.394	S	S	*	.	H	α-helix	trans	-64.9	-39.6	176.8	-72.6	179.2	-179.5	-176.3	0	111.5	T587 S588 W589	T587-K591 WeakPolarHBondContact O-CG 3.14Å; T587-K591 PolarHBondContact O-N 2.71Å; S588-K591 PolarHBondContact O-N 3.29Å; W589-K591 VanDerWaalsContact C-N 3.32Å; W589-K591 PolarHBondContact O-N 3.29Å
592	K	86.7	Confident	79.6	Confident	87 Å²	87	71.4 Å²	71.4	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-81.1	-28.9	-179.1	-70.2	-169.3	170.6	-158.7	0	113.5	M584 S588 W589 R590 V625 F626	M584-K592 HydrophobicContact SD-CD 4.4Å; S588-K592 PolarHBondContact O-N 2.74Å; S588-K592 VanDerWaalsContact O-N 3.16Å; W589-K592 PolarHBondContact O-N 3.45Å; R590-K592 VanDerWaalsContact C-N 3.33Å; K592-V625 HydrophobicContact CB-CG1 3.95Å; K592-V625 HydrophobicContact CD-CG1 3.9Å; K592-V625 HydrophobicContact CG-CG1 4.37Å; K592-F626 HydrophobicContact CD-CE1 4.43Å; K592-F626 HydrophobicContact CD-CE2 4.18Å; K592-F626 HydrophobicContact CD-CZ 3.65Å; K592-F626 VanDerWaalsContact NZ-CZ 3.28Å
593	L	85.2	Confident	78.2	Confident	16 Å²	16	78 Å²	78	8%	0.084	43%	0.432	C	S	.	.	S	Bend	trans	-126.1	78.5	179.3	-65.1	163.8	0	0	0	110.1	W589 R590 I596 L611 M621 L622 V625	W589-L593 HydrophobicContact CE3-CD1 4.01Å; W589-L593 HydrophobicContact CZ3-CD1 4.22Å; W589-L593 PolarHBondContact O-N 3.49Å; R590-L593 CarbonylContact O-C 3.36Å; L593-I596 HydrophobicContact CB-CD1 3.37Å; L593-I596 HydrophobicContact CB-CG1 4.3Å; L593-I596 HydrophobicContact CD1-CD1 3.66Å; L593-I596 HydrophobicContact CD2-CD1 4.48Å; L593-I596 HydrophobicContact CG-CD1 4.02Å; L593-L611 HydrophobicContact CD1-CD1 4.33Å; L593-M621 HydrophobicContact CD2-CB 4.45Å; L593-L622 HydrophobicContact CD1-CD2 3.8Å; L593-V625 HydrophobicContact CD2-CG2 3.65Å; L593-V625 HydrophobicContact CG-CG2 4.31Å
594	P	78.2	Confident	77.6	Confident	114 Å²	114	78.5 Å²	78.5	74%	0.74	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	135.5	177.3	27	-33.2	0	0	0	110.6
595	G	73.4	Confident	77.4	Confident	84 Å²	84	80.5 Å²	80.5	87%	0.866	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-2.9	173.8	0	0	0	0	0	116.8
596	I	77.8	Confident	77.4	Confident	23 Å²	23	78.9 Å²	78.9	12%	0.118	43%	0.433	C	S	.	.			trans	-82.7	128.1	173.9	-56.8	163.4	0	0	0	110.2	L593 M598 V617	L593-I596 HydrophobicContact CB-CD1 3.37Å; L593-I596 HydrophobicContact CB-CG1 4.3Å; L593-I596 HydrophobicContact CD1-CD1 3.66Å; L593-I596 HydrophobicContact CD2-CD1 4.48Å; L593-I596 HydrophobicContact CG-CD1 4.02Å; I596-M598 VanDerWaalsContact C-N 3.27Å; I596-M598 HydrophobicContact CB-CE 4.4Å; I596-M598 HydrophobicContact CB-CG 4.32Å; I596-M598 HydrophobicContact CG2-CG 3.73Å; I596-M598 PolarHBondContact O-N 2.76Å; I596-V617 HydrophobicContact CD1-CG2 3.63Å; I596-V617 HydrophobicContact CG1-CG2 4.19Å; I596-V617 HydrophobicContact CG2-CG2 3.86Å
597	S	70.3	Confident	77.8	Confident	100 Å²	100	79.1 Å²	79.1	70%	0.699	44%	0.435	S	S	*	.			trans	-71.4	78.1	170.5	-59	0	0	0	0	111.4
598	M	72.3	Confident	78.1	Confident	13 Å²	13	75.7 Å²	75.7	6%	0.064	41%	0.414	C	S	.	.			trans	-89.7	150.3	172.7	-71.7	-170.6	-90.8	0	0	111.6	W589 R590 I596 L611 Y614	W589-M598 HydrophobicContact CB-CE 3.88Å; W589-M598 HydrophobicContact CB-SD 4.19Å; R590-M598 HydrophobicContact CB-CE 4.22Å; R590-M598 HydrophobicContact CG-CE 3.45Å; R590-M598 VanDerWaalsContact CG-CE 3.45Å; R590-M598 PolarHBondContact NH2-O 3.01Å; I596-M598 VanDerWaalsContact C-N 3.27Å; I596-M598 HydrophobicContact CB-CE 4.4Å; I596-M598 HydrophobicContact CB-CG 4.32Å; I596-M598 HydrophobicContact CG2-CG 3.73Å; I596-M598 PolarHBondContact O-N 2.76Å; M598-L611 HydrophobicContact SD-CD2 3.59Å; M598-L611 VanDerWaalsContact SD-CD2 3.59Å; M598-Y614 HydrophobicContact CG-CE1 4.38Å
599	S	66.4	Low	78.4	Confident	59 Å²	59	74.8 Å²	74.8	41%	0.413	41%	0.407	S	S	.	.			trans	-55.8	144.1	173.4	-177.3	0	0	0	0	111.8	R590 N601	R590-S599 VanDerWaalsContact NH2-C 3.29Å; R590-S599 PolarHBondContact NH2-O 2.78Å; S599-N601 PolarHBondContact O-N 2.59Å
600	E	59.8	Low	78.5	Confident	153 Å²	153	77.4 Å²	77.4	72%	0.715	42%	0.421	S	S	*	.			trans	-80.5	5.5	-174.7	-63.8	-164.6	151.5	0	0	114.9	R590 K602	R590-E600 VanDerWaalsContact NH2-CA 3.34Å; E600-K602 PolarHBondContact O-N 3.11Å
601	N	62.9	Low	78.8	Confident	100 Å²	100	73 Å²	73	54%	0.535	40%	0.404	S	S	.	.			trans	-63.8	106.6	178.6	-74.1	-14.8	0	0	0	111	S586 S599 N603	S586-N601 PolarHBondContact OG-O 3.13Å; S599-N601 PolarHBondContact O-N 2.59Å; N601-N603 PolarHBondContact O-N 3.38Å
602	K	56.8	Low	79	Confident	173 Å²	173	64.5 Å²	64.5	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.7	-174.8	-68	-177.9	-179.5	175.8	0	114.2	E600	E600-K602 PolarHBondContact O-N 3.11Å
603	N	63	Low	79.2	Confident	164 Å²	164	64 Å²	64	88%	0.877	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	8.4	-174.2	-73.5	6.1	0	0	0	114.8	N601	N601-N603 PolarHBondContact O-N 3.38Å
604	Q	81.2	Confident	79.3	Confident	86 Å²	86	66.2 Å²	66.2	40%	0.402	37%	0.374	S	S	.	.			trans	-90.8	124.7	180	-166.1	172.2	4.2	0	0	111.4	S586 L606	S586-Q604 PolarHBondContact N-O 3.4Å; Q604-L606 HydrophobicContact CG-CD2 3.95Å; Q604-L606 HydrophobicContact CG-CG 4.3Å
605	T	86.3	Confident	79.5	Confident	99 Å²	99	70.1 Å²	70.1	61%	0.607	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.5	165	48.4	0	0	0	0	109.2
606	L	89.4	Confident	80.2	Confident	9 Å²	9	70.9 Å²	70.9	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.7	179.9	-64.7	173.4	0	0	0	109.1	M584 W589 Q604 D610 L611	M584-L606 PolarHBondContact N-O 3.19Å; M584-L606 VanDerWaalsContact N-O 3.1Å; M584-L606 PolarHBondContact O-N 2.97Å; W589-L606 PolarHBondContact NE1-O 3.23Å; Q604-L606 HydrophobicContact CG-CD2 3.95Å; Q604-L606 HydrophobicContact CG-CG 4.3Å; L606-D610 HydrophobicContact CB-CB 4.44Å; L606-D610 HydrophobicContact CD2-CB 4.06Å; L606-L611 HydrophobicContact CD1-CD2 4.02Å
607	S	93.8	Very high	80.7	Confident	11 Å²	11	69.9 Å²	69.9	8%	0.077	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	163.1	167.8	71.9	0	0	0	0	111	L582 M609 D610 L611	L582-S607 CarbonylContact O-C 3.38Å; L582-S607 VanDerWaalsContact O-CA 3.28Å; L582-S607 WeakPolarHBondContact O-CA 3.43Å; S607-M609 PolarHBondContact O-N 3.48Å; S607-M609 PolarHBondContact OG-N 3.37Å; S607-D610 WeakPolarHBondContact CB-OD2 3.35Å; S607-D610 PolarHBondContact N-OD2 3.06Å; S607-D610 PolarHBondContact O-N 3.23Å; S607-D610 VanDerWaalsContact O-N 3.15Å; S607-D610 PolarHBondContact OG-N 3.01Å; S607-D610 PolarHBondContact OG-OD1 2.92Å; S607-D610 PolarHBondContact OG-OD2 3.45Å; S607-L611 PolarHBondContact O-N 3.23Å
608	G	90.9	Very high	81.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-28.5	171.1	0	0	0	0	0	112.3	L579 L582 L612	L579-G608 WeakPolarHBondContact O-CA 3.48Å; L579-G608 PolarHBondContact O-N 2.97Å; L582-G608 PolarHBondContact O-N 3.19Å; G608-L612 PolarHBondContact O-N 3.36Å
609	M	92.1	Very high	82.8	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-69.6	-42.7	174.9	-166	64.7	172.8	0	0	111.7	I576 L579 Q580 S607 L611 L612 E643 A644	I576-M609 HydrophobicContact CG1-CE 4.39Å; L579-M609 HydrophobicContact CB-CB 4.25Å; L579-M609 HydrophobicContact CD1-SD 4.07Å; Q580-M609 HydrophobicContact CG-CB 4.32Å; S607-M609 PolarHBondContact O-N 3.48Å; S607-M609 PolarHBondContact OG-N 3.37Å; M609-L611 VanDerWaalsContact C-N 3.27Å; M609-L611 PolarHBondContact O-N 3.49Å; M609-L612 WeakPolarHBondContact O-CB 3.46Å; M609-L612 PolarHBondContact O-N 3.26Å; M609-L612 VanDerWaalsContact O-N 3.16Å; M609-L612 HydrophobicContact SD-CD1 4.47Å; M609-E643 HydrophobicContact CE-CB 3.98Å; M609-A644 HydrophobicContact CE-CB 3.84Å; M609-A644 HydrophobicContact CG-CB 4.5Å; M609-A644 HydrophobicContact SD-CB 3.94Å
610	D	91.4	Very high	84	Confident	55 Å²	55	67 Å²	67	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-34	177.2	-51.5	-43.8	0	0	0	111	L606 S607 L612 E613	L606-D610 HydrophobicContact CB-CB 4.44Å; L606-D610 HydrophobicContact CD2-CB 4.06Å; S607-D610 WeakPolarHBondContact CB-OD2 3.35Å; S607-D610 PolarHBondContact N-OD2 3.06Å; S607-D610 PolarHBondContact O-N 3.23Å; S607-D610 VanDerWaalsContact O-N 3.15Å; S607-D610 PolarHBondContact OG-N 3.01Å; S607-D610 PolarHBondContact OG-OD1 2.92Å; S607-D610 PolarHBondContact OG-OD2 3.45Å; D610-L612 VanDerWaalsContact C-N 3.3Å; D610-L612 PolarHBondContact O-N 2.75Å; D610-E613 WeakPolarHBondContact O-CB 3.45Å; D610-E613 PolarHBondContact O-N 2.65Å; D610-E613 VanDerWaalsContact O-N 3.16Å
611	L	90.8	Very high	85.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-33.6	174.2	-79	-168.3	0	0	0	113.3	W589 L593 M598 L606 S607 M609 E613 Y614 V617 L622	W589-L611 HydrophobicContact CB-CD1 4.25Å; W589-L611 HydrophobicContact CD2-CD1 3.19Å; W589-L611 HydrophobicContact CD2-CG 4.29Å; W589-L611 VanDerWaalsContact CE2-CD1 3.45Å; W589-L611 HydrophobicContact CE3-CD1 3.25Å; W589-L611 HydrophobicContact CG-CD1 3.65Å; W589-L611 HydrophobicContact CG-CG 4.46Å; W589-L611 HydrophobicContact CH2-CD1 3.85Å; W589-L611 HydrophobicContact CZ2-CD1 3.8Å; W589-L611 HydrophobicContact CZ3-CD1 3.55Å; L593-L611 HydrophobicContact CD1-CD1 4.33Å; M598-L611 HydrophobicContact SD-CD2 3.59Å; M598-L611 VanDerWaalsContact SD-CD2 3.59Å; L606-L611 HydrophobicContact CD1-CD2 4.02Å; S607-L611 PolarHBondContact O-N 3.23Å; M609-L611 VanDerWaalsContact C-N 3.27Å; M609-L611 PolarHBondContact O-N 3.49Å; L611-E613 PolarHBondContact O-N 3.48Å; L611-Y614 HydrophobicContact CD2-CD2 4.28Å; L611-Y614 HydrophobicContact CD2-CE2 4.25Å; L611-Y614 WeakPolarHBondContact O-CB 3.37Å; L611-Y614 WeakPolarHBondContact O-CD2 3.28Å; L611-Y614 PolarHBondContact O-N 3.34Å; L611-Y614 VanDerWaalsContact O-N 3.14Å; L611-V617 HydrophobicContact CB-CG1 4.44Å; L611-V617 WeakPolarHBondContact O-CB 3.48Å; L611-L622 HydrophobicContact CD1-CD2 4.21Å
612	L	91.4	Very high	86.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.9	175.7	-72.9	174.5	0	0	0	113	L579 G608 M609 D610 Y614 V617 F619 L622 K641 A644	L579-L612 HydrophobicContact CD1-CD1 3.64Å; L579-L612 HydrophobicContact CD2-CD1 4.15Å; G608-L612 PolarHBondContact O-N 3.36Å; M609-L612 WeakPolarHBondContact O-CB 3.46Å; M609-L612 PolarHBondContact O-N 3.26Å; M609-L612 VanDerWaalsContact O-N 3.16Å; M609-L612 HydrophobicContact SD-CD1 4.47Å; D610-L612 VanDerWaalsContact C-N 3.3Å; D610-L612 PolarHBondContact O-N 2.75Å; L612-Y614 VanDerWaalsContact C-N 3.31Å; L612-V617 HydrophobicContact CD2-CG1 4.34Å; L612-F619 HydrophobicContact CD1-CD2 4.21Å; L612-F619 HydrophobicContact CD2-CB 4.19Å; L612-L622 HydrophobicContact CD1-CD1 4.34Å; L612-L622 HydrophobicContact CD2-CD1 3.7Å; L612-L622 HydrophobicContact CG-CD1 3.7Å; L612-K641 HydrophobicContact CB-CD 4.46Å; L612-K641 HydrophobicContact CD2-CD 4.29Å; L612-K641 WeakPolarHBondContact O-CD 3.46Å; L612-K641 WeakPolarHBondContact O-CE 3.46Å; L612-K641 PolarHBondContact O-NZ 2.83Å; L612-A644 HydrophobicContact CB-CB 3.44Å; L612-A644 VanDerWaalsContact CB-CB 3.44Å
613	E	89.9	Confident	88.7	Confident	78 Å²	78	50.6 Å²	50.6	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.9	171.4	-59.6	-171.4	-176.8	0	0	112.2	D610 L611 A644	D610-E613 WeakPolarHBondContact O-CB 3.45Å; D610-E613 PolarHBondContact O-N 2.65Å; D610-E613 VanDerWaalsContact O-N 3.16Å; L611-E613 PolarHBondContact O-N 3.48Å; E613-A644 HydrophobicContact CG-CB 4.43Å
614	Y	87.3	Confident	90.1	Very high	61 Å²	61	47.1 Å²	47.1	24%	0.239	24%	0.243	C	C	.	.	S	Bend	trans	-70	134.2	-179.4	-71.1	-95.9	0	0	0	111.4	M598 L611 L612 D616 V617 K641	M598-Y614 HydrophobicContact CG-CE1 4.38Å; L611-Y614 HydrophobicContact CD2-CD2 4.28Å; L611-Y614 HydrophobicContact CD2-CE2 4.25Å; L611-Y614 WeakPolarHBondContact O-CB 3.37Å; L611-Y614 WeakPolarHBondContact O-CD2 3.28Å; L611-Y614 PolarHBondContact O-N 3.34Å; L611-Y614 VanDerWaalsContact O-N 3.14Å; L612-Y614 VanDerWaalsContact C-N 3.31Å; Y614-D616 VanDerWaalsContact C-N 3.26Å; Y614-D616 PolarHBondContact O-N 2.84Å; Y614-V617 PolarHBondContact O-N 3.4Å; Y614-V617 VanDerWaalsContact O-N 3.17Å; Y614-K641 PolarHBondContact O-NZ 3.38Å
615	K	83.3	Confident	90.6	Very high	196 Å²	196	45 Å²	45	85%	0.852	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.2	-175.5	-71.3	-177.8	179.8	175.9	0	113.3	V617	K615-V617 VanDerWaalsContact C-N 3.28Å; K615-V617 PolarHBondContact O-N 2.63Å
616	D	86.6	Confident	90.9	Very high	101 Å²	101	41.7 Å²	41.7	54%	0.54	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.6	-174.1	-51.4	-42.6	0	0	0	113.4	Y614 M621	Y614-D616 VanDerWaalsContact C-N 3.26Å; Y614-D616 PolarHBondContact O-N 2.84Å; D616-M621 WeakPolarHBondContact O-CE 3.45Å
617	V	89.8	Confident	91	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.232	C	C	.	.			trans	-102.2	122.4	-179.5	-175.1	0	0	0	0	110.1	I596 L611 L612 Y614 K615 L622 K641	I596-V617 HydrophobicContact CD1-CG2 3.63Å; I596-V617 HydrophobicContact CG1-CG2 4.19Å; I596-V617 HydrophobicContact CG2-CG2 3.86Å; L611-V617 HydrophobicContact CB-CG1 4.44Å; L611-V617 WeakPolarHBondContact O-CB 3.48Å; L612-V617 HydrophobicContact CD2-CG1 4.34Å; Y614-V617 PolarHBondContact O-N 3.4Å; Y614-V617 VanDerWaalsContact O-N 3.17Å; K615-V617 VanDerWaalsContact C-N 3.28Å; K615-V617 PolarHBondContact O-N 2.63Å; V617-L622 HydrophobicContact CG1-CD1 4.31Å; V617-L622 HydrophobicContact CG1-CD2 4.29Å; V617-L622 HydrophobicContact CG1-CG 4.11Å; V617-K641 WeakPolarHBondContact O-CE 3.27Å; V617-K641 PolarHBondContact O-NZ 3.06Å
618	S	91.8	Very high	90.8	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	27%	0.269	C	S	.	.			trans	-105.5	160.2	172.9	70.9	0	0	0	0	110.7	E620 M621 L622	S618-E620 VanDerWaalsContact C-N 3.26Å; S618-E620 VanDerWaalsContact CB-OE2 3.3Å; S618-E620 WeakPolarHBondContact CB-OE2 3.28Å; S618-E620 PolarHBondContact O-N 3.42Å; S618-M621 PolarHBondContact O-N 3.37Å; S618-M621 WeakPolarHBondContact OG-CE 3.4Å; S618-M621 VanDerWaalsContact OG-CG 3.22Å; S618-M621 WeakPolarHBondContact OG-CG 3.34Å; S618-M621 PolarHBondContact OG-N 2.97Å; S618-M621 VanDerWaalsContact OG-N 3.12Å; S618-L622 PolarHBondContact O-N 2.85Å
619	F	93.3	Very high	90.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-34.9	175.4	178.9	-90.7	0	0	0	110.8	L579 L612 M621 L622 A623 L630 M634 L640	L579-F619 HydrophobicContact CD1-CD2 4.24Å; L579-F619 HydrophobicContact CD1-CE2 4.03Å; L579-F619 HydrophobicContact CD2-CD2 4.36Å; L579-F619 HydrophobicContact CD2-CE2 4.12Å; L579-F619 HydrophobicContact CG-CE2 4.29Å; L612-F619 HydrophobicContact CD1-CD2 4.21Å; L612-F619 HydrophobicContact CD2-CB 4.19Å; F619-M621 VanDerWaalsContact C-N 3.3Å; F619-M621 PolarHBondContact O-N 3.03Å; F619-L622 PolarHBondContact O-N 3.14Å; F619-L622 VanDerWaalsContact O-N 3.14Å; F619-A623 HydrophobicContact CE1-CB 4.23Å; F619-A623 WeakPolarHBondContact O-CB 3.44Å; F619-A623 PolarHBondContact O-N 3.13Å; F619-L630 HydrophobicContact CE2-CB 4.47Å; F619-L630 HydrophobicContact CE2-CD2 4.13Å; F619-L630 HydrophobicContact CZ-CB 3.96Å; F619-L630 HydrophobicContact CZ-CD2 4.28Å; F619-M634 HydrophobicContact CD1-SD 4.12Å; F619-M634 HydrophobicContact CE1-SD 3.99Å; F619-L640 HydrophobicContact CD2-CB 4.25Å; F619-L640 HydrophobicContact CD2-CD1 3.72Å; F619-L640 HydrophobicContact CE1-CD1 4.43Å; F619-L640 HydrophobicContact CE2-CD1 3.4Å; F619-L640 HydrophobicContact CG-CD1 4.36Å; F619-L640 HydrophobicContact CZ-CD1 3.8Å
620	E	93.2	Very high	90.8	Very high	84 Å²	84	55 Å²	55	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-39.9	176.3	-62.5	80.2	-179.8	0	0	111.5	S618 A623 S624 M634 S637	S618-E620 VanDerWaalsContact C-N 3.26Å; S618-E620 VanDerWaalsContact CB-OE2 3.3Å; S618-E620 WeakPolarHBondContact CB-OE2 3.28Å; S618-E620 PolarHBondContact O-N 3.42Å; E620-A623 PolarHBondContact O-N 3.33Å; E620-S624 PolarHBondContact O-N 2.9Å; E620-M634 HydrophobicContact CB-CE 4.38Å; E620-M634 HydrophobicContact CG-CE 3.78Å; E620-S637 WeakPolarHBondContact OE1-CB 3.39Å; E620-S637 PolarHBondContact OE1-OG 3.14Å
621	M	91.8	Very high	90.8	Very high	76 Å²	76	55.1 Å²	55.1	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-47.7	172.9	-73.9	176.2	-125.2	0	0	111.6	L593 D616 S618 F619 A623 S624 V625	L593-M621 HydrophobicContact CD2-CB 4.45Å; D616-M621 WeakPolarHBondContact O-CE 3.45Å; S618-M621 PolarHBondContact O-N 3.37Å; S618-M621 WeakPolarHBondContact OG-CE 3.4Å; S618-M621 VanDerWaalsContact OG-CG 3.22Å; S618-M621 WeakPolarHBondContact OG-CG 3.34Å; S618-M621 PolarHBondContact OG-N 2.97Å; S618-M621 VanDerWaalsContact OG-N 3.12Å; F619-M621 VanDerWaalsContact C-N 3.3Å; F619-M621 PolarHBondContact O-N 3.03Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 3.28Å; M621-S624 PolarHBondContact O-N 3.09Å; M621-S624 PolarHBondContact O-OG 2.98Å; M621-V625 PolarHBondContact O-N 3.35Å
622	L	91.8	Very high	91	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-40.4	177.9	-66.1	179	0	0	0	111.8	L579 W589 L593 L611 L612 V617 S618 F619 S624 V625 F626 L630	L579-L622 HydrophobicContact CD2-CD1 4Å; W589-L622 HydrophobicContact CH2-CD2 4.2Å; W589-L622 HydrophobicContact CZ3-CD2 3.81Å; L593-L622 HydrophobicContact CD1-CD2 3.8Å; L611-L622 HydrophobicContact CD1-CD2 4.21Å; L612-L622 HydrophobicContact CD1-CD1 4.34Å; L612-L622 HydrophobicContact CD2-CD1 3.7Å; L612-L622 HydrophobicContact CG-CD1 3.7Å; V617-L622 HydrophobicContact CG1-CD1 4.31Å; V617-L622 HydrophobicContact CG1-CD2 4.29Å; V617-L622 HydrophobicContact CG1-CG 4.11Å; S618-L622 PolarHBondContact O-N 2.85Å; F619-L622 PolarHBondContact O-N 3.14Å; F619-L622 VanDerWaalsContact O-N 3.14Å; L622-S624 VanDerWaalsContact C-N 3.31Å; L622-S624 PolarHBondContact O-N 2.97Å; L622-V625 PolarHBondContact O-N 2.89Å; L622-V625 VanDerWaalsContact O-N 3.17Å; L622-F626 PolarHBondContact O-N 3.08Å; L622-L630 HydrophobicContact CB-CD1 3.71Å
623	A	93.3	Very high	91.2	Very high	4 Å²	4	62 Å²	62	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-33.3	177	0	0	0	0	0	112.8	F619 E620 M621 V625 F626 P627 L630 M634	F619-A623 HydrophobicContact CE1-CB 4.23Å; F619-A623 WeakPolarHBondContact O-CB 3.44Å; F619-A623 PolarHBondContact O-N 3.13Å; E620-A623 PolarHBondContact O-N 3.33Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 3.28Å; A623-V625 VanDerWaalsContact C-N 3.29Å; A623-V625 PolarHBondContact O-N 2.89Å; A623-F626 CarbonylContact O-C 3.55Å; A623-P627 WeakPolarHBondContact O-CA 3.44Å; A623-P627 VanDerWaalsContact O-N 3.13Å; A623-L630 HydrophobicContact CB-CB 3.92Å; A623-M634 HydrophobicContact CB-SD 3.61Å
624	S	92.5	Very high	91.3	Very high	90 Å²	90	62.2 Å²	62.2	63%	0.629	33%	0.331	S	S	*	.	H	α-helix	trans	-66.1	-30.7	173.8	75.9	0	0	0	0	113.3	E620 M621 L622	E620-S624 PolarHBondContact O-N 2.9Å; M621-S624 PolarHBondContact O-N 3.09Å; M621-S624 PolarHBondContact O-OG 2.98Å; L622-S624 VanDerWaalsContact C-N 3.31Å; L622-S624 PolarHBondContact O-N 2.97Å
625	V	91.6	Very high	91.5	Very high	43 Å²	43	64.8 Å²	64.8	26%	0.261	35%	0.345	S	S	.	.	H	α-helix	trans	-85.6	-34.4	179.8	179.3	0	0	0	0	111.9	K592 L593 M621 L622 A623 P627	K592-V625 HydrophobicContact CB-CG1 3.95Å; K592-V625 HydrophobicContact CD-CG1 3.9Å; K592-V625 HydrophobicContact CG-CG1 4.37Å; L593-V625 HydrophobicContact CD2-CG2 3.65Å; L593-V625 HydrophobicContact CG-CG2 4.31Å; M621-V625 PolarHBondContact O-N 3.35Å; L622-V625 PolarHBondContact O-N 2.89Å; L622-V625 VanDerWaalsContact O-N 3.17Å; A623-V625 VanDerWaalsContact C-N 3.29Å; A623-V625 PolarHBondContact O-N 2.89Å; V625-P627 WeakPolarHBondContact O-CD 3.26Å
626	F	92.3	Very high	92	Very high	28 Å²	28	55.9 Å²	55.9	12%	0.123	31%	0.307	C	S	.	.	S	Bend	trans	-124.8	64	-179.4	-60.6	-87.6	0	0	0	111.3	L582 M584 W589 K592 L622 A623 E628 C629 L630	L582-F626 HydrophobicContact CD1-CB 4.23Å; L582-F626 HydrophobicContact CD1-CD2 4.33Å; L582-F626 HydrophobicContact CD1-CG 4.17Å; L582-F626 HydrophobicContact CD2-CD1 3.83Å; L582-F626 HydrophobicContact CD2-CE1 4.04Å; L582-F626 HydrophobicContact CD2-CG 4.19Å; M584-F626 HydrophobicContact SD-CZ 4.08Å; W589-F626 HydrophobicContact CE3-CE2 4.44Å; W589-F626 HydrophobicContact CH2-CD2 4.41Å; W589-F626 AromaticContact CH2-CE2 3.63Å; W589-F626 HydrophobicContact CH2-CE2 3.63Å; W589-F626 HydrophobicContact CH2-CZ 4.14Å; W589-F626 HydrophobicContact CZ3-CD2 4.37Å; W589-F626 AromaticContact CZ3-CE2 3.45Å; W589-F626 HydrophobicContact CZ3-CE2 3.45Å; W589-F626 VanDerWaalsContact CZ3-CE2 3.45Å; W589-F626 HydrophobicContact CZ3-CZ 4.12Å; K592-F626 HydrophobicContact CD-CE1 4.43Å; K592-F626 HydrophobicContact CD-CE2 4.18Å; K592-F626 HydrophobicContact CD-CZ 3.65Å; K592-F626 VanDerWaalsContact NZ-CZ 3.28Å; L622-F626 PolarHBondContact O-N 3.08Å; A623-F626 CarbonylContact O-C 3.55Å; F626-E628 VanDerWaalsContact C-N 3.31Å; F626-E628 PolarHBondContact O-N 3.1Å; F626-C629 PolarHBondContact O-N 3.15Å; F626-L630 HydrophobicContact CB-CD1 4.3Å; F626-L630 HydrophobicContact CB-CG 4.47Å; F626-L630 PolarHBondContact O-N 3.22Å; F626-L630 VanDerWaalsContact O-N 3.08Å
627	P	91.8	Very high	92.3	Very high	68 Å²	68	51.9 Å²	51.9	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-36.2	-171.9	24.3	-34.1	0	0	0	112.7	A623 V625 C629 S631	A623-P627 WeakPolarHBondContact O-CA 3.44Å; A623-P627 VanDerWaalsContact O-N 3.13Å; V625-P627 WeakPolarHBondContact O-CD 3.26Å; P627-C629 VanDerWaalsContact C-N 3.26Å; P627-C629 PolarHBondContact O-N 2.86Å; P627-S631 VanDerWaalsContact CA-OG 3.23Å; P627-S631 WeakPolarHBondContact CA-OG 3.48Å; P627-S631 WeakPolarHBondContact CB-OG 3.43Å; P627-S631 WeakPolarHBondContact O-CB 3.32Å; P627-S631 PolarHBondContact O-N 3.4Å; P627-S631 VanDerWaalsContact O-N 3.1Å; P627-S631 PolarHBondContact O-OG 3.49Å
628	E	90.1	Very high	92.4	Very high	183 Å²	183	56.4 Å²	56.4	86%	0.855	31%	0.308	S	S	*	.	H	α-helix	trans	-61.5	-34	179.9	-63.2	-178.2	177.2	0	0	112.6	F626	F626-E628 VanDerWaalsContact C-N 3.31Å; F626-E628 PolarHBondContact O-N 3.1Å
629	C	90.4	Very high	92.5	Very high	57 Å²	57	57.5 Å²	57.5	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-93.6	-33.4	-175.9	-55	0	0	0	0	113	F626 P627 Y633	F626-C629 PolarHBondContact O-N 3.15Å; P627-C629 VanDerWaalsContact C-N 3.26Å; P627-C629 PolarHBondContact O-N 2.86Å; C629-Y633 WeakPolarHBondContact O-CE2 3.4Å
630	L	92.8	Very high	92.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-115.7	-22.2	-164.5	-62.6	-178	0	0	0	114.7	A578 L579 L582 F619 L622 A623 F626 P632 Y633	A578-L630 HydrophobicContact CB-CD2 4.27Å; L579-L630 HydrophobicContact CD2-CD1 4.02Å; L579-L630 HydrophobicContact CD2-CD2 3.86Å; L579-L630 HydrophobicContact CG-CD2 4.03Å; L582-L630 HydrophobicContact CD1-CD1 3.82Å; L582-L630 HydrophobicContact CD1-CD2 4.13Å; L582-L630 HydrophobicContact CD1-CG 4.03Å; F619-L630 HydrophobicContact CE2-CB 4.47Å; F619-L630 HydrophobicContact CE2-CD2 4.13Å; F619-L630 HydrophobicContact CZ-CB 3.96Å; F619-L630 HydrophobicContact CZ-CD2 4.28Å; L622-L630 HydrophobicContact CB-CD1 3.71Å; A623-L630 HydrophobicContact CB-CB 3.92Å; F626-L630 HydrophobicContact CB-CD1 4.3Å; F626-L630 HydrophobicContact CB-CG 4.47Å; F626-L630 PolarHBondContact O-N 3.22Å; F626-L630 VanDerWaalsContact O-N 3.08Å; L630-P632 VanDerWaalsContact C-N 3.33Å; L630-Y633 PolarHBondContact O-N 2.68Å
631	S	92.2	Very high	92.7	Very high	57 Å²	57	55.6 Å²	55.6	40%	0.399	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.5	-36.7	179.5	-55.1	0	0	0	0	114.4	P627 Y633 M634	P627-S631 VanDerWaalsContact CA-OG 3.23Å; P627-S631 WeakPolarHBondContact CA-OG 3.48Å; P627-S631 WeakPolarHBondContact CB-OG 3.43Å; P627-S631 WeakPolarHBondContact O-CB 3.32Å; P627-S631 PolarHBondContact O-N 3.4Å; P627-S631 VanDerWaalsContact O-N 3.1Å; P627-S631 PolarHBondContact O-OG 3.49Å; S631-Y633 PolarHBondContact O-N 2.96Å; S631-Y633 VanDerWaalsContact O-N 3.07Å; S631-M634 VanDerWaalsContact O-CG 3.28Å; S631-M634 WeakPolarHBondContact O-CG 3.45Å; S631-M634 PolarHBondContact O-N 3.22Å
632	P	94.1	Very high	92.8	Very high	96 Å²	96	52.3 Å²	52.3	62%	0.623	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60.3	-18.7	176.9	-25.8	36.3	0	0	0	114.4	L630	L630-P632 VanDerWaalsContact C-N 3.33Å
633	Y	94.6	Very high	92.8	Very high	49 Å²	49	54.5 Å²	54.5	19%	0.192	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-108.1	13.6	-173.7	-49.7	-63.1	0	0	0	113.6	N574 A575 A578 C629 L630 S631 E635 F636	N574-Y633 HydrophobicContact CB-CE1 4.08Å; A575-Y633 HydrophobicContact CB-CD1 3.79Å; A575-Y633 HydrophobicContact CB-CD2 3.78Å; A575-Y633 HydrophobicContact CB-CE1 4.34Å; A575-Y633 HydrophobicContact CB-CE2 4.33Å; A575-Y633 HydrophobicContact CB-CG 3.47Å; A575-Y633 VanDerWaalsContact CB-CG 3.47Å; A578-Y633 HydrophobicContact CB-CE2 4.27Å; C629-Y633 WeakPolarHBondContact O-CE2 3.4Å; L630-Y633 PolarHBondContact O-N 2.68Å; S631-Y633 PolarHBondContact O-N 2.96Å; S631-Y633 VanDerWaalsContact O-N 3.07Å; Y633-E635 PolarHBondContact O-N 3.27Å; Y633-F636 PolarHBondContact O-N 3.49Å
634	M	92.6	Very high	92.8	Very high	82 Å²	82	54.3 Å²	54.3	40%	0.404	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.9	-179.7	-77.4	-67.6	-65.3	0	0	113.7	F619 E620 A623 S631 F636 S637	F619-M634 HydrophobicContact CD1-SD 4.12Å; F619-M634 HydrophobicContact CE1-SD 3.99Å; E620-M634 HydrophobicContact CB-CE 4.38Å; E620-M634 HydrophobicContact CG-CE 3.78Å; A623-M634 HydrophobicContact CB-SD 3.61Å; S631-M634 VanDerWaalsContact O-CG 3.28Å; S631-M634 WeakPolarHBondContact O-CG 3.45Å; S631-M634 PolarHBondContact O-N 3.22Å; M634-F636 PolarHBondContact O-N 3.21Å; M634-F636 VanDerWaalsContact O-N 3.14Å; M634-S637 WeakPolarHBondContact O-CB 3.46Å; M634-S637 PolarHBondContact O-N 2.94Å
635	E	91.3	Very high	92.8	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54	-31.6	173.7	-175.5	-174.9	-179.8	0	0	112.5	R567 Y633	R567-E635 IonicContact CZ-OE1 2.88Å; R567-E635 IonicContact CZ-OE2 2.66Å; R567-E635 IonicContact NH1-OE1 3.58Å; R567-E635 IonicContact NH1-OE2 2.85Å; R567-E635 PolarHBondContact NH1-OE2 3.4Å; R567-E635 IonicContact NH2-OE1 3.36Å; R567-E635 PolarHBondContact NH2-OE1 3.31Å; R567-E635 IonicContact NH2-OE2 2.77Å; R567-E635 PolarHBondContact NH2-OE2 2.73Å; Y633-E635 PolarHBondContact O-N 3.27Å
636	F	93.6	Very high	92.8	Very high	9 Å²	9	52 Å²	52	4%	0.039	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-101.4	11	-173.8	-57.3	-61.9	0	0	0	113.7	V568 L572 Y633 M634 Q638 R639 L640	V568-F636 HydrophobicContact CB-CE1 4.31Å; V568-F636 HydrophobicContact CB-CZ 4.48Å; V568-F636 HydrophobicContact CG1-CE1 3.8Å; V568-F636 HydrophobicContact CG1-CZ 4.4Å; V568-F636 HydrophobicContact CG2-CE1 4.11Å; V568-F636 HydrophobicContact CG2-CZ 4.24Å; L572-F636 HydrophobicContact CD2-CB 3.58Å; L572-F636 HydrophobicContact CD2-CD1 3.92Å; L572-F636 HydrophobicContact CD2-CG 3.73Å; L572-F636 HydrophobicContact CG-CB 4.46Å; L572-F636 HydrophobicContact CG-CD1 4.01Å; L572-F636 HydrophobicContact CG-CE1 4.49Å; L572-F636 HydrophobicContact CG-CG 4.08Å; Y633-F636 PolarHBondContact O-N 3.49Å; M634-F636 PolarHBondContact O-N 3.21Å; M634-F636 VanDerWaalsContact O-N 3.14Å; F636-Q638 VanDerWaalsContact C-N 3.31Å; F636-Q638 PolarHBondContact O-N 2.97Å; F636-R639 PolarHBondContact O-N 2.93Å; F636-L640 HydrophobicContact CB-CD1 4.07Å; F636-L640 HydrophobicContact CB-CG 4.16Å; F636-L640 WeakPolarHBondContact O-CG 3.49Å; F636-L640 PolarHBondContact O-N 2.86Å
637	S	93.4	Very high	92.8	Very high	18 Å²	18	54.2 Å²	54.2	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-49.8	-49.4	-173.8	71.5	0	0	0	0	112.9	E620 M634 K641	E620-S637 WeakPolarHBondContact OE1-CB 3.39Å; E620-S637 PolarHBondContact OE1-OG 3.14Å; M634-S637 WeakPolarHBondContact O-CB 3.46Å; M634-S637 PolarHBondContact O-N 2.94Å; S637-K641 WeakPolarHBondContact O-CB 3.35Å; S637-K641 PolarHBondContact O-N 3.46Å
638	Q	91.6	Very high	92.7	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.453	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-46.2	179.1	-169	-179.1	20.3	0	0	111.4	W182 F636 L640 K641 I642	W182-Q638 VanDerWaalsContact CH2-NE2 3.33Å; F636-Q638 VanDerWaalsContact C-N 3.31Å; F636-Q638 PolarHBondContact O-N 2.97Å; Q638-L640 PolarHBondContact O-N 2.74Å; Q638-K641 PolarHBondContact O-N 2.89Å; Q638-I642 HydrophobicContact CG-CD1 3.98Å; Q638-I642 WeakPolarHBondContact O-CG1 3.48Å; Q638-I642 PolarHBondContact O-N 3.17Å
639	R	94.2	Very high	92.7	Very high	50 Å²	50	49 Å²	49	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-179.4	-69.8	-169.8	-178	-159.5	5.8	111.8	F329 D544 L572 F636 I642 E643	F329-R639 VanDerWaalsContact CE1-NH2 3.29Å; D544-R639 IonicContact OD1-NH1 2.82Å; D544-R639 PolarHBondContact OD1-NH1 3.26Å; D544-R639 IonicContact OD1-NH2 3.34Å; D544-R639 IonicContact OD2-CZ 3.75Å; D544-R639 IonicContact OD2-NH1 3.74Å; D544-R639 PolarHBondContact OD2-NH1 3.49Å; D544-R639 IonicContact OD2-NH2 2.85Å; D544-R639 PolarHBondContact OD2-NH2 3.39Å; L572-R639 HydrophobicContact CD2-CB 4.07Å; F636-R639 PolarHBondContact O-N 2.93Å; R639-I642 WeakPolarHBondContact O-CB 3.49Å; R639-I642 PolarHBondContact O-N 3.24Å; R639-E643 WeakPolarHBondContact O-CG 3.29Å; R639-E643 PolarHBondContact O-N 3.3Å
640	L	95.4	Very high	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177.5	-68.1	168.2	0	0	0	111.6	L572 A575 I576 L579 F619 F636 Q638 I642 E643 A644	L572-L640 HydrophobicContact CD2-CD2 3.98Å; L572-L640 HydrophobicContact CD2-CG 4.18Å; A575-L640 HydrophobicContact CB-CD1 3.75Å; A575-L640 HydrophobicContact CB-CD2 3.86Å; A575-L640 HydrophobicContact CB-CG 4.43Å; I576-L640 HydrophobicContact CG1-CD2 3.72Å; L579-L640 HydrophobicContact CD1-CB 4.48Å; L579-L640 HydrophobicContact CD1-CD1 4.39Å; L579-L640 HydrophobicContact CD1-CD2 4.3Å; F619-L640 HydrophobicContact CD2-CB 4.25Å; F619-L640 HydrophobicContact CD2-CD1 3.72Å; F619-L640 HydrophobicContact CE1-CD1 4.43Å; F619-L640 HydrophobicContact CE2-CD1 3.4Å; F619-L640 HydrophobicContact CG-CD1 4.36Å; F619-L640 HydrophobicContact CZ-CD1 3.8Å; F636-L640 HydrophobicContact CB-CD1 4.07Å; F636-L640 HydrophobicContact CB-CG 4.16Å; F636-L640 WeakPolarHBondContact O-CG 3.49Å; F636-L640 PolarHBondContact O-N 2.86Å; Q638-L640 PolarHBondContact O-N 2.74Å; L640-I642 VanDerWaalsContact C-N 3.3Å; L640-I642 PolarHBondContact O-N 3.49Å; L640-E643 PolarHBondContact O-N 3.41Å; L640-A644 PolarHBondContact O-N 2.99Å
641	K	94.6	Very high	92.5	Very high	44 Å²	44	51.2 Å²	51.2	19%	0.191	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-42.9	173.2	179.1	62.1	176.9	-175	0	111.8	L612 Y614 V617 S637 Q638 V645	L612-K641 HydrophobicContact CB-CD 4.46Å; L612-K641 HydrophobicContact CD2-CD 4.29Å; L612-K641 WeakPolarHBondContact O-CD 3.46Å; L612-K641 WeakPolarHBondContact O-CE 3.46Å; L612-K641 PolarHBondContact O-NZ 2.83Å; Y614-K641 PolarHBondContact O-NZ 3.38Å; V617-K641 WeakPolarHBondContact O-CE 3.27Å; V617-K641 PolarHBondContact O-NZ 3.06Å; S637-K641 WeakPolarHBondContact O-CB 3.35Å; S637-K641 PolarHBondContact O-N 3.46Å; Q638-K641 PolarHBondContact O-N 2.89Å; K641-V645 HydrophobicContact CD-CG2 4.34Å; K641-V645 VanDerWaalsContact O-CG2 3.31Å; K641-V645 WeakPolarHBondContact O-CG2 3.41Å; K641-V645 PolarHBondContact O-N 3.03Å; K641-V645 VanDerWaalsContact O-N 3.14Å
642	I	93.9	Very high	92.2	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-47	178.7	-65.6	170.7	0	0	0	110.7	P179 W182 D541 Q638 R639 L640 A644 V645 Y646	P179-I642 HydrophobicContact CB-CD1 3.96Å; P179-I642 HydrophobicContact CB-CG1 4.09Å; P179-I642 HydrophobicContact CB-CG2 3.87Å; P179-I642 HydrophobicContact CG-CB 4.35Å; P179-I642 HydrophobicContact CG-CD1 3.88Å; P179-I642 HydrophobicContact CG-CG1 3.57Å; P179-I642 HydrophobicContact CG-CG2 3.99Å; W182-I642 HydrophobicContact CH2-CD1 4.11Å; W182-I642 HydrophobicContact CZ3-CD1 3.93Å; D541-I642 HydrophobicContact CB-CD1 4.39Å; Q638-I642 HydrophobicContact CG-CD1 3.98Å; Q638-I642 WeakPolarHBondContact O-CG1 3.48Å; Q638-I642 PolarHBondContact O-N 3.17Å; R639-I642 WeakPolarHBondContact O-CB 3.49Å; R639-I642 PolarHBondContact O-N 3.24Å; L640-I642 VanDerWaalsContact C-N 3.3Å; L640-I642 PolarHBondContact O-N 3.49Å; I642-A644 VanDerWaalsContact C-N 3.33Å; I642-A644 PolarHBondContact O-N 3.36Å; I642-V645 PolarHBondContact O-N 3.13Å; I642-Y646 HydrophobicContact CG2-CD2 3.82Å; I642-Y646 HydrophobicContact CG2-CE2 4.18Å; I642-Y646 WeakPolarHBondContact O-CD2 3.35Å; I642-Y646 PolarHBondContact O-N 2.94Å; I642-Y646 VanDerWaalsContact O-N 3.07Å
643	E	93.8	Very high	92	Very high	47 Å²	47	52.7 Å²	52.7	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-41.6	179	-73.6	-58.2	149.6	0	0	111.8	R539 M609 R639 L640 K647	R539-E643 IonicContact CZ-OE1 3.1Å; R539-E643 IonicContact NH1-OE1 3.5Å; R539-E643 IonicContact NH2-OE1 2.79Å; R539-E643 PolarHBondContact NH2-OE1 3.13Å; M609-E643 HydrophobicContact CE-CB 3.98Å; R639-E643 WeakPolarHBondContact O-CG 3.29Å; R639-E643 PolarHBondContact O-N 3.3Å; L640-E643 PolarHBondContact O-N 3.41Å; E643-K647 VanDerWaalsContact O-CB 3.28Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.08Å
644	A	92.8	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-53.3	174.8	0	0	0	0	0	111.9	M609 L612 E613 L640 I642 Y646 K647	M609-A644 HydrophobicContact CE-CB 3.84Å; M609-A644 HydrophobicContact CG-CB 4.5Å; M609-A644 HydrophobicContact SD-CB 3.94Å; L612-A644 HydrophobicContact CB-CB 3.44Å; L612-A644 VanDerWaalsContact CB-CB 3.44Å; E613-A644 HydrophobicContact CG-CB 4.43Å; L640-A644 PolarHBondContact O-N 2.99Å; I642-A644 VanDerWaalsContact C-N 3.33Å; I642-A644 PolarHBondContact O-N 3.36Å; A644-Y646 VanDerWaalsContact C-N 3.29Å; A644-Y646 PolarHBondContact O-N 3.17Å; A644-K647 PolarHBondContact O-N 3.19Å
645	V	92.2	Very high	91.6	Very high	58 Å²	58	57.7 Å²	57.7	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-34.7	-176.3	171.6	0	0	0	0	112.8	K641 I642	K641-V645 HydrophobicContact CD-CG2 4.34Å; K641-V645 VanDerWaalsContact O-CG2 3.31Å; K641-V645 WeakPolarHBondContact O-CG2 3.41Å; K641-V645 PolarHBondContact O-N 3.03Å; K641-V645 VanDerWaalsContact O-N 3.14Å; I642-V645 PolarHBondContact O-N 3.13Å
646	Y	92.3	Very high	91.4	Very high	27 Å²	27	55.5 Å²	55.5	11%	0.106	27%	0.272	C	S	.	.	H	α-helix	trans	-95.5	-7.3	-178.5	-73.5	-68.2	0	0	0	114.8	P179 A180 T536 I642 A644 H649 N650	P179-Y646 HydrophobicContact CB-CE2 3.79Å; P179-Y646 WeakPolarHBondContact CD-OH 3.43Å; P179-Y646 HydrophobicContact CG-CE2 3.71Å; A180-Y646 HydrophobicContact CB-CE1 3.9Å; A180-Y646 HydrophobicContact CB-CE2 4.43Å; A180-Y646 PolarHBondContact N-OH 3.36Å; T536-Y646 HydrophobicContact CG2-CD1 3.91Å; T536-Y646 HydrophobicContact CG2-CE1 4.04Å; I642-Y646 HydrophobicContact CG2-CD2 3.82Å; I642-Y646 HydrophobicContact CG2-CE2 4.18Å; I642-Y646 WeakPolarHBondContact O-CD2 3.35Å; I642-Y646 PolarHBondContact O-N 2.94Å; I642-Y646 VanDerWaalsContact O-N 3.07Å; A644-Y646 VanDerWaalsContact C-N 3.29Å; A644-Y646 PolarHBondContact O-N 3.17Å; Y646-H649 PolarHBondContact O-N 3.05Å; Y646-H649 VanDerWaalsContact O-N 3.13Å; Y646-N650 VanDerWaalsContact O-CG 3.3Å; Y646-N650 PolarHBondContact O-N 2.86Å
647	K	91.4	Very high	91.3	Very high	74 Å²	74	56.3 Å²	56.3	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-50.9	-49.5	-179.3	172.2	172.9	174.1	48.9	0	113.3	E643 A644 H649 N650 D651	E643-K647 VanDerWaalsContact O-CB 3.28Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.08Å; A644-K647 PolarHBondContact O-N 3.19Å; K647-H649 VanDerWaalsContact C-N 3.31Å; K647-H649 PolarHBondContact O-N 3.31Å; K647-N650 PolarHBondContact O-N 3.41Å; K647-D651 WeakPolarHBondContact CG-OD2 3.06Å; K647-D651 IonicContact NZ-OD1 3.91Å; K647-D651 IonicContact NZ-OD2 2.79Å; K647-D651 PolarHBondContact NZ-OD2 2.91Å; K647-D651 WeakPolarHBondContact O-CB 3.42Å; K647-D651 PolarHBondContact O-N 3.13Å
648	P	89.6	Confident	91.1	Very high	49 Å²	49	61.2 Å²	61.2	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-39.6	-179.3	-24	34.3	0	0	0	113.1	Q652	P648-Q652 WeakPolarHBondContact O-CG 3.18Å; P648-Q652 PolarHBondContact O-N 2.92Å; P648-Q652 VanDerWaalsContact O-N 3.15Å
649	H	89.8	Confident	90.9	Very high	92 Å²	92	62 Å²	62	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-40.5	178.9	-59.4	90.1	0	0	0	111.6	T536 Y646 K647 Q652 N653	T536-H649 HydrophobicContact CG2-CB 4.25Å; Y646-H649 PolarHBondContact O-N 3.05Å; Y646-H649 VanDerWaalsContact O-N 3.13Å; K647-H649 VanDerWaalsContact C-N 3.31Å; K647-H649 PolarHBondContact O-N 3.31Å; H649-Q652 PolarHBondContact O-N 2.98Å; H649-N653 VanDerWaalsContact O-CG 3.31Å; H649-N653 PolarHBondContact O-N 3.28Å; H649-N653 VanDerWaalsContact O-N 3.11Å; H649-N653 PolarHBondContact O-ND2 3.32Å
650	N	89.4	Confident	90.6	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.15	29%	0.291	C	S	.	.	H	α-helix	trans	-70.4	-36.7	179.8	-66.4	-14.5	0	0	0	111.4	T536 S537 Y646 K647 N653 R654	T536-N650 WeakPolarHBondContact CB-OD1 3.41Å; T536-N650 PolarHBondContact O-OD1 2.98Å; T536-N650 PolarHBondContact OG1-OD1 2.77Å; S537-N650 PolarHBondContact OG-OD1 3.46Å; Y646-N650 VanDerWaalsContact O-CG 3.3Å; Y646-N650 PolarHBondContact O-N 2.86Å; K647-N650 PolarHBondContact O-N 3.41Å; N650-N653 PolarHBondContact O-N 3.34Å; N650-R654 PolarHBondContact O-N 2.96Å; N650-R654 VanDerWaalsContact O-N 3.14Å
651	D	89.1	Confident	90.2	Very high	77 Å²	77	63.2 Å²	63.2	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-40.5	175.5	-74.7	-25.5	0	0	0	111.3	K647 R654	K647-D651 WeakPolarHBondContact CG-OD2 3.06Å; K647-D651 IonicContact NZ-OD1 3.91Å; K647-D651 IonicContact NZ-OD2 2.79Å; K647-D651 PolarHBondContact NZ-OD2 2.91Å; K647-D651 WeakPolarHBondContact O-CB 3.42Å; K647-D651 PolarHBondContact O-N 3.13Å; D651-R654 WeakPolarHBondContact O-CB 3.37Å; D651-R654 PolarHBondContact O-N 3.42Å
652	Q	87.4	Confident	89.8	Confident	141 Å²	141	64 Å²	64	66%	0.659	31%	0.314	S	S	*	.	H	α-helix	trans	-62.5	-41.2	173.2	-72.9	172	6	0	0	112.7	P648 H649 R654	P648-Q652 WeakPolarHBondContact O-CG 3.18Å; P648-Q652 PolarHBondContact O-N 2.92Å; P648-Q652 VanDerWaalsContact O-N 3.15Å; H649-Q652 PolarHBondContact O-N 2.98Å; Q652-R654 VanDerWaalsContact C-N 3.26Å; Q652-R654 PolarHBondContact O-N 2.96Å
653	N	89.3	Confident	89.5	Confident	43 Å²	43	64.6 Å²	64.6	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-73.8	-15.4	-179.3	-73.2	-21.8	0	0	0	113.5	F534 T536 H649 N650 S655 E656 I657	F534-N653 HydrophobicContact CD1-CB 3.94Å; F534-N653 HydrophobicContact CE1-CB 4.25Å; T536-N653 PolarHBondContact OG1-ND2 2.82Å; H649-N653 VanDerWaalsContact O-CG 3.31Å; H649-N653 PolarHBondContact O-N 3.28Å; H649-N653 VanDerWaalsContact O-N 3.11Å; H649-N653 PolarHBondContact O-ND2 3.32Å; N650-N653 PolarHBondContact O-N 3.34Å; N653-S655 PolarHBondContact O-N 3.05Å; N653-E656 PolarHBondContact O-N 3.39Å; N653-I657 HydrophobicContact CB-CD1 4.29Å; N653-I657 WeakPolarHBondContact O-CG1 3.22Å; N653-I657 PolarHBondContact O-N 3.16Å
654	R	89.8	Confident	89.1	Confident	149 Å²	149	63.8 Å²	63.8	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-38.3	-168.9	-166.8	173.5	-174	-176.3	0.4	113.7	N650 D651 Q652 K658	N650-R654 PolarHBondContact O-N 2.96Å; N650-R654 VanDerWaalsContact O-N 3.14Å; D651-R654 WeakPolarHBondContact O-CB 3.37Å; D651-R654 PolarHBondContact O-N 3.42Å; Q652-R654 VanDerWaalsContact C-N 3.26Å; Q652-R654 PolarHBondContact O-N 2.96Å; R654-K658 WeakPolarHBondContact O-CG 3.43Å; R654-K658 PolarHBondContact O-N 3.41Å; R654-K658 VanDerWaalsContact O-N 3.16Å
655	S	88.5	Confident	88.7	Confident	86 Å²	86	69.6 Å²	69.6	60%	0.601	34%	0.344	S	S	*	.	H	α-helix	trans	-65.6	-42.2	177.5	53	0	0	0	0	111.2	N653 K658 R659	N653-S655 PolarHBondContact O-N 3.05Å; S655-K658 PolarHBondContact O-N 3.34Å; S655-R659 PolarHBondContact O-N 3.42Å
656	E	88.6	Confident	88.4	Confident	70 Å²	70	67.9 Å²	67.9	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-69.2	-41.4	180	-177.1	63.2	-177.1	0	0	112.1	F534 N653 K658 R659 I660	F534-E656 HydrophobicContact CE1-CB 4.32Å; F534-E656 HydrophobicContact CE1-CG 4.07Å; F534-E656 HydrophobicContact CZ-CB 4.48Å; F534-E656 HydrophobicContact CZ-CG 3.87Å; N653-E656 PolarHBondContact O-N 3.39Å; E656-K658 VanDerWaalsContact C-N 3.32Å; E656-K658 PolarHBondContact O-N 3.19Å; E656-R659 WeakPolarHBondContact O-CB 3.31Å; E656-R659 PolarHBondContact O-N 3.3Å; E656-R659 IonicContact OE1-CZ 3.84Å; E656-R659 IonicContact OE1-NE 3.36Å; E656-R659 IonicContact OE1-NH2 3.41Å; E656-R659 PolarHBondContact OE1-NH2 3.35Å; E656-R659 IonicContact OE2-CZ 3.49Å; E656-R659 IonicContact OE2-NE 3.81Å; E656-R659 PolarHBondContact OE2-NE 3Å; E656-R659 IonicContact OE2-NH2 3.53Å; E656-R659 PolarHBondContact OE2-NH2 2.98Å; E656-I660 HydrophobicContact CG-CD1 4.27Å; E656-I660 WeakPolarHBondContact O-CG1 3.35Å; E656-I660 PolarHBondContact O-N 3.03Å
657	I	89.8	Confident	88	Confident	26 Å²	26	69.5 Å²	69.5	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-56.7	-47.5	172.4	-72.1	169.2	0	0	0	110.4	T505 F534 N653 R659 I660 Q661	T505-I657 HydrophobicContact CG2-CG2 4.4Å; F534-I657 HydrophobicContact CB-CD1 4.43Å; F534-I657 HydrophobicContact CD1-CD1 3.83Å; F534-I657 HydrophobicContact CD1-CG1 3.57Å; F534-I657 HydrophobicContact CD2-CG1 4.07Å; F534-I657 HydrophobicContact CE1-CD1 4.28Å; F534-I657 HydrophobicContact CE1-CG1 3.54Å; F534-I657 HydrophobicContact CE2-CG1 4.06Å; F534-I657 HydrophobicContact CG-CD1 4.02Å; F534-I657 HydrophobicContact CG-CG1 3.83Å; F534-I657 HydrophobicContact CZ-CG1 3.8Å; N653-I657 HydrophobicContact CB-CD1 4.29Å; N653-I657 WeakPolarHBondContact O-CG1 3.22Å; N653-I657 PolarHBondContact O-N 3.16Å; I657-R659 VanDerWaalsContact C-N 3.32Å; I657-R659 PolarHBondContact O-N 3.41Å; I657-I660 PolarHBondContact O-N 3.35Å; I657-Q661 HydrophobicContact CG2-CG 4.32Å; I657-Q661 WeakPolarHBondContact O-CB 3.42Å; I657-Q661 VanDerWaalsContact O-CG 3.26Å; I657-Q661 WeakPolarHBondContact O-CG 3.38Å; I657-Q661 PolarHBondContact O-N 2.68Å
658	K	90.1	Very high	87.6	Confident	121 Å²	121	66.3 Å²	66.3	53%	0.526	33%	0.334	S	S	.	.	H	α-helix	trans	-61.6	-39.5	178.1	-74.7	177.2	178.3	-175.3	0	112.3	R654 S655 E656 S662	R654-K658 WeakPolarHBondContact O-CG 3.43Å; R654-K658 PolarHBondContact O-N 3.41Å; R654-K658 VanDerWaalsContact O-N 3.16Å; S655-K658 PolarHBondContact O-N 3.34Å; E656-K658 VanDerWaalsContact C-N 3.32Å; E656-K658 PolarHBondContact O-N 3.19Å; K658-S662 WeakPolarHBondContact O-CB 3.19Å; K658-S662 PolarHBondContact O-N 2.94Å
659	R	87.8	Confident	87.2	Confident	113 Å²	113	66.8 Å²	66.8	43%	0.426	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-51.3	176.5	-172.6	-175.6	70.4	84.4	-4.3	110.9	S655 E656 I657 Q661 S662 E663	S655-R659 PolarHBondContact O-N 3.42Å; E656-R659 WeakPolarHBondContact O-CB 3.31Å; E656-R659 PolarHBondContact O-N 3.3Å; E656-R659 IonicContact OE1-CZ 3.84Å; E656-R659 IonicContact OE1-NE 3.36Å; E656-R659 IonicContact OE1-NH2 3.41Å; E656-R659 PolarHBondContact OE1-NH2 3.35Å; E656-R659 IonicContact OE2-CZ 3.49Å; E656-R659 IonicContact OE2-NE 3.81Å; E656-R659 PolarHBondContact OE2-NE 3Å; E656-R659 IonicContact OE2-NH2 3.53Å; E656-R659 PolarHBondContact OE2-NH2 2.98Å; I657-R659 VanDerWaalsContact C-N 3.32Å; I657-R659 PolarHBondContact O-N 3.41Å; R659-Q661 PolarHBondContact O-N 3.4Å; R659-S662 WeakPolarHBondContact O-CB 3.42Å; R659-S662 PolarHBondContact O-N 3.19Å; R659-E663 IonicContact CZ-OE1 2.7Å; R659-E663 IonicContact NH1-OE1 3.03Å; R659-E663 PolarHBondContact NH1-OE1 3.33Å; R659-E663 IonicContact NH1-OE2 2.98Å; R659-E663 PolarHBondContact NH1-OE2 3.38Å; R659-E663 WeakPolarHBondContact O-CG 3.42Å; R659-E663 PolarHBondContact O-N 2.92Å
660	I	86.9	Confident	86.4	Confident	21 Å²	21	68.1 Å²	68.1	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-44.3	179.4	-67.3	171.7	0	0	0	111	T505 F534 E656 I657 S662 E663 E664	T505-I660 HydrophobicContact CG2-CB 4Å; T505-I660 HydrophobicContact CG2-CD1 4.45Å; T505-I660 HydrophobicContact CG2-CG2 3.62Å; F534-I660 HydrophobicContact CE2-CD1 3.63Å; F534-I660 HydrophobicContact CZ-CD1 3.56Å; E656-I660 HydrophobicContact CG-CD1 4.27Å; E656-I660 WeakPolarHBondContact O-CG1 3.35Å; E656-I660 PolarHBondContact O-N 3.03Å; I657-I660 PolarHBondContact O-N 3.35Å; I660-S662 VanDerWaalsContact C-N 3.3Å; I660-S662 PolarHBondContact O-N 2.93Å; I660-E663 PolarHBondContact O-N 2.82Å; I660-E664 HydrophobicContact CG2-CG 4.33Å; I660-E664 WeakPolarHBondContact O-CG 3.23Å; I660-E664 PolarHBondContact O-N 3.36Å
661	Q	87.8	Confident	85.8	Confident	54 Å²	54	73.3 Å²	73.3	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-61.8	-38.4	177.3	-73	176.2	-12.4	0	0	112.1	T505 I657 R659 E664 N665	T505-Q661 HydrophobicContact CG2-CG 4.44Å; T505-Q661 WeakPolarHBondContact OG1-CG 3.38Å; T505-Q661 PolarHBondContact OG1-NE2 2.89Å; I657-Q661 HydrophobicContact CG2-CG 4.32Å; I657-Q661 WeakPolarHBondContact O-CB 3.42Å; I657-Q661 VanDerWaalsContact O-CG 3.26Å; I657-Q661 WeakPolarHBondContact O-CG 3.38Å; I657-Q661 PolarHBondContact O-N 2.68Å; R659-Q661 PolarHBondContact O-N 3.4Å; Q661-E664 PolarHBondContact O-N 3.3Å; Q661-N665 WeakPolarHBondContact O-CB 3.46Å; Q661-N665 VanDerWaalsContact O-CG 3.24Å; Q661-N665 PolarHBondContact O-N 2.88Å; Q661-N665 PolarHBondContact O-ND2 3.45Å
662	S	86.6	Confident	85.5	Confident	60 Å²	60	70.1 Å²	70.1	42%	0.42	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-46.4	173.8	-173.3	0	0	0	0	111.5	K658 R659 I660 E664 N665 M666	K658-S662 WeakPolarHBondContact O-CB 3.19Å; K658-S662 PolarHBondContact O-N 2.94Å; R659-S662 WeakPolarHBondContact O-CB 3.42Å; R659-S662 PolarHBondContact O-N 3.19Å; I660-S662 VanDerWaalsContact C-N 3.3Å; I660-S662 PolarHBondContact O-N 2.93Å; S662-E664 PolarHBondContact O-N 2.91Å; S662-N665 PolarHBondContact O-N 3.36Å; S662-M666 WeakPolarHBondContact O-CG 3.41Å; S662-M666 PolarHBondContact O-N 2.68Å
663	E	86.6	Confident	85.4	Confident	21 Å²	21	66.8 Å²	66.8	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-34.5	177.7	-68.1	170.4	-167.9	0	0	112.8	R659 I660 N665 M666 L697 G698	R659-E663 IonicContact CZ-OE1 2.7Å; R659-E663 IonicContact NH1-OE1 3.03Å; R659-E663 PolarHBondContact NH1-OE1 3.33Å; R659-E663 IonicContact NH1-OE2 2.98Å; R659-E663 PolarHBondContact NH1-OE2 3.38Å; R659-E663 WeakPolarHBondContact O-CG 3.42Å; R659-E663 PolarHBondContact O-N 2.92Å; I660-E663 PolarHBondContact O-N 2.82Å; E663-N665 VanDerWaalsContact C-N 3.31Å; E663-M666 PolarHBondContact O-N 2.81Å; E663-L697 HydrophobicContact CG-CD2 4.23Å; E663-G698 PolarHBondContact O-N 3.5Å
664	E	84.8	Confident	85.3	Confident	30 Å²	30	64.8 Å²	64.8	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-31	173.5	-73.6	-179.3	163.7	0	0	112.1	S503 I660 Q661 S662 M666 T696 R702	S503-E664 VanDerWaalsContact CB-OE2 3.32Å; S503-E664 WeakPolarHBondContact CB-OE2 3.45Å; S503-E664 PolarHBondContact OG-OE2 3.48Å; I660-E664 HydrophobicContact CG2-CG 4.33Å; I660-E664 WeakPolarHBondContact O-CG 3.23Å; I660-E664 PolarHBondContact O-N 3.36Å; Q661-E664 PolarHBondContact O-N 3.3Å; S662-E664 PolarHBondContact O-N 2.91Å; E664-M666 VanDerWaalsContact C-N 3.29Å; E664-T696 WeakPolarHBondContact O-CB 3.2Å; E664-T696 WeakPolarHBondContact O-CG2 3.33Å; E664-R702 IonicContact OE1-CZ 2.65Å; E664-R702 IonicContact OE1-NH1 3.14Å; E664-R702 PolarHBondContact OE1-NH1 3.39Å; E664-R702 IonicContact OE1-NH2 3.01Å; E664-R702 PolarHBondContact OE1-NH2 3.34Å
665	N	84.2	Confident	85.2	Confident	122 Å²	122	61.9 Å²	61.9	65%	0.652	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.3	175.5	-67.9	-32.8	0	0	0	113.5	Q661 S662 E663 S667 R722	Q661-N665 WeakPolarHBondContact O-CB 3.46Å; Q661-N665 VanDerWaalsContact O-CG 3.24Å; Q661-N665 PolarHBondContact O-N 2.88Å; Q661-N665 PolarHBondContact O-ND2 3.45Å; S662-N665 PolarHBondContact O-N 3.36Å; E663-N665 VanDerWaalsContact C-N 3.31Å; N665-S667 PolarHBondContact O-N 2.94Å; N665-R722 PolarHBondContact O-NH2 3.32Å
666	M	86.3	Confident	85.1	Confident	21 Å²	21	62.7 Å²	62.7	10%	0.103	32%	0.323	C	S	.	.	S	Bend	trans	-87.5	93.4	172.6	-72.7	-175.4	-168.8	0	0	109.9	S662 E663 E664 T696 L697 F715 V718	S662-M666 WeakPolarHBondContact O-CG 3.41Å; S662-M666 PolarHBondContact O-N 2.68Å; E663-M666 PolarHBondContact O-N 2.81Å; E664-M666 VanDerWaalsContact C-N 3.29Å; M666-T696 CarbonylContact O-C 3.4Å; M666-T696 WeakPolarHBondContact O-CA 3.22Å; M666-L697 HydrophobicContact CB-CB 3.97Å; M666-L697 PolarHBondContact O-N 3.03Å; M666-L697 HydrophobicContact SD-CD2 4.01Å; M666-F715 HydrophobicContact CE-CD2 4.18Å; M666-F715 HydrophobicContact CE-CE2 3.48Å; M666-F715 VanDerWaalsContact CE-CE2 3.48Å; M666-F715 HydrophobicContact CE-CZ 4.24Å; M666-F715 HydrophobicContact SD-CD2 3.69Å; M666-F715 HydrophobicContact SD-CE2 3.64Å; M666-V718 HydrophobicContact CB-CG1 4.32Å
667	S	83.5	Confident	85	Confident	62 Å²	62	59.7 Å²	59.7	43%	0.434	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-64.2	134	176.1	54.1	0	0	0	0	111.8	N665 R722	N665-S667 PolarHBondContact O-N 2.94Å; S667-R722 PolarHBondContact OG-NH2 2.85Å
668	L	83.8	Confident	84.5	Confident	6 Å²	6	64 Å²	64	3%	0.031	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-99.2	123.8	165.9	-67.9	171.5	0	0	0	108.1	Q670 I672 P694 T695 A700 V718	L668-Q670 PolarHBondContact O-N 3.2Å; L668-I672 HydrophobicContact CB-CD1 4.37Å; L668-I672 HydrophobicContact CD2-CD1 4.31Å; L668-P694 HydrophobicContact CD1-CB 4.45Å; L668-P694 HydrophobicContact CD1-CG 4.04Å; L668-T695 PolarHBondContact N-O 3.3Å; L668-A700 HydrophobicContact CD1-CB 4.31Å; L668-V718 HydrophobicContact CD2-CG2 3.43Å; L668-V718 VanDerWaalsContact CD2-CG2 3.43Å
669	P	80.9	Confident	84.3	Confident	59 Å²	59	59.2 Å²	59.2	38%	0.383	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-54.4	136.3	172.7	-21.4	26	0	0	0	111.6	D671 I672	P669-D671 WeakPolarHBondContact CB-OD1 3.13Å; P669-D671 PolarHBondContact O-N 3.13Å; P669-I672 HydrophobicContact CB-CD1 4.32Å; P669-I672 HydrophobicContact CB-CG1 4.06Å; P669-I672 HydrophobicContact CG-CD1 4.2Å; P669-I672 HydrophobicContact CG-CG1 4.3Å; P669-I672 WeakPolarHBondContact O-CG1 3.48Å; P669-I672 PolarHBondContact O-N 3.11Å
670	Q	73.4	Confident	84.3	Confident	120 Å²	120	58.7 Å²	58.7	56%	0.561	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-23	-174.6	-66.5	-171.3	-0.7	0	0	112.8	L668 R693	L668-Q670 PolarHBondContact O-N 3.2Å; Q670-R693 PolarHBondContact O-NH1 3.25Å
671	D	76.1	Confident	84.4	Confident	138 Å²	138	58.5 Å²	58.5	74%	0.738	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	4.7	-178	62.9	-34.2	0	0	0	113.6	P669 D673	P669-D671 WeakPolarHBondContact CB-OD1 3.13Å; P669-D671 PolarHBondContact O-N 3.13Å; D671-D673 PolarHBondContact O-N 3.33Å
672	I	83.4	Confident	84.6	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	34%	0.341	C	S	.	.			trans	-55.2	125.3	171.7	-72.7	167.4	0	0	0	109.3	L668 P669 Y674 L677 R693 Y717	L668-I672 HydrophobicContact CB-CD1 4.37Å; L668-I672 HydrophobicContact CD2-CD1 4.31Å; P669-I672 HydrophobicContact CB-CD1 4.32Å; P669-I672 HydrophobicContact CB-CG1 4.06Å; P669-I672 HydrophobicContact CG-CD1 4.2Å; P669-I672 HydrophobicContact CG-CG1 4.3Å; P669-I672 WeakPolarHBondContact O-CG1 3.48Å; P669-I672 PolarHBondContact O-N 3.11Å; I672-Y674 HydrophobicContact CB-CE1 4.39Å; I672-Y674 HydrophobicContact CB-CE2 4.39Å; I672-Y674 HydrophobicContact CG2-CD1 3.69Å; I672-Y674 HydrophobicContact CG2-CD2 4.22Å; I672-Y674 HydrophobicContact CG2-CE1 3.73Å; I672-Y674 HydrophobicContact CG2-CE2 4.26Å; I672-Y674 HydrophobicContact CG2-CG 3.96Å; I672-Y674 PolarHBondContact O-N 3.32Å; I672-L677 HydrophobicContact CG2-CD1 3.92Å; I672-R693 PolarHBondContact O-NH1 2.79Å; I672-Y717 HydrophobicContact CD1-CE1 4.24Å
673	D	84.6	Confident	84.7	Confident	70 Å²	70	61.2 Å²	61.2	37%	0.374	35%	0.345	S	S	.	.			trans	-84.8	100.9	162.4	178.8	3.2	0	0	0	109.1	D671 F675 T676 L677	D671-D673 PolarHBondContact O-N 3.33Å; D673-F675 PolarHBondContact O-N 3.14Å; D673-F675 WeakPolarHBondContact OD1-CB 3.39Å; D673-F675 PolarHBondContact OD1-N 3.36Å; D673-T676 WeakPolarHBondContact CB-OG1 3.4Å; D673-T676 PolarHBondContact O-N 3.2Å; D673-T676 PolarHBondContact OD1-N 3.14Å; D673-T676 WeakPolarHBondContact OD2-CB 3.39Å; D673-T676 WeakPolarHBondContact OD2-CG2 3.34Å; D673-T676 PolarHBondContact OD2-OG1 3.15Å; D673-L677 PolarHBondContact O-N 3.47Å; D673-L677 VanDerWaalsContact O-N 3.07Å
674	Y	87.6	Confident	84.9	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.008	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.3	-179.2	-68.1	-74.3	0	0	0	113.1	I672 R686 L689 D690	I672-Y674 HydrophobicContact CB-CE1 4.39Å; I672-Y674 HydrophobicContact CB-CE2 4.39Å; I672-Y674 HydrophobicContact CG2-CD1 3.69Å; I672-Y674 HydrophobicContact CG2-CD2 4.22Å; I672-Y674 HydrophobicContact CG2-CE1 3.73Å; I672-Y674 HydrophobicContact CG2-CE2 4.26Å; I672-Y674 HydrophobicContact CG2-CG 3.96Å; I672-Y674 PolarHBondContact O-N 3.32Å; Y674-R686 VanDerWaalsContact O-CD 3.32Å; Y674-R686 WeakPolarHBondContact O-CD 3.3Å; Y674-R686 VanDerWaalsContact O-CG 3.25Å; Y674-R686 WeakPolarHBondContact O-CG 3.39Å; Y674-R686 PolarHBondContact O-NH1 3.35Å; Y674-L689 HydrophobicContact CD1-CB 3.53Å; Y674-L689 HydrophobicContact CD1-CD1 3.72Å; Y674-L689 HydrophobicContact CD1-CG 4.19Å; Y674-L689 HydrophobicContact CD2-CB 3.92Å; Y674-L689 HydrophobicContact CE1-CB 3.72Å; Y674-L689 HydrophobicContact CE1-CD1 3.95Å; Y674-L689 HydrophobicContact CE1-CD2 4.32Å; Y674-L689 HydrophobicContact CE1-CG 4.22Å; Y674-L689 HydrophobicContact CE2-CB 4.08Å; Y674-L689 WeakPolarHBondContact CE2-O 3.44Å; Y674-L689 HydrophobicContact CG-CB 3.63Å; Y674-D690 HydrophobicContact CD2-CB 4.33Å
675	F	88.3	Confident	85.3	Confident	87 Å²	87	64.8 Å²	64.8	38%	0.382	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-33.6	176.9	-68.3	-72.1	0	0	0	112.3	D673 R686 E687 D690	D673-F675 PolarHBondContact O-N 3.14Å; D673-F675 WeakPolarHBondContact OD1-CB 3.39Å; D673-F675 PolarHBondContact OD1-N 3.36Å; F675-R686 HydrophobicContact CD1-CB 4.18Å; F675-R686 HydrophobicContact CE1-CB 4.22Å; F675-R686 PolarHBondContact O-NH1 2.98Å; F675-R686 VanDerWaalsContact O-NH1 3.15Å; F675-E687 HydrophobicContact CE1-CG 4.05Å; F675-E687 HydrophobicContact CZ-CG 4.17Å; F675-D690 HydrophobicContact CE2-CB 3.82Å; F675-D690 HydrophobicContact CZ-CB 4.21Å
676	T	86.9	Confident	85.6	Confident	103 Å²	103	60.5 Å²	60.5	63%	0.632	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4	179.9	58.3	0	0	0	0	113.9	D673	D673-T676 WeakPolarHBondContact CB-OG1 3.4Å; D673-T676 PolarHBondContact O-N 3.2Å; D673-T676 PolarHBondContact OD1-N 3.14Å; D673-T676 WeakPolarHBondContact OD2-CB 3.39Å; D673-T676 WeakPolarHBondContact OD2-CG2 3.34Å; D673-T676 PolarHBondContact OD2-OG1 3.15Å
677	L	84.9	Confident	85.8	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	36%	0.355	C	S	.	.			trans	-53.4	125.3	-179.4	-164.7	73.3	0	0	0	112	I672 D673 V679 L681 R686 L714 Y717	I672-L677 HydrophobicContact CG2-CD1 3.92Å; D673-L677 PolarHBondContact O-N 3.47Å; D673-L677 VanDerWaalsContact O-N 3.07Å; L677-V679 HydrophobicContact CD2-CB 3.97Å; L677-V679 HydrophobicContact CD2-CG2 3.82Å; L677-V679 HydrophobicContact CG-CB 4.1Å; L677-V679 HydrophobicContact CG-CG2 3.76Å; L677-V679 PolarHBondContact O-N 3.17Å; L677-L681 HydrophobicContact CD2-CD1 4.01Å; L677-R686 PolarHBondContact O-NH1 3.34Å; L677-R686 PolarHBondContact O-NH2 2.93Å; L677-L714 HydrophobicContact CD2-CD2 3.92Å; L677-Y717 HydrophobicContact CD1-CD1 4.36Å; L677-Y717 HydrophobicContact CD1-CD2 4.25Å; L677-Y717 HydrophobicContact CD1-CE1 3.87Å; L677-Y717 HydrophobicContact CD1-CE2 3.74Å
678	P	81.1	Confident	86	Confident	117 Å²	117	62.6 Å²	62.6	76%	0.76	34%	0.34	S	S	*	.	S	Bend	trans	-79.7	55.3	-176.1	34.4	-37.1	0	0	0	111.4
679	V	84.5	Confident	86.2	Confident	20 Å²	20	62.3 Å²	62.3	12%	0.121	34%	0.338	C	S	.	.	S	Bend	trans	-136.7	139	-174.6	179.7	0	0	0	0	107.5	L677 L681 R686 N713 Y717	L677-V679 HydrophobicContact CD2-CB 3.97Å; L677-V679 HydrophobicContact CD2-CG2 3.82Å; L677-V679 HydrophobicContact CG-CB 4.1Å; L677-V679 HydrophobicContact CG-CG2 3.76Å; L677-V679 PolarHBondContact O-N 3.17Å; V679-L681 HydrophobicContact CB-CG 4.38Å; V679-L681 HydrophobicContact CG1-CD1 4.44Å; V679-L681 HydrophobicContact CG1-CD2 4.25Å; V679-L681 HydrophobicContact CG1-CG 4.01Å; V679-L681 PolarHBondContact O-N 2.75Å; V679-R686 PolarHBondContact O-NH2 2.99Å; V679-N713 HydrophobicContact CG1-CB 3.5Å; V679-Y717 HydrophobicContact CG2-CD2 3.76Å; V679-Y717 HydrophobicContact CG2-CG 3.93Å
680	S	87.8	Confident	86.5	Confident	101 Å²	101	61.9 Å²	61.9	71%	0.706	33%	0.333	S	S	*	.			trans	-71.2	97.5	178.6	-171.8	0	0	0	0	110.5	N713	S680-N713 PolarHBondContact O-ND2 2.85Å
681	L	89.8	Confident	86.9	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.094	34%	0.342	C	S	.	.			trans	-131.3	138.7	177.8	-60.4	176.2	0	0	0	109	L677 V679 V685 R686 L689 A710 N713 L714	L677-L681 HydrophobicContact CD2-CD1 4.01Å; V679-L681 HydrophobicContact CB-CG 4.38Å; V679-L681 HydrophobicContact CG1-CD1 4.44Å; V679-L681 HydrophobicContact CG1-CD2 4.25Å; V679-L681 HydrophobicContact CG1-CG 4.01Å; V679-L681 PolarHBondContact O-N 2.75Å; L681-V685 HydrophobicContact CB-CG1 4.3Å; L681-V685 HydrophobicContact CD2-CG1 4.08Å; L681-R686 HydrophobicContact CB-CG 3.89Å; L681-R686 HydrophobicContact CD1-CG 4.42Å; L681-R686 PolarHBondContact O-NE 3.35Å; L681-L689 HydrophobicContact CD1-CD1 4.02Å; L681-A710 HydrophobicContact CD2-CB 3.66Å; L681-N713 HydrophobicContact CD2-CB 4.42Å; L681-L714 HydrophobicContact CD1-CD2 4.27Å; L681-L714 HydrophobicContact CD2-CG 4.49Å
682	S	90.8	Very high	87	Confident	62 Å²	62	61.6 Å²	61.6	43%	0.434	32%	0.318	S	S	.	.			trans	-66.3	156.3	172.2	64.4	0	0	0	0	111	E684 V685 R686	S682-E684 VanDerWaalsContact C-N 3.31Å; S682-E684 PolarHBondContact O-N 2.65Å; S682-V685 PolarHBondContact O-N 2.88Å; S682-V685 WeakPolarHBondContact OG-CB 3.07Å; S682-V685 VanDerWaalsContact OG-CG2 3.31Å; S682-V685 WeakPolarHBondContact OG-CG2 3.35Å; S682-V685 PolarHBondContact OG-N 3.03Å; S682-R686 WeakPolarHBondContact O-CG 3.44Å; S682-R686 PolarHBondContact O-N 2.93Å
683	Q	89.9	Confident	87	Confident	109 Å²	109	65.4 Å²	65.4	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-42.4	179.1	-172.4	63.1	13.5	0	0	112.1	V685 R686 E687	Q683-V685 VanDerWaalsContact C-N 3.34Å; Q683-V685 PolarHBondContact O-N 2.94Å; Q683-R686 WeakPolarHBondContact O-CB 3.42Å; Q683-R686 PolarHBondContact O-N 3.49Å; Q683-R686 VanDerWaalsContact O-N 3.15Å; Q683-E687 WeakPolarHBondContact O-CG 3.47Å; Q683-E687 PolarHBondContact O-N 3.42Å
684	E	91.1	Very high	86.9	Confident	125 Å²	125	62.6 Å²	62.6	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-57.8	-44.2	175.9	-176.5	-178.2	-173.2	0	0	112.1	S682 R686 E687 I688	S682-E684 VanDerWaalsContact C-N 3.31Å; S682-E684 PolarHBondContact O-N 2.65Å; E684-R686 VanDerWaalsContact C-N 3.35Å; E684-R686 PolarHBondContact O-N 3.21Å; E684-E687 PolarHBondContact O-N 3.19Å; E684-I688 HydrophobicContact CG-CD1 4.04Å; E684-I688 WeakPolarHBondContact O-CD1 3.31Å; E684-I688 VanDerWaalsContact O-CG1 3.25Å; E684-I688 WeakPolarHBondContact O-CG1 3.32Å; E684-I688 PolarHBondContact O-N 3.35Å
685	V	91.4	Very high	86.6	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-39.9	177.5	164	0	0	0	0	111.2	L681 S682 Q683 I688 L689 M706 A710	L681-V685 HydrophobicContact CB-CG1 4.3Å; L681-V685 HydrophobicContact CD2-CG1 4.08Å; S682-V685 PolarHBondContact O-N 2.88Å; S682-V685 WeakPolarHBondContact OG-CB 3.07Å; S682-V685 VanDerWaalsContact OG-CG2 3.31Å; S682-V685 WeakPolarHBondContact OG-CG2 3.35Å; S682-V685 PolarHBondContact OG-N 3.03Å; Q683-V685 VanDerWaalsContact C-N 3.34Å; Q683-V685 PolarHBondContact O-N 2.94Å; V685-I688 PolarHBondContact O-N 3.07Å; V685-L689 HydrophobicContact CG1-CD1 3.78Å; V685-L689 HydrophobicContact CG1-CG 4.32Å; V685-L689 WeakPolarHBondContact O-CB 3.47Å; V685-L689 VanDerWaalsContact O-CG 3.28Å; V685-L689 WeakPolarHBondContact O-CG 3.36Å; V685-L689 PolarHBondContact O-N 3.35Å; V685-M706 HydrophobicContact CB-SD 4.49Å; V685-M706 HydrophobicContact CG1-CE 3.97Å; V685-M706 HydrophobicContact CG1-SD 3.79Å; V685-M706 HydrophobicContact CG2-SD 4.36Å; V685-A710 HydrophobicContact CG1-CB 3.8Å; V685-A710 HydrophobicContact CG2-CB 4.22Å
686	R	91.5	Very high	86.5	Confident	32 Å²	32	61.8 Å²	61.8	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.6	-66.8	178	-178.3	-96.6	9.3	111.1	Y674 F675 L677 V679 L681 S682 Q683 E684 I688 L689 D690	Y674-R686 VanDerWaalsContact O-CD 3.32Å; Y674-R686 WeakPolarHBondContact O-CD 3.3Å; Y674-R686 VanDerWaalsContact O-CG 3.25Å; Y674-R686 WeakPolarHBondContact O-CG 3.39Å; Y674-R686 PolarHBondContact O-NH1 3.35Å; F675-R686 HydrophobicContact CD1-CB 4.18Å; F675-R686 HydrophobicContact CE1-CB 4.22Å; F675-R686 PolarHBondContact O-NH1 2.98Å; F675-R686 VanDerWaalsContact O-NH1 3.15Å; L677-R686 PolarHBondContact O-NH1 3.34Å; L677-R686 PolarHBondContact O-NH2 2.93Å; V679-R686 PolarHBondContact O-NH2 2.99Å; L681-R686 HydrophobicContact CB-CG 3.89Å; L681-R686 HydrophobicContact CD1-CG 4.42Å; L681-R686 PolarHBondContact O-NE 3.35Å; S682-R686 WeakPolarHBondContact O-CG 3.44Å; S682-R686 PolarHBondContact O-N 2.93Å; Q683-R686 WeakPolarHBondContact O-CB 3.42Å; Q683-R686 PolarHBondContact O-N 3.49Å; Q683-R686 VanDerWaalsContact O-N 3.15Å; E684-R686 VanDerWaalsContact C-N 3.35Å; E684-R686 PolarHBondContact O-N 3.21Å; R686-I688 PolarHBondContact O-N 3.47Å; R686-L689 PolarHBondContact O-N 2.9Å; R686-D690 WeakPolarHBondContact O-CB 3.38Å; R686-D690 PolarHBondContact O-N 3.45Å
687	E	89.8	Confident	86.5	Confident	104 Å²	104	56.9 Å²	56.9	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-41.4	175.3	-71.3	172	-167.5	0	0	112.4	F675 Q683 E684 R691	F675-E687 HydrophobicContact CE1-CG 4.05Å; F675-E687 HydrophobicContact CZ-CG 4.17Å; Q683-E687 WeakPolarHBondContact O-CG 3.47Å; Q683-E687 PolarHBondContact O-N 3.42Å; E684-E687 PolarHBondContact O-N 3.19Å; E687-R691 WeakPolarHBondContact O-CB 3.31Å; E687-R691 PolarHBondContact O-N 3.14Å
688	I	87.9	Confident	86.5	Confident	22 Å²	22	56.5 Å²	56.5	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-50.7	175.3	-69.5	162.4	0	0	0	110.3	E684 V685 R686 D690 R691 F692 L703 M706	E684-I688 HydrophobicContact CG-CD1 4.04Å; E684-I688 WeakPolarHBondContact O-CD1 3.31Å; E684-I688 VanDerWaalsContact O-CG1 3.25Å; E684-I688 WeakPolarHBondContact O-CG1 3.32Å; E684-I688 PolarHBondContact O-N 3.35Å; V685-I688 PolarHBondContact O-N 3.07Å; R686-I688 PolarHBondContact O-N 3.47Å; I688-D690 PolarHBondContact O-N 3Å; I688-R691 PolarHBondContact O-N 3.34Å; I688-F692 HydrophobicContact CG2-CD2 4.03Å; I688-F692 HydrophobicContact CG2-CE2 4.46Å; I688-F692 WeakPolarHBondContact O-CB 3.28Å; I688-F692 VanDerWaalsContact O-CD2 3.31Å; I688-F692 WeakPolarHBondContact O-CD2 3.43Å; I688-F692 PolarHBondContact O-N 3.44Å; I688-L703 HydrophobicContact CG2-CB 3.97Å; I688-L703 HydrophobicContact CG2-CD1 3.96Å; I688-M706 HydrophobicContact CG2-CG 4.35Å; I688-M706 HydrophobicContact CG2-SD 4.15Å
689	L	88.1	Confident	86.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-41.4	-178.9	-69.3	167.9	0	0	0	112.1	Y674 L681 V685 R686 R693 P694 A700 M706 L714	Y674-L689 HydrophobicContact CD1-CB 3.53Å; Y674-L689 HydrophobicContact CD1-CD1 3.72Å; Y674-L689 HydrophobicContact CD1-CG 4.19Å; Y674-L689 HydrophobicContact CD2-CB 3.92Å; Y674-L689 HydrophobicContact CE1-CB 3.72Å; Y674-L689 HydrophobicContact CE1-CD1 3.95Å; Y674-L689 HydrophobicContact CE1-CD2 4.32Å; Y674-L689 HydrophobicContact CE1-CG 4.22Å; Y674-L689 HydrophobicContact CE2-CB 4.08Å; Y674-L689 WeakPolarHBondContact CE2-O 3.44Å; Y674-L689 HydrophobicContact CG-CB 3.63Å; L681-L689 HydrophobicContact CD1-CD1 4.02Å; V685-L689 HydrophobicContact CG1-CD1 3.78Å; V685-L689 HydrophobicContact CG1-CG 4.32Å; V685-L689 WeakPolarHBondContact O-CB 3.47Å; V685-L689 VanDerWaalsContact O-CG 3.28Å; V685-L689 WeakPolarHBondContact O-CG 3.36Å; V685-L689 PolarHBondContact O-N 3.35Å; R686-L689 PolarHBondContact O-N 2.9Å; L689-R693 VanDerWaalsContact O-CA 3.3Å; L689-R693 WeakPolarHBondContact O-CA 3.46Å; L689-R693 PolarHBondContact O-N 2.97Å; L689-P694 HydrophobicContact CD2-CG 3.76Å; L689-P694 WeakPolarHBondContact O-CD 3.3Å; L689-A700 HydrophobicContact CD2-CB 4.07Å; L689-M706 HydrophobicContact CD1-CE 4.29Å; L689-M706 HydrophobicContact CD2-CE 3.83Å; L689-M706 HydrophobicContact CD2-SD 4.05Å; L689-M706 HydrophobicContact CG-CE 4.19Å; L689-M706 HydrophobicContact CG-SD 4.1Å; L689-L714 HydrophobicContact CD1-CD1 3.85Å; L689-L714 HydrophobicContact CD1-CD2 4.42Å; L689-L714 HydrophobicContact CD2-CD1 4.14Å
690	D	86.6	Confident	86.6	Confident	50 Å²	50	50.6 Å²	50.6	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-41.1	177.3	-173.9	59.6	0	0	0	112.3	Y674 F675 R686 I688 R693	Y674-D690 HydrophobicContact CD2-CB 4.33Å; F675-D690 HydrophobicContact CE2-CB 3.82Å; F675-D690 HydrophobicContact CZ-CB 4.21Å; R686-D690 WeakPolarHBondContact O-CB 3.38Å; R686-D690 PolarHBondContact O-N 3.45Å; I688-D690 PolarHBondContact O-N 3Å; D690-R693 WeakPolarHBondContact O-CD 3.28Å; D690-R693 VanDerWaalsContact O-CG 3.3Å; D690-R693 WeakPolarHBondContact O-CG 3.32Å; D690-R693 PolarHBondContact O-NE 3.07Å; D690-R693 IonicContact OD1-CZ 3.6Å; D690-R693 VanDerWaalsContact OD1-CZ 3.25Å; D690-R693 IonicContact OD1-NE 3.59Å; D690-R693 PolarHBondContact OD1-NE 3.27Å; D690-R693 IonicContact OD1-NH2 2.76Å; D690-R693 PolarHBondContact OD1-NH2 2.87Å
691	R	82.6	Confident	86.6	Confident	202 Å²	202	48.5 Å²	48.5	76%	0.762	23%	0.234	S	C	*	.	H	α-helix	trans	-66.9	-42.9	178.3	-179.2	179.5	179.3	-178.1	1	112.8	E687 I688	E687-R691 WeakPolarHBondContact O-CB 3.31Å; E687-R691 PolarHBondContact O-N 3.14Å; I688-R691 PolarHBondContact O-N 3.34Å
692	F	79.1	Confident	86.2	Confident	51 Å²	51	49.9 Å²	49.9	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-92.2	-23.3	-173.4	-76.6	-86.5	0	0	0	113.6	T450 K459 I688 L703	T450-F692 HydrophobicContact CG2-CE1 4.34Å; K459-F692 PolarHBondContact NZ-O 3.17Å; I688-F692 HydrophobicContact CG2-CD2 4.03Å; I688-F692 HydrophobicContact CG2-CE2 4.46Å; I688-F692 WeakPolarHBondContact O-CB 3.28Å; I688-F692 VanDerWaalsContact O-CD2 3.31Å; I688-F692 WeakPolarHBondContact O-CD2 3.43Å; I688-F692 PolarHBondContact O-N 3.44Å; F692-L703 HydrophobicContact CB-CD1 3.73Å; F692-L703 HydrophobicContact CB-CD2 3.87Å; F692-L703 HydrophobicContact CB-CG 4.48Å; F692-L703 HydrophobicContact CD1-CD2 3.76Å; F692-L703 HydrophobicContact CD2-CD1 4.46Å; F692-L703 HydrophobicContact CD2-CD2 4.25Å; F692-L703 HydrophobicContact CE1-CD2 4.34Å; F692-L703 HydrophobicContact CG-CD1 4.21Å; F692-L703 HydrophobicContact CG-CD2 3.71Å
693	R	82.3	Confident	85.9	Confident	90 Å²	90	47.5 Å²	47.5	34%	0.34	22%	0.22	S	C	.	.			trans	42.1	65.9	-176.3	-64.4	-62.5	-172.5	142.4	-15.9	111.6	Q670 I672 L689 D690 T695	Q670-R693 PolarHBondContact O-NH1 3.25Å; I672-R693 PolarHBondContact O-NH1 2.79Å; L689-R693 VanDerWaalsContact O-CA 3.3Å; L689-R693 WeakPolarHBondContact O-CA 3.46Å; L689-R693 PolarHBondContact O-N 2.97Å; D690-R693 WeakPolarHBondContact O-CD 3.28Å; D690-R693 VanDerWaalsContact O-CG 3.3Å; D690-R693 WeakPolarHBondContact O-CG 3.32Å; D690-R693 PolarHBondContact O-NE 3.07Å; D690-R693 IonicContact OD1-CZ 3.6Å; D690-R693 VanDerWaalsContact OD1-CZ 3.25Å; D690-R693 IonicContact OD1-NE 3.59Å; D690-R693 PolarHBondContact OD1-NE 3.27Å; D690-R693 IonicContact OD1-NH2 2.76Å; D690-R693 PolarHBondContact OD1-NH2 2.87Å; R693-T695 PolarHBondContact O-N 2.9Å
694	P	83.9	Confident	85.6	Confident	10 Å²	10	51.1 Å²	51.1	7%	0.065	24%	0.237	C	C	.	.			trans	-63.6	134.5	-179.6	27.1	-33.2	0	0	0	110.6	L668 L689 T696 A699 A700 L703	L668-P694 HydrophobicContact CD1-CB 4.45Å; L668-P694 HydrophobicContact CD1-CG 4.04Å; L689-P694 HydrophobicContact CD2-CG 3.76Å; L689-P694 WeakPolarHBondContact O-CD 3.3Å; P694-T696 VanDerWaalsContact C-N 3.31Å; P694-A699 HydrophobicContact CB-CB 4.05Å; P694-A700 HydrophobicContact CB-CB 4.05Å; P694-A700 HydrophobicContact CG-CB 3.8Å; P694-L703 HydrophobicContact CB-CD1 4.39Å; P694-L703 HydrophobicContact CG-CD1 4.17Å
695	T	80.1	Confident	85.3	Confident	44 Å²	44	46.9 Å²	46.9	27%	0.27	23%	0.227	S	C	.	.	S	Bend	trans	-79.1	-16.9	-179	50.8	0	0	0	0	113.2	L668 R693	L668-T695 PolarHBondContact N-O 3.3Å; R693-T695 PolarHBondContact O-N 2.9Å
696	T	85.9	Confident	85.2	Confident	28 Å²	28	48.1 Å²	48.1	17%	0.172	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-141.6	156.7	-176.9	68.2	0	0	0	0	110.5	E664 M666 P694 G698 A699 A700	E664-T696 WeakPolarHBondContact O-CB 3.2Å; E664-T696 WeakPolarHBondContact O-CG2 3.33Å; M666-T696 CarbonylContact O-C 3.4Å; M666-T696 WeakPolarHBondContact O-CA 3.22Å; P694-T696 VanDerWaalsContact C-N 3.31Å; T696-G698 VanDerWaalsContact C-N 3.29Å; T696-G698 PolarHBondContact O-N 3.32Å; T696-A699 PolarHBondContact O-N 2.89Å; T696-A699 WeakPolarHBondContact OG1-CB 3.42Å; T696-A699 PolarHBondContact OG1-N 3.07Å; T696-A700 PolarHBondContact O-N 2.86Å; T696-A700 VanDerWaalsContact O-N 3.14Å
697	L	86.6	Confident	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-41.8	174.9	-176.2	70.6	0	0	0	111.1	E663 M666 A699 A700 T701 I711 L714 F715	E663-L697 HydrophobicContact CG-CD2 4.23Å; M666-L697 HydrophobicContact CB-CB 3.97Å; M666-L697 PolarHBondContact O-N 3.03Å; M666-L697 HydrophobicContact SD-CD2 4.01Å; L697-A699 VanDerWaalsContact C-N 3.29Å; L697-A699 PolarHBondContact O-N 3.32Å; L697-A700 WeakPolarHBondContact O-CA 3.12Å; L697-A700 WeakPolarHBondContact O-CB 3.44Å; L697-A700 PolarHBondContact O-N 3.32Å; L697-T701 PolarHBondContact O-N 3.4Å; L697-T701 PolarHBondContact O-OG1 3.12Å; L697-I711 HydrophobicContact CD1-CG2 4.25Å; L697-I711 HydrophobicContact CG-CG2 4.48Å; L697-L714 HydrophobicContact CD1-CB 3.68Å; L697-F715 HydrophobicContact CD2-CB 3.75Å; L697-F715 HydrophobicContact CD2-CD2 3.59Å; L697-F715 HydrophobicContact CD2-CG 4.16Å
698	G	85.4	Confident	85	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-41.5	176.3	0	0	0	0	0	112.8	E663 T696 A700 T701 R702	E663-G698 PolarHBondContact O-N 3.5Å; T696-G698 VanDerWaalsContact C-N 3.29Å; T696-G698 PolarHBondContact O-N 3.32Å; G698-A700 VanDerWaalsContact C-N 3.35Å; G698-T701 PolarHBondContact O-N 2.7Å; G698-R702 PolarHBondContact O-NH1 2.94Å
699	A	81.5	Confident	85	Confident	14 Å²	14	52.1 Å²	52.1	12%	0.116	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-39.1	175.2	0	0	0	0	0	111.9	P694 T696 L697 T701 R702	P694-A699 HydrophobicContact CB-CB 4.05Å; T696-A699 PolarHBondContact O-N 2.89Å; T696-A699 WeakPolarHBondContact OG1-CB 3.42Å; T696-A699 PolarHBondContact OG1-N 3.07Å; L697-A699 VanDerWaalsContact C-N 3.29Å; L697-A699 PolarHBondContact O-N 3.32Å; A699-T701 PolarHBondContact O-N 2.94Å; A699-R702 PolarHBondContact O-N 2.92Å
700	A	86.8	Confident	85.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-43.3	176	0	0	0	0	0	111.8	L668 L689 P694 T696 L697 G698 R702 L703 M706 I711	L668-A700 HydrophobicContact CD1-CB 4.31Å; L689-A700 HydrophobicContact CD2-CB 4.07Å; P694-A700 HydrophobicContact CB-CB 4.05Å; P694-A700 HydrophobicContact CG-CB 3.8Å; T696-A700 PolarHBondContact O-N 2.86Å; T696-A700 VanDerWaalsContact O-N 3.14Å; L697-A700 WeakPolarHBondContact O-CA 3.12Å; L697-A700 WeakPolarHBondContact O-CB 3.44Å; L697-A700 PolarHBondContact O-N 3.32Å; G698-A700 VanDerWaalsContact C-N 3.35Å; A700-R702 PolarHBondContact O-N 3.3Å; A700-L703 PolarHBondContact O-N 2.65Å; A700-L703 VanDerWaalsContact O-N 3.13Å; A700-M706 VanDerWaalsContact O-CG 3.29Å; A700-M706 WeakPolarHBondContact O-CG 3.29Å; A700-I711 HydrophobicContact CB-CD1 4.15Å
701	T	86.8	Confident	85.3	Confident	57 Å²	57	50.8 Å²	50.8	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-54.6	-24	179.4	-53.4	0	0	0	0	113.8	L697 G698 A699 I711	L697-T701 PolarHBondContact O-N 3.4Å; L697-T701 PolarHBondContact O-OG1 3.12Å; G698-T701 PolarHBondContact O-N 2.7Å; A699-T701 PolarHBondContact O-N 2.94Å; T701-I711 HydrophobicContact CG2-CG1 4.4Å; T701-I711 WeakPolarHBondContact OG1-CG2 3.49Å
702	R	82.3	Confident	85.5	Confident	47 Å²	47	43.4 Å²	43.4	18%	0.177	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-4.9	-173.5	-63.3	-175.8	-71.4	-96.8	16.4	114.3	D514 E664 G698 A699 A700	D514-R702 IonicContact OD1-CZ 2.84Å; D514-R702 IonicContact OD1-NE 3.41Å; D514-R702 PolarHBondContact OD1-NE 3.48Å; D514-R702 IonicContact OD1-NH2 3.4Å; D514-R702 PolarHBondContact OD1-NH2 2.86Å; D514-R702 WeakPolarHBondContact OD2-CD 3.03Å; D514-R702 IonicContact OD2-CZ 3.69Å; D514-R702 IonicContact OD2-NE 2.68Å; D514-R702 PolarHBondContact OD2-NE 2.9Å; D514-R702 IonicContact OD2-NH2 2.65Å; E664-R702 IonicContact OE1-CZ 2.65Å; E664-R702 IonicContact OE1-NH1 3.14Å; E664-R702 PolarHBondContact OE1-NH1 3.39Å; E664-R702 IonicContact OE1-NH2 3.01Å; E664-R702 PolarHBondContact OE1-NH2 3.34Å; G698-R702 PolarHBondContact O-NH1 2.94Å; A699-R702 PolarHBondContact O-N 2.92Å; A700-R702 PolarHBondContact O-N 3.3Å
703	L	85.1	Confident	86	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.063	26%	0.256	C	S	.	.	S	Bend	trans	-69	138	176.3	-63.3	175	0	0	0	110.1	I688 F692 P694 A700 G705 M706	I688-L703 HydrophobicContact CG2-CB 3.97Å; I688-L703 HydrophobicContact CG2-CD1 3.96Å; F692-L703 HydrophobicContact CB-CD1 3.73Å; F692-L703 HydrophobicContact CB-CD2 3.87Å; F692-L703 HydrophobicContact CB-CG 4.48Å; F692-L703 HydrophobicContact CD1-CD2 3.76Å; F692-L703 HydrophobicContact CD2-CD1 4.46Å; F692-L703 HydrophobicContact CD2-CD2 4.25Å; F692-L703 HydrophobicContact CE1-CD2 4.34Å; F692-L703 HydrophobicContact CG-CD1 4.21Å; F692-L703 HydrophobicContact CG-CD2 3.71Å; P694-L703 HydrophobicContact CB-CD1 4.39Å; P694-L703 HydrophobicContact CG-CD1 4.17Å; A700-L703 PolarHBondContact O-N 2.65Å; A700-L703 VanDerWaalsContact O-N 3.13Å; L703-G705 PolarHBondContact O-N 2.68Å; L703-M706 HydrophobicContact CB-CG 3.68Å; L703-M706 WeakPolarHBondContact O-CB 3.25Å; L703-M706 PolarHBondContact O-N 3.42Å
704	Q	82.9	Confident	86.3	Confident	184 Å²	184	39.1 Å²	39.1	86%	0.86	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	128.3	177.3	-173.9	177.9	-12.5	0	0	109.8
705	G	84.8	Confident	86.5	Confident	36 Å²	36	42.1 Å²	42.1	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-4.3	-177.2	0	0	0	0	0	114.6	L703	L703-G705 PolarHBondContact O-N 2.68Å
706	M	89.9	Confident	86.8	Confident	28 Å²	28	43.6 Å²	43.6	14%	0.138	26%	0.257	C	S	.	.			trans	-75.1	137.7	174.1	-68.9	-64.5	-64.7	0	0	112.1	V685 I688 L689 A700 L703 A710 I711 L714	V685-M706 HydrophobicContact CB-SD 4.49Å; V685-M706 HydrophobicContact CG1-CE 3.97Å; V685-M706 HydrophobicContact CG1-SD 3.79Å; V685-M706 HydrophobicContact CG2-SD 4.36Å; I688-M706 HydrophobicContact CG2-CG 4.35Å; I688-M706 HydrophobicContact CG2-SD 4.15Å; L689-M706 HydrophobicContact CD1-CE 4.29Å; L689-M706 HydrophobicContact CD2-CE 3.83Å; L689-M706 HydrophobicContact CD2-SD 4.05Å; L689-M706 HydrophobicContact CG-CE 4.19Å; L689-M706 HydrophobicContact CG-SD 4.1Å; A700-M706 VanDerWaalsContact O-CG 3.29Å; A700-M706 WeakPolarHBondContact O-CG 3.29Å; L703-M706 HydrophobicContact CB-CG 3.68Å; L703-M706 WeakPolarHBondContact O-CB 3.25Å; L703-M706 PolarHBondContact O-N 3.42Å; M706-A710 HydrophobicContact CE-CB 4.11Å; M706-I711 HydrophobicContact CB-CD1 4.49Å; M706-I711 HydrophobicContact CE-CD1 3.45Å; M706-I711 VanDerWaalsContact CE-CD1 3.45Å; M706-I711 HydrophobicContact CE-CG1 4.41Å; M706-L714 HydrophobicContact CE-CD1 4.04Å
707	T	89.2	Confident	86.7	Confident	62 Å²	62	45.2 Å²	45.2	38%	0.38	26%	0.261	S	S	.	.			trans	-104.1	149.7	179.8	64.7	0	0	0	0	111.6	A709 A710 I711	T707-A709 PolarHBondContact O-N 3.17Å; T707-A710 WeakPolarHBondContact O-CB 3.47Å; T707-A710 PolarHBondContact O-N 3.22Å; T707-A710 VanDerWaalsContact O-N 3.08Å; T707-A710 WeakPolarHBondContact OG1-CB 3.5Å; T707-A710 PolarHBondContact OG1-N 3.16Å; T707-I711 PolarHBondContact O-N 3.17Å; T707-I711 VanDerWaalsContact O-N 3.14Å
708	P	87.3	Confident	86.6	Confident	115 Å²	115	45.6 Å²	45.6	75%	0.747	26%	0.263	S	S	*	.	H	α-helix	trans	-55.8	-35.8	175.7	-27.4	35.5	0	0	0	113.4	I711 A712	P708-I711 PolarHBondContact O-N 3.43Å; P708-A712 PolarHBondContact O-N 3.22Å
709	A	88.9	Confident	86.5	Confident	64 Å²	64	49 Å²	49	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-43.4	176.3	0	0	0	0	0	112.3	T707 I711 A712 N713	T707-A709 PolarHBondContact O-N 3.17Å; A709-I711 VanDerWaalsContact C-N 3.32Å; A709-I711 PolarHBondContact O-N 2.71Å; A709-A712 PolarHBondContact O-N 3.43Å; A709-N713 WeakPolarHBondContact O-CB 3.37Å; A709-N713 VanDerWaalsContact O-CG 3.24Å; A709-N713 PolarHBondContact O-N 3.44Å; A709-N713 PolarHBondContact O-ND2 3.27Å
710	A	90.3	Very high	86.5	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-41.1	175.5	0	0	0	0	0	112.2	L681 V685 M706 T707 N713 L714	L681-A710 HydrophobicContact CD2-CB 3.66Å; V685-A710 HydrophobicContact CG1-CB 3.8Å; V685-A710 HydrophobicContact CG2-CB 4.22Å; M706-A710 HydrophobicContact CE-CB 4.11Å; T707-A710 WeakPolarHBondContact O-CB 3.47Å; T707-A710 PolarHBondContact O-N 3.22Å; T707-A710 VanDerWaalsContact O-N 3.08Å; T707-A710 WeakPolarHBondContact OG1-CB 3.5Å; T707-A710 PolarHBondContact OG1-N 3.16Å; A710-N713 PolarHBondContact O-N 3.16Å; A710-L714 WeakPolarHBondContact O-CB 3.48Å; A710-L714 WeakPolarHBondContact O-CG 3.23Å; A710-L714 PolarHBondContact O-N 3.41Å
711	I	89	Confident	86.1	Confident	19 Å²	19	56.3 Å²	56.3	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-43.8	177.6	-59.9	-56.2	0	0	0	111.4	L697 A700 T701 M706 T707 P708 A709 N713 L714 F715	L697-I711 HydrophobicContact CD1-CG2 4.25Å; L697-I711 HydrophobicContact CG-CG2 4.48Å; A700-I711 HydrophobicContact CB-CD1 4.15Å; T701-I711 HydrophobicContact CG2-CG1 4.4Å; T701-I711 WeakPolarHBondContact OG1-CG2 3.49Å; M706-I711 HydrophobicContact CB-CD1 4.49Å; M706-I711 HydrophobicContact CE-CD1 3.45Å; M706-I711 VanDerWaalsContact CE-CD1 3.45Å; M706-I711 HydrophobicContact CE-CG1 4.41Å; T707-I711 PolarHBondContact O-N 3.17Å; T707-I711 VanDerWaalsContact O-N 3.14Å; P708-I711 PolarHBondContact O-N 3.43Å; A709-I711 VanDerWaalsContact C-N 3.32Å; A709-I711 PolarHBondContact O-N 2.71Å; I711-N713 VanDerWaalsContact C-N 3.29Å; I711-N713 PolarHBondContact O-N 3.1Å; I711-L714 PolarHBondContact O-N 2.66Å; I711-F715 VanDerWaalsContact O-CB 3.28Å; I711-F715 WeakPolarHBondContact O-CB 3.44Å; I711-F715 PolarHBondContact O-N 3.33Å
712	A	88.1	Confident	85.4	Confident	47 Å²	47	58.8 Å²	58.8	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-40.5	175.4	0	0	0	0	0	111.9	P708 A709 F715 N716	P708-A712 PolarHBondContact O-N 3.22Å; A709-A712 PolarHBondContact O-N 3.43Å; A712-F715 WeakPolarHBondContact O-CB 3.49Å; A712-F715 PolarHBondContact O-N 2.83Å; A712-N716 VanDerWaalsContact O-CG 3.28Å; A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 PolarHBondContact O-ND2 3.38Å
713	N	89.6	Confident	84.9	Confident	52 Å²	52	63.2 Å²	63.2	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-42.3	178	-74.4	-16.9	0	0	0	112.3	V679 S680 L681 A709 A710 I711 N716 Y717	V679-N713 HydrophobicContact CG1-CB 3.5Å; S680-N713 PolarHBondContact O-ND2 2.85Å; L681-N713 HydrophobicContact CD2-CB 4.42Å; A709-N713 WeakPolarHBondContact O-CB 3.37Å; A709-N713 VanDerWaalsContact O-CG 3.24Å; A709-N713 PolarHBondContact O-N 3.44Å; A709-N713 PolarHBondContact O-ND2 3.27Å; A710-N713 PolarHBondContact O-N 3.16Å; I711-N713 VanDerWaalsContact C-N 3.29Å; I711-N713 PolarHBondContact O-N 3.1Å; N713-N716 PolarHBondContact O-N 3.14Å; N713-Y717 PolarHBondContact O-N 3.39Å
714	L	87.8	Confident	84.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-41.2	172.6	-75.8	170.1	0	0	0	112.3	L677 L681 L689 L697 M706 A710 I711 N716 Y717 V718	L677-L714 HydrophobicContact CD2-CD2 3.92Å; L681-L714 HydrophobicContact CD1-CD2 4.27Å; L681-L714 HydrophobicContact CD2-CG 4.49Å; L689-L714 HydrophobicContact CD1-CD1 3.85Å; L689-L714 HydrophobicContact CD1-CD2 4.42Å; L689-L714 HydrophobicContact CD2-CD1 4.14Å; L697-L714 HydrophobicContact CD1-CB 3.68Å; M706-L714 HydrophobicContact CE-CD1 4.04Å; A710-L714 WeakPolarHBondContact O-CB 3.48Å; A710-L714 WeakPolarHBondContact O-CG 3.23Å; A710-L714 PolarHBondContact O-N 3.41Å; I711-L714 PolarHBondContact O-N 2.66Å; L714-N716 VanDerWaalsContact C-N 3.35Å; L714-N716 PolarHBondContact O-N 2.98Å; L714-Y717 WeakPolarHBondContact O-CB 3.33Å; L714-Y717 PolarHBondContact O-N 3.44Å; L714-V718 WeakPolarHBondContact O-CG2 3.17Å; L714-V718 PolarHBondContact O-N 3.44Å
715	F	87.6	Confident	83.5	Confident	73 Å²	73	68.4 Å²	68.4	32%	0.32	35%	0.347	S	S	.	.	H	α-helix	trans	-56.6	-50.1	175.1	175.1	-90.3	0	0	0	111	M666 L697 I711 A712 Y717 V718 H719	M666-F715 HydrophobicContact CE-CD2 4.18Å; M666-F715 HydrophobicContact CE-CE2 3.48Å; M666-F715 VanDerWaalsContact CE-CE2 3.48Å; M666-F715 HydrophobicContact CE-CZ 4.24Å; M666-F715 HydrophobicContact SD-CD2 3.69Å; M666-F715 HydrophobicContact SD-CE2 3.64Å; L697-F715 HydrophobicContact CD2-CB 3.75Å; L697-F715 HydrophobicContact CD2-CD2 3.59Å; L697-F715 HydrophobicContact CD2-CG 4.16Å; I711-F715 VanDerWaalsContact O-CB 3.28Å; I711-F715 WeakPolarHBondContact O-CB 3.44Å; I711-F715 PolarHBondContact O-N 3.33Å; A712-F715 WeakPolarHBondContact O-CB 3.49Å; A712-F715 PolarHBondContact O-N 2.83Å; F715-Y717 VanDerWaalsContact C-N 3.33Å; F715-Y717 PolarHBondContact O-N 2.94Å; F715-V718 PolarHBondContact O-N 3.49Å; F715-H719 WeakPolarHBondContact O-CB 3.15Å; F715-H719 PolarHBondContact O-N 3.3Å
716	N	86.2	Confident	82.7	Confident	74 Å²	74	69.6 Å²	69.6	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-58.8	-46.4	177.4	-73.2	-24.7	0	0	0	110.8	A712 N713 L714 V718 H719 F720	A712-N716 VanDerWaalsContact O-CG 3.28Å; A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 PolarHBondContact O-ND2 3.38Å; N713-N716 PolarHBondContact O-N 3.14Å; L714-N716 VanDerWaalsContact C-N 3.35Å; L714-N716 PolarHBondContact O-N 2.98Å; N716-V718 PolarHBondContact O-N 3.31Å; N716-H719 PolarHBondContact O-N 3.15Å; N716-F720 HydrophobicContact CB-CD2 4.3Å; N716-F720 HydrophobicContact CB-CE2 4.33Å; N716-F720 WeakPolarHBondContact O-CB 3.43Å; N716-F720 WeakPolarHBondContact O-CD2 3.38Å; N716-F720 PolarHBondContact O-N 3.19Å
717	Y	85.3	Confident	81.6	Confident	63 Å²	63	77 Å²	77	25%	0.247	38%	0.376	C	S	.	.	H	α-helix	trans	-56.2	-50.1	177.1	173.5	-98.3	0	0	0	112.7	I672 L677 V679 N713 L714 F715 H719 F720 T721	I672-Y717 HydrophobicContact CD1-CE1 4.24Å; L677-Y717 HydrophobicContact CD1-CD1 4.36Å; L677-Y717 HydrophobicContact CD1-CD2 4.25Å; L677-Y717 HydrophobicContact CD1-CE1 3.87Å; L677-Y717 HydrophobicContact CD1-CE2 3.74Å; V679-Y717 HydrophobicContact CG2-CD2 3.76Å; V679-Y717 HydrophobicContact CG2-CG 3.93Å; N713-Y717 PolarHBondContact O-N 3.39Å; L714-Y717 WeakPolarHBondContact O-CB 3.33Å; L714-Y717 PolarHBondContact O-N 3.44Å; F715-Y717 VanDerWaalsContact C-N 3.33Å; F715-Y717 PolarHBondContact O-N 2.94Å; Y717-H719 VanDerWaalsContact C-N 3.35Å; Y717-H719 PolarHBondContact O-N 3.14Å; Y717-F720 PolarHBondContact O-N 3.33Å; Y717-T721 WeakPolarHBondContact O-CB 3.35Å; Y717-T721 PolarHBondContact O-N 3.08Å; Y717-T721 PolarHBondContact O-OG1 2.91Å
718	V	84.4	Confident	80.3	Confident	8 Å²	8	82.9 Å²	82.9	5%	0.048	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-43.2	179.2	175.1	0	0	0	0	111	M666 L668 L714 F715 N716 T721 R722	M666-V718 HydrophobicContact CB-CG1 4.32Å; L668-V718 HydrophobicContact CD2-CG2 3.43Å; L668-V718 VanDerWaalsContact CD2-CG2 3.43Å; L714-V718 WeakPolarHBondContact O-CG2 3.17Å; L714-V718 PolarHBondContact O-N 3.44Å; F715-V718 PolarHBondContact O-N 3.49Å; N716-V718 PolarHBondContact O-N 3.31Å; V718-T721 PolarHBondContact O-N 2.89Å; V718-R722 WeakPolarHBondContact O-CB 3.4Å; V718-R722 PolarHBondContact O-N 3.44Å
719	H	82.4	Confident	79.2	Confident	70 Å²	70	84.2 Å²	84.2	32%	0.324	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-41.6	-179.3	-172.7	-93.5	0	0	0	112.4	F715 N716 Y717 R723	F715-H719 WeakPolarHBondContact O-CB 3.15Å; F715-H719 PolarHBondContact O-N 3.3Å; N716-H719 PolarHBondContact O-N 3.15Å; Y717-H719 VanDerWaalsContact C-N 3.35Å; Y717-H719 PolarHBondContact O-N 3.14Å; H719-R723 PolarHBondContact CE1-NE 3.06Å; H719-R723 VanDerWaalsContact CE1-NE 3.35Å; H719-R723 PolarHBondContact O-N 3.39Å; H719-R723 VanDerWaalsContact O-N 3.15Å
720	F	81.5	Confident	77.8	Confident	125 Å²	125	87.2 Å²	87.2	55%	0.548	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-40.5	175.2	-81.5	-66.1	0	0	0	112.4	N716 Y717 R723 R724	N716-F720 HydrophobicContact CB-CD2 4.3Å; N716-F720 HydrophobicContact CB-CE2 4.33Å; N716-F720 WeakPolarHBondContact O-CB 3.43Å; N716-F720 WeakPolarHBondContact O-CD2 3.38Å; N716-F720 PolarHBondContact O-N 3.19Å; Y717-F720 PolarHBondContact O-N 3.33Å; F720-R723 PolarHBondContact O-N 3.15Å; F720-R724 PolarHBondContact O-N 3.39Å
721	T	78	Confident	76.3	Confident	44 Å²	44	89.2 Å²	89.2	27%	0.27	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-46.7	179.1	-51.1	0	0	0	0	110.9	Y717 V718 R723 R724 E725	Y717-T721 WeakPolarHBondContact O-CB 3.35Å; Y717-T721 PolarHBondContact O-N 3.08Å; Y717-T721 PolarHBondContact O-OG1 2.91Å; V718-T721 PolarHBondContact O-N 2.89Å; T721-R723 VanDerWaalsContact C-N 3.33Å; T721-R723 PolarHBondContact O-N 3.25Å; T721-R724 PolarHBondContact O-N 2.85Å; T721-R724 VanDerWaalsContact O-N 3.1Å; T721-E725 WeakPolarHBondContact O-CG 3.49Å; T721-E725 PolarHBondContact O-N 2.68Å
722	R	73.6	Confident	74.8	Confident	108 Å²	108	92 Å²	92	41%	0.408	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-40.7	174.2	-81.7	-174.5	166.8	178.1	-0.3	113	N665 S667 V718 E725 S726	N665-R722 PolarHBondContact O-NH2 3.32Å; S667-R722 PolarHBondContact OG-NH2 2.85Å; V718-R722 WeakPolarHBondContact O-CB 3.4Å; V718-R722 PolarHBondContact O-N 3.44Å; R722-E725 PolarHBondContact O-N 3.49Å; R722-S726 WeakPolarHBondContact O-CB 3.42Å; R722-S726 PolarHBondContact O-N 3.32Å; R722-S726 PolarHBondContact O-OG 3.22Å
723	R	71.6	Confident	73.2	Confident	140 Å²	140	95.9 Å²	95.9	53%	0.528	43%	0.43	S	S	.	.	H	α-helix	trans	-66.5	-34.7	176.2	-82.6	-175.1	167.5	-173.4	-2.5	113.1	H719 F720 T721 S726 R727	H719-R723 PolarHBondContact CE1-NE 3.06Å; H719-R723 VanDerWaalsContact CE1-NE 3.35Å; H719-R723 PolarHBondContact O-N 3.39Å; H719-R723 VanDerWaalsContact O-N 3.15Å; F720-R723 PolarHBondContact O-N 3.15Å; T721-R723 VanDerWaalsContact C-N 3.33Å; T721-R723 PolarHBondContact O-N 3.25Å; R723-S726 WeakPolarHBondContact CA-OG 3.28Å; R723-S726 PolarHBondContact O-OG 3.39Å; R723-R727 WeakPolarHBondContact O-CB 3.35Å; R723-R727 VanDerWaalsContact O-CG 3.29Å; R723-R727 WeakPolarHBondContact O-CG 3.43Å; R723-R727 PolarHBondContact O-N 2.95Å; R723-R727 VanDerWaalsContact O-N 3.14Å
724	R	70.4	Confident	71.6	Confident	199 Å²	199	100.4 Å²	100.4	75%	0.751	45%	0.449	S	S	*	.	H	α-helix	trans	-69.6	-43.6	174.1	-73	-178.6	94.8	171.8	6.3	110.8	F720 T721 R727 R728	F720-R724 PolarHBondContact O-N 3.39Å; T721-R724 PolarHBondContact O-N 2.85Å; T721-R724 VanDerWaalsContact O-N 3.1Å; R724-R727 PolarHBondContact O-N 2.84Å; R724-R728 WeakPolarHBondContact O-CB 3Å; R724-R728 PolarHBondContact O-N 3.1Å
725	E	67.9	Low	69.8	Low	107 Å²	107	107 Å²	107	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-63	-42.3	176.5	-71.7	176.2	176.2	0	0	112.5	T721 R722 R728 K729	T721-E725 WeakPolarHBondContact O-CG 3.49Å; T721-E725 PolarHBondContact O-N 2.68Å; R722-E725 PolarHBondContact O-N 3.49Å; E725-R728 PolarHBondContact O-N 2.88Å; E725-K729 WeakPolarHBondContact O-CG 3.48Å; E725-K729 PolarHBondContact O-N 2.88Å
726	S	68.4	Low	68.1	Low	61 Å²	61	110.6 Å²	110.6	43%	0.427	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.9	67.7	0	0	0	0	111.9	R722 R723 Q730	R722-S726 WeakPolarHBondContact O-CB 3.42Å; R722-S726 PolarHBondContact O-N 3.32Å; R722-S726 PolarHBondContact O-OG 3.22Å; R723-S726 WeakPolarHBondContact CA-OG 3.28Å; R723-S726 PolarHBondContact O-OG 3.39Å; S726-Q730 WeakPolarHBondContact O-CB 3.35Å; S726-Q730 PolarHBondContact O-N 2.85Å; S726-Q730 VanDerWaalsContact O-N 3.09Å
727	R	65.4	Low	66.4	Low	183 Å²	183	117.9 Å²	117.9	69%	0.691	52%	0.52	S	S	*	.	H	α-helix	trans	-66.3	-36.8	175.5	-77.2	178.2	175.8	-172.6	-2.7	112.5	R723 R724 Q730 A731	R723-R727 WeakPolarHBondContact O-CB 3.35Å; R723-R727 VanDerWaalsContact O-CG 3.29Å; R723-R727 WeakPolarHBondContact O-CG 3.43Å; R723-R727 PolarHBondContact O-N 2.95Å; R723-R727 VanDerWaalsContact O-N 3.14Å; R724-R727 PolarHBondContact O-N 2.84Å; R727-Q730 PolarHBondContact O-N 2.96Å; R727-A731 PolarHBondContact O-N 3.21Å
728	R	62.4	Low	64.5	Low	186 Å²	186	117.9 Å²	117.9	70%	0.702	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-45.4	177.8	-155.7	174	-171.6	177.6	1	111.4	R724 E725 Q730 A731 D732	R724-R728 WeakPolarHBondContact O-CB 3Å; R724-R728 PolarHBondContact O-N 3.1Å; E725-R728 PolarHBondContact O-N 2.88Å; R728-Q730 PolarHBondContact O-N 3.32Å; R728-A731 PolarHBondContact O-N 2.91Å; R728-A731 VanDerWaalsContact O-N 3.14Å; R728-D732 PolarHBondContact O-N 2.87Å
729	K	63.3	Low	62.6	Low	143 Å²	143	125.8 Å²	125.8	62%	0.622	58%	0.575	S	S	*	*	H	α-helix	trans	-61.5	-30.3	172.6	-72	-179.4	179	-176.8	0	113.6	E725 H733	E725-K729 WeakPolarHBondContact O-CG 3.48Å; E725-K729 PolarHBondContact O-N 2.88Å; K729-H733 WeakPolarHBondContact O-CB 3.45Å; K729-H733 PolarHBondContact O-N 3.29Å
730	Q	61	Low	60.5	Low	127 Å²	127	130.9 Å²	130.9	59%	0.593	60%	0.599	S	S	*	*	H	α-helix	trans	-74	-39.7	174.9	-126.7	161.6	-9.8	0	0	111.8	S726 R727 R728 H733 E734	S726-Q730 WeakPolarHBondContact O-CB 3.35Å; S726-Q730 PolarHBondContact O-N 2.85Å; S726-Q730 VanDerWaalsContact O-N 3.09Å; R727-Q730 PolarHBondContact O-N 2.96Å; R728-Q730 PolarHBondContact O-N 3.32Å; Q730-H733 PolarHBondContact O-N 3.23Å; Q730-E734 WeakPolarHBondContact O-CG 3.49Å; Q730-E734 PolarHBondContact O-N 3.45Å; Q730-E734 VanDerWaalsContact O-N 3.13Å
731	A	57.8	Low	58.6	Low	44 Å²	44	130.5 Å²	130.5	36%	0.364	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-42.9	173.9	0	0	0	0	0	112.2	R727 R728 H733 E734 E735	R727-A731 PolarHBondContact O-N 3.21Å; R728-A731 PolarHBondContact O-N 2.91Å; R728-A731 VanDerWaalsContact O-N 3.14Å; A731-H733 VanDerWaalsContact C-N 3.29Å; A731-H733 PolarHBondContact O-N 3.12Å; A731-E734 PolarHBondContact O-N 3.11Å; A731-E734 VanDerWaalsContact O-N 3.08Å; A731-E735 PolarHBondContact O-N 3.16Å
732	D	58.9	Low	56.7	Low	79 Å²	79	135 Å²	135	42%	0.422	64%	0.641	S	S	.	*	H	α-helix	trans	-63.3	-35.3	177.2	-61.5	-21.4	0	0	0	111.3	R728 E736	R728-D732 PolarHBondContact O-N 2.87Å; D732-E736 PolarHBondContact O-N 3.46Å
733	H	54.5	Low	55	Low	128 Å²	128	140.6 Å²	140.6	59%	0.593	66%	0.662	S	S	*	*	H	α-helix	trans	-74	-23	173.5	-93.8	-37.1	0	0	0	114.5	K729 Q730 A731 E736	K729-H733 WeakPolarHBondContact O-CB 3.45Å; K729-H733 PolarHBondContact O-N 3.29Å; Q730-H733 PolarHBondContact O-N 3.23Å; A731-H733 VanDerWaalsContact C-N 3.29Å; A731-H733 PolarHBondContact O-N 3.12Å; H733-E736 IonicContact ND1-OE2 2.99Å; H733-E736 PolarHBondContact ND1-OE2 3.14Å
734	E	54.6	Low	53.4	Low	146 Å²	146	145.2 Å²	145.2	68%	0.682	68%	0.679	S	S	*	*	H	α-helix	trans	-82.1	-34.6	172.8	-77.3	177.8	175.6	0	0	111.3	Q730 A731 R737 G738	Q730-E734 WeakPolarHBondContact O-CG 3.49Å; Q730-E734 PolarHBondContact O-N 3.45Å; Q730-E734 VanDerWaalsContact O-N 3.13Å; A731-E734 PolarHBondContact O-N 3.11Å; A731-E734 VanDerWaalsContact O-N 3.08Å; E734-R737 PolarHBondContact O-N 3.23Å; E734-G738 PolarHBondContact O-N 3.02Å; E734-G738 VanDerWaalsContact O-N 3.1Å
735	E	50.9	Low	51.8	Low	140 Å²	140	143.6 Å²	143.6	65%	0.654	69%	0.686	S	S	*	*	H	α-helix	trans	-67.6	-41	171.2	-80.7	-178.1	163.8	0	0	112.2	A731 R737 G738 E739	A731-E735 PolarHBondContact O-N 3.16Å; E735-R737 PolarHBondContact O-N 3.02Å; E735-G738 PolarHBondContact O-N 3.25Å; E735-E739 PolarHBondContact O-N 2.84Å
736	E	50.6	Low	50.3	Low	148 Å²	148	143.5 Å²	143.5	69%	0.692	70%	0.703	S	S	*	*	H	α-helix	trans	-63.8	-22.4	173.4	-83.5	-176	159.6	0	0	113.7	D732 H733	D732-E736 PolarHBondContact O-N 3.46Å; H733-E736 IonicContact ND1-OE2 2.99Å; H733-E736 PolarHBondContact ND1-OE2 3.14Å
737	R	50.5	Low	48.6	Very low	227 Å²	227	146 Å²	146	86%	0.857	72%	0.721	S	S	*	*	H	α-helix	trans	-89	-15.8	171	-76.6	-172.9	-169.1	-158.5	2.5	113.5	E734 E735	E734-R737 PolarHBondContact O-N 3.23Å; E735-R737 PolarHBondContact O-N 3.02Å
738	G	45.2	Very low	47.1	Very low	62 Å²	62	145.2 Å²	145.2	64%	0.639	73%	0.729	S	S	*	*	H	α-helix	trans	-84.2	-14.2	178.5	0	0	0	0	0	114.1	E734 E735	E734-G738 PolarHBondContact O-N 3.02Å; E734-G738 VanDerWaalsContact O-N 3.1Å; E735-G738 PolarHBondContact O-N 3.25Å
739	E	44.5	Very low	46.1	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	73%	0.73	S	S	*	*			trans	-102.3	49.8	179.7	-65.9	-166.9	159.6	0	0	113.3	E735	E735-E739 PolarHBondContact O-N 2.84Å
740	E	38.9	Very low	44.5	Very low	178 Å²	178	147.7 Å²	147.7	83%	0.832	76%	0.761	S	S	*	*	S	Bend	trans	-99	118.4	152.2	-95.3	-168.3	164.1	0	0	108.6	C742	E740-C742 PolarHBondContact O-N 2.95Å
741	P	40.9	Very low	43.7	Very low	116 Å²	116	148.8 Å²	148.8	75%	0.753	77%	0.769	S	S	*	*			trans	-71	122.8	-177.8	-8.5	22.3	0	0	0	110.6	R743	P741-R743 VanDerWaalsContact C-N 3.25Å; P741-R743 PolarHBondContact O-N 3.27Å
742	C	38.2	Very low	43	Very low	139 Å²	139	154.3 Å²	154.3	94%	0.939	79%	0.791	S	S	*	*			trans	-53	86.3	159.3	-95.9	0	0	0	0	110.8	E740	E740-C742 PolarHBondContact O-N 2.95Å
743	R	39.7	Very low	42.1	Very low	225 Å²	225	158.4 Å²	158.4	85%	0.849	81%	0.811	S	S	*	*			trans	-138.7	89.8	164.6	-82.9	-168.8	177.8	-176.9	1.2	109.1	P741	P741-R743 VanDerWaalsContact C-N 3.25Å; P741-R743 PolarHBondContact O-N 3.27Å
744	R	38	Very low	41.4	Very low	237 Å²	237	160.2 Å²	160.2	89%	0.894	82%	0.824	S	S	*	*			trans	167.9	105.4	140	-93.5	161	-167.7	-161.4	4.8	108.4
745	N	37	Very low	40.5	Very low	166 Å²	166	161.1 Å²	161.1	89%	0.888	83%	0.833	S	S	*	*			trans	-173.9	81.9	135	-88.9	-11.5	0	0	0	108.1
746	A	34.8	Very low	39.8	Very low	105 Å²	105	162.5 Å²	162.5	87%	0.868	85%	0.845	S	S	*	*			trans	-117.2	91.6	156.6	0	0	0	0	0	106.4
747	S	33.3	Very low	39.1	Very low	113 Å²	113	163.6 Å²	163.6	79%	0.79	86%	0.855	S	S	*	*			trans	-102.6	112.1	159.8	46.3	0	0	0	0	107.2
748	L	34.4	Very low	38.2	Very low	166 Å²	166	158.7 Å²	158.7	87%	0.869	86%	0.855	S	S	*	*			trans	-88.8	168.8	167.4	-95.4	165.2	0	0	0	109.1
749	P	40.9	Very low	37.6	Very low	110 Å²	110	166.8 Å²	166.8	71%	0.714	87%	0.873	S	S	*	*				-106	158.9	-120.9	39.9	-35.4	0	0	0	114.8
750	Q	30.5	Very low	37	Very low	272 Å²	272	166.1 Å²	166.1	100%	1.271	88%	0.879	S	S	*	*			trans	-166.4	0	131.9	-109.8	-178	0.5	0	0	110.3

Retrieved 750 of 750 residues in 284.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).