A0A077ZC67_TRITR Loading...

Nicotinic acetylcholine receptor alpha subunit

AlphaFold DB , UniProt , Accession A0A077ZC67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 622 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	34.5	Very low	237 Å²	237	166.8 Å²	166.8	100%	1.167	86%	0.857	S	S	*	*				0	139.2	0	-84.5	167.3	150.8	0	0	107.9
2	M	33.3	Very low	34.5	Very low	175 Å²	175	166.1 Å²	166.1	86%	0.862	85%	0.854	S	S	*	*			trans	42.7	100.8	165.1	-67.3	156.8	178.7	0	0	115.7
3	I	34.5	Very low	34.8	Very low	152 Å²	152	168.3 Å²	168.3	78%	0.779	85%	0.854	S	S	*	*				48	100.4	57.6	-45.8	173.6	0	0	0	110.4
4	D	36.7	Very low	35	Very low	155 Å²	155	161.9 Å²	161.9	83%	0.829	84%	0.84	S	S	*	*				-161.5	167	107.4	-125.1	-42.7	0	0	0	113.6
5	S	33.3	Very low	35.1	Very low	91 Å²	91	160.8 Å²	160.8	64%	0.636	84%	0.836	S	S	*	*			trans	-119.3	157.7	179.3	75.3	0	0	0	0	112.1
6	P	38.3	Very low	35.3	Very low	117 Å²	117	158.8 Å²	158.8	76%	0.76	83%	0.832	S	S	*	*			trans	-132.9	129.9	156.8	33.4	-19.4	0	0	0	114.7	S8	P6-S8 PolarHBondContact O-N 3Å
7	L	29.7	Very low	35.3	Very low	174 Å²	174	162 Å²	162	91%	0.911	84%	0.838	S	S	*	*			trans	-65.8	108.1	162.7	-72.9	75.7	0	0	0	109.4
8	S	36.3	Very low	35.3	Very low	107 Å²	107	163.4 Å²	163.4	75%	0.748	84%	0.836	S	S	*	*			trans	-151.1	26.3	175.1	-152.9	0	0	0	0	115.6	P6	P6-S8 PolarHBondContact O-N 3Å
9	K	34.1	Very low	35.2	Very low	207 Å²	207	160.4 Å²	160.4	90%	0.9	83%	0.832	S	S	*	*			trans	-123	26.8	-176.6	-74	-168.5	174.2	-177.2	0	115.7
10	R	35.7	Very low	35.2	Very low	253 Å²	253	161 Å²	161	96%	0.955	84%	0.835	S	S	*	*	S	Bend	trans	-111.2	2.9	-178	-87.1	-168.8	173.6	-164.4	-1.3	117.4
11	L	35.4	Very low	35.3	Very low	167 Å²	167	161.7 Å²	161.7	87%	0.874	84%	0.839	S	S	*	*	S	Bend	trans	-119.1	-4.5	-173.5	-82.6	165.7	0	0	0	117.1
12	L	34.5	Very low	35.3	Very low	158 Å²	158	154 Å²	154	83%	0.827	82%	0.82	S	S	*	*	S	Bend	trans	-106.7	-7.4	-172.8	-81.4	164.2	0	0	0	116.4
13	F	37.9	Very low	35.1	Very low	195 Å²	195	157.3 Å²	157.3	86%	0.855	82%	0.823	S	S	*	*	S	Bend	trans	-100.2	1.1	-175.9	-85	-86.9	0	0	0	115.5
14	A	38.4	Very low	35.1	Very low	79 Å²	79	156.5 Å²	156.5	65%	0.653	83%	0.826	S	S	*	*	S	Bend	trans	-84	-23	-171.5	0	0	0	0	0	115.7
15	N	35.6	Very low	34.8	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	83%	0.828	S	S	*	*	S	Bend	trans	-105.7	-8.5	-163.2	-81.3	-17.4	0	0	0	116.7
16	V	39	Very low	34.8	Very low	129 Å²	129	161.8 Å²	161.8	78%	0.782	84%	0.837	S	S	*	*	S	Bend	trans	-86.8	-32.4	-175.7	-179.2	0	0	0	0	113.1	K18	V16-K18 PolarHBondContact O-N 2.85Å
17	K	36.1	Very low	34.5	Very low	213 Å²	213	160.5 Å²	160.5	93%	0.926	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	22.1	-173.7	-151.1	172.7	-176.4	174.9	0	114.6
18	K	34.3	Very low	34.7	Very low	187 Å²	187	162.3 Å²	162.3	81%	0.813	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	10.4	-169.1	-130.9	176.4	-172.7	177.1	0	115.5	V16	V16-K18 PolarHBondContact O-N 2.85Å
19	S	33.2	Very low	34.6	Very low	107 Å²	107	161 Å²	161	75%	0.748	84%	0.836	S	S	*	*	S	Bend	trans	-116	3.4	-166	-164	0	0	0	0	116.7
20	L	35.2	Very low	34.4	Very low	172 Å²	172	154.8 Å²	154.8	90%	0.901	83%	0.83	S	S	*	*	S	Bend	trans	-126.5	6.1	-168.2	-83.7	170.2	0	0	0	116.9
21	L	37.7	Very low	34.8	Very low	175 Å²	175	148.6 Å²	148.6	92%	0.916	82%	0.823	S	S	*	*	S	Bend	trans	-129	104.5	167	-85.6	167	0	0	0	109.4
22	G	31.2	Very low	34.9	Very low	75 Å²	75	148 Å²	148	77%	0.773	83%	0.826	S	S	*	*			trans	-80.1	161.8	-175.9	0	0	0	0	0	114.2
23	R	30.3	Very low	35	Very low	245 Å²	245	145.6 Å²	145.6	93%	0.925	83%	0.829	S	S	*	*			trans	-32.8	143.6	163.7	-65.9	163.6	167.8	158.8	-6.8	112.1
24	T	34.2	Very low	35	Very low	136 Å²	136	140.1 Å²	140.1	83%	0.834	83%	0.828	S	S	*	*				-147.9	151.8	54.8	42.4	0	0	0	0	115.8
25	K	29.4	Very low	34.8	Very low	201 Å²	201	147.8 Å²	147.8	87%	0.874	84%	0.84	S	S	*	*			trans	-142.1	124.1	156.4	-107.6	-172.5	177	-177.2	0	107.7
26	N	35.3	Very low	34.9	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	84%	0.84	S	S	*	*			trans	-174.2	110.5	165.7	-91.3	-9	0	0	0	103.6
27	S	30.4	Very low	34.9	Very low	90 Å²	90	149.8 Å²	149.8	63%	0.629	85%	0.845	S	S	*	*				76.6	131.4	69	73.7	0	0	0	0	113.7
28	F	34.2	Very low	35.2	Very low	211 Å²	211	144.4 Å²	144.4	93%	0.925	83%	0.832	S	S	*	*			trans	81.6	126.6	176.4	-74.6	-93.2	0	0	0	119.6
29	G	33.7	Very low	35.5	Very low	81 Å²	81	145.1 Å²	145.1	84%	0.835	84%	0.838	S	S	*	*			trans	80.9	117	133.7	0	0	0	0	0	119.6
30	G	31.1	Very low	35.5	Very low	75 Å²	75	143.8 Å²	143.8	77%	0.773	84%	0.84	S	S	*	*			trans	-123.1	-155.7	149.3	0	0	0	0	0	109.4
31	P	42.8	Very low	35.7	Very low	123 Å²	123	139.4 Å²	139.4	80%	0.799	84%	0.837	S	S	*	*			cis	-137.7	151.8	-27.3	37.4	-22.4	0	0	0	113.4
32	T	38.6	Very low	35.5	Very low	155 Å²	155	137.5 Å²	137.5	95%	0.951	83%	0.833	S	S	*	*			trans	-147.8	135.1	168.9	15.1	0	0	0	0	116.4
33	A	36.7	Very low	35.7	Very low	108 Å²	108	141 Å²	141	89%	0.893	84%	0.839	S	S	*	*			trans	-37.2	150.6	177.9	0	0	0	0	0	122.1
34	G	37.4	Very low	35.8	Very low	80 Å²	80	135.6 Å²	135.6	83%	0.825	83%	0.834	S	S	*	*			trans	127.6	146.7	132.5	0	0	0	0	0	117.7
35	R	33.7	Very low	35.7	Very low	239 Å²	239	135.1 Å²	135.1	90%	0.902	83%	0.833	S	S	*	*			cis	-171.9	154.8	-41.1	-176.6	172.9	-170.3	-170.7	5.1	107.6
36	S	38.6	Very low	35.7	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	83%	0.833	S	S	*	*			trans	79.2	149.6	165.6	82.8	0	0	0	0	117.6
37	K	38.8	Very low	35.6	Very low	205 Å²	205	136.2 Å²	136.2	89%	0.891	84%	0.836	S	S	*	*			cis	-154.9	170.1	-19.6	-115	-156.1	175.4	-174	0	110
38	P	42	Very low	35.4	Very low	100 Å²	100	138.2 Å²	138.2	65%	0.649	85%	0.848	S	S	*	*			trans	-124	169.2	-155.5	44.4	-35.7	0	0	0	117.8
39	H	40.2	Very low	35.3	Very low	203 Å²	203	136 Å²	136	94%	0.94	85%	0.846	S	S	*	*			trans	-160.9	152	144	-83.4	-77.1	0	0	0	106.8
40	G	34.7	Very low	35.2	Very low	78 Å²	78	136 Å²	136	80%	0.804	84%	0.838	S	S	*	*			cis	169	132.8	-9.6	0	0	0	0	0	109.6
41	G	39.5	Very low	35.1	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	84%	0.839	S	S	*	*			trans	164.6	139.4	179.5	0	0	0	0	0	113.9
42	T	32.2	Very low	34.6	Very low	135 Å²	135	141.4 Å²	141.4	83%	0.828	84%	0.841	S	S	*	*			trans	-114.3	132.2	-170.9	48.6	0	0	0	0	113.4
43	T	36.9	Very low	34.3	Very low	147 Å²	147	139.1 Å²	139.1	90%	0.902	83%	0.829	S	S	*	*			trans	-173.4	161.1	131	15.9	0	0	0	0	111.2
44	T	30.8	Very low	34	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	83%	0.834	S	S	*	*			trans	-84.7	157.5	-174.1	44.9	0	0	0	0	112.8
45	P	32.7	Very low	33.7	Very low	126 Å²	126	147.7 Å²	147.7	82%	0.818	83%	0.831	S	S	*	*				-137.4	165.6	100.3	38.6	-28.2	0	0	0	114.6
46	T	29.7	Very low	33.7	Very low	141 Å²	141	145.6 Å²	145.6	87%	0.865	83%	0.831	S	S	*	*			trans	-77.6	135.1	179.9	30.7	0	0	0	0	113.3
47	R	32.6	Very low	33.5	Very low	238 Å²	238	144 Å²	144	90%	0.898	82%	0.824	S	S	*	*			trans	-156.8	112.3	159.6	-135.5	177.1	-171.1	179.4	3.1	111.3
48	C	26.5	Very low	33.2	Very low	132 Å²	132	143 Å²	143	89%	0.892	82%	0.82	S	S	*	*			trans	-97.4	131.8	166.5	-65.7	0	0	0	0	109
49	L	33	Very low	32.6	Very low	166 Å²	166	147.6 Å²	147.6	87%	0.869	84%	0.836	S	S	*	*			trans	-140.2	139.7	159.7	-103.4	171.5	0	0	0	107.2
50	A	30.6	Very low	32.5	Very low	81 Å²	81	146.3 Å²	146.3	67%	0.669	83%	0.83	S	S	*	*			trans	-74	153.1	-175.1	0	0	0	0	0	112.1
51	N	30	Very low	32.6	Very low	150 Å²	150	149.7 Å²	149.7	80%	0.802	82%	0.824	S	S	*	*				179.6	151.3	117.1	-94	-26.6	0	0	0	113.3
52	L	31.2	Very low	32.3	Very low	160 Å²	160	157.5 Å²	157.5	84%	0.838	83%	0.829	S	S	*	*			trans	70.2	161.1	164.1	-59.7	157.6	0	0	0	115
53	P	32.6	Very low	32.5	Very low	108 Å²	108	159.6 Å²	159.6	70%	0.701	83%	0.834	S	S	*	*				-124.1	162.2	-84	24.3	-3.5	0	0	0	113.3	D55	P53-D55 PolarHBondContact O-N 2.86Å; P53-D55 VanDerWaalsContact O-N 3.12Å
54	F	30.3	Very low	32.6	Very low	225 Å²	225	157.5 Å²	157.5	99%	0.987	82%	0.821	S	S	*	*			trans	-78.2	95.8	173.2	-103.2	-87.8	0	0	0	111.1
55	D	31.6	Very low	32.8	Very low	142 Å²	142	159 Å²	159	76%	0.759	82%	0.824	S	S	*	*			trans	-103.1	151.2	171.6	-156.8	-8.6	0	0	0	111.4	P53 A57	P53-D55 PolarHBondContact O-N 2.86Å; P53-D55 VanDerWaalsContact O-N 3.12Å; D55-A57 PolarHBondContact O-N 3.44Å
56	H	33.3	Very low	33.1	Very low	195 Å²	195	161.6 Å²	161.6	90%	0.903	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	56.6	-151.1	-133.6	-95.2	0	0	0	113.5
57	A	35.1	Very low	33.6	Very low	77 Å²	77	166 Å²	166	64%	0.636	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	-45.1	-163.9	0	0	0	0	0	119.6	D55	D55-A57 PolarHBondContact O-N 3.44Å
58	F	30.9	Very low	33.9	Very low	184 Å²	184	160.6 Å²	160.6	81%	0.807	83%	0.826	S	S	*	*			trans	-100.9	13.7	-144.8	-132.5	-95	0	0	0	119.6	H60	F58-H60 PolarHBondContact O-N 3.39Å
59	M	31.1	Very low	34.6	Very low	198 Å²	198	161.9 Å²	161.9	98%	0.975	82%	0.823	S	S	*	*	S	Bend	trans	-93.9	39.7	-178.4	-152.7	176.8	-171.9	0	0	114.6
60	H	36.8	Very low	34.9	Very low	176 Å²	176	162.6 Å²	162.6	82%	0.815	82%	0.822	S	S	*	*	S	Bend	trans	-128.3	8.1	-169.3	-141.6	-64.1	0	0	0	116.5	F58	F58-H60 PolarHBondContact O-N 3.39Å
61	Q	36.4	Very low	35.3	Very low	148 Å²	148	167.9 Å²	167.9	69%	0.692	83%	0.83	S	S	*	*	S	Bend	trans	-142.3	19.5	-169.5	-156.5	140.2	37.1	0	0	117.3
62	W	33.6	Very low	35.8	Very low	246 Å²	246	166 Å²	166	93%	0.932	82%	0.823	S	S	*	*	S	Bend	trans	-114.5	6.1	-179.4	-106.1	97.1	0	0	0	116.1
63	L	35.9	Very low	36.1	Very low	178 Å²	178	167.4 Å²	167.4	93%	0.932	83%	0.831	S	S	*	*	S	Bend	trans	-119.4	24.1	-179.6	-70.4	174.5	0	0	0	113.9
64	T	39.1	Very low	36.5	Very low	103 Å²	103	167.7 Å²	167.7	63%	0.632	83%	0.834	S	S	*	*	S	Bend	trans	-118.6	58.5	-179.4	58	0	0	0	0	112.6
65	N	36	Very low	37.1	Very low	165 Å²	165	164.4 Å²	164.4	88%	0.882	82%	0.822	S	S	*	*			trans	176.4	91.1	151.6	-96.2	-41.7	0	0	0	112.3
66	L	39.6	Very low	37.7	Very low	180 Å²	180	168.3 Å²	168.3	94%	0.942	83%	0.828	S	S	*	*	S	Bend	trans	-162	152.2	143.1	-106	165.2	0	0	0	108.2
67	R	39.7	Very low	38.4	Very low	234 Å²	234	162.6 Å²	162.6	88%	0.883	81%	0.814	S	S	*	*			trans	-82.9	150.6	-159.3	-74.1	-175.7	178.1	-176.9	-0.4	114
68	P	39.6	Very low	39.4	Very low	124 Å²	124	162.9 Å²	162.9	81%	0.805	81%	0.808	S	S	*	*			trans	-74.2	142.7	-178.8	31.1	-35.8	0	0	0	112.3
69	I	40.9	Very low	40.3	Very low	160 Å²	160	163.5 Å²	163.5	82%	0.821	81%	0.805	S	S	*	*			trans	-126.5	130.8	161.5	-62.7	179.5	0	0	0	106.5	F71	I69-F71 PolarHBondContact O-N 3.41Å
70	H	38.3	Very low	41.7	Very low	181 Å²	181	163.8 Å²	163.8	84%	0.838	80%	0.795	S	S	*	*			trans	-62.4	122.7	178.6	-89.7	-131	0	0	0	111.2
71	F	38.4	Very low	42.8	Very low	192 Å²	192	161.1 Å²	161.1	84%	0.842	78%	0.783	S	S	*	*			trans	-151.2	107.4	145.1	-107.5	-73.4	0	0	0	112.3	I69	I69-F71 PolarHBondContact O-N 3.41Å
72	T	42	Very low	44.2	Very low	109 Å²	109	157.2 Å²	157.2	67%	0.669	77%	0.77	S	S	*	*			trans	17.4	107.1	153.7	57	0	0	0	0	120	C74	T72-C74 VanDerWaalsContact C-N 3.33Å; T72-C74 PolarHBondContact O-N 2.85Å
73	L	36.5	Very low	45.9	Very low	191 Å²	191	153.4 Å²	153.4	100%	1	76%	0.756	S	S	*	*	S	Bend		21	51	129.7	-65.1	169.7	0	0	0	119.6
74	C	41.6	Very low	47.6	Very low	113 Å²	113	148.2 Å²	148.2	76%	0.764	74%	0.735	S	S	*	*			trans	-149.9	20.2	177.3	-143.2	0	0	0	0	116	T72	T72-C74 VanDerWaalsContact C-N 3.33Å; T72-C74 PolarHBondContact O-N 2.85Å
75	Q	42	Very low	49.4	Very low	156 Å²	156	147.8 Å²	147.8	73%	0.729	73%	0.728	S	S	*	*	S	Bend	trans	-131.3	2.9	-177.5	-73.4	-170.7	-22.9	0	0	116.2	A77 T78	Q75-A77 VanDerWaalsContact C-N 3.35Å; Q75-T78 PolarHBondContact O-OG1 2.92Å
76	Y	44.8	Very low	51.3	Low	225 Å²	225	147 Å²	147	88%	0.882	72%	0.716	S	S	*	*	H	α-helix	trans	-77.4	-16.6	176.5	-99.3	-91	0	0	0	114.3
77	A	49	Very low	53.1	Low	75 Å²	75	143.4 Å²	143.4	62%	0.62	70%	0.695	S	S	*	*	H	α-helix	trans	-75.5	-39.6	-179.8	0	0	0	0	0	113	Q75 W79 R80 E81	Q75-A77 VanDerWaalsContact C-N 3.35Å; A77-W79 PolarHBondContact O-N 2.85Å; A77-R80 PolarHBondContact O-N 3.24Å; A77-E81 PolarHBondContact O-N 2.87Å
78	T	54.9	Low	54.9	Low	83 Å²	83	135.1 Å²	135.1	51%	0.509	67%	0.673	S	S	.	*	H	α-helix	trans	-66.4	-36.9	-172.1	50.7	0	0	0	0	113.1	Q75 R80 E81 V82	Q75-T78 PolarHBondContact O-OG1 2.92Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 2.84Å; T78-E81 PolarHBondContact O-N 3.48Å; T78-V82 WeakPolarHBondContact O-CG2 3.46Å; T78-V82 PolarHBondContact O-N 2.94Å
79	W	50.5	Low	56.8	Low	197 Å²	197	134 Å²	134	75%	0.746	66%	0.659	S	S	*	*	H	α-helix	trans	-65.9	-30.1	177.1	-81.4	91.5	0	0	0	113.2	A77 Y83	A77-W79 PolarHBondContact O-N 2.85Å; W79-Y83 WeakPolarHBondContact O-CB 3.45Å; W79-Y83 PolarHBondContact O-N 3.2Å
80	R	59.1	Low	58.6	Low	204 Å²	204	133.3 Å²	133.3	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-72	-42.3	177.8	-159.7	-178.9	-163.6	-145.1	4.3	111.6	A77 T78 Y83 S84	A77-R80 PolarHBondContact O-N 3.24Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 2.84Å; R80-Y83 PolarHBondContact O-N 3.26Å; R80-S84 VanDerWaalsContact O-CB 3.28Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.08Å
81	E	60.4	Low	60.5	Low	119 Å²	119	129 Å²	129	56%	0.556	63%	0.633	S	S	*	*	H	α-helix	trans	-62.9	-47.6	173.9	-64.3	-53.2	130.7	0	0	111.3	A77 T78 Y83 S84 I85	A77-E81 PolarHBondContact O-N 2.87Å; T78-E81 PolarHBondContact O-N 3.48Å; E81-Y83 PolarHBondContact O-N 3.27Å; E81-S84 WeakPolarHBondContact O-CB 3.33Å; E81-S84 PolarHBondContact O-N 3.27Å; E81-I85 WeakPolarHBondContact O-CB 3.48Å; E81-I85 VanDerWaalsContact O-CG1 3.27Å; E81-I85 WeakPolarHBondContact O-CG1 3.47Å; E81-I85 PolarHBondContact O-N 2.71Å
82	V	67.3	Low	62.3	Low	67 Å²	67	125.5 Å²	125.5	41%	0.406	62%	0.619	S	S	.	*	H	α-helix	trans	-60	-46.2	177	171.2	0	0	0	0	111.3	T78 S84 I85 F86	T78-V82 WeakPolarHBondContact O-CG2 3.46Å; T78-V82 PolarHBondContact O-N 2.94Å; V82-S84 VanDerWaalsContact C-N 3.34Å; V82-S84 PolarHBondContact O-N 2.85Å; V82-I85 PolarHBondContact O-N 2.98Å; V82-F86 HydrophobicContact CG1-CD2 3.76Å; V82-F86 HydrophobicContact CG1-CE2 3.93Å; V82-F86 WeakPolarHBondContact O-CD2 3.3Å; V82-F86 PolarHBondContact O-N 3.15Å
83	Y	68.7	Low	63.9	Low	165 Å²	165	122.7 Å²	122.7	65%	0.647	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-38.6	178.4	-150.7	-92.3	0	0	0	111.9	W79 R80 E81 F86 H87	W79-Y83 WeakPolarHBondContact O-CB 3.45Å; W79-Y83 PolarHBondContact O-N 3.2Å; R80-Y83 PolarHBondContact O-N 3.26Å; E81-Y83 PolarHBondContact O-N 3.27Å; Y83-F86 PolarHBondContact O-N 3.21Å; Y83-H87 AromaticContact CE1-CD2 3.98Å; Y83-H87 WeakPolarHBondContact O-CB 3.36Å; Y83-H87 PolarHBondContact O-N 3.12Å
84	S	70.7	Confident	65.7	Low	70 Å²	70	119.2 Å²	119.2	49%	0.49	58%	0.584	S	S	.	*	H	α-helix	trans	-61.3	-46.6	174.1	-172.1	0	0	0	0	112.1	R80 E81 V82 H87 S88	R80-S84 VanDerWaalsContact O-CB 3.28Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.08Å; E81-S84 WeakPolarHBondContact O-CB 3.33Å; E81-S84 PolarHBondContact O-N 3.27Å; V82-S84 VanDerWaalsContact C-N 3.34Å; V82-S84 PolarHBondContact O-N 2.85Å; S84-H87 PolarHBondContact O-N 3.49Å; S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 2.97Å
85	I	77	Confident	67.1	Low	94 Å²	94	119 Å²	119	48%	0.482	58%	0.575	S	S	.	*	H	α-helix	trans	-62.1	-47.1	177	-69.4	163.4	0	0	0	110.6	E81 V82 H87 S88 I89	E81-I85 WeakPolarHBondContact O-CB 3.48Å; E81-I85 VanDerWaalsContact O-CG1 3.27Å; E81-I85 WeakPolarHBondContact O-CG1 3.47Å; E81-I85 PolarHBondContact O-N 2.71Å; V82-I85 PolarHBondContact O-N 2.98Å; I85-H87 PolarHBondContact O-N 2.96Å; I85-S88 PolarHBondContact O-N 3.35Å; I85-I89 HydrophobicContact CG2-CD1 3.67Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CB 3.35Å; I85-I89 VanDerWaalsContact O-CG1 3.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.17Å; I85-I89 PolarHBondContact O-N 3.03Å
86	F	75.7	Confident	68.4	Low	147 Å²	147	117.3 Å²	117.3	65%	0.645	57%	0.569	S	S	*	*	H	α-helix	trans	-60.1	-42.8	175	-93.3	-81.6	0	0	0	112.2	V82 Y83 S88 F90	V82-F86 HydrophobicContact CG1-CD2 3.76Å; V82-F86 HydrophobicContact CG1-CE2 3.93Å; V82-F86 WeakPolarHBondContact O-CD2 3.3Å; V82-F86 PolarHBondContact O-N 3.15Å; Y83-F86 PolarHBondContact O-N 3.21Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.3Å; F86-F90 VanDerWaalsContact O-CB 3.25Å; F86-F90 WeakPolarHBondContact O-CB 3.2Å; F86-F90 PolarHBondContact O-N 3.03Å
87	H	78	Confident	69.4	Low	105 Å²	105	110.3 Å²	110.3	49%	0.486	55%	0.553	S	S	.	*	H	α-helix	trans	-68	-34.5	179.2	-137.1	-59.8	0	0	0	112.7	Y83 S84 I85 L91	Y83-H87 AromaticContact CE1-CD2 3.98Å; Y83-H87 WeakPolarHBondContact O-CB 3.36Å; Y83-H87 PolarHBondContact O-N 3.12Å; S84-H87 PolarHBondContact O-N 3.49Å; I85-H87 PolarHBondContact O-N 2.96Å; H87-L91 WeakPolarHBondContact O-CB 3.47Å; H87-L91 WeakPolarHBondContact O-CG 3.18Å; H87-L91 PolarHBondContact O-N 3.37Å
88	S	77.4	Confident	70.3	Confident	61 Å²	61	110.2 Å²	110.2	43%	0.427	54%	0.542	S	S	.	.	H	α-helix	trans	-73	-43	177.2	-164.1	0	0	0	0	111.8	S84 I85 F86 F90 L91 Q92	S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 2.97Å; I85-S88 PolarHBondContact O-N 3.35Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.3Å; S88-F90 VanDerWaalsContact C-N 3.34Å; S88-F90 PolarHBondContact O-N 3.44Å; S88-L91 PolarHBondContact O-N 2.92Å; S88-Q92 WeakPolarHBondContact O-CB 3.37Å; S88-Q92 WeakPolarHBondContact O-CG 3.47Å; S88-Q92 PolarHBondContact O-N 3.22Å
89	I	80	Confident	71	Confident	99 Å²	99	110.5 Å²	110.5	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-61.6	-42.7	171.7	-69	168.8	0	0	0	110.5	I85 Q92 A93	I85-I89 HydrophobicContact CG2-CD1 3.67Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CB 3.35Å; I85-I89 VanDerWaalsContact O-CG1 3.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.17Å; I85-I89 PolarHBondContact O-N 3.03Å; I89-Q92 PolarHBondContact O-N 3.02Å; I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 2.95Å
90	F	78.5	Confident	71.8	Confident	146 Å²	146	103.7 Å²	103.7	64%	0.64	52%	0.523	S	S	*	.	H	α-helix	trans	-65.5	-40.4	177.7	-164.9	-92.1	0	0	0	112	F86 S88 F94	F86-F90 VanDerWaalsContact O-CB 3.25Å; F86-F90 WeakPolarHBondContact O-CB 3.2Å; F86-F90 PolarHBondContact O-N 3.03Å; S88-F90 VanDerWaalsContact C-N 3.34Å; S88-F90 PolarHBondContact O-N 3.44Å; F90-F94 VanDerWaalsContact O-CB 3.24Å; F90-F94 WeakPolarHBondContact O-CB 3.29Å; F90-F94 PolarHBondContact O-N 2.81Å
91	L	77.5	Confident	72.4	Confident	92 Å²	92	100.1 Å²	100.1	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-42.3	173	-87	163.3	0	0	0	112.6	H87 S88 F94 L95	H87-L91 WeakPolarHBondContact O-CB 3.47Å; H87-L91 WeakPolarHBondContact O-CG 3.18Å; H87-L91 PolarHBondContact O-N 3.37Å; S88-L91 PolarHBondContact O-N 2.92Å; L91-F94 PolarHBondContact O-N 3.47Å; L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3Å
92	Q	77.5	Confident	73.4	Confident	118 Å²	118	99.3 Å²	99.3	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-64.3	-45.4	175.7	-76.3	-178	-19.1	0	0	111.6	S88 I89 F94 L95 I96	S88-Q92 WeakPolarHBondContact O-CB 3.37Å; S88-Q92 WeakPolarHBondContact O-CG 3.47Å; S88-Q92 PolarHBondContact O-N 3.22Å; I89-Q92 PolarHBondContact O-N 3.02Å; Q92-F94 VanDerWaalsContact C-N 3.34Å; Q92-F94 PolarHBondContact O-N 2.8Å; Q92-L95 PolarHBondContact O-N 3.03Å; Q92-I96 WeakPolarHBondContact O-CB 3.35Å; Q92-I96 WeakPolarHBondContact O-CD1 3.45Å; Q92-I96 VanDerWaalsContact O-CG1 3.23Å; Q92-I96 WeakPolarHBondContact O-CG1 3.26Å; Q92-I96 PolarHBondContact O-N 3.33Å
93	A	74.6	Confident	74.3	Confident	49 Å²	49	98 Å²	98	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-45.2	174.8	0	0	0	0	0	111.6	I89 I96 S97	I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 2.95Å; A93-I96 PolarHBondContact O-N 2.91Å; A93-S97 PolarHBondContact O-N 3.37Å; A93-S97 PolarHBondContact O-OG 2.89Å; A93-S97 VanDerWaalsContact O-OG 3.09Å
94	F	73.7	Confident	75.2	Confident	119 Å²	119	94.3 Å²	94.3	52%	0.522	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-41.6	178.4	-171	-110.6	0	0	0	112.7	F90 L91 Q92 S97 I98	F90-F94 VanDerWaalsContact O-CB 3.24Å; F90-F94 WeakPolarHBondContact O-CB 3.29Å; F90-F94 PolarHBondContact O-N 2.81Å; L91-F94 PolarHBondContact O-N 3.47Å; Q92-F94 VanDerWaalsContact C-N 3.34Å; Q92-F94 PolarHBondContact O-N 2.8Å; F94-S97 PolarHBondContact O-N 3.41Å; F94-I98 HydrophobicContact CD1-CD1 3.79Å; F94-I98 HydrophobicContact CE1-CD1 3.55Å; F94-I98 HydrophobicContact CG-CD1 4.48Å; F94-I98 HydrophobicContact CZ-CD1 4.05Å; F94-I98 WeakPolarHBondContact O-CG1 3.45Å; F94-I98 PolarHBondContact O-N 3.14Å
95	L	71.3	Confident	76.1	Confident	108 Å²	108	96.6 Å²	96.6	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-42	174.6	-73.9	167.2	0	0	0	112.2	L91 Q92 S97 I98 E99	L91-L95 WeakPolarHBondContact O-CB 3.49Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3Å; Q92-L95 PolarHBondContact O-N 3.03Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.83Å; L95-I98 PolarHBondContact O-N 2.83Å; L95-E99 PolarHBondContact O-N 3.4Å; L95-E99 VanDerWaalsContact O-N 3.08Å
96	I	69.7	Low	76.8	Confident	120 Å²	120	96 Å²	96	62%	0.615	49%	0.487	S	S	*	.	H	α-helix	trans	-62.9	-41	175.3	-68.5	163.2	0	0	0	110.7	Q92 A93 E99 A100	Q92-I96 WeakPolarHBondContact O-CB 3.35Å; Q92-I96 WeakPolarHBondContact O-CD1 3.45Å; Q92-I96 VanDerWaalsContact O-CG1 3.23Å; Q92-I96 WeakPolarHBondContact O-CG1 3.26Å; Q92-I96 PolarHBondContact O-N 3.33Å; A93-I96 PolarHBondContact O-N 2.91Å; I96-E99 PolarHBondContact O-N 3.26Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.42Å
97	S	65.8	Low	77.6	Confident	78 Å²	78	89 Å²	89	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-64.3	-36.9	175.2	-62	0	0	0	0	113.2	A93 F94 L95 M101	A93-S97 PolarHBondContact O-N 3.37Å; A93-S97 PolarHBondContact O-OG 2.89Å; A93-S97 VanDerWaalsContact O-OG 3.09Å; F94-S97 PolarHBondContact O-N 3.41Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.83Å; S97-M101 WeakPolarHBondContact O-CB 3.12Å; S97-M101 PolarHBondContact O-N 2.88Å
98	I	68.5	Low	78.2	Confident	73 Å²	73	87 Å²	87	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-47.5	176.4	-73.3	166.1	0	0	0	111	F94 L95 M101 K102	F94-I98 HydrophobicContact CD1-CD1 3.79Å; F94-I98 HydrophobicContact CE1-CD1 3.55Å; F94-I98 HydrophobicContact CG-CD1 4.48Å; F94-I98 HydrophobicContact CZ-CD1 4.05Å; F94-I98 WeakPolarHBondContact O-CG1 3.45Å; F94-I98 PolarHBondContact O-N 3.14Å; L95-I98 PolarHBondContact O-N 2.83Å; I98-M101 PolarHBondContact O-N 2.84Å; I98-K102 PolarHBondContact O-N 2.8Å; I98-K102 VanDerWaalsContact O-N 3.13Å
99	E	68.9	Low	78.9	Confident	89 Å²	89	89.4 Å²	89.4	42%	0.416	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-39.2	-177.7	-154.2	65.9	-152.5	0	0	111.3	L95 I96 M101 K102 E103	L95-E99 PolarHBondContact O-N 3.4Å; L95-E99 VanDerWaalsContact O-N 3.08Å; I96-E99 PolarHBondContact O-N 3.26Å; E99-M101 PolarHBondContact O-N 3.47Å; E99-K102 WeakPolarHBondContact O-CB 3.48Å; E99-K102 PolarHBondContact O-N 3.27Å; E99-K102 IonicContact OE1-NZ 2.81Å; E99-K102 PolarHBondContact OE1-NZ 3.15Å; E99-K102 IonicContact OE2-NZ 2.69Å; E99-E103 WeakPolarHBondContact O-CG 3.38Å; E99-E103 PolarHBondContact O-N 2.86Å
100	A	67.1	Low	79.5	Confident	54 Å²	54	88.3 Å²	88.3	45%	0.446	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.3	0	0	0	0	0	113	I96 K102 E103 E104	I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.42Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 3.15Å; A100-E103 PolarHBondContact O-N 3.29Å; A100-E104 PolarHBondContact O-N 3.42Å; A100-E104 VanDerWaalsContact O-N 3.13Å
101	M	71.5	Confident	80.2	Confident	129 Å²	129	82.4 Å²	82.4	64%	0.635	42%	0.421	S	S	*	.	H	α-helix	trans	-65.3	-34.4	177.5	-175.5	178.1	74.9	0	0	112.3	S97 I98 E99 Q105	S97-M101 WeakPolarHBondContact O-CB 3.12Å; S97-M101 PolarHBondContact O-N 2.88Å; I98-M101 PolarHBondContact O-N 2.84Å; E99-M101 PolarHBondContact O-N 3.47Å; M101-Q105 PolarHBondContact O-N 2.93Å; M101-Q105 VanDerWaalsContact O-N 3.1Å
102	K	83	Confident	80.9	Confident	102 Å²	102	79.6 Å²	79.6	44%	0.443	41%	0.407	S	S	.	.	H	α-helix	trans	-69.6	-41.6	176.3	174.8	-174.1	155.5	-140.5	0	112.1	I98 E99 A100 E104 Q105 Q106	I98-K102 PolarHBondContact O-N 2.8Å; I98-K102 VanDerWaalsContact O-N 3.13Å; E99-K102 WeakPolarHBondContact O-CB 3.48Å; E99-K102 PolarHBondContact O-N 3.27Å; E99-K102 IonicContact OE1-NZ 2.81Å; E99-K102 PolarHBondContact OE1-NZ 3.15Å; E99-K102 IonicContact OE2-NZ 2.69Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 3.15Å; K102-E104 VanDerWaalsContact C-N 3.34Å; K102-Q105 PolarHBondContact O-N 2.77Å; K102-Q106 WeakPolarHBondContact O-CB 3.31Å; K102-Q106 PolarHBondContact O-N 2.79Å
103	E	85.1	Confident	81.5	Confident	41 Å²	41	83.4 Å²	83.4	19%	0.192	42%	0.417	C	S	.	.	H	α-helix	trans	-63.4	-37.9	174.5	-70.5	-68.6	158.1	0	0	112.1	E99 A100 Q106 L107 Y172 I175	E99-E103 WeakPolarHBondContact O-CG 3.38Å; E99-E103 PolarHBondContact O-N 2.86Å; A100-E103 PolarHBondContact O-N 3.29Å; E103-Q106 PolarHBondContact O-N 2.76Å; E103-L107 WeakPolarHBondContact O-CB 3.45Å; E103-L107 PolarHBondContact O-N 3.16Å; E103-Y172 WeakPolarHBondContact OE2-CA 3.4Å; E103-I175 HydrophobicContact CB-CD1 4.37Å
104	E	87.9	Confident	82.2	Confident	86 Å²	86	88.5 Å²	88.5	40%	0.402	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-43.8	175.9	-168	172.6	-173.4	0	0	112.2	A100 K102 L107 F108 I175 L178	A100-E104 PolarHBondContact O-N 3.42Å; A100-E104 VanDerWaalsContact O-N 3.13Å; K102-E104 VanDerWaalsContact C-N 3.34Å; E104-L107 PolarHBondContact O-N 2.85Å; E104-F108 PolarHBondContact O-N 2.86Å; E104-I175 HydrophobicContact CB-CD1 3.76Å; E104-I175 HydrophobicContact CG-CD1 4.23Å; E104-L178 HydrophobicContact CG-CD1 3.63Å
105	Q	89.2	Confident	83.2	Confident	118 Å²	118	84.2 Å²	84.2	55%	0.551	42%	0.417	S	S	*	.	H	α-helix	trans	-61.8	-44.8	173.3	-176.7	-179	-19.5	0	0	111.5	M101 K102 L107 F108 E109	M101-Q105 PolarHBondContact O-N 2.93Å; M101-Q105 VanDerWaalsContact O-N 3.1Å; K102-Q105 PolarHBondContact O-N 2.77Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.47Å; Q105-F108 WeakPolarHBondContact O-CB 3.45Å; Q105-F108 PolarHBondContact O-N 2.86Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.12Å; Q105-E109 PolarHBondContact NE2-OE1 3.26Å; Q105-E109 PolarHBondContact O-N 3.44Å
106	Q	91.1	Very high	84.2	Confident	82 Å²	82	83.4 Å²	83.4	38%	0.383	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-37.9	179.4	-175.3	174.7	-21.4	0	0	112	K102 E103 D110	K102-Q106 WeakPolarHBondContact O-CB 3.31Å; K102-Q106 PolarHBondContact O-N 2.79Å; E103-Q106 PolarHBondContact O-N 2.76Å; Q106-D110 VanDerWaalsContact O-CB 3.31Å; Q106-D110 WeakPolarHBondContact O-CB 3.24Å; Q106-D110 PolarHBondContact O-N 2.83Å
107	L	92.4	Very high	85.3	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.3	-43.8	173.2	175.4	62.4	0	0	0	111.8	E103 E104 Q105 L111 W167 Y172 I175 L178	E103-L107 WeakPolarHBondContact O-CB 3.45Å; E103-L107 PolarHBondContact O-N 3.16Å; E104-L107 PolarHBondContact O-N 2.85Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.47Å; L107-L111 HydrophobicContact CD1-CD1 3.76Å; L107-L111 HydrophobicContact CD1-CG 3.92Å; L107-L111 HydrophobicContact CG-CD1 3.96Å; L107-L111 HydrophobicContact CG-CG 4.47Å; L107-L111 WeakPolarHBondContact O-CB 3.25Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.35Å; L107-W167 HydrophobicContact CD1-CB 3.84Å; L107-W167 HydrophobicContact CD1-CD2 3.91Å; L107-W167 HydrophobicContact CD1-CE3 4.49Å; L107-W167 HydrophobicContact CD1-CG 3.6Å; L107-W167 HydrophobicContact CD2-CD2 4.15Å; L107-W167 HydrophobicContact CD2-CG 4.36Å; L107-W167 HydrophobicContact CD2-CZ2 4.07Å; L107-Y172 HydrophobicContact CB-CD1 3.7Å; L107-Y172 HydrophobicContact CB-CE1 4.07Å; L107-Y172 HydrophobicContact CB-CG 4.04Å; L107-Y172 HydrophobicContact CD1-CD1 4.06Å; L107-Y172 HydrophobicContact CD1-CD2 3.72Å; L107-Y172 HydrophobicContact CD1-CE1 4.02Å; L107-Y172 HydrophobicContact CD1-CE2 3.69Å; L107-Y172 HydrophobicContact CD1-CG 3.89Å; L107-Y172 HydrophobicContact CG-CD1 4.43Å; L107-Y172 HydrophobicContact CG-CG 4.39Å; L107-I175 HydrophobicContact CD2-CB 4.2Å; L107-I175 HydrophobicContact CD2-CD1 4.37Å; L107-I175 HydrophobicContact CD2-CG2 3.78Å; L107-L178 HydrophobicContact CD2-CD2 4.1Å; L107-L178 HydrophobicContact CG-CD2 4.1Å
108	F	92	Very high	86.5	Confident	64 Å²	64	85.5 Å²	85.5	28%	0.281	42%	0.415	S	S	.	.	H	α-helix	trans	-62.1	-43.6	178.2	-175.7	-86.9	0	0	0	112	E104 Q105 L112 I180 F184	E104-F108 PolarHBondContact O-N 2.86Å; Q105-F108 WeakPolarHBondContact O-CB 3.45Å; Q105-F108 PolarHBondContact O-N 2.86Å; F108-L112 HydrophobicContact CD1-CD1 4.03Å; F108-L112 HydrophobicContact CD2-CD1 4.25Å; F108-L112 HydrophobicContact CE1-CD1 3.59Å; F108-L112 HydrophobicContact CE2-CD1 3.84Å; F108-L112 HydrophobicContact CG-CD1 4.34Å; F108-L112 HydrophobicContact CZ-CD1 3.48Å; F108-L112 VanDerWaalsContact CZ-CD1 3.48Å; F108-L112 PolarHBondContact O-N 2.81Å; F108-I180 HydrophobicContact CD2-CG1 4.42Å; F108-I180 HydrophobicContact CE2-CB 4.5Å; F108-I180 HydrophobicContact CE2-CG1 4.41Å; F108-I180 HydrophobicContact CE2-CG2 3.99Å; F108-F184 HydrophobicContact CZ-CD2 4.47Å
109	E	92.1	Very high	87.6	Confident	110 Å²	110	84 Å²	84	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-67.5	-47.3	176.2	-70.2	179	-156.7	0	0	112.1	Q105 L111 L112 Y113	Q105-E109 WeakPolarHBondContact CG-OE1 3.12Å; Q105-E109 PolarHBondContact NE2-OE1 3.26Å; Q105-E109 PolarHBondContact O-N 3.44Å; E109-L111 VanDerWaalsContact C-N 3.32Å; E109-L111 PolarHBondContact O-N 3.49Å; E109-L112 PolarHBondContact O-N 3.05Å; E109-Y113 WeakPolarHBondContact O-CB 3.17Å; E109-Y113 PolarHBondContact O-N 3.34Å; E109-Y113 VanDerWaalsContact O-N 3.11Å
110	D	92.1	Very high	88.7	Confident	76 Å²	76	81.2 Å²	81.2	41%	0.406	40%	0.399	S	S	.	.	H	α-helix	trans	-57.3	-41.6	177.3	-93	1.2	0	0	0	112	Q106 K171 Y172	Q106-D110 VanDerWaalsContact O-CB 3.31Å; Q106-D110 WeakPolarHBondContact O-CB 3.24Å; Q106-D110 PolarHBondContact O-N 2.83Å; D110-K171 IonicContact OD2-NZ 2.7Å; D110-K171 PolarHBondContact OD2-NZ 3.01Å; D110-Y172 HydrophobicContact CB-CE1 4.35Å; D110-Y172 WeakPolarHBondContact CB-OH 3.45Å; D110-Y172 WeakPolarHBondContact OD2-CE1 3.4Å; D110-Y172 PolarHBondContact OD2-OH 3.48Å
111	L	92.5	Very high	90	Very high	22 Å²	22	78.8 Å²	78.8	12%	0.115	38%	0.378	C	S	.	.	H	α-helix	trans	-72.1	-39.7	-178.1	-75.6	174.5	0	0	0	113.3	L107 E109 W167 L178	L107-L111 HydrophobicContact CD1-CD1 3.76Å; L107-L111 HydrophobicContact CD1-CG 3.92Å; L107-L111 HydrophobicContact CG-CD1 3.96Å; L107-L111 HydrophobicContact CG-CG 4.47Å; L107-L111 WeakPolarHBondContact O-CB 3.25Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.35Å; E109-L111 VanDerWaalsContact C-N 3.32Å; E109-L111 PolarHBondContact O-N 3.49Å; L111-W167 HydrophobicContact CD1-CD2 4.5Å; L111-W167 HydrophobicContact CD1-CE3 3.81Å; L111-W167 HydrophobicContact CD1-CZ3 4.02Å; L111-W167 HydrophobicContact CD2-CE3 4.29Å; L111-L178 HydrophobicContact CD1-CD2 3.92Å
112	L	92.3	Very high	91	Very high	34 Å²	34	74 Å²	74	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-91.4	-17.5	-171.4	-65.6	178.5	0	0	0	114.2	F108 E109 L114 Y115 I180 F184 I185	F108-L112 HydrophobicContact CD1-CD1 4.03Å; F108-L112 HydrophobicContact CD2-CD1 4.25Å; F108-L112 HydrophobicContact CE1-CD1 3.59Å; F108-L112 HydrophobicContact CE2-CD1 3.84Å; F108-L112 HydrophobicContact CG-CD1 4.34Å; F108-L112 HydrophobicContact CZ-CD1 3.48Å; F108-L112 VanDerWaalsContact CZ-CD1 3.48Å; F108-L112 PolarHBondContact O-N 2.81Å; E109-L112 PolarHBondContact O-N 3.05Å; L112-L114 PolarHBondContact O-N 2.91Å; L112-Y115 HydrophobicContact CD2-CD1 4.45Å; L112-Y115 HydrophobicContact CD2-CG 4.26Å; L112-Y115 PolarHBondContact O-N 2.84Å; L112-I180 HydrophobicContact CD1-CG2 4.27Å; L112-F184 HydrophobicContact CD1-CB 4.17Å; L112-I185 HydrophobicContact CD2-CG2 4.49Å
113	Y	90.7	Very high	91.3	Very high	198 Å²	198	77 Å²	77	78%	0.776	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.8	-175.3	-179.3	-110.4	0	0	0	115.2	E109	E109-Y113 WeakPolarHBondContact O-CB 3.17Å; E109-Y113 PolarHBondContact O-N 3.34Å; E109-Y113 VanDerWaalsContact O-N 3.11Å
114	L	88.6	Confident	91.7	Very high	156 Å²	156	79.4 Å²	79.4	82%	0.817	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	13.8	176.6	-72.5	169.4	0	0	0	113.5	L112 N116	L112-L114 PolarHBondContact O-N 2.91Å; L114-N116 PolarHBondContact O-N 3.11Å
115	Y	94.2	Very high	91.8	Very high	28 Å²	28	79.1 Å²	79.1	11%	0.11	40%	0.396	C	S	.	.			trans	-81.3	105.2	-174.1	-171.2	-84.1	0	0	0	112.1	L112 K117 D162 K164 L165 I185 W186	L112-Y115 HydrophobicContact CD2-CD1 4.45Å; L112-Y115 HydrophobicContact CD2-CG 4.26Å; L112-Y115 PolarHBondContact O-N 2.84Å; Y115-K117 HydrophobicContact CD1-CB 4.25Å; Y115-K117 HydrophobicContact CE1-CB 3.87Å; Y115-K117 PolarHBondContact O-N 2.94Å; Y115-D162 WeakPolarHBondContact CE2-OD2 3.47Å; Y115-D162 PolarHBondContact OH-OD2 2.94Å; Y115-K164 HydrophobicContact CD2-CB 4Å; Y115-K164 HydrophobicContact CD2-CD 3.94Å; Y115-K164 HydrophobicContact CE2-CB 3.95Å; Y115-K164 HydrophobicContact CE2-CD 3.7Å; Y115-K164 HydrophobicContact CE2-CG 4.48Å; Y115-L165 HydrophobicContact CD2-CD2 3.68Å; Y115-L165 HydrophobicContact CD2-CG 4.18Å; Y115-L165 HydrophobicContact CE2-CD1 4.15Å; Y115-L165 HydrophobicContact CE2-CD2 3.72Å; Y115-L165 HydrophobicContact CE2-CG 3.71Å; Y115-L165 HydrophobicContact CG-CD2 4.49Å; Y115-I185 HydrophobicContact CE1-CB 4.28Å; Y115-W186 VanDerWaalsContact OH-CB 3.24Å; Y115-W186 WeakPolarHBondContact OH-CB 3.4Å; Y115-W186 PolarHBondContact OH-N 2.91Å
116	N	92.9	Very high	91.9	Very high	91 Å²	91	78.7 Å²	78.7	49%	0.487	41%	0.406	S	S	.	.			trans	-86.1	103.6	171.2	-175.9	-8.9	0	0	0	111.3	L114 L118 A119 K164	L114-N116 PolarHBondContact O-N 3.11Å; N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 3.19Å; N116-L118 WeakPolarHBondContact OD1-CB 3.48Å; N116-L118 PolarHBondContact OD1-N 2.99Å; N116-A119 PolarHBondContact O-N 3.29Å; N116-K164 PolarHBondContact O-NZ 3.19Å
117	K	92.2	Very high	92	Very high	99 Å²	99	78.3 Å²	78.3	43%	0.43	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.3	178.9	71.7	172.7	-176	171.4	0	116.4	Y115 D183 W186	Y115-K117 HydrophobicContact CD1-CB 4.25Å; Y115-K117 HydrophobicContact CE1-CB 3.87Å; Y115-K117 PolarHBondContact O-N 2.94Å; K117-D183 VanDerWaalsContact CD-O 3.24Å; K117-D183 WeakPolarHBondContact CD-O 3.39Å; K117-D183 WeakPolarHBondContact CE-O 3.21Å; K117-D183 PolarHBondContact NZ-O 3.49Å; K117-W186 VanDerWaalsContact O-CD1 3.26Å
118	L	91.4	Very high	92	Very high	143 Å²	143	81.5 Å²	81.5	75%	0.749	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17	175.5	-58	179	0	0	0	112.4	N116	N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 3.19Å; N116-L118 WeakPolarHBondContact OD1-CB 3.48Å; N116-L118 PolarHBondContact OD1-N 2.99Å
119	A	91.3	Very high	92.1	Very high	41 Å²	41	78.9 Å²	78.9	34%	0.339	41%	0.412	S	S	.	.	S	Bend	trans	-99.8	113.1	-175.2	0	0	0	0	0	111.6	N116 K164	N116-A119 PolarHBondContact O-N 3.29Å; A119-K164 PolarHBondContact O-NZ 3.28Å
120	R	92.7	Very high	92.2	Very high	32 Å²	32	75.9 Å²	75.9	12%	0.121	40%	0.402	C	S	.	.			trans	-41.1	130	175.1	-174.9	177.5	59.5	120.5	9.1	112	V122 A125 E127 L129 W186 Y251 Y255	R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CG-CG1 4.42Å; R120-V122 PolarHBondContact O-N 2.89Å; R120-A125 PolarHBondContact NH2-O 3.25Å; R120-E127 PolarHBondContact NH1-O 2.72Å; R120-E127 PolarHBondContact NH2-O 3.44Å; R120-L129 HydrophobicContact CG-CB 4.36Å; R120-L129 HydrophobicContact CG-CD2 4.19Å; R120-W186 HydrophobicContact CG-CZ2 4.31Å; R120-Y251 HydrophobicContact CB-CE1 4.45Å; R120-Y255 PolarHBondContact NH1-O 3.41Å
121	P	93.8	Very high	92.4	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.013	38%	0.382	C	S	.	.			trans	-87	46.9	-162.5	36.6	-40.6	0	0	0	114.9	L129 D162 S163 W186	P121-L129 HydrophobicContact CG-CD1 4.39Å; P121-L129 HydrophobicContact CG-CD2 4.48Å; P121-D162 HydrophobicContact CB-CB 3.94Å; P121-D162 WeakPolarHBondContact CB-OD1 3.26Å; P121-D162 WeakPolarHBondContact CB-OD2 3.18Å; P121-D162 HydrophobicContact CG-CB 4.21Å; P121-S163 PolarHBondContact O-N 3.46Å; P121-S163 PolarHBondContact O-OG 3.13Å; P121-S163 VanDerWaalsContact O-OG 3.06Å; P121-W186 VanDerWaalsContact CD-CD2 3.47Å; P121-W186 HydrophobicContact CG-CD2 4.21Å; P121-W186 HydrophobicContact CG-CE3 3.93Å
122	V	93.2	Very high	92.5	Very high	28 Å²	28	74 Å²	74	17%	0.17	39%	0.392	C	S	.	.			trans	-90.4	158.8	173.9	-68.9	0	0	0	0	111.5	R120 N124 E127 L129	R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CG-CG1 4.42Å; R120-V122 PolarHBondContact O-N 2.89Å; V122-N124 VanDerWaalsContact CG2-O 3.28Å; V122-N124 WeakPolarHBondContact CG2-O 3.07Å; V122-E127 HydrophobicContact CB-CB 4.17Å; V122-E127 HydrophobicContact CG1-CB 4.14Å; V122-L129 HydrophobicContact CG1-CB 4.23Å; V122-L129 HydrophobicContact CG1-CD1 4.42Å
123	K	90.6	Very high	92.6	Very high	165 Å²	165	72.5 Å²	72.5	72%	0.717	38%	0.384	S	S	*	.	S	Bend	trans	-81.4	-42.2	175.8	-65	-177.2	179.4	177.7	0	111	E127 S163	K123-E127 WeakPolarHBondContact CA-OE2 3.41Å; K123-E127 WeakPolarHBondContact CB-OE2 3.47Å; K123-E127 PolarHBondContact N-OE2 3.42Å; K123-S163 VanDerWaalsContact CG-CB 3.48Å; K123-S163 WeakPolarHBondContact CG-OG 2.84Å
124	N	92.6	Very high	92.7	Very high	92 Å²	92	63.4 Å²	63.4	49%	0.492	35%	0.35	S	S	.	.	S	Bend	trans	-114.6	140.2	174.6	-63.3	-72.9	0	0	0	110.3	V122 S126 E127	V122-N124 VanDerWaalsContact CG2-O 3.28Å; V122-N124 WeakPolarHBondContact CG2-O 3.07Å; N124-S126 PolarHBondContact O-N 3.08Å; N124-S126 VanDerWaalsContact O-N 3.09Å; N124-E127 HydrophobicContact CB-CG 4.02Å; N124-E127 PolarHBondContact N-OE2 2.9Å; N124-E127 PolarHBondContact ND2-OE1 2.72Å; N124-E127 WeakPolarHBondContact O-CB 3.34Å; N124-E127 PolarHBondContact O-N 3.08Å
125	A	89.3	Confident	92.9	Very high	80 Å²	80	56.2 Å²	56.2	66%	0.661	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	-179.8	0	0	0	0	0	113.8	R120	R120-A125 PolarHBondContact NH2-O 3.25Å
126	S	90.9	Very high	92.8	Very high	110 Å²	110	55.4 Å²	55.4	77%	0.769	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7	176.5	52	0	0	0	0	115	N124	N124-S126 PolarHBondContact O-N 3.08Å; N124-S126 VanDerWaalsContact O-N 3.09Å
127	E	93.4	Very high	92.8	Very high	73 Å²	73	51 Å²	51	34%	0.341	29%	0.288	S	S	.	.	S	Bend	trans	-74.9	143.3	174.4	-73.4	158.5	-176.4	0	0	110.3	R120 V122 K123 N124	R120-E127 PolarHBondContact NH1-O 2.72Å; R120-E127 PolarHBondContact NH2-O 3.44Å; V122-E127 HydrophobicContact CB-CB 4.17Å; V122-E127 HydrophobicContact CG1-CB 4.14Å; K123-E127 WeakPolarHBondContact CA-OE2 3.41Å; K123-E127 WeakPolarHBondContact CB-OE2 3.47Å; K123-E127 PolarHBondContact N-OE2 3.42Å; N124-E127 HydrophobicContact CB-CG 4.02Å; N124-E127 PolarHBondContact N-OE2 2.9Å; N124-E127 PolarHBondContact ND2-OE1 2.72Å; N124-E127 WeakPolarHBondContact O-CB 3.34Å; N124-E127 PolarHBondContact O-N 3.08Å
128	V	93.1	Very high	92.8	Very high	68 Å²	68	47 Å²	47	41%	0.412	27%	0.271	S	S	.	.			trans	-85.5	131.7	171.3	-165.3	0	0	0	0	108.3	V130 D257	V128-V130 PolarHBondContact O-N 3.38Å; V128-D257 HydrophobicContact CG1-CB 3.8Å
129	L	94.4	Very high	92.9	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.6	172	-175.5	71	0	0	0	109	R120 P121 V122 I131 W186 Y255 L256 D257	R120-L129 HydrophobicContact CG-CB 4.36Å; R120-L129 HydrophobicContact CG-CD2 4.19Å; P121-L129 HydrophobicContact CG-CD1 4.39Å; P121-L129 HydrophobicContact CG-CD2 4.48Å; V122-L129 HydrophobicContact CG1-CB 4.23Å; V122-L129 HydrophobicContact CG1-CD1 4.42Å; L129-I131 HydrophobicContact CD2-CD1 4.38Å; L129-I131 HydrophobicContact CD2-CG1 4.26Å; L129-I131 HydrophobicContact CG-CG1 4.3Å; L129-W186 HydrophobicContact CD2-CE3 4.26Å; L129-W186 HydrophobicContact CD2-CH2 3.23Å; L129-W186 HydrophobicContact CD2-CZ2 4.06Å; L129-W186 HydrophobicContact CD2-CZ3 3.36Å; L129-Y255 PolarHBondContact N-O 3.4Å; L129-L256 WeakPolarHBondContact O-CA 3.2Å; L129-D257 PolarHBondContact O-N 2.68Å
130	V	94.7	Very high	93.1	Very high	48 Å²	48	44 Å²	44	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.4	173.5	-178.7	0	0	0	0	109.3	V128 D257 R259	V128-V130 PolarHBondContact O-N 3.38Å; V130-D257 WeakPolarHBondContact CA-O 3.45Å; V130-R259 HydrophobicContact CG1-CG 4.17Å
131	I	95.3	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118	174.9	-54.1	172.6	0	0	0	107.7	L129 W160 W186 P188 I190 L256 D257 M258 R259	L129-I131 HydrophobicContact CD2-CD1 4.38Å; L129-I131 HydrophobicContact CD2-CG1 4.26Å; L129-I131 HydrophobicContact CG-CG1 4.3Å; I131-W160 HydrophobicContact CG1-CB 4.29Å; I131-W186 HydrophobicContact CD1-CH2 4.4Å; I131-P188 HydrophobicContact CD1-CB 3.46Å; I131-P188 VanDerWaalsContact CD1-CB 3.46Å; I131-P188 HydrophobicContact CD1-CG 4.13Å; I131-I190 HydrophobicContact CD1-CD1 4.5Å; I131-I190 HydrophobicContact CG2-CD1 4.24Å; I131-L256 HydrophobicContact CD1-CD1 3.69Å; I131-L256 HydrophobicContact CD1-CD2 3.93Å; I131-L256 HydrophobicContact CD1-CG 3.67Å; I131-L256 HydrophobicContact CG1-CG 4.49Å; I131-D257 PolarHBondContact N-O 3.44Å; I131-M258 CarbonylContact O-C 3.57Å; I131-M258 WeakPolarHBondContact O-CA 3.5Å; I131-R259 PolarHBondContact O-N 2.9Å
132	N	94.6	Very high	93	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.8	168.1	-50.3	-59.3	0	0	0	107.6	Q159 R259 I261	N132-Q159 HydrophobicContact CB-CB 4.31Å; N132-Q159 PolarHBondContact N-O 3.17Å; N132-Q159 PolarHBondContact O-N 2.86Å; N132-R259 CarbonylContact C-O 3.59Å; N132-R259 WeakPolarHBondContact CA-O 3.39Å; N132-I261 HydrophobicContact CB-CD1 4.28Å; N132-I261 HydrophobicContact CB-CG1 3.73Å
133	F	94.7	Very high	93	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.3	-175.1	-179.6	-109.8	0	0	0	110.4	L156 E157 M158 I190 F246 R259 Q260 I261 I323 F325	F133-L156 HydrophobicContact CE2-CB 4.34Å; F133-L156 HydrophobicContact CE2-CD1 4.22Å; F133-L156 HydrophobicContact CE2-CD2 4.33Å; F133-L156 HydrophobicContact CZ-CD1 4.44Å; F133-L156 HydrophobicContact CZ-CD2 4.09Å; F133-E157 CarbonylContact C-O 3.52Å; F133-E157 WeakPolarHBondContact CA-O 3.15Å; F133-M158 HydrophobicContact CD2-CG 3.79Å; F133-M158 HydrophobicContact CE2-CG 4.24Å; F133-I190 HydrophobicContact CD2-CD1 3.96Å; F133-I190 HydrophobicContact CD2-CG2 4.47Å; F133-I190 HydrophobicContact CE2-CD1 4.37Å; F133-I190 HydrophobicContact CE2-CG2 3.92Å; F133-I190 HydrophobicContact CZ-CG2 4.07Å; F133-F246 HydrophobicContact CE1-CB 3.72Å; F133-F246 HydrophobicContact CE1-CD2 4.35Å; F133-F246 HydrophobicContact CE1-CG 4.07Å; F133-F246 HydrophobicContact CZ-CB 3.77Å; F133-F246 HydrophobicContact CZ-CD1 4.08Å; F133-F246 HydrophobicContact CZ-CD2 4.25Å; F133-F246 AromaticContact CZ-CG 3.78Å; F133-F246 HydrophobicContact CZ-CG 3.78Å; F133-R259 PolarHBondContact N-O 3.2Å; F133-Q260 CarbonylContact O-C 3.55Å; F133-Q260 WeakPolarHBondContact O-CA 3.45Å; F133-I261 PolarHBondContact O-N 3.23Å; F133-I323 HydrophobicContact CB-CD1 4.01Å; F133-I323 HydrophobicContact CD1-CB 4.08Å; F133-I323 HydrophobicContact CD1-CD1 3.79Å; F133-I323 HydrophobicContact CD1-CG2 4.11Å; F133-I323 HydrophobicContact CE1-CB 4.37Å; F133-I323 HydrophobicContact CE1-CG2 4.32Å; F133-I323 HydrophobicContact CG-CD1 4.38Å; F133-F325 HydrophobicContact CD1-CZ 4.19Å; F133-F325 AromaticContact CE1-CE2 3.64Å; F133-F325 HydrophobicContact CE1-CE2 3.64Å; F133-F325 AromaticContact CE1-CZ 3.64Å; F133-F325 HydrophobicContact CE1-CZ 3.64Å; F133-F325 HydrophobicContact CZ-CE2 4.21Å; F133-F325 HydrophobicContact CZ-CZ 4.4Å
134	G	92.6	Very high	93.1	Very high	7 Å²	7	42.8 Å²	42.8	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	179.6	173	0	0	0	0	0	110.4	E157	G134-E157 PolarHBondContact N-O 2.66Å; G134-E157 PolarHBondContact O-N 3.3Å
135	A	93.2	Very high	93	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	145.6	172.5	0	0	0	0	0	110.6	W155 L156 M286 D287 F325	A135-W155 CarbonylContact C-O 3.56Å; A135-W155 VanDerWaalsContact CA-O 3.28Å; A135-W155 WeakPolarHBondContact CA-O 3.2Å; A135-L156 HydrophobicContact CB-CD2 3.92Å; A135-M286 HydrophobicContact CB-CE 3.7Å; A135-M286 HydrophobicContact CB-CG 4.37Å; A135-M286 CarbonylContact O-C 3.52Å; A135-M286 WeakPolarHBondContact O-CA 3.32Å; A135-M286 WeakPolarHBondContact O-CB 3.19Å; A135-D287 PolarHBondContact O-N 3.22Å; A135-F325 HydrophobicContact CB-CE1 4.43Å; A135-F325 HydrophobicContact CB-CE2 4.14Å; A135-F325 HydrophobicContact CB-CZ 3.86Å
136	S	91.8	Very high	93	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.5	167.6	-55.3	0	0	0	0	109.4	I138 L154 W155 D287	S136-I138 PolarHBondContact O-N 2.68Å; S136-L154 WeakPolarHBondContact O-CA 3.43Å; S136-W155 PolarHBondContact N-O 3.38Å; S136-W155 PolarHBondContact O-N 3.34Å; S136-W155 VanDerWaalsContact O-N 3.08Å; S136-D287 CarbonylContact C-O 3.49Å; S136-D287 VanDerWaalsContact CA-O 3.31Å; S136-D287 WeakPolarHBondContact CA-O 3.36Å; S136-D287 VanDerWaalsContact CB-OD2 3.31Å; S136-D287 WeakPolarHBondContact CB-OD2 3.45Å; S136-D287 WeakPolarHBondContact OG-CB 3.49Å; S136-D287 PolarHBondContact OG-OD2 2.9Å
137	L	93.6	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	102.9	173.3	178.1	61	0	0	0	108.9	I140 T152 L154 M286 D287 L288 F291 L299 L302	L137-I140 HydrophobicContact CD2-CG1 4.48Å; L137-T152 HydrophobicContact CD1-CG2 4.07Å; L137-L154 HydrophobicContact CB-CD2 4.39Å; L137-L154 HydrophobicContact CD1-CD2 3.49Å; L137-L154 VanDerWaalsContact CD1-CD2 3.49Å; L137-M286 HydrophobicContact CB-CE 3.87Å; L137-D287 PolarHBondContact N-O 3.05Å; L137-L288 HydrophobicContact CB-CD2 4.09Å; L137-L288 HydrophobicContact CD2-CD2 4.26Å; L137-F291 HydrophobicContact CD2-CD2 4.12Å; L137-F291 HydrophobicContact CD2-CE2 3.81Å; L137-F291 HydrophobicContact CG-CD2 3.89Å; L137-F291 HydrophobicContact CG-CE2 3.94Å; L137-F291 WeakPolarHBondContact O-CD2 3.42Å; L137-L299 HydrophobicContact CD2-CD2 4.21Å; L137-L302 HydrophobicContact CB-CD2 4.13Å; L137-L302 HydrophobicContact CD2-CD1 4.47Å; L137-L302 HydrophobicContact CD2-CD2 3.71Å
138	I	92	Very high	92.9	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-45.8	-178.1	-48.9	-56.8	0	0	0	110.6	S136 N153 W155 Y290 F291 Y292	S136-I138 PolarHBondContact O-N 2.68Å; I138-N153 HydrophobicContact CB-CB 4.38Å; I138-N153 WeakPolarHBondContact CB-O 3.44Å; I138-N153 PolarHBondContact N-O 2.84Å; I138-W155 HydrophobicContact CD1-CB 4.41Å; I138-W155 HydrophobicContact CD1-CD2 3.71Å; I138-W155 HydrophobicContact CD1-CE3 4.11Å; I138-W155 HydrophobicContact CD1-CG 3.82Å; I138-W155 HydrophobicContact CG1-CD2 4.1Å; I138-W155 HydrophobicContact CG1-CG 3.84Å; I138-Y290 HydrophobicContact CD1-CD2 4.48Å; I138-Y290 HydrophobicContact CD1-CG 4.38Å; I138-F291 CarbonylContact O-C 3.57Å; I138-F291 WeakPolarHBondContact O-CA 3.48Å; I138-Y292 PolarHBondContact O-N 3.36Å
139	R	93	Very high	93	Very high	121 Å²	121	37 Å²	37	46%	0.457	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	137.8	-179.9	175.3	167.8	173.6	-177.7	-1.8	112.2	I141 N153	R139-I141 HydrophobicContact CG-CG1 4.45Å; R139-I141 PolarHBondContact O-N 2.82Å; R139-N153 HydrophobicContact CB-CB 4.39Å; R139-N153 PolarHBondContact N-O 3.26Å; R139-N153 PolarHBondContact O-N 2.64Å
140	I	94.7	Very high	93.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.6	158.7	-58.6	153.5	0	0	0	106.7	L137 V143 L150 F291 L329	L137-I140 HydrophobicContact CD2-CG1 4.48Å; I140-V143 HydrophobicContact CG2-CG2 4.18Å; I140-L150 HydrophobicContact CG2-CD1 4.15Å; I140-F291 HydrophobicContact CD1-CE2 4.24Å; I140-F291 HydrophobicContact CD1-CZ 4.18Å; I140-F291 HydrophobicContact CG1-CE2 4.42Å; I140-L329 HydrophobicContact CD1-CD1 4.38Å; I140-L329 HydrophobicContact CD1-CD2 3.47Å; I140-L329 VanDerWaalsContact CD1-CD2 3.47Å; I140-L329 HydrophobicContact CG2-CD1 4.49Å
141	I	92.6	Very high	93.1	Very high	66 Å²	66	35.1 Å²	35.1	34%	0.338	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-52.8	-176.7	-67.6	167.2	0	0	0	109.5	R139 T151 N153 I223	R139-I141 HydrophobicContact CG-CG1 4.45Å; R139-I141 PolarHBondContact O-N 2.82Å; I141-T151 HydrophobicContact CB-CG2 4.06Å; I141-T151 HydrophobicContact CD1-CG2 4.17Å; I141-T151 HydrophobicContact CG2-CG2 4.31Å; I141-T151 PolarHBondContact N-O 3.1Å; I141-N153 HydrophobicContact CD1-CB 3.98Å; I141-N153 HydrophobicContact CG1-CB 4.35Å; I141-I223 HydrophobicContact CD1-CD1 4.05Å; I141-I223 HydrophobicContact CD1-CG1 3.99Å; I141-I223 HydrophobicContact CD1-CG2 3.86Å
142	D	93.2	Very high	93	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	156.4	-172.6	-161	5.1	0	0	0	110.9	T151	D142-T151 PolarHBondContact N-O 3.49Å; D142-T151 PolarHBondContact O-N 3.12Å
143	V	93.6	Very high	93	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	86.8	173	-174.6	0	0	0	0	106.8	I140 E145 L150 I230 W297 L329	I140-V143 HydrophobicContact CG2-CG2 4.18Å; V143-E145 PolarHBondContact O-N 3.49Å; V143-L150 HydrophobicContact CG2-CD1 3.86Å; V143-I230 HydrophobicContact CG1-CD1 3.95Å; V143-W297 HydrophobicContact CB-CZ2 3.87Å; V143-W297 HydrophobicContact CG1-CZ2 3.97Å; V143-W297 HydrophobicContact CG2-CD2 4.24Å; V143-W297 HydrophobicContact CG2-CG 4.32Å; V143-W297 HydrophobicContact CG2-CZ2 4.18Å; V143-L329 HydrophobicContact CG2-CD1 4.06Å
144	D	92.8	Very high	92.9	Very high	50 Å²	50	34.3 Å²	34.3	27%	0.267	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	96.4	-179.3	-177.4	-26.4	0	0	0	108.6	K146 N147 Q148 V149	D144-K146 PolarHBondContact O-N 3.11Å; D144-K146 WeakPolarHBondContact OD1-CB 3.07Å; D144-K146 PolarHBondContact OD1-N 3.27Å; D144-K146 VanDerWaalsContact OD1-N 3.15Å; D144-N147 PolarHBondContact OD1-N 3.09Å; D144-N147 PolarHBondContact OD1-ND2 3.31Å; D144-N147 PolarHBondContact OD2-ND2 3.05Å; D144-Q148 WeakPolarHBondContact O-CA 3.26Å; D144-Q148 PolarHBondContact O-N 3.3Å; D144-V149 HydrophobicContact CB-CB 4.48Å; D144-V149 PolarHBondContact N-O 3Å; D144-V149 PolarHBondContact O-N 3.31Å
145	E	90.3	Very high	92.9	Very high	28 Å²	28	37 Å²	37	13%	0.131	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.5	-177.1	-57.1	89.5	167.8	0	0	111.9	V143 Q148 I230 R331 P387	V143-E145 PolarHBondContact O-N 3.49Å; E145-Q148 PolarHBondContact O-N 3.22Å; E145-I230 HydrophobicContact CB-CG1 4.33Å; E145-I230 HydrophobicContact CB-CG2 4.12Å; E145-I230 HydrophobicContact CG-CG1 4.41Å; E145-I230 HydrophobicContact CG-CG2 3.98Å; E145-R331 IonicContact OE1-CZ 3.38Å; E145-R331 IonicContact OE1-NH1 3.33Å; E145-R331 PolarHBondContact OE1-NH1 2.9Å; E145-R331 IonicContact OE1-NH2 2.75Å; E145-R331 PolarHBondContact OE1-NH2 3.22Å; E145-P387 HydrophobicContact CB-CG 4.38Å; E145-P387 VanDerWaalsContact O-CB 3.27Å; E145-P387 WeakPolarHBondContact O-CB 3.44Å; E145-P387 WeakPolarHBondContact O-CG 3.27Å
146	K	88.2	Confident	92.8	Very high	99 Å²	99	36.8 Å²	36.8	43%	0.43	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.1	-174.2	-173.7	172.4	-165.2	144.3	0	112.3	D144 D384	D144-K146 PolarHBondContact O-N 3.11Å; D144-K146 WeakPolarHBondContact OD1-CB 3.07Å; D144-K146 PolarHBondContact OD1-N 3.27Å; D144-K146 VanDerWaalsContact OD1-N 3.15Å; K146-D384 PolarHBondContact NZ-O 2.87Å
147	N	90.7	Very high	92.9	Very high	104 Å²	104	37.6 Å²	37.6	56%	0.556	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.8	175.4	-62.8	-53.5	0	0	0	113	D144 V149	D144-N147 PolarHBondContact OD1-N 3.09Å; D144-N147 PolarHBondContact OD1-ND2 3.31Å; D144-N147 PolarHBondContact OD2-ND2 3.05Å; N147-V149 HydrophobicContact CB-CG2 4.26Å
148	Q	92.6	Very high	92.9	Very high	54 Å²	54	37.7 Å²	37.7	25%	0.252	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	46.3	-179.2	-56.8	-165.6	-61.5	0	0	113.6	D144 E145 C228	D144-Q148 WeakPolarHBondContact O-CA 3.26Å; D144-Q148 PolarHBondContact O-N 3.3Å; E145-Q148 PolarHBondContact O-N 3.22Å; Q148-C228 CarbonylContact C-O 3.57Å; Q148-C228 WeakPolarHBondContact CB-O 3.2Å; Q148-C228 PolarHBondContact O-N 3.05Å
149	V	94.6	Very high	93	Very high	17 Å²	17	38.3 Å²	38.3	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.3	-175	-178.2	0	0	0	0	112.4	D144 N147 A196 K225 S226 F227	D144-V149 HydrophobicContact CB-CB 4.48Å; D144-V149 PolarHBondContact N-O 3Å; D144-V149 PolarHBondContact O-N 3.31Å; N147-V149 HydrophobicContact CB-CG2 4.26Å; V149-A196 HydrophobicContact CB-CB 4.42Å; V149-A196 HydrophobicContact CG1-CB 3.89Å; V149-A196 HydrophobicContact CG2-CB 3.63Å; V149-K225 HydrophobicContact CG1-CB 3.73Å; V149-K225 HydrophobicContact CG1-CD 4.35Å; V149-K225 HydrophobicContact CG1-CG 4.21Å; V149-S226 WeakPolarHBondContact CA-O 3.49Å; V149-F227 HydrophobicContact CG2-CD1 4.45Å
150	L	95.3	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.4	167	166.3	65.7	0	0	0	109.8	I140 V143 T152 K225 S226 C228 C242 I327 L329	I140-L150 HydrophobicContact CG2-CD1 4.15Å; V143-L150 HydrophobicContact CG2-CD1 3.86Å; L150-T152 HydrophobicContact CD1-CG2 3.89Å; L150-T152 HydrophobicContact CD2-CG2 4.12Å; L150-T152 HydrophobicContact CG-CG2 3.94Å; L150-K225 WeakPolarHBondContact O-CA 3.26Å; L150-S226 PolarHBondContact N-O 3.44Å; L150-S226 PolarHBondContact O-N 3.22Å; L150-S226 PolarHBondContact O-OG 2.88Å; L150-C228 HydrophobicContact CB-CB 4.09Å; L150-C242 HydrophobicContact CB-CB 4.43Å; L150-C242 HydrophobicContact CD2-CB 3.45Å; L150-C242 VanDerWaalsContact CD2-CB 3.45Å; L150-I327 HydrophobicContact CD2-CD1 4.19Å; L150-L329 HydrophobicContact CD1-CD1 4.24Å
151	T	94.9	Very high	93.2	Very high	15 Å²	15	36.6 Å²	36.6	9%	0.092	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.6	176.8	-54.1	0	0	0	0	111.3	I141 D142 I223 Y224 K225	I141-T151 HydrophobicContact CB-CG2 4.06Å; I141-T151 HydrophobicContact CD1-CG2 4.17Å; I141-T151 HydrophobicContact CG2-CG2 4.31Å; I141-T151 PolarHBondContact N-O 3.1Å; D142-T151 PolarHBondContact N-O 3.49Å; D142-T151 PolarHBondContact O-N 3.12Å; T151-I223 HydrophobicContact CG2-CG2 3.68Å; T151-Y224 WeakPolarHBondContact CA-O 3.49Å; T151-K225 HydrophobicContact CG2-CG 4.12Å
152	T	94.6	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.7	-178.3	50.4	0	0	0	0	112.2	L137 L150 I223 Y224 M244 I327	L137-T152 HydrophobicContact CD1-CG2 4.07Å; L150-T152 HydrophobicContact CD1-CG2 3.89Å; L150-T152 HydrophobicContact CD2-CG2 4.12Å; L150-T152 HydrophobicContact CG-CG2 3.94Å; T152-I223 CarbonylContact O-C 3.52Å; T152-I223 WeakPolarHBondContact O-CA 3.4Å; T152-Y224 PolarHBondContact N-O 2.83Å; T152-Y224 PolarHBondContact O-N 2.72Å; T152-M244 HydrophobicContact CG2-SD 4.37Å; T152-M244 WeakPolarHBondContact OG1-CE 3.3Å; T152-M244 PolarHBondContact OG1-SD 2.96Å; T152-I327 HydrophobicContact CG2-CD1 4.44Å
153	N	93.2	Very high	93.3	Very high	44 Å²	44	31.1 Å²	31.1	24%	0.235	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.5	164	-177	3.1	0	0	0	108.3	I138 R139 I141	I138-N153 HydrophobicContact CB-CB 4.38Å; I138-N153 WeakPolarHBondContact CB-O 3.44Å; I138-N153 PolarHBondContact N-O 2.84Å; R139-N153 HydrophobicContact CB-CB 4.39Å; R139-N153 PolarHBondContact N-O 3.26Å; R139-N153 PolarHBondContact O-N 2.64Å; I141-N153 HydrophobicContact CD1-CB 3.98Å; I141-N153 HydrophobicContact CG1-CB 4.35Å
154	L	93.4	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144	178.7	-53.1	-171.1	0	0	0	110.2	S136 L137 L156 G222 Y224 M244 F246 M286	S136-L154 WeakPolarHBondContact O-CA 3.43Å; L137-L154 HydrophobicContact CB-CD2 4.39Å; L137-L154 HydrophobicContact CD1-CD2 3.49Å; L137-L154 VanDerWaalsContact CD1-CD2 3.49Å; L154-L156 HydrophobicContact CB-CD2 4.44Å; L154-L156 HydrophobicContact CD1-CD2 4.38Å; L154-G222 PolarHBondContact N-O 2.91Å; L154-G222 PolarHBondContact O-N 3.15Å; L154-Y224 HydrophobicContact CB-CD2 3.82Å; L154-Y224 HydrophobicContact CB-CE2 4.03Å; L154-Y224 HydrophobicContact CD1-CD2 3.97Å; L154-Y224 HydrophobicContact CG-CD2 3.91Å; L154-M244 HydrophobicContact CD1-CE 3.68Å; L154-M244 HydrophobicContact CD1-SD 4.08Å; L154-F246 HydrophobicContact CD1-CE2 4.31Å; L154-F246 HydrophobicContact CD1-CZ 4.15Å; L154-M286 HydrophobicContact CD1-CE 4.05Å; L154-M286 HydrophobicContact CD2-CE 3.51Å; L154-M286 HydrophobicContact CG-CE 4.37Å
155	W	91.8	Very high	93.3	Very high	64 Å²	64	32.4 Å²	32.4	24%	0.242	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.9	156.6	-64.9	-1.3	0	0	0	106.4	A135 S136 I138 P221 Y290 L613	A135-W155 CarbonylContact C-O 3.56Å; A135-W155 VanDerWaalsContact CA-O 3.28Å; A135-W155 WeakPolarHBondContact CA-O 3.2Å; S136-W155 PolarHBondContact N-O 3.38Å; S136-W155 PolarHBondContact O-N 3.34Å; S136-W155 VanDerWaalsContact O-N 3.08Å; I138-W155 HydrophobicContact CD1-CB 4.41Å; I138-W155 HydrophobicContact CD1-CD2 3.71Å; I138-W155 HydrophobicContact CD1-CE3 4.11Å; I138-W155 HydrophobicContact CD1-CG 3.82Å; I138-W155 HydrophobicContact CG1-CD2 4.1Å; I138-W155 HydrophobicContact CG1-CG 3.84Å; W155-P221 HydrophobicContact CG-CB 4.46Å; W155-Y290 HydrophobicContact CZ3-CD2 4.46Å; W155-Y290 HydrophobicContact CZ3-CE2 4.29Å; W155-L613 HydrophobicContact CH2-CD2 3.47Å; W155-L613 VanDerWaalsContact CH2-CD2 3.47Å; W155-L613 HydrophobicContact CZ2-CD2 4.02Å; W155-L613 HydrophobicContact CZ3-CD2 4.2Å
156	L	92.7	Very high	93.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.8	171.6	-60.7	-172.2	0	0	0	108.2	F133 A135 L154 M158 K219 P220 Y224 F246	F133-L156 HydrophobicContact CE2-CB 4.34Å; F133-L156 HydrophobicContact CE2-CD1 4.22Å; F133-L156 HydrophobicContact CE2-CD2 4.33Å; F133-L156 HydrophobicContact CZ-CD1 4.44Å; F133-L156 HydrophobicContact CZ-CD2 4.09Å; A135-L156 HydrophobicContact CB-CD2 3.92Å; L154-L156 HydrophobicContact CB-CD2 4.44Å; L154-L156 HydrophobicContact CD1-CD2 4.38Å; L156-M158 HydrophobicContact CB-CE 4.17Å; L156-K219 CarbonylContact O-C 3.51Å; L156-K219 WeakPolarHBondContact O-CA 3.12Å; L156-P220 HydrophobicContact CB-CG 4.46Å; L156-P220 PolarHBondContact N-O 2.92Å; L156-P220 VanDerWaalsContact N-O 3.15Å; L156-Y224 HydrophobicContact CD1-CE2 4.38Å; L156-Y224 VanDerWaalsContact CD1-OH 3.22Å; L156-Y224 WeakPolarHBondContact CD1-OH 3.39Å; L156-Y224 HydrophobicContact CD2-CE2 4.35Å; L156-Y224 HydrophobicContact CG-CE2 4.12Å; L156-F246 HydrophobicContact CD1-CD1 4.39Å; L156-F246 HydrophobicContact CD1-CE1 3.95Å; L156-F246 HydrophobicContact CD2-CE1 4.09Å; L156-F246 HydrophobicContact CD2-CZ 3.96Å
157	E	92.5	Very high	93.7	Very high	27 Å²	27	30.8 Å²	30.8	13%	0.126	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.9	172	178.5	163.1	-173.1	0	0	109.6	F133 G134 Q159 K219 I261	F133-E157 CarbonylContact C-O 3.52Å; F133-E157 WeakPolarHBondContact CA-O 3.15Å; G134-E157 PolarHBondContact N-O 2.66Å; G134-E157 PolarHBondContact O-N 3.3Å; E157-Q159 HydrophobicContact CG-CG 4.32Å; E157-Q159 PolarHBondContact OE1-NE2 3.48Å; E157-K219 HydrophobicContact CB-CD 4.5Å; E157-K219 HydrophobicContact CB-CG 4.47Å; E157-K219 HydrophobicContact CG-CD 4.27Å; E157-K219 HydrophobicContact CG-CG 4.27Å; E157-K219 WeakPolarHBondContact OE1-CE 3.5Å; E157-K219 IonicContact OE1-NZ 2.86Å; E157-K219 PolarHBondContact OE1-NZ 2.85Å; E157-K219 WeakPolarHBondContact OE2-CE 3.46Å; E157-K219 IonicContact OE2-NZ 3.99Å; E157-K219 PolarHBondContact OE2-NZ 3.3Å; E157-I261 HydrophobicContact CB-CD1 4.27Å; E157-I261 HydrophobicContact CG-CD1 3.68Å
158	M	93.4	Very high	93.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	176.4	-71.8	164.5	-79.2	0	0	108.9	F133 L156 W160 P188 I190 I202 M217 W218 P220	F133-M158 HydrophobicContact CD2-CG 3.79Å; F133-M158 HydrophobicContact CE2-CG 4.24Å; L156-M158 HydrophobicContact CB-CE 4.17Å; M158-W160 HydrophobicContact CB-CE3 4.09Å; M158-W160 HydrophobicContact CB-CZ3 3.8Å; M158-P188 HydrophobicContact SD-CG 3.81Å; M158-I190 HydrophobicContact CG-CD1 4.14Å; M158-I190 HydrophobicContact SD-CD1 4.05Å; M158-I202 HydrophobicContact CE-CD1 4.01Å; M158-M217 WeakPolarHBondContact O-CA 3.27Å; M158-W218 HydrophobicContact CE-CD2 4.07Å; M158-W218 HydrophobicContact CE-CE3 3.33Å; M158-W218 HydrophobicContact CE-CZ3 3.67Å; M158-W218 PolarHBondContact N-O 3.17Å; M158-W218 PolarHBondContact O-N 2.94Å; M158-W218 HydrophobicContact SD-CE3 3.97Å; M158-W218 HydrophobicContact SD-CZ3 4.2Å; M158-P220 HydrophobicContact CE-CG 3.46Å; M158-P220 VanDerWaalsContact CE-CG 3.46Å
159	Q	95.1	Very high	93.9	Very high	26 Å²	26	28.5 Å²	28.5	12%	0.121	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	172.4	-52.4	-179.1	19	0	0	109.8	N132 E157 V216 M217 I261	N132-Q159 HydrophobicContact CB-CB 4.31Å; N132-Q159 PolarHBondContact N-O 3.17Å; N132-Q159 PolarHBondContact O-N 2.86Å; E157-Q159 HydrophobicContact CG-CG 4.32Å; E157-Q159 PolarHBondContact OE1-NE2 3.48Å; Q159-V216 VanDerWaalsContact CA-O 3.29Å; Q159-V216 WeakPolarHBondContact CA-O 3.43Å; Q159-M217 HydrophobicContact CG-CE 4.48Å; Q159-M217 HydrophobicContact CG-CG 4.27Å; Q159-I261 HydrophobicContact CG-CD1 4.28Å
160	W	95.5	Very high	93.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	176.1	173.3	66.9	97.6	0	0	0	110.3	I131 M158 I185 W186 T187 P188 V216 W218	I131-W160 HydrophobicContact CG1-CB 4.29Å; M158-W160 HydrophobicContact CB-CE3 4.09Å; M158-W160 HydrophobicContact CB-CZ3 3.8Å; W160-I185 HydrophobicContact CZ2-CD1 4.09Å; W160-W186 VanDerWaalsContact CZ2-O 3.26Å; W160-W186 WeakPolarHBondContact CZ2-O 3.49Å; W160-W186 AromaticContact NE1-CE3 3.92Å; W160-T187 HydrophobicContact CH2-CG2 4.27Å; W160-T187 HydrophobicContact CZ2-CG2 4.46Å; W160-P188 HydrophobicContact CE3-CG 4.35Å; W160-P188 HydrophobicContact CZ3-CG 4.25Å; W160-V216 HydrophobicContact CD2-CB 3.98Å; W160-V216 HydrophobicContact CD2-CG1 4.32Å; W160-V216 HydrophobicContact CE3-CB 4.47Å; W160-V216 HydrophobicContact CG-CB 4.4Å; W160-V216 HydrophobicContact CH2-CB 4.42Å; W160-V216 HydrophobicContact CH2-CG1 3.7Å; W160-V216 HydrophobicContact CZ2-CB 3.92Å; W160-V216 HydrophobicContact CZ2-CG1 3.46Å; W160-V216 VanDerWaalsContact CZ2-CG1 3.46Å; W160-V216 HydrophobicContact CZ2-CG2 4.43Å; W160-V216 HydrophobicContact CZ3-CG1 4.22Å; W160-V216 PolarHBondContact N-O 3.34Å; W160-V216 VanDerWaalsContact N-O 3.08Å; W160-V216 PolarHBondContact O-N 3.24Å; W160-W218 HydrophobicContact CH2-CB 3.83Å; W160-W218 HydrophobicContact CH2-CE3 4.2Å; W160-W218 HydrophobicContact CH2-CG 4.47Å; W160-W218 HydrophobicContact CZ3-CB 3.78Å; W160-W218 HydrophobicContact CZ3-CE3 4.39Å
161	T	95.4	Very high	93.5	Very high	83 Å²	83	39 Å²	39	51%	0.509	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.9	172	-57.6	0	0	0	0	108.7	G214	T161-G214 CarbonylContact C-O 3.5Å; T161-G214 WeakPolarHBondContact CA-O 3.1Å
162	D	95.7	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-101.2	115.1	173.9	-172.6	-46.1	0	0	0	109.4	Y115 P121 K164 L165 G214 V216	Y115-D162 WeakPolarHBondContact CE2-OD2 3.47Å; Y115-D162 PolarHBondContact OH-OD2 2.94Å; P121-D162 HydrophobicContact CB-CB 3.94Å; P121-D162 WeakPolarHBondContact CB-OD1 3.26Å; P121-D162 WeakPolarHBondContact CB-OD2 3.18Å; P121-D162 HydrophobicContact CG-CB 4.21Å; D162-K164 PolarHBondContact O-N 2.94Å; D162-K164 WeakPolarHBondContact OD1-CA 3.3Å; D162-K164 VanDerWaalsContact OD1-CB 3.27Å; D162-K164 WeakPolarHBondContact OD1-CB 2.94Å; D162-K164 PolarHBondContact OD1-N 3.23Å; D162-L165 HydrophobicContact CB-CB 4.16Å; D162-L165 HydrophobicContact CB-CD1 3.98Å; D162-L165 HydrophobicContact CB-CG 4.12Å; D162-L165 PolarHBondContact O-N 2.92Å; D162-L165 PolarHBondContact OD1-N 2.9Å; D162-G214 PolarHBondContact N-O 3.46Å; D162-G214 WeakPolarHBondContact O-CA 3.43Å; D162-V216 HydrophobicContact CB-CG2 3.95Å
163	S	93.1	Very high	92.8	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	24%	0.238	C	C	.	.	S	Bend	trans	-74.7	-4.4	-176.5	67.3	0	0	0	0	115.1	P121 K123	P121-S163 PolarHBondContact O-N 3.46Å; P121-S163 PolarHBondContact O-OG 3.13Å; P121-S163 VanDerWaalsContact O-OG 3.06Å; K123-S163 VanDerWaalsContact CG-CB 3.48Å; K123-S163 WeakPolarHBondContact CG-OG 2.84Å
164	K	91.7	Very high	92.6	Very high	78 Å²	78	42.4 Å²	42.4	34%	0.339	25%	0.249	S	C	.	.	S	Bend	trans	-98.4	-30.7	177.7	-51.8	162.7	-174.1	162.7	0	111.4	Y115 N116 A119 D162 V166	Y115-K164 HydrophobicContact CD2-CB 4Å; Y115-K164 HydrophobicContact CD2-CD 3.94Å; Y115-K164 HydrophobicContact CE2-CB 3.95Å; Y115-K164 HydrophobicContact CE2-CD 3.7Å; Y115-K164 HydrophobicContact CE2-CG 4.48Å; N116-K164 PolarHBondContact O-NZ 3.19Å; A119-K164 PolarHBondContact O-NZ 3.28Å; D162-K164 PolarHBondContact O-N 2.94Å; D162-K164 WeakPolarHBondContact OD1-CA 3.3Å; D162-K164 VanDerWaalsContact OD1-CB 3.27Å; D162-K164 WeakPolarHBondContact OD1-CB 2.94Å; D162-K164 PolarHBondContact OD1-N 3.23Å; K164-V166 PolarHBondContact O-N 3.07Å; K164-V166 VanDerWaalsContact O-N 3.08Å
165	L	94	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-85.6	48	-177.8	-60.1	175.8	0	0	0	112.7	Y115 D162 I185 V210 G214 V216	Y115-L165 HydrophobicContact CD2-CD2 3.68Å; Y115-L165 HydrophobicContact CD2-CG 4.18Å; Y115-L165 HydrophobicContact CE2-CD1 4.15Å; Y115-L165 HydrophobicContact CE2-CD2 3.72Å; Y115-L165 HydrophobicContact CE2-CG 3.71Å; Y115-L165 HydrophobicContact CG-CD2 4.49Å; D162-L165 HydrophobicContact CB-CB 4.16Å; D162-L165 HydrophobicContact CB-CD1 3.98Å; D162-L165 HydrophobicContact CB-CG 4.12Å; D162-L165 PolarHBondContact O-N 2.92Å; D162-L165 PolarHBondContact OD1-N 2.9Å; L165-I185 HydrophobicContact CD1-CB 4.37Å; L165-I185 HydrophobicContact CD1-CG2 3.78Å; L165-V210 HydrophobicContact CB-CG1 3.94Å; L165-V210 HydrophobicContact CD1-CG1 4.27Å; L165-V210 HydrophobicContact CD1-CG2 4.37Å; L165-G214 WeakPolarHBondContact O-CA 3.35Å; L165-V216 HydrophobicContact CD1-CG2 4.22Å
166	V	94.4	Very high	92.5	Very high	77 Å²	77	47.7 Å²	47.7	47%	0.467	27%	0.274	S	S	.	.			trans	-115.4	130.1	-175.7	-179.3	0	0	0	0	109.7	K164	K164-V166 PolarHBondContact O-N 3.07Å; K164-V166 VanDerWaalsContact O-N 3.08Å
167	W	93.9	Very high	92.5	Very high	17 Å²	17	49.3 Å²	49.3	6%	0.064	28%	0.281	C	S	.	.			trans	-138.4	164	176.4	69.5	97.4	0	0	0	112	L107 L111 P169 Y172 I175 L178 V210 Y211 Y212	L107-W167 HydrophobicContact CD1-CB 3.84Å; L107-W167 HydrophobicContact CD1-CD2 3.91Å; L107-W167 HydrophobicContact CD1-CE3 4.49Å; L107-W167 HydrophobicContact CD1-CG 3.6Å; L107-W167 HydrophobicContact CD2-CD2 4.15Å; L107-W167 HydrophobicContact CD2-CG 4.36Å; L107-W167 HydrophobicContact CD2-CZ2 4.07Å; L111-W167 HydrophobicContact CD1-CD2 4.5Å; L111-W167 HydrophobicContact CD1-CE3 3.81Å; L111-W167 HydrophobicContact CD1-CZ3 4.02Å; L111-W167 HydrophobicContact CD2-CE3 4.29Å; W167-P169 WeakPolarHBondContact O-CD 3.38Å; W167-Y172 HydrophobicContact CB-CD2 4.37Å; W167-Y172 HydrophobicContact CB-CE2 4.06Å; W167-Y172 HydrophobicContact CG-CD2 4.49Å; W167-I175 HydrophobicContact CZ2-CG2 4.46Å; W167-I175 PolarHBondContact NE1-O 3.34Å; W167-L178 HydrophobicContact CH2-CB 3.98Å; W167-L178 HydrophobicContact CZ2-CB 4.29Å; W167-V210 HydrophobicContact CH2-CB 4.49Å; W167-V210 HydrophobicContact CH2-CG1 4.18Å; W167-V210 HydrophobicContact CZ3-CG1 3.82Å; W167-Y211 VanDerWaalsContact CH2-C 3.5Å; W167-Y212 PolarHBondContact N-O 3.46Å
168	N	94.6	Very high	92.5	Very high	91 Å²	91	48.1 Å²	48.1	49%	0.487	28%	0.276	S	S	.	.			trans	-94.3	116.2	170	-179.7	1.3	0	0	0	109.4	T170 K171	N168-T170 PolarHBondContact ND2-OG1 2.96Å; N168-T170 PolarHBondContact O-N 2.89Å; N168-T170 VanDerWaalsContact O-N 3.08Å; N168-T170 PolarHBondContact OD1-N 3.42Å; N168-T170 PolarHBondContact OD1-OG1 2.96Å; N168-K171 PolarHBondContact O-N 3.48Å
169	P	93.1	Very high	92.5	Very high	18 Å²	18	52.4 Å²	52.4	12%	0.117	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.8	177.2	-29.4	37	0	0	0	114.1	W167 K171 Y172 G174 I175 K176 Y212	W167-P169 WeakPolarHBondContact O-CD 3.38Å; P169-K171 PolarHBondContact O-N 3.13Å; P169-Y172 PolarHBondContact O-N 3.47Å; P169-G174 WeakPolarHBondContact O-CA 3.45Å; P169-G174 PolarHBondContact O-N 3.15Å; P169-I175 WeakPolarHBondContact CB-O 3.25Å; P169-K176 HydrophobicContact CB-CG 4.43Å; P169-K176 HydrophobicContact CG-CG 4.35Å; P169-Y212 HydrophobicContact CG-CD1 4.29Å; P169-Y212 HydrophobicContact CG-CD2 3.65Å; P169-Y212 HydrophobicContact CG-CE2 4.41Å; P169-Y212 HydrophobicContact CG-CG 3.59Å
170	T	91.3	Very high	92.4	Very high	120 Å²	120	51.1 Å²	51.1	74%	0.736	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.9	-179.3	75.7	0	0	0	0	114.1	N168	N168-T170 PolarHBondContact ND2-OG1 2.96Å; N168-T170 PolarHBondContact O-N 2.89Å; N168-T170 VanDerWaalsContact O-N 3.08Å; N168-T170 PolarHBondContact OD1-N 3.42Å; N168-T170 PolarHBondContact OD1-OG1 2.96Å
171	K	90.3	Very high	92.3	Very high	119 Å²	119	52.9 Å²	52.9	52%	0.517	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-33.3	172.4	-179.9	-175.7	162.6	-156.4	0	111.8	D110 N168 P169	D110-K171 IonicContact OD2-NZ 2.7Å; D110-K171 PolarHBondContact OD2-NZ 3.01Å; N168-K171 PolarHBondContact O-N 3.48Å; P169-K171 PolarHBondContact O-N 3.13Å
172	Y	89.4	Confident	92.1	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.071	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	74	-169.2	-55.1	-90.4	0	0	0	111	E103 L107 D110 W167 P169 G174 I175	E103-Y172 WeakPolarHBondContact OE2-CA 3.4Å; L107-Y172 HydrophobicContact CB-CD1 3.7Å; L107-Y172 HydrophobicContact CB-CE1 4.07Å; L107-Y172 HydrophobicContact CB-CG 4.04Å; L107-Y172 HydrophobicContact CD1-CD1 4.06Å; L107-Y172 HydrophobicContact CD1-CD2 3.72Å; L107-Y172 HydrophobicContact CD1-CE1 4.02Å; L107-Y172 HydrophobicContact CD1-CE2 3.69Å; L107-Y172 HydrophobicContact CD1-CG 3.89Å; L107-Y172 HydrophobicContact CG-CD1 4.43Å; L107-Y172 HydrophobicContact CG-CG 4.39Å; D110-Y172 HydrophobicContact CB-CE1 4.35Å; D110-Y172 WeakPolarHBondContact CB-OH 3.45Å; D110-Y172 WeakPolarHBondContact OD2-CE1 3.4Å; D110-Y172 PolarHBondContact OD2-OH 3.48Å; W167-Y172 HydrophobicContact CB-CD2 4.37Å; W167-Y172 HydrophobicContact CB-CE2 4.06Å; W167-Y172 HydrophobicContact CG-CD2 4.49Å; P169-Y172 PolarHBondContact O-N 3.47Å; Y172-G174 PolarHBondContact O-N 2.87Å; Y172-I175 WeakPolarHBondContact O-CB 3.44Å; Y172-I175 VanDerWaalsContact O-CG1 3.26Å; Y172-I175 WeakPolarHBondContact O-CG1 3.35Å; Y172-I175 PolarHBondContact O-N 3.44Å
173	G	84.2	Confident	91.8	Very high	68 Å²	68	53.2 Å²	53.2	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	5.2	173.8	0	0	0	0	0	118.3
174	G	89.9	Confident	91.8	Very high	44 Å²	44	57 Å²	57	45%	0.454	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	10.5	-170.4	0	0	0	0	0	115.2	P169 Y172 K176	P169-G174 WeakPolarHBondContact O-CA 3.45Å; P169-G174 PolarHBondContact O-N 3.15Å; Y172-G174 PolarHBondContact O-N 2.87Å; G174-K176 PolarHBondContact O-N 3.05Å
175	I	89.8	Confident	91.9	Very high	30 Å²	30	53.5 Å²	53.5	15%	0.154	30%	0.298	C	S	.	.			trans	-62.9	120.2	-177.7	-62.1	169.9	0	0	0	110.6	E103 E104 L107 W167 P169 Y172 K177	E103-I175 HydrophobicContact CB-CD1 4.37Å; E104-I175 HydrophobicContact CB-CD1 3.76Å; E104-I175 HydrophobicContact CG-CD1 4.23Å; L107-I175 HydrophobicContact CD2-CB 4.2Å; L107-I175 HydrophobicContact CD2-CD1 4.37Å; L107-I175 HydrophobicContact CD2-CG2 3.78Å; W167-I175 HydrophobicContact CZ2-CG2 4.46Å; W167-I175 PolarHBondContact NE1-O 3.34Å; P169-I175 WeakPolarHBondContact CB-O 3.25Å; Y172-I175 WeakPolarHBondContact O-CB 3.44Å; Y172-I175 VanDerWaalsContact O-CG1 3.26Å; Y172-I175 WeakPolarHBondContact O-CG1 3.35Å; Y172-I175 PolarHBondContact O-N 3.44Å; I175-K177 WeakPolarHBondContact CG2-O 3.37Å
176	K	92.7	Very high	92	Very high	144 Å²	144	53.9 Å²	53.9	63%	0.626	30%	0.299	S	S	*	.			trans	-105.6	-22.2	-179.2	-67	174.5	-174.5	170.1	0	114.4	P169 G174 Y212	P169-K176 HydrophobicContact CB-CG 4.43Å; P169-K176 HydrophobicContact CG-CG 4.35Å; G174-K176 PolarHBondContact O-N 3.05Å; K176-Y212 HydrophobicContact CB-CD1 4.2Å; K176-Y212 WeakPolarHBondContact O-CD1 3.38Å; K176-Y212 PolarHBondContact O-N 3.02Å
177	K	92.8	Very high	91.9	Very high	35 Å²	35	52.5 Å²	52.5	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.3	179.7	78.8	-173.9	-161.9	-171.2	0	108.8	I175 L209 V210 Y211 D616 S619 H620	I175-K177 WeakPolarHBondContact CG2-O 3.37Å; K177-L209 HydrophobicContact CB-CD1 3.89Å; K177-L209 HydrophobicContact CD-CD1 4.02Å; K177-L209 HydrophobicContact CD-CD2 4.49Å; K177-L209 HydrophobicContact CG-CD1 3.96Å; K177-V210 CarbonylContact C-O 3.58Å; K177-V210 VanDerWaalsContact CA-O 3.25Å; K177-V210 WeakPolarHBondContact CA-O 3.07Å; K177-Y211 HydrophobicContact CB-CD1 4.08Å; K177-Y211 HydrophobicContact CB-CE1 4.25Å; K177-D616 PolarHBondContact NZ-O 3.45Å; K177-D616 IonicContact NZ-OD1 2.61Å; K177-D616 PolarHBondContact NZ-OD1 3.4Å; K177-S619 PolarHBondContact NZ-OG 3.17Å; K177-S619 VanDerWaalsContact NZ-OG 3.13Å; K177-H620 WeakPolarHBondContact CE-NE2 3.35Å; K177-H620 PolarHBondContact NZ-NE2 3.02Å
178	L	92.7	Very high	91.9	Very high	3 Å²	3	52 Å²	52	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.1	-177.4	179.9	64.6	0	0	0	108.8	E104 L107 L111 W167 I180 V210	E104-L178 HydrophobicContact CG-CD1 3.63Å; L107-L178 HydrophobicContact CD2-CD2 4.1Å; L107-L178 HydrophobicContact CG-CD2 4.1Å; L111-L178 HydrophobicContact CD1-CD2 3.92Å; W167-L178 HydrophobicContact CH2-CB 3.98Å; W167-L178 HydrophobicContact CZ2-CB 4.29Å; L178-I180 HydrophobicContact CD2-CD1 3.96Å; L178-I180 HydrophobicContact CD2-CG1 3.95Å; L178-I180 HydrophobicContact CG-CD1 4.48Å; L178-I180 HydrophobicContact CG-CG1 3.97Å; L178-V210 PolarHBondContact N-O 3.32Å; L178-V210 PolarHBondContact O-N 3.1Å
179	H	92.1	Very high	91.7	Very high	90 Å²	90	49.5 Å²	49.5	42%	0.417	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.3	171.3	-74.4	-93.5	0	0	0	109.3	D207	H179-D207 HydrophobicContact CB-CB 4.3Å
180	I	93.1	Very high	91.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	176.1	-51.6	-173.7	0	0	0	108.8	F108 L112 L178 A182 F184 I185 A208 V210	F108-I180 HydrophobicContact CD2-CG1 4.42Å; F108-I180 HydrophobicContact CE2-CB 4.5Å; F108-I180 HydrophobicContact CE2-CG1 4.41Å; F108-I180 HydrophobicContact CE2-CG2 3.99Å; L112-I180 HydrophobicContact CD1-CG2 4.27Å; L178-I180 HydrophobicContact CD2-CD1 3.96Å; L178-I180 HydrophobicContact CD2-CG1 3.95Å; L178-I180 HydrophobicContact CG-CD1 4.48Å; L178-I180 HydrophobicContact CG-CG1 3.97Å; I180-A182 PolarHBondContact O-N 3.45Å; I180-F184 HydrophobicContact CG2-CB 4.28Å; I180-I185 HydrophobicContact CB-CG2 4.34Å; I180-I185 HydrophobicContact CD1-CG2 4.45Å; I180-I185 HydrophobicContact CG2-CG2 3.74Å; I180-A208 PolarHBondContact N-O 3.22Å; I180-A208 PolarHBondContact O-N 2.92Å; I180-V210 HydrophobicContact CB-CG2 4.31Å; I180-V210 HydrophobicContact CD1-CB 4.43Å; I180-V210 HydrophobicContact CD1-CG2 3.87Å; I180-V210 HydrophobicContact CG1-CG2 3.98Å
181	P	93.5	Very high	91.7	Very high	41 Å²	41	44.5 Å²	44.5	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	130	175.1	-22.8	31.2	0	0	0	111.2	D183 F184 D207	P181-D183 PolarHBondContact O-N 2.93Å; P181-F184 HydrophobicContact CB-CD2 3.77Å; P181-F184 HydrophobicContact CB-CE2 3.98Å; P181-F184 HydrophobicContact CG-CD2 3.96Å; P181-F184 HydrophobicContact CG-CE2 3.99Å; P181-F184 PolarHBondContact O-N 3.3Å; P181-D207 VanDerWaalsContact CA-OD1 3.28Å; P181-D207 WeakPolarHBondContact CA-OD1 3.27Å; P181-D207 WeakPolarHBondContact CG-OD1 3.43Å
182	A	91.5	Very high	91.9	Very high	4 Å²	4	39 Å²	39	3%	0.033	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	-171	0	0	0	0	0	114.1	I180 F184 I185 T187 T206 W218	I180-A182 PolarHBondContact O-N 3.45Å; A182-F184 PolarHBondContact O-N 3.47Å; A182-I185 PolarHBondContact O-N 3.32Å; A182-T187 HydrophobicContact CB-CG2 4.12Å; A182-T206 VanDerWaalsContact CB-O 3.31Å; A182-T206 WeakPolarHBondContact CB-O 3.38Å; A182-W218 HydrophobicContact CB-CD2 4.38Å; A182-W218 HydrophobicContact CB-CZ2 3.65Å
183	D	90.8	Very high	92	Very high	86 Å²	86	41.3 Å²	41.3	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.5	176.4	-64.6	-47.9	0	0	0	114.3	K117 P181 N205	K117-D183 VanDerWaalsContact CD-O 3.24Å; K117-D183 WeakPolarHBondContact CD-O 3.39Å; K117-D183 WeakPolarHBondContact CE-O 3.21Å; K117-D183 PolarHBondContact NZ-O 3.49Å; P181-D183 PolarHBondContact O-N 2.93Å; D183-N205 PolarHBondContact OD1-ND2 3.15Å
184	F	92.4	Very high	92.5	Very high	115 Å²	115	39 Å²	39	50%	0.504	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-23.4	178	-65	-64.5	0	0	0	113.8	F108 L112 I180 P181 A182	F108-F184 HydrophobicContact CZ-CD2 4.47Å; L112-F184 HydrophobicContact CD1-CB 4.17Å; I180-F184 HydrophobicContact CG2-CB 4.28Å; P181-F184 HydrophobicContact CB-CD2 3.77Å; P181-F184 HydrophobicContact CB-CE2 3.98Å; P181-F184 HydrophobicContact CG-CD2 3.96Å; P181-F184 HydrophobicContact CG-CE2 3.99Å; P181-F184 PolarHBondContact O-N 3.3Å; A182-F184 PolarHBondContact O-N 3.47Å
185	I	94.2	Very high	92.7	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.187	C	C	.	.	S	Bend	trans	-99.8	167.5	-178.5	61.9	171.7	0	0	0	112	L112 Y115 W160 L165 I180 A182 T187 A208 V216	L112-I185 HydrophobicContact CD2-CG2 4.49Å; Y115-I185 HydrophobicContact CE1-CB 4.28Å; W160-I185 HydrophobicContact CZ2-CD1 4.09Å; L165-I185 HydrophobicContact CD1-CB 4.37Å; L165-I185 HydrophobicContact CD1-CG2 3.78Å; I180-I185 HydrophobicContact CB-CG2 4.34Å; I180-I185 HydrophobicContact CD1-CG2 4.45Å; I180-I185 HydrophobicContact CG2-CG2 3.74Å; A182-I185 PolarHBondContact O-N 3.32Å; I185-T187 HydrophobicContact CG1-CG2 4.21Å; I185-A208 HydrophobicContact CD1-CB 3.64Å; I185-V216 HydrophobicContact CD1-CG1 3.97Å
186	W	94.9	Very high	92.7	Very high	8 Å²	8	37.9 Å²	37.9	3%	0.03	19%	0.19	C	C	.	.			trans	-69.8	128.8	165.9	-179.6	94	0	0	0	108.4	Y115 K117 R120 P121 L129 I131 W160 P188 Y251	Y115-W186 VanDerWaalsContact OH-CB 3.24Å; Y115-W186 WeakPolarHBondContact OH-CB 3.4Å; Y115-W186 PolarHBondContact OH-N 2.91Å; K117-W186 VanDerWaalsContact O-CD1 3.26Å; R120-W186 HydrophobicContact CG-CZ2 4.31Å; P121-W186 VanDerWaalsContact CD-CD2 3.47Å; P121-W186 HydrophobicContact CG-CD2 4.21Å; P121-W186 HydrophobicContact CG-CE3 3.93Å; L129-W186 HydrophobicContact CD2-CE3 4.26Å; L129-W186 HydrophobicContact CD2-CH2 3.23Å; L129-W186 HydrophobicContact CD2-CZ2 4.06Å; L129-W186 HydrophobicContact CD2-CZ3 3.36Å; I131-W186 HydrophobicContact CD1-CH2 4.4Å; W160-W186 VanDerWaalsContact CZ2-O 3.26Å; W160-W186 WeakPolarHBondContact CZ2-O 3.49Å; W160-W186 AromaticContact NE1-CE3 3.92Å; W186-P188 HydrophobicContact CH2-CB 3.65Å; W186-P188 HydrophobicContact CZ3-CB 3.88Å; W186-P188 HydrophobicContact CZ3-CG 4.37Å; W186-Y251 HydrophobicContact CZ2-CE2 4.03Å
187	T	93.2	Very high	92.2	Very high	49 Å²	49	34.8 Å²	34.8	30%	0.301	18%	0.181	S	C	.	.			trans	-121.3	147.8	173.7	48.1	0	0	0	0	110.2	W160 A182 I185 W218	W160-T187 HydrophobicContact CH2-CG2 4.27Å; W160-T187 HydrophobicContact CZ2-CG2 4.46Å; A182-T187 HydrophobicContact CB-CG2 4.12Å; I185-T187 HydrophobicContact CG1-CG2 4.21Å; T187-W218 HydrophobicContact CG2-CD2 4.49Å; T187-W218 HydrophobicContact CG2-CE3 4.06Å; T187-W218 HydrophobicContact CG2-CH2 4.17Å; T187-W218 HydrophobicContact CG2-CZ3 3.89Å
188	P	92.9	Very high	91.6	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.045	21%	0.207	C	C	.	.			trans	-76.9	138.8	179.1	32.4	-35.8	0	0	0	111.5	I131 M158 W160 W186 I190	I131-P188 HydrophobicContact CD1-CB 3.46Å; I131-P188 VanDerWaalsContact CD1-CB 3.46Å; I131-P188 HydrophobicContact CD1-CG 4.13Å; M158-P188 HydrophobicContact SD-CG 3.81Å; W160-P188 HydrophobicContact CE3-CG 4.35Å; W160-P188 HydrophobicContact CZ3-CG 4.25Å; W186-P188 HydrophobicContact CH2-CB 3.65Å; W186-P188 HydrophobicContact CZ3-CB 3.88Å; W186-P188 HydrophobicContact CZ3-CG 4.37Å; P188-I190 HydrophobicContact CB-CD1 4.24Å; P188-I190 HydrophobicContact CB-CG1 4.18Å; P188-I190 HydrophobicContact CG-CD1 4.22Å; P188-I190 PolarHBondContact O-N 3.34Å
189	D	90	Very high	91.1	Very high	37 Å²	37	43.3 Å²	43.3	20%	0.198	24%	0.239	C	C	.	.			trans	-84.2	53.9	-178.3	63.9	-39.5	0	0	0	112.5	L191 W249 T250 Y251	D189-L191 PolarHBondContact O-N 3.1Å; D189-W249 PolarHBondContact O-N 3.09Å; D189-W249 VanDerWaalsContact O-N 3.13Å; D189-W249 PolarHBondContact OD2-N 3.49Å; D189-T250 WeakPolarHBondContact OD2-CA 3.41Å; D189-T250 WeakPolarHBondContact OD2-CB 3.39Å; D189-T250 PolarHBondContact OD2-N 2.83Å; D189-T250 PolarHBondContact OD2-OG1 3.34Å; D189-Y251 WeakPolarHBondContact OD1-CD2 3.4Å
190	I	92.4	Very high	90.3	Very high	8 Å²	8	41 Å²	41	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.6	176.8	-62	172.9	0	0	0	109	I131 F133 M158 P188 F246 G247 M258	I131-I190 HydrophobicContact CD1-CD1 4.5Å; I131-I190 HydrophobicContact CG2-CD1 4.24Å; F133-I190 HydrophobicContact CD2-CD1 3.96Å; F133-I190 HydrophobicContact CD2-CG2 4.47Å; F133-I190 HydrophobicContact CE2-CD1 4.37Å; F133-I190 HydrophobicContact CE2-CG2 3.92Å; F133-I190 HydrophobicContact CZ-CG2 4.07Å; M158-I190 HydrophobicContact CG-CD1 4.14Å; M158-I190 HydrophobicContact SD-CD1 4.05Å; P188-I190 HydrophobicContact CB-CD1 4.24Å; P188-I190 HydrophobicContact CB-CG1 4.18Å; P188-I190 HydrophobicContact CG-CD1 4.22Å; P188-I190 PolarHBondContact O-N 3.34Å; I190-F246 HydrophobicContact CG2-CB 4.02Å; I190-F246 HydrophobicContact CG2-CD1 4.27Å; I190-G247 WeakPolarHBondContact CA-O 3.41Å; I190-M258 HydrophobicContact CD1-SD 3.59Å; I190-M258 VanDerWaalsContact CD1-SD 3.59Å; I190-M258 HydrophobicContact CG1-SD 3.77Å; I190-M258 HydrophobicContact CG2-SD 4.41Å
191	L	92.8	Very high	89.4	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.8	-176.4	-60.3	-173.9	0	0	0	111.7	D189 Y193 P200 Q201 F246 G247 W249	D189-L191 PolarHBondContact O-N 3.1Å; L191-Y193 PolarHBondContact O-N 2.91Å; L191-P200 HydrophobicContact CB-CB 4.3Å; L191-P200 HydrophobicContact CD1-CG 4.26Å; L191-Q201 HydrophobicContact CD2-CB 4.46Å; L191-Q201 HydrophobicContact CD2-CG 3.72Å; L191-F246 WeakPolarHBondContact O-CA 3.43Å; L191-G247 PolarHBondContact N-O 3.4Å; L191-G247 PolarHBondContact O-N 2.86Å; L191-W249 HydrophobicContact CD1-CB 3.82Å; L191-W249 HydrophobicContact CD1-CD2 4.21Å; L191-W249 HydrophobicContact CD1-CE3 4.4Å; L191-W249 HydrophobicContact CD1-CG 3.97Å; L191-W249 HydrophobicContact CG-CB 4.3Å
192	L	94.2	Very high	88.7	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	107.9	169	179	67.1	0	0	0	109.9	N194 C195 Y224 M244 F246	L192-N194 WeakPolarHBondContact CD1-OD1 3.29Å; L192-N194 PolarHBondContact O-N 2.98Å; L192-C195 HydrophobicContact CB-CB 4.26Å; L192-C195 HydrophobicContact CD2-CB 4.03Å; L192-C195 HydrophobicContact CG-CB 4.13Å; L192-C195 WeakPolarHBondContact O-CB 3.47Å; L192-C195 PolarHBondContact O-N 3.22Å; L192-Y224 HydrophobicContact CB-CD1 4.44Å; L192-Y224 HydrophobicContact CD2-CD1 4.17Å; L192-M244 HydrophobicContact CD1-CB 4.04Å; L192-M244 HydrophobicContact CD1-CE 4.32Å; L192-M244 HydrophobicContact CD2-CE 4.28Å; L192-F246 HydrophobicContact CB-CD1 4.27Å; L192-F246 HydrophobicContact CB-CE1 3.92Å; L192-F246 HydrophobicContact CB-CZ 4.38Å; L192-F246 HydrophobicContact CD1-CD2 4.31Å; L192-F246 HydrophobicContact CD1-CE1 4.26Å; L192-F246 HydrophobicContact CD1-CE2 4Å; L192-F246 HydrophobicContact CD1-CZ 3.98Å
193	Y	92.6	Very high	87.8	Confident	67 Å²	67	51.3 Å²	51.3	26%	0.263	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.4	-176.3	-74.8	11.7	0	0	0	112.6	L191 C195 K245 G247 G248 W249	L191-Y193 PolarHBondContact O-N 2.91Å; Y193-C195 VanDerWaalsContact C-N 3.3Å; Y193-C195 PolarHBondContact O-N 3.47Å; Y193-K245 HydrophobicContact CD2-CD 3.96Å; Y193-K245 HydrophobicContact CD2-CG 4.13Å; Y193-K245 HydrophobicContact CG-CG 4.4Å; Y193-K245 PolarHBondContact N-O 2.85Å; Y193-G247 WeakPolarHBondContact CE1-O 3.22Å; Y193-G248 PolarHBondContact OH-O 3.5Å; Y193-G248 VanDerWaalsContact OH-O 3.08Å; Y193-W249 HydrophobicContact CE1-CE3 4.18Å
194	N	94.3	Very high	87.2	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.112	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	37	177.1	67.9	-50.1	0	0	0	112.9	L192 S226 F227 H243 K245	L192-N194 WeakPolarHBondContact CD1-OD1 3.29Å; L192-N194 PolarHBondContact O-N 2.98Å; N194-S226 CarbonylContact O-C 3.5Å; N194-S226 WeakPolarHBondContact O-CA 3.37Å; N194-F227 PolarHBondContact ND2-O 3.32Å; N194-F227 VanDerWaalsContact ND2-O 3.07Å; N194-F227 PolarHBondContact O-N 2.89Å; N194-H243 PolarHBondContact ND2-O 2.77Å; N194-K245 PolarHBondContact OD1-N 3.13Å
195	C	94.2	Very high	86.6	Confident	21 Å²	21	50 Å²	50	14%	0.142	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-68.8	130.6	177.8	-176.9	0	0	0	0	112	L192 Y193 H199 P200 K225 F227	L192-C195 HydrophobicContact CB-CB 4.26Å; L192-C195 HydrophobicContact CD2-CB 4.03Å; L192-C195 HydrophobicContact CG-CB 4.13Å; L192-C195 WeakPolarHBondContact O-CB 3.47Å; L192-C195 PolarHBondContact O-N 3.22Å; Y193-C195 VanDerWaalsContact C-N 3.3Å; Y193-C195 PolarHBondContact O-N 3.47Å; C195-H199 PolarHBondContact SG-O 3.17Å; C195-H199 VanDerWaalsContact SG-O 3.34Å; C195-P200 HydrophobicContact CB-CB 3.98Å; C195-K225 WeakPolarHBondContact CA-O 3.3Å; C195-F227 WeakPolarHBondContact O-CE2 3.32Å
196	A	90.5	Very high	86.4	Confident	28 Å²	28	51.9 Å²	51.9	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-92.6	-18.1	-179.2	0	0	0	0	0	114.6	V149 K225 F227	V149-A196 HydrophobicContact CB-CB 4.42Å; V149-A196 HydrophobicContact CG1-CB 3.89Å; V149-A196 HydrophobicContact CG2-CB 3.63Å; A196-K225 HydrophobicContact CB-CB 4.3Å; A196-K225 PolarHBondContact N-O 2.64Å; A196-F227 HydrophobicContact CB-CD1 3.79Å; A196-F227 HydrophobicContact CB-CD2 4.09Å; A196-F227 HydrophobicContact CB-CE1 3.68Å; A196-F227 HydrophobicContact CB-CE2 4.01Å; A196-F227 HydrophobicContact CB-CG 4Å; A196-F227 HydrophobicContact CB-CZ 3.8Å
197	D	82.1	Confident	86.3	Confident	80 Å²	80	55.5 Å²	55.5	43%	0.428	32%	0.316	S	S	.	.	S	Bend	trans	-91.7	2	-171.5	-138.8	27.1	0	0	0	114.2	H199 K225	D197-H199 PolarHBondContact O-N 2.95Å; D197-H199 VanDerWaalsContact O-N 3.1Å; D197-H199 PolarHBondContact O-ND1 3.24Å; D197-K225 HydrophobicContact CB-CB 4.26Å; D197-K225 HydrophobicContact CB-CD 4Å; D197-K225 IonicContact OD1-NZ 3.25Å; D197-K225 PolarHBondContact OD1-NZ 2.9Å; D197-K225 IonicContact OD2-NZ 2.68Å; D197-K225 PolarHBondContact OD2-NZ 3.33Å
198	G	78.3	Confident	86.3	Confident	68 Å²	68	53.2 Å²	53.2	70%	0.701	30%	0.301	S	S	*	.	S	Bend	trans	70.2	-5.7	-171.4	0	0	0	0	0	115.1	P200	G198-P200 VanDerWaalsContact O-CD 3.32Å; G198-P200 WeakPolarHBondContact O-CD 3.47Å
199	H	82.1	Confident	86.4	Confident	148 Å²	148	53.4 Å²	53.4	69%	0.685	30%	0.302	S	S	*	.			trans	-115.6	87.4	-179	-60.2	81.5	0	0	0	109.1	C195 D197 Q201	C195-H199 PolarHBondContact SG-O 3.17Å; C195-H199 VanDerWaalsContact SG-O 3.34Å; D197-H199 PolarHBondContact O-N 2.95Å; D197-H199 VanDerWaalsContact O-N 3.1Å; D197-H199 PolarHBondContact O-ND1 3.24Å; H199-Q201 VanDerWaalsContact C-N 3.29Å; H199-Q201 PolarHBondContact O-N 3.27Å
200	P	76.6	Confident	86.7	Confident	41 Å²	41	51.6 Å²	51.6	27%	0.266	29%	0.292	S	S	.	.			trans	-82.9	-4	-176.3	35	-38.2	0	0	0	113.9	L191 C195 G198	L191-P200 HydrophobicContact CB-CB 4.3Å; L191-P200 HydrophobicContact CD1-CG 4.26Å; C195-P200 HydrophobicContact CB-CB 3.98Å; G198-P200 VanDerWaalsContact O-CD 3.32Å; G198-P200 WeakPolarHBondContact O-CD 3.47Å
201	Q	74.2	Confident	86.8	Confident	144 Å²	144	54.4 Å²	54.4	67%	0.673	30%	0.303	S	S	*	.	S	Bend	trans	-86.8	157.6	-178.2	-70.5	176.4	-12.5	0	0	112.1	L191 H199 S203	L191-Q201 HydrophobicContact CD2-CB 4.46Å; L191-Q201 HydrophobicContact CD2-CG 3.72Å; H199-Q201 VanDerWaalsContact C-N 3.29Å; H199-Q201 PolarHBondContact O-N 3.27Å; Q201-S203 PolarHBondContact O-N 3.48Å
202	I	77.6	Confident	86.9	Confident	30 Å²	30	58.2 Å²	58.2	15%	0.154	32%	0.316	C	S	.	.			trans	-59.2	131.1	172.3	-71.8	151.9	0	0	0	110	M158 I204 W218 P220 Y224	M158-I202 HydrophobicContact CE-CD1 4.01Å; I202-I204 WeakPolarHBondContact CG2-O 3.28Å; I202-W218 HydrophobicContact CD1-CH2 3.52Å; I202-W218 HydrophobicContact CD1-CZ2 4.31Å; I202-W218 HydrophobicContact CD1-CZ3 3.73Å; I202-P220 HydrophobicContact CD1-CB 4.36Å; I202-P220 HydrophobicContact CD1-CG 3.76Å; I202-P220 HydrophobicContact CG1-CB 4.48Å; I202-P220 HydrophobicContact CG1-CG 4.25Å; I202-P220 HydrophobicContact CG2-CB 3.65Å; I202-P220 HydrophobicContact CG2-CG 4.3Å; I202-Y224 WeakPolarHBondContact CG1-OH 3.49Å
203	S	72.8	Confident	86.9	Confident	89 Å²	89	62.1 Å²	62.1	62%	0.622	34%	0.337	S	S	*	.	S	Bend	trans	-91.6	-13.2	-175.6	57.5	0	0	0	0	114.8	Q201	Q201-S203 PolarHBondContact O-N 3.48Å
204	I	78.7	Confident	87	Confident	91 Å²	91	59 Å²	59	47%	0.467	33%	0.325	S	S	.	.	S	Bend	trans	-135.5	103.9	-179.6	-57.9	174.9	0	0	0	108.2	I202 T206 P221	I202-I204 WeakPolarHBondContact CG2-O 3.28Å; I204-T206 HydrophobicContact CG2-CG2 4.22Å; I204-T206 PolarHBondContact O-N 3.44Å; I204-P221 HydrophobicContact CB-CG 4.27Å; I204-P221 HydrophobicContact CD1-CG 4.33Å; I204-P221 HydrophobicContact CG2-CG 4.2Å
205	N	80.5	Confident	87	Confident	82 Å²	82	61 Å²	61	44%	0.439	33%	0.333	S	S	.	.			trans	-78.1	105.3	172.7	-69.3	-1.1	0	0	0	108.7	D183	D183-N205 PolarHBondContact OD1-ND2 3.15Å
206	T	89.6	Confident	87.1	Confident	43 Å²	43	60 Å²	60	26%	0.264	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-88.4	164	168.8	59.7	0	0	0	0	110.6	A182 I204 W218 P221	A182-T206 VanDerWaalsContact CB-O 3.31Å; A182-T206 WeakPolarHBondContact CB-O 3.38Å; I204-T206 HydrophobicContact CG2-CG2 4.22Å; I204-T206 PolarHBondContact O-N 3.44Å; T206-W218 PolarHBondContact O-NE1 2.91Å; T206-W218 PolarHBondContact OG1-NE1 3.44Å; T206-P221 VanDerWaalsContact CG2-CD 3.47Å; T206-P221 HydrophobicContact CG2-CG 4.18Å
207	D	92.4	Very high	87.3	Confident	84 Å²	84	60.4 Å²	60.4	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	146.1	166.9	-50.4	-46.5	0	0	0	111.3	H179 P181	H179-D207 HydrophobicContact CB-CB 4.3Å; P181-D207 VanDerWaalsContact CA-OD1 3.28Å; P181-D207 WeakPolarHBondContact CA-OD1 3.27Å; P181-D207 WeakPolarHBondContact CG-OD1 3.43Å
208	A	93.7	Very high	87.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.6	166.3	0	0	0	0	0	109.2	I180 I185 V216 W218	I180-A208 PolarHBondContact N-O 3.22Å; I180-A208 PolarHBondContact O-N 2.92Å; I185-A208 HydrophobicContact CD1-CB 3.64Å; A208-V216 HydrophobicContact CB-CG1 3.84Å; A208-W218 HydrophobicContact CB-CB 4.06Å; A208-W218 HydrophobicContact CB-CG 4.16Å
209	L	94.7	Very high	88.4	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.8	172.7	-176.3	62	0	0	0	108.7	K177 Y211 M217	K177-L209 HydrophobicContact CB-CD1 3.89Å; K177-L209 HydrophobicContact CD-CD1 4.02Å; K177-L209 HydrophobicContact CD-CD2 4.49Å; K177-L209 HydrophobicContact CG-CD1 3.96Å; L209-Y211 HydrophobicContact CD2-CE2 3.97Å; L209-Y211 WeakPolarHBondContact CD2-OH 3.17Å; L209-Y211 HydrophobicContact CG-CE2 4.08Å; L209-M217 PolarHBondContact N-O 3.22Å; L209-M217 PolarHBondContact O-N 3.35Å
210	V	95.4	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.3	177.9	-171.9	0	0	0	0	108.8	L165 W167 K177 L178 I180 V216	L165-V210 HydrophobicContact CB-CG1 3.94Å; L165-V210 HydrophobicContact CD1-CG1 4.27Å; L165-V210 HydrophobicContact CD1-CG2 4.37Å; W167-V210 HydrophobicContact CH2-CB 4.49Å; W167-V210 HydrophobicContact CH2-CG1 4.18Å; W167-V210 HydrophobicContact CZ3-CG1 3.82Å; K177-V210 CarbonylContact C-O 3.58Å; K177-V210 VanDerWaalsContact CA-O 3.25Å; K177-V210 WeakPolarHBondContact CA-O 3.07Å; L178-V210 PolarHBondContact N-O 3.32Å; L178-V210 PolarHBondContact O-N 3.1Å; I180-V210 HydrophobicContact CB-CG2 4.31Å; I180-V210 HydrophobicContact CD1-CB 4.43Å; I180-V210 HydrophobicContact CD1-CG2 3.87Å; I180-V210 HydrophobicContact CG1-CG2 3.98Å; V210-V216 HydrophobicContact CG1-CG2 4.34Å; V210-V216 HydrophobicContact CG2-CG1 4.34Å; V210-V216 HydrophobicContact CG2-CG2 4.29Å
211	Y	95.9	Very high	89.7	Confident	67 Å²	67	50.2 Å²	50.2	26%	0.263	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154	174.3	-66.2	-90.9	0	0	0	110.8	W167 K177 L209 D213 G214 K215 M217	W167-Y211 VanDerWaalsContact CH2-C 3.5Å; K177-Y211 HydrophobicContact CB-CD1 4.08Å; K177-Y211 HydrophobicContact CB-CE1 4.25Å; L209-Y211 HydrophobicContact CD2-CE2 3.97Å; L209-Y211 WeakPolarHBondContact CD2-OH 3.17Å; L209-Y211 HydrophobicContact CG-CE2 4.08Å; Y211-D213 VanDerWaalsContact CB-OD1 3.24Å; Y211-D213 WeakPolarHBondContact CB-OD1 3.44Å; Y211-D213 PolarHBondContact O-N 2.74Å; Y211-G214 PolarHBondContact O-N 3.12Å; Y211-K215 HydrophobicContact CD2-CB 4.3Å; Y211-K215 HydrophobicContact CD2-CG 4.48Å; Y211-K215 WeakPolarHBondContact CD2-O 3.29Å; Y211-K215 PolarHBondContact N-O 3.15Å; Y211-M217 HydrophobicContact CE2-CB 4.47Å
212	Y	94.6	Very high	90.4	Very high	105 Å²	105	43.5 Å²	43.5	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.2	-175.8	75.8	-78.8	0	0	0	115.5	W167 P169 K176 G214	W167-Y212 PolarHBondContact N-O 3.46Å; P169-Y212 HydrophobicContact CG-CD1 4.29Å; P169-Y212 HydrophobicContact CG-CD2 3.65Å; P169-Y212 HydrophobicContact CG-CE2 4.41Å; P169-Y212 HydrophobicContact CG-CG 3.59Å; K176-Y212 HydrophobicContact CB-CD1 4.2Å; K176-Y212 WeakPolarHBondContact O-CD1 3.38Å; K176-Y212 PolarHBondContact O-N 3.02Å; Y212-G214 PolarHBondContact O-N 3.14Å
213	D	94.5	Very high	91.1	Very high	85 Å²	85	47 Å²	47	46%	0.455	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.4	175.8	67.3	-14.9	0	0	0	113.5	Y211 K215	Y211-D213 VanDerWaalsContact CB-OD1 3.24Å; Y211-D213 WeakPolarHBondContact CB-OD1 3.44Å; Y211-D213 PolarHBondContact O-N 2.74Å; D213-K215 WeakPolarHBondContact OD1-CB 3.34Å; D213-K215 PolarHBondContact OD1-N 3.42Å
214	G	93.4	Very high	92.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	85.3	2.2	-174.2	0	0	0	0	0	113.8	T161 D162 L165 Y211 Y212 V216	T161-G214 CarbonylContact C-O 3.5Å; T161-G214 WeakPolarHBondContact CA-O 3.1Å; D162-G214 PolarHBondContact N-O 3.46Å; D162-G214 WeakPolarHBondContact O-CA 3.43Å; L165-G214 WeakPolarHBondContact O-CA 3.35Å; Y211-G214 PolarHBondContact O-N 3.12Å; Y212-G214 PolarHBondContact O-N 3.14Å; G214-V216 PolarHBondContact O-N 2.82Å
215	K	95.4	Very high	92.8	Very high	65 Å²	65	42.2 Å²	42.2	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.1	173.8	-173.4	179.1	-179.8	179.2	0	109.8	Y211 D213	Y211-K215 HydrophobicContact CD2-CB 4.3Å; Y211-K215 HydrophobicContact CD2-CG 4.48Å; Y211-K215 WeakPolarHBondContact CD2-O 3.29Å; Y211-K215 PolarHBondContact N-O 3.15Å; D213-K215 WeakPolarHBondContact OD1-CB 3.34Å; D213-K215 PolarHBondContact OD1-N 3.42Å
216	V	95.8	Very high	93.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.4	172.4	-173	0	0	0	0	108.8	Q159 W160 D162 L165 I185 A208 V210 G214	Q159-V216 VanDerWaalsContact CA-O 3.29Å; Q159-V216 WeakPolarHBondContact CA-O 3.43Å; W160-V216 HydrophobicContact CD2-CB 3.98Å; W160-V216 HydrophobicContact CD2-CG1 4.32Å; W160-V216 HydrophobicContact CE3-CB 4.47Å; W160-V216 HydrophobicContact CG-CB 4.4Å; W160-V216 HydrophobicContact CH2-CB 4.42Å; W160-V216 HydrophobicContact CH2-CG1 3.7Å; W160-V216 HydrophobicContact CZ2-CB 3.92Å; W160-V216 HydrophobicContact CZ2-CG1 3.46Å; W160-V216 VanDerWaalsContact CZ2-CG1 3.46Å; W160-V216 HydrophobicContact CZ2-CG2 4.43Å; W160-V216 HydrophobicContact CZ3-CG1 4.22Å; W160-V216 PolarHBondContact N-O 3.34Å; W160-V216 VanDerWaalsContact N-O 3.08Å; W160-V216 PolarHBondContact O-N 3.24Å; D162-V216 HydrophobicContact CB-CG2 3.95Å; L165-V216 HydrophobicContact CD1-CG2 4.22Å; I185-V216 HydrophobicContact CD1-CG1 3.97Å; A208-V216 HydrophobicContact CB-CG1 3.84Å; V210-V216 HydrophobicContact CG1-CG2 4.34Å; V210-V216 HydrophobicContact CG2-CG1 4.34Å; V210-V216 HydrophobicContact CG2-CG2 4.29Å; G214-V216 PolarHBondContact O-N 2.82Å
217	M	94.1	Very high	93.8	Very high	35 Å²	35	41.4 Å²	41.4	17%	0.172	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.9	170.8	179.4	-174.1	-65.3	0	0	109	M158 Q159 L209 Y211 K219	M158-M217 WeakPolarHBondContact O-CA 3.27Å; Q159-M217 HydrophobicContact CG-CE 4.48Å; Q159-M217 HydrophobicContact CG-CG 4.27Å; L209-M217 PolarHBondContact N-O 3.22Å; L209-M217 PolarHBondContact O-N 3.35Å; Y211-M217 HydrophobicContact CE2-CB 4.47Å; M217-K219 HydrophobicContact CG-CG 4.26Å; M217-K219 WeakPolarHBondContact SD-CE 3.49Å
218	W	93.6	Very high	93.9	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.6	178.4	-171.3	40.6	0	0	0	109.6	M158 W160 A182 T187 I202 T206 A208 P220	M158-W218 HydrophobicContact CE-CD2 4.07Å; M158-W218 HydrophobicContact CE-CE3 3.33Å; M158-W218 HydrophobicContact CE-CZ3 3.67Å; M158-W218 PolarHBondContact N-O 3.17Å; M158-W218 PolarHBondContact O-N 2.94Å; M158-W218 HydrophobicContact SD-CE3 3.97Å; M158-W218 HydrophobicContact SD-CZ3 4.2Å; W160-W218 HydrophobicContact CH2-CB 3.83Å; W160-W218 HydrophobicContact CH2-CE3 4.2Å; W160-W218 HydrophobicContact CH2-CG 4.47Å; W160-W218 HydrophobicContact CZ3-CB 3.78Å; W160-W218 HydrophobicContact CZ3-CE3 4.39Å; A182-W218 HydrophobicContact CB-CD2 4.38Å; A182-W218 HydrophobicContact CB-CZ2 3.65Å; T187-W218 HydrophobicContact CG2-CD2 4.49Å; T187-W218 HydrophobicContact CG2-CE3 4.06Å; T187-W218 HydrophobicContact CG2-CH2 4.17Å; T187-W218 HydrophobicContact CG2-CZ3 3.89Å; I202-W218 HydrophobicContact CD1-CH2 3.52Å; I202-W218 HydrophobicContact CD1-CZ2 4.31Å; I202-W218 HydrophobicContact CD1-CZ3 3.73Å; T206-W218 PolarHBondContact O-NE1 2.91Å; T206-W218 PolarHBondContact OG1-NE1 3.44Å; A208-W218 HydrophobicContact CB-CB 4.06Å; A208-W218 HydrophobicContact CB-CG 4.16Å; W218-P220 VanDerWaalsContact C-CD 3.41Å; W218-P220 HydrophobicContact CD2-CG 3.94Å; W218-P220 HydrophobicContact CE3-CG 4.22Å; W218-P220 HydrophobicContact CG-CG 4.46Å; W218-P220 HydrophobicContact CH2-CG 4.35Å; W218-P220 HydrophobicContact CZ2-CB 4.11Å; W218-P220 HydrophobicContact CZ2-CG 4.07Å; W218-P220 HydrophobicContact CZ3-CG 4.41Å; W218-P220 WeakPolarHBondContact O-CD 3.05Å
219	K	91.7	Very high	93.8	Very high	86 Å²	86	45.1 Å²	45.1	37%	0.374	21%	0.209	S	C	.	.			trans	-123.6	62.6	-177.8	-58	-156.1	-169.8	-155.5	0	113.7	L156 E157 M217	L156-K219 CarbonylContact O-C 3.51Å; L156-K219 WeakPolarHBondContact O-CA 3.12Å; E157-K219 HydrophobicContact CB-CD 4.5Å; E157-K219 HydrophobicContact CB-CG 4.47Å; E157-K219 HydrophobicContact CG-CD 4.27Å; E157-K219 HydrophobicContact CG-CG 4.27Å; E157-K219 WeakPolarHBondContact OE1-CE 3.5Å; E157-K219 IonicContact OE1-NZ 2.86Å; E157-K219 PolarHBondContact OE1-NZ 2.85Å; E157-K219 WeakPolarHBondContact OE2-CE 3.46Å; E157-K219 IonicContact OE2-NZ 3.99Å; E157-K219 PolarHBondContact OE2-NZ 3.3Å; M217-K219 HydrophobicContact CG-CG 4.26Å; M217-K219 WeakPolarHBondContact SD-CE 3.49Å
220	P	92.5	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.208	C	C	.	.			trans	-70.6	131.3	-176.4	27.4	-32.6	0	0	0	112.2	L156 M158 I202 W218	L156-P220 HydrophobicContact CB-CG 4.46Å; L156-P220 PolarHBondContact N-O 2.92Å; L156-P220 VanDerWaalsContact N-O 3.15Å; M158-P220 HydrophobicContact CE-CG 3.46Å; M158-P220 VanDerWaalsContact CE-CG 3.46Å; I202-P220 HydrophobicContact CD1-CB 4.36Å; I202-P220 HydrophobicContact CD1-CG 3.76Å; I202-P220 HydrophobicContact CG1-CB 4.48Å; I202-P220 HydrophobicContact CG1-CG 4.25Å; I202-P220 HydrophobicContact CG2-CB 3.65Å; I202-P220 HydrophobicContact CG2-CG 4.3Å; W218-P220 VanDerWaalsContact C-CD 3.41Å; W218-P220 HydrophobicContact CD2-CG 3.94Å; W218-P220 HydrophobicContact CE3-CG 4.22Å; W218-P220 HydrophobicContact CG-CG 4.46Å; W218-P220 HydrophobicContact CH2-CG 4.35Å; W218-P220 HydrophobicContact CZ2-CB 4.11Å; W218-P220 HydrophobicContact CZ2-CG 4.07Å; W218-P220 HydrophobicContact CZ3-CG 4.41Å; W218-P220 WeakPolarHBondContact O-CD 3.05Å
221	P	91.9	Very high	93.5	Very high	30 Å²	30	48.3 Å²	48.3	20%	0.195	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.2	172.3	33.7	-32.8	0	0	0	110.6	W155 I204 T206	W155-P221 HydrophobicContact CG-CB 4.46Å; I204-P221 HydrophobicContact CB-CG 4.27Å; I204-P221 HydrophobicContact CD1-CG 4.33Å; I204-P221 HydrophobicContact CG2-CG 4.2Å; T206-P221 VanDerWaalsContact CG2-CD 3.47Å; T206-P221 HydrophobicContact CG2-CG 4.18Å
222	G	89.7	Confident	93.2	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.6	178.5	0	0	0	0	0	113.3	L154 Y224	L154-G222 PolarHBondContact N-O 2.91Å; L154-G222 PolarHBondContact O-N 3.15Å; G222-Y224 WeakPolarHBondContact O-CD2 3.25Å
223	I	92.4	Very high	93	Very high	103 Å²	103	43 Å²	43	53%	0.528	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	109.4	166.2	-63.2	175.9	0	0	0	107	I141 T151 T152	I141-I223 HydrophobicContact CD1-CD1 4.05Å; I141-I223 HydrophobicContact CD1-CG1 3.99Å; I141-I223 HydrophobicContact CD1-CG2 3.86Å; T151-I223 HydrophobicContact CG2-CG2 3.68Å; T152-I223 CarbonylContact O-C 3.52Å; T152-I223 WeakPolarHBondContact O-CA 3.4Å
224	Y	93.5	Very high	92.7	Very high	13 Å²	13	43 Å²	43	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	-177.8	-67.5	-82.5	0	0	0	110.1	T151 T152 L154 L156 L192 I202 G222 M244 F246	T151-Y224 WeakPolarHBondContact CA-O 3.49Å; T152-Y224 PolarHBondContact N-O 2.83Å; T152-Y224 PolarHBondContact O-N 2.72Å; L154-Y224 HydrophobicContact CB-CD2 3.82Å; L154-Y224 HydrophobicContact CB-CE2 4.03Å; L154-Y224 HydrophobicContact CD1-CD2 3.97Å; L154-Y224 HydrophobicContact CG-CD2 3.91Å; L156-Y224 HydrophobicContact CD1-CE2 4.38Å; L156-Y224 VanDerWaalsContact CD1-OH 3.22Å; L156-Y224 WeakPolarHBondContact CD1-OH 3.39Å; L156-Y224 HydrophobicContact CD2-CE2 4.35Å; L156-Y224 HydrophobicContact CG-CE2 4.12Å; L192-Y224 HydrophobicContact CB-CD1 4.44Å; L192-Y224 HydrophobicContact CD2-CD1 4.17Å; I202-Y224 WeakPolarHBondContact CG1-OH 3.49Å; G222-Y224 WeakPolarHBondContact O-CD2 3.25Å; Y224-M244 HydrophobicContact CG-CE 4.3Å; Y224-F246 HydrophobicContact CD1-CE1 4.2Å; Y224-F246 HydrophobicContact CD1-CZ 4.21Å; Y224-F246 HydrophobicContact CE1-CE1 4.02Å; Y224-F246 HydrophobicContact CE1-CZ 4.38Å; Y224-F246 HydrophobicContact CG-CZ 4.37Å
225	K	94.5	Very high	92.5	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.287	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.5	170	-66.7	-172.3	-167.8	137.7	0	108.9	V149 L150 T151 C195 A196 D197	V149-K225 HydrophobicContact CG1-CB 3.73Å; V149-K225 HydrophobicContact CG1-CD 4.35Å; V149-K225 HydrophobicContact CG1-CG 4.21Å; L150-K225 WeakPolarHBondContact O-CA 3.26Å; T151-K225 HydrophobicContact CG2-CG 4.12Å; C195-K225 WeakPolarHBondContact CA-O 3.3Å; A196-K225 HydrophobicContact CB-CB 4.3Å; A196-K225 PolarHBondContact N-O 2.64Å; D197-K225 HydrophobicContact CB-CB 4.26Å; D197-K225 HydrophobicContact CB-CD 4Å; D197-K225 IonicContact OD1-NZ 3.25Å; D197-K225 PolarHBondContact OD1-NZ 2.9Å; D197-K225 IonicContact OD2-NZ 2.68Å; D197-K225 PolarHBondContact OD2-NZ 3.33Å
226	S	95.2	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139	-178.6	56.1	0	0	0	0	111	V149 L150 N194 C228	V149-S226 WeakPolarHBondContact CA-O 3.49Å; L150-S226 PolarHBondContact N-O 3.44Å; L150-S226 PolarHBondContact O-N 3.22Å; L150-S226 PolarHBondContact O-OG 2.88Å; N194-S226 CarbonylContact O-C 3.5Å; N194-S226 WeakPolarHBondContact O-CA 3.37Å; S226-C228 PolarHBondContact O-N 3.08Å
227	F	94.7	Very high	91.9	Very high	109 Å²	109	41.9 Å²	41.9	48%	0.478	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.7	169.5	-74.2	-63.2	0	0	0	109.9	V149 N194 C195 A196	V149-F227 HydrophobicContact CG2-CD1 4.45Å; N194-F227 PolarHBondContact ND2-O 3.32Å; N194-F227 VanDerWaalsContact ND2-O 3.07Å; N194-F227 PolarHBondContact O-N 2.89Å; C195-F227 WeakPolarHBondContact O-CE2 3.32Å; A196-F227 HydrophobicContact CB-CD1 3.79Å; A196-F227 HydrophobicContact CB-CD2 4.09Å; A196-F227 HydrophobicContact CB-CE1 3.68Å; A196-F227 HydrophobicContact CB-CE2 4.01Å; A196-F227 HydrophobicContact CB-CG 4Å; A196-F227 HydrophobicContact CB-CZ 3.8Å
228	C	95	Very high	91.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	19%	0.188	C	C	.	.			trans	-131.5	118.9	177.1	177.6	0	0	0	0	109.9	Q148 L150 S226 I230 C242	Q148-C228 CarbonylContact C-O 3.57Å; Q148-C228 WeakPolarHBondContact CB-O 3.2Å; Q148-C228 PolarHBondContact O-N 3.05Å; L150-C228 HydrophobicContact CB-CB 4.09Å; S226-C228 PolarHBondContact O-N 3.08Å; C228-I230 HydrophobicContact CB-CD1 4.37Å; C228-I230 PolarHBondContact O-N 3.32Å; C228-I230 VanDerWaalsContact O-N 3.09Å; C228-C242 HydrophobicContact CB-CB 3.74Å; C228-C242 WeakPolarHBondContact CB-SG 3.44Å; C228-C242 WeakPolarHBondContact SG-CA 3.27Å; C228-C242 WeakPolarHBondContact SG-CB 3.32Å; C228-C242 CovalentContact SG-SG 2.04Å; C228-C242 PolarHBondContact SG-SG 3.21Å
229	Q	92.1	Very high	91.6	Very high	160 Å²	160	43.2 Å²	43.2	75%	0.748	20%	0.204	S	C	*	.			trans	-73.9	102.4	178.4	-67.6	-176.5	1.4	0	0	109.9	D231	Q229-D231 PolarHBondContact O-N 3.06Å
230	I	92	Very high	91.7	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.051	19%	0.186	C	C	.	.			trans	-74.8	121.4	-178.8	-57.3	-53.1	0	0	0	111	V143 E145 C228 I232 Q240	V143-I230 HydrophobicContact CG1-CD1 3.95Å; E145-I230 HydrophobicContact CB-CG1 4.33Å; E145-I230 HydrophobicContact CB-CG2 4.12Å; E145-I230 HydrophobicContact CG-CG1 4.41Å; E145-I230 HydrophobicContact CG-CG2 3.98Å; C228-I230 HydrophobicContact CB-CD1 4.37Å; C228-I230 PolarHBondContact O-N 3.32Å; C228-I230 VanDerWaalsContact O-N 3.09Å; I230-I232 HydrophobicContact CG2-CG2 4.04Å; I230-Q240 HydrophobicContact CD1-CG 4.26Å
231	D	90.7	Very high	91.8	Very high	68 Å²	68	45.9 Å²	45.9	36%	0.364	22%	0.215	S	C	.	.			trans	-84.2	112.6	168.2	-179.9	15.6	0	0	0	109.8	Q229 Q233 Q240	Q229-D231 PolarHBondContact O-N 3.06Å; D231-Q233 WeakPolarHBondContact OD1-CB 3.36Å; D231-Q233 PolarHBondContact OD1-N 3.18Å; D231-Q240 PolarHBondContact O-NE2 3.24Å
232	I	90.3	Very high	92	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	21%	0.206	C	C	.	.			trans	-89.5	-5.2	178.4	61.6	176.8	0	0	0	113.4	I230 Y234 F235 P387 V392 P394	I230-I232 HydrophobicContact CG2-CG2 4.04Å; I232-Y234 VanDerWaalsContact C-N 3.25Å; I232-Y234 PolarHBondContact O-N 2.91Å; I232-F235 WeakPolarHBondContact O-CB 3.28Å; I232-F235 PolarHBondContact O-N 2.88Å; I232-P387 HydrophobicContact CG2-CG 3.63Å; I232-V392 HydrophobicContact CG1-CG2 4.05Å; I232-P394 HydrophobicContact CB-CB 4.28Å; I232-P394 HydrophobicContact CD1-CB 4.38Å; I232-P394 HydrophobicContact CD1-CG 4.05Å; I232-P394 HydrophobicContact CG1-CB 4.19Å; I232-P394 HydrophobicContact CG1-CG 4.41Å; I232-P394 WeakPolarHBondContact O-CB 3.36Å
233	Q	89.7	Confident	92.3	Very high	54 Å²	54	48 Å²	48	25%	0.252	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-46.5	-169.6	177.4	162.7	-61	0	0	113	D231 V392 F395	D231-Q233 WeakPolarHBondContact OD1-CB 3.36Å; D231-Q233 PolarHBondContact OD1-N 3.18Å; Q233-V392 HydrophobicContact CB-CG2 4.28Å; Q233-F395 HydrophobicContact CG-CD2 3.98Å; Q233-F395 HydrophobicContact CG-CE2 3.65Å; Q233-F395 WeakPolarHBondContact O-CD2 3.33Å; Q233-F395 PolarHBondContact O-N 3.31Å
234	Y	89	Confident	92.4	Very high	85 Å²	85	43.1 Å²	43.1	33%	0.333	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	6.4	-175.7	-65.9	-80.8	0	0	0	115.4	I232 Y237 F395 Q593 S595	I232-Y234 VanDerWaalsContact C-N 3.25Å; I232-Y234 PolarHBondContact O-N 2.91Å; Y234-Y237 CarbonylContact O-C 3.55Å; Y234-Y237 WeakPolarHBondContact O-CA 3.43Å; Y234-Y237 PolarHBondContact O-N 3.09Å; Y234-F395 AromaticContact CD1-CD2 3.92Å; Y234-F395 HydrophobicContact CD1-CD2 3.92Å; Y234-F395 HydrophobicContact CD1-CE2 4.01Å; Y234-F395 AromaticContact CE1-CD2 4Å; Y234-F395 HydrophobicContact CE1-CD2 4Å; Y234-F395 AromaticContact CE1-CE2 3.6Å; Y234-F395 HydrophobicContact CE1-CE2 3.6Å; Y234-F395 AromaticContact CZ-CE2 3.99Å; Y234-Q593 WeakPolarHBondContact CE1-O 3.41Å; Y234-S595 WeakPolarHBondContact CD1-OG 3.32Å
235	F	89	Confident	92.5	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.039	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	133.6	-177.8	178.6	-86.7	0	0	0	112.5	I232 Y336 L340 F382 I385	I232-F235 WeakPolarHBondContact O-CB 3.28Å; I232-F235 PolarHBondContact O-N 2.88Å; F235-Y336 AromaticContact CZ-CD1 3.92Å; F235-Y336 HydrophobicContact CZ-CD1 3.92Å; F235-Y336 AromaticContact CZ-CE1 3.95Å; F235-Y336 HydrophobicContact CZ-CE1 3.95Å; F235-Y336 HydrophobicContact CZ-CG 4.36Å; F235-L340 HydrophobicContact CE1-CD2 4.48Å; F235-F382 HydrophobicContact CD1-CE2 4.01Å; F235-F382 HydrophobicContact CE1-CE2 4.04Å; F235-I385 HydrophobicContact CZ-CG2 4.02Å
236	P	89.6	Confident	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.2	15.7	7.6	39.1	-38.4	0	0	0	114.6	D238 A333 Y336 V341	P236-D238 VanDerWaalsContact C-N 3.29Å; P236-D238 WeakPolarHBondContact CA-OD1 3.39Å; P236-A333 HydrophobicContact CB-CB 4.5Å; P236-A333 WeakPolarHBondContact O-CB 3.37Å; P236-Y336 HydrophobicContact CB-CD2 4.17Å; P236-Y336 HydrophobicContact CB-CG 3.94Å; P236-V341 HydrophobicContact CG-CG2 4.48Å
237	Y	88.8	Confident	92.5	Very high	34 Å²	34	41.2 Å²	41.2	13%	0.133	19%	0.188	C	C	.	.	S	Bend	trans	-100.9	41.8	178.1	-48.9	-70.3	0	0	0	110.4	Y234 A333 T337 F596	Y234-Y237 CarbonylContact O-C 3.55Å; Y234-Y237 WeakPolarHBondContact O-CA 3.43Å; Y234-Y237 PolarHBondContact O-N 3.09Å; Y237-A333 HydrophobicContact CD1-CB 3.39Å; Y237-A333 HydrophobicContact CE1-CB 3.44Å; Y237-A333 VanDerWaalsContact CE1-CB 3.44Å; Y237-A333 HydrophobicContact CG-CB 4.45Å; Y237-T337 WeakPolarHBondContact CE1-OG1 3.36Å; Y237-T337 WeakPolarHBondContact OH-CG2 3.47Å; Y237-T337 PolarHBondContact OH-OG1 3.17Å; Y237-F596 HydrophobicContact CD1-CB 4.48Å; Y237-F596 HydrophobicContact CD1-CD2 4.11Å; Y237-F596 HydrophobicContact CE1-CB 4.45Å; Y237-F596 AromaticContact CE1-CD2 3.54Å; Y237-F596 HydrophobicContact CE1-CD2 3.54Å; Y237-F596 HydrophobicContact CE1-CE2 4.29Å; Y237-F596 HydrophobicContact CE1-CG 4.45Å; Y237-F596 AromaticContact CZ-CD2 3.93Å
238	D	90.4	Very high	92.3	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	17%	0.167	C	C	.	.			trans	-89.2	148.7	-172.3	53.5	-64.4	0	0	0	113.5	P236 Q240 R331	P236-D238 VanDerWaalsContact C-N 3.29Å; P236-D238 WeakPolarHBondContact CA-OD1 3.39Å; D238-Q240 PolarHBondContact OD2-NE2 3.3Å; D238-R331 PolarHBondContact O-N 2.94Å; D238-R331 IonicContact OD1-CZ 2.75Å; D238-R331 IonicContact OD1-NE 3.16Å; D238-R331 PolarHBondContact OD1-NE 3.2Å; D238-R331 IonicContact OD1-NH2 3.94Å; D238-R331 IonicContact OD2-CZ 3.86Å; D238-R331 IonicContact OD2-NE 3.69Å; D238-R331 PolarHBondContact OD2-NE 3.43Å; D238-R331 IonicContact OD2-NH2 3.85Å; D238-R331 PolarHBondContact OD2-NH2 2.83Å
239	L	91.4	Very high	92.1	Very high	67 Å²	67	43.9 Å²	43.9	35%	0.351	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.2	174.1	176.6	160.1	0	0	0	107.1	K241 L300 T328 L329	L239-K241 HydrophobicContact CD2-CG 4.06Å; L239-L300 HydrophobicContact CD1-CD1 3.73Å; L239-L300 HydrophobicContact CG-CD1 4.39Å; L239-T328 HydrophobicContact CD1-CG2 4.22Å; L239-T328 HydrophobicContact CD2-CG2 3.67Å; L239-T328 HydrophobicContact CG-CG2 3.97Å; L239-L329 CarbonylContact C-O 3.54Å; L239-L329 VanDerWaalsContact CA-O 3.29Å; L239-L329 WeakPolarHBondContact CA-O 3.3Å
240	Q	94.1	Very high	92	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.7	-176.1	-55.9	-55.8	-23	0	0	110.5	I230 D231 D238 W297 T328 L329	I230-Q240 HydrophobicContact CD1-CG 4.26Å; D231-Q240 PolarHBondContact O-NE2 3.24Å; D238-Q240 PolarHBondContact OD2-NE2 3.3Å; Q240-W297 HydrophobicContact CB-CZ3 4.45Å; Q240-W297 HydrophobicContact CG-CH2 3.67Å; Q240-W297 HydrophobicContact CG-CZ3 3.79Å; Q240-T328 WeakPolarHBondContact O-CA 3.44Å; Q240-L329 PolarHBondContact N-O 2.79Å; Q240-L329 PolarHBondContact O-N 2.85Å
241	K	94	Very high	91.9	Very high	140 Å²	140	43 Å²	43	61%	0.609	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	90	174.7	-74	-173	171.2	-169.5	0	109.6	L239 T328	L239-K241 HydrophobicContact CD2-CG 4.06Å; K241-T328 HydrophobicContact CG-CG2 4.41Å
242	C	96.4	Very high	91.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	153.8	176	-61.1	0	0	0	0	111.1	L150 C228 I327	L150-C242 HydrophobicContact CB-CB 4.43Å; L150-C242 HydrophobicContact CD2-CB 3.45Å; L150-C242 VanDerWaalsContact CD2-CB 3.45Å; C228-C242 HydrophobicContact CB-CB 3.74Å; C228-C242 WeakPolarHBondContact CB-SG 3.44Å; C228-C242 WeakPolarHBondContact SG-CA 3.27Å; C228-C242 WeakPolarHBondContact SG-CB 3.32Å; C228-C242 CovalentContact SG-SG 2.04Å; C228-C242 PolarHBondContact SG-SG 3.21Å; C242-I327 PolarHBondContact N-O 3.47Å; C242-I327 PolarHBondContact O-N 2.99Å
243	H	95.4	Very high	92	Very high	78 Å²	78	40.2 Å²	40.2	36%	0.361	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	174.5	64.1	-94.3	0	0	0	111.1	N194 T324 F325 Y326	N194-H243 PolarHBondContact ND2-O 2.77Å; H243-T324 HydrophobicContact CB-CG2 3.89Å; H243-F325 CarbonylContact C-O 3.52Å; H243-F325 VanDerWaalsContact CA-O 3.23Å; H243-F325 WeakPolarHBondContact CA-O 3.43Å; H243-Y326 HydrophobicContact CB-CD1 3.72Å; H243-Y326 HydrophobicContact CB-CE1 3.77Å
244	M	95.3	Very high	92	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	107.5	178.3	-62	-174.3	69.1	0	0	108.7	T152 L154 L192 Y224 F246 T324 F325 I327	T152-M244 HydrophobicContact CG2-SD 4.37Å; T152-M244 WeakPolarHBondContact OG1-CE 3.3Å; T152-M244 PolarHBondContact OG1-SD 2.96Å; L154-M244 HydrophobicContact CD1-CE 3.68Å; L154-M244 HydrophobicContact CD1-SD 4.08Å; L192-M244 HydrophobicContact CD1-CB 4.04Å; L192-M244 HydrophobicContact CD1-CE 4.32Å; L192-M244 HydrophobicContact CD2-CE 4.28Å; Y224-M244 HydrophobicContact CG-CE 4.3Å; M244-F246 HydrophobicContact CB-CD2 4.48Å; M244-F246 HydrophobicContact CB-CE2 3.97Å; M244-F246 HydrophobicContact CE-CE2 4.2Å; M244-F246 HydrophobicContact CE-CZ 4.17Å; M244-T324 WeakPolarHBondContact O-CA 3.46Å; M244-F325 PolarHBondContact N-O 2.86Å; M244-F325 PolarHBondContact O-N 2.91Å; M244-I327 HydrophobicContact CG-CD1 4.47Å; M244-I327 HydrophobicContact SD-CD1 3.91Å
245	K	94.8	Very high	92.1	Very high	39 Å²	39	44.2 Å²	44.2	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.6	-172.8	-177.3	175.7	-174.2	89.7	0	110.6	Y193 N194 Y311 D322 T324	Y193-K245 HydrophobicContact CD2-CD 3.96Å; Y193-K245 HydrophobicContact CD2-CG 4.13Å; Y193-K245 HydrophobicContact CG-CG 4.4Å; Y193-K245 PolarHBondContact N-O 2.85Å; N194-K245 PolarHBondContact OD1-N 3.13Å; K245-Y311 WeakPolarHBondContact CE-OH 3.37Å; K245-D322 VanDerWaalsContact CE-CG 3.46Å; K245-D322 WeakPolarHBondContact CE-OD1 3.36Å; K245-D322 HydrophobicContact CG-CB 4.19Å; K245-D322 IonicContact NZ-OD1 2.64Å; K245-D322 PolarHBondContact NZ-OD1 3.2Å; K245-D322 IonicContact NZ-OD2 3.99Å; K245-D322 PolarHBondContact NZ-OD2 3.08Å; K245-T324 HydrophobicContact CB-CG2 4.47Å; K245-T324 WeakPolarHBondContact CG-OG1 3.4Å
246	F	95.2	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.9	176.3	-70.7	-89.3	0	0	0	110.7	F133 L154 L156 I190 L191 L192 Y224 M244 D322 I323 F325	F133-F246 HydrophobicContact CE1-CB 3.72Å; F133-F246 HydrophobicContact CE1-CD2 4.35Å; F133-F246 HydrophobicContact CE1-CG 4.07Å; F133-F246 HydrophobicContact CZ-CB 3.77Å; F133-F246 HydrophobicContact CZ-CD1 4.08Å; F133-F246 HydrophobicContact CZ-CD2 4.25Å; F133-F246 AromaticContact CZ-CG 3.78Å; F133-F246 HydrophobicContact CZ-CG 3.78Å; L154-F246 HydrophobicContact CD1-CE2 4.31Å; L154-F246 HydrophobicContact CD1-CZ 4.15Å; L156-F246 HydrophobicContact CD1-CD1 4.39Å; L156-F246 HydrophobicContact CD1-CE1 3.95Å; L156-F246 HydrophobicContact CD2-CE1 4.09Å; L156-F246 HydrophobicContact CD2-CZ 3.96Å; I190-F246 HydrophobicContact CG2-CB 4.02Å; I190-F246 HydrophobicContact CG2-CD1 4.27Å; L191-F246 WeakPolarHBondContact O-CA 3.43Å; L192-F246 HydrophobicContact CB-CD1 4.27Å; L192-F246 HydrophobicContact CB-CE1 3.92Å; L192-F246 HydrophobicContact CB-CZ 4.38Å; L192-F246 HydrophobicContact CD1-CD2 4.31Å; L192-F246 HydrophobicContact CD1-CE1 4.26Å; L192-F246 HydrophobicContact CD1-CE2 4Å; L192-F246 HydrophobicContact CD1-CZ 3.98Å; Y224-F246 HydrophobicContact CD1-CE1 4.2Å; Y224-F246 HydrophobicContact CD1-CZ 4.21Å; Y224-F246 HydrophobicContact CE1-CE1 4.02Å; Y224-F246 HydrophobicContact CE1-CZ 4.38Å; Y224-F246 HydrophobicContact CG-CZ 4.37Å; M244-F246 HydrophobicContact CB-CD2 4.48Å; M244-F246 HydrophobicContact CB-CE2 3.97Å; M244-F246 HydrophobicContact CE-CE2 4.2Å; M244-F246 HydrophobicContact CE-CZ 4.17Å; F246-D322 WeakPolarHBondContact O-CA 3.27Å; F246-D322 WeakPolarHBondContact O-CB 3.48Å; F246-I323 PolarHBondContact N-O 3.45Å; F246-I323 PolarHBondContact O-N 3.48Å; F246-F325 AromaticContact CD2-CD2 3.67Å; F246-F325 HydrophobicContact CD2-CD2 3.67Å; F246-F325 AromaticContact CD2-CE2 3.53Å; F246-F325 HydrophobicContact CD2-CE2 3.53Å; F246-F325 AromaticContact CE2-CD2 3.83Å; F246-F325 HydrophobicContact CE2-CD2 3.83Å; F246-F325 AromaticContact CE2-CE2 3.85Å; F246-F325 HydrophobicContact CE2-CE2 3.85Å; F246-F325 HydrophobicContact CG-CE2 4.46Å
247	G	93.7	Very high	92.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.3	-177.8	0	0	0	0	0	112.3	I190 L191 Y193	I190-G247 WeakPolarHBondContact CA-O 3.41Å; L191-G247 PolarHBondContact N-O 3.4Å; L191-G247 PolarHBondContact O-N 2.86Å; Y193-G247 WeakPolarHBondContact CE1-O 3.22Å
248	G	92.1	Very high	92.8	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.3	170.6	0	0	0	0	0	110.5	Y193	Y193-G248 PolarHBondContact OH-O 3.5Å; Y193-G248 VanDerWaalsContact OH-O 3.08Å
249	W	89.7	Confident	92.9	Very high	166 Å²	166	48.9 Å²	48.9	63%	0.629	22%	0.217	S	C	*	.	S	Bend	trans	-82.4	-43.8	-171	-173.2	-100.7	0	0	0	113.9	D189 L191 Y193	D189-W249 PolarHBondContact O-N 3.09Å; D189-W249 VanDerWaalsContact O-N 3.13Å; D189-W249 PolarHBondContact OD2-N 3.49Å; L191-W249 HydrophobicContact CD1-CB 3.82Å; L191-W249 HydrophobicContact CD1-CD2 4.21Å; L191-W249 HydrophobicContact CD1-CE3 4.4Å; L191-W249 HydrophobicContact CD1-CG 3.97Å; L191-W249 HydrophobicContact CG-CB 4.3Å; Y193-W249 HydrophobicContact CE1-CE3 4.18Å
250	T	90.2	Very high	92.9	Very high	96 Å²	96	46.4 Å²	46.4	59%	0.589	20%	0.203	S	C	*	.	S	Bend	trans	-93.5	-37.1	-171.5	-47.8	0	0	0	0	112.3	D189	D189-T250 WeakPolarHBondContact OD2-CA 3.41Å; D189-T250 WeakPolarHBondContact OD2-CB 3.39Å; D189-T250 PolarHBondContact OD2-N 2.83Å; D189-T250 PolarHBondContact OD2-OG1 3.34Å
251	Y	90.3	Very high	92.5	Very high	54 Å²	54	48.3 Å²	48.3	21%	0.212	21%	0.213	C	C	.	.			trans	-94.2	125.7	-175.2	-62.4	-81.2	0	0	0	111.8	R120 W186 D189 Y255 L256	R120-Y251 HydrophobicContact CB-CE1 4.45Å; W186-Y251 HydrophobicContact CZ2-CE2 4.03Å; D189-Y251 WeakPolarHBondContact OD1-CD2 3.4Å; Y251-Y255 HydrophobicContact CD1-CG 4.44Å; Y251-L256 HydrophobicContact CD2-CD1 4.01Å; Y251-L256 HydrophobicContact CG-CB 4.38Å; Y251-L256 HydrophobicContact CG-CD1 4.25Å
252	N	91.3	Very high	91.6	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	20%	0.202	C	C	.	.			trans	-70.4	171.3	167.7	69	23.6	0	0	0	111.6	F254 Y255 L256 D318 Y320	N252-F254 PolarHBondContact O-N 3.45Å; N252-F254 VanDerWaalsContact O-N 3.1Å; N252-F254 WeakPolarHBondContact OD1-CB 3.35Å; N252-F254 PolarHBondContact OD1-N 2.99Å; N252-Y255 PolarHBondContact O-N 3.05Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.43Å; N252-Y255 PolarHBondContact OD1-N 3.3Å; N252-L256 PolarHBondContact O-N 2.64Å; N252-L256 VanDerWaalsContact O-N 3.13Å; N252-D318 HydrophobicContact CB-CB 4.04Å; N252-D318 PolarHBondContact ND2-OD2 3.4Å; N252-Y320 HydrophobicContact CB-CE1 4.5Å; N252-Y320 HydrophobicContact CB-CE2 4.2Å
253	G	90.9	Very high	90.1	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.4	-179.4	0	0	0	0	0	116	Y319	G253-Y319 PolarHBondContact N-O 3.45Å; G253-Y319 PolarHBondContact O-OH 2.97Å
254	F	90	Very high	88.6	Confident	108 Å²	108	49 Å²	49	47%	0.474	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.5	170	-58.8	-71.3	0	0	0	112.6	N252 Y319	N252-F254 PolarHBondContact O-N 3.45Å; N252-F254 VanDerWaalsContact O-N 3.1Å; N252-F254 WeakPolarHBondContact OD1-CB 3.35Å; N252-F254 PolarHBondContact OD1-N 2.99Å; F254-Y319 HydrophobicContact CD1-CE1 4.02Å; F254-Y319 HydrophobicContact CD2-CE1 4.43Å; F254-Y319 HydrophobicContact CE1-CD1 4.49Å; F254-Y319 AromaticContact CE1-CE1 3.62Å; F254-Y319 HydrophobicContact CE1-CE1 3.62Å; F254-Y319 HydrophobicContact CE2-CD1 4.28Å; F254-Y319 HydrophobicContact CE2-CE1 4.07Å; F254-Y319 HydrophobicContact CG-CE1 4.42Å; F254-Y319 HydrophobicContact CZ-CD1 4.08Å; F254-Y319 AromaticContact CZ-CE1 3.65Å; F254-Y319 HydrophobicContact CZ-CE1 3.65Å
255	Y	92.4	Very high	86.9	Confident	114 Å²	114	52.6 Å²	52.6	45%	0.447	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-25	178.6	-64.2	-59.8	0	0	0	113.7	R120 L129 Y251 N252	R120-Y255 PolarHBondContact NH1-O 3.41Å; L129-Y255 PolarHBondContact N-O 3.4Å; Y251-Y255 HydrophobicContact CD1-CG 4.44Å; N252-Y255 PolarHBondContact O-N 3.05Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.43Å; N252-Y255 PolarHBondContact OD1-N 3.3Å
256	L	93	Very high	85.4	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	118	-173.9	-173.4	160.3	0	0	0	110	L129 I131 Y251 N252 M258	L129-L256 WeakPolarHBondContact O-CA 3.2Å; I131-L256 HydrophobicContact CD1-CD1 3.69Å; I131-L256 HydrophobicContact CD1-CD2 3.93Å; I131-L256 HydrophobicContact CD1-CG 3.67Å; I131-L256 HydrophobicContact CG1-CG 4.49Å; Y251-L256 HydrophobicContact CD2-CD1 4.01Å; Y251-L256 HydrophobicContact CG-CB 4.38Å; Y251-L256 HydrophobicContact CG-CD1 4.25Å; N252-L256 PolarHBondContact O-N 2.64Å; N252-L256 VanDerWaalsContact O-N 3.13Å; L256-M258 HydrophobicContact CD2-CG 3.4Å; L256-M258 HydrophobicContact CD2-SD 4.36Å
257	D	94.1	Very high	83.9	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.9	177.5	175.5	31	0	0	0	110.3	V128 L129 V130 I131 R259 R306 I321	V128-D257 HydrophobicContact CG1-CB 3.8Å; L129-D257 PolarHBondContact O-N 2.68Å; V130-D257 WeakPolarHBondContact CA-O 3.45Å; I131-D257 PolarHBondContact N-O 3.44Å; D257-R259 IonicContact OD2-CZ 3.94Å; D257-R259 IonicContact OD2-NE 3.1Å; D257-R259 PolarHBondContact OD2-NE 2.91Å; D257-R259 IonicContact OD2-NH2 3.77Å; D257-R259 PolarHBondContact OD2-NH2 2.73Å; D257-R306 IonicContact OD1-CZ 3.16Å; D257-R306 IonicContact OD1-NE 2.67Å; D257-R306 IonicContact OD1-NH2 2.75Å; D257-R306 PolarHBondContact OD1-NH2 2.94Å; D257-I321 HydrophobicContact CB-CD1 4.25Å; D257-I321 WeakPolarHBondContact OD1-CD1 3.31Å
258	M	94.2	Very high	82.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.9	175.1	-60	-162.1	-63.9	0	0	111	I131 I190 L256 R306 I321 I323	I131-M258 CarbonylContact O-C 3.57Å; I131-M258 WeakPolarHBondContact O-CA 3.5Å; I190-M258 HydrophobicContact CD1-SD 3.59Å; I190-M258 VanDerWaalsContact CD1-SD 3.59Å; I190-M258 HydrophobicContact CG1-SD 3.77Å; I190-M258 HydrophobicContact CG2-SD 4.41Å; L256-M258 HydrophobicContact CD2-CG 3.4Å; L256-M258 HydrophobicContact CD2-SD 4.36Å; M258-R306 VanDerWaalsContact O-CD 3.26Å; M258-R306 WeakPolarHBondContact O-CD 3.46Å; M258-R306 PolarHBondContact O-NE 2.81Å; M258-I321 HydrophobicContact CB-CG2 4Å; M258-I321 HydrophobicContact CE-CG2 4.42Å; M258-I321 VanDerWaalsContact CE-O 3.29Å; M258-I321 WeakPolarHBondContact CE-O 3.44Å; M258-I323 HydrophobicContact CB-CD1 3.94Å
259	R	92.2	Very high	82.1	Confident	122 Å²	122	66.6 Å²	66.6	46%	0.46	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.6	178.2	-59.9	-175.6	-176.6	178.4	2.6	110	V130 I131 N132 F133 D257	V130-R259 HydrophobicContact CG1-CG 4.17Å; I131-R259 PolarHBondContact O-N 2.9Å; N132-R259 CarbonylContact C-O 3.59Å; N132-R259 WeakPolarHBondContact CA-O 3.39Å; F133-R259 PolarHBondContact N-O 3.2Å; D257-R259 IonicContact OD2-CZ 3.94Å; D257-R259 IonicContact OD2-NE 3.1Å; D257-R259 PolarHBondContact OD2-NE 2.91Å; D257-R259 IonicContact OD2-NH2 3.77Å; D257-R259 PolarHBondContact OD2-NH2 2.73Å
260	Q	90.9	Very high	81.6	Confident	15 Å²	15	65.1 Å²	65.1	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.3	177.2	-68.9	174.1	-12.8	0	0	110.8	F133 A262 L268 S304 R306 I323	F133-Q260 CarbonylContact O-C 3.55Å; F133-Q260 WeakPolarHBondContact O-CA 3.45Å; Q260-A262 PolarHBondContact O-N 3.42Å; Q260-L268 HydrophobicContact CB-CD2 4.22Å; Q260-S304 PolarHBondContact NE2-O 3.47Å; Q260-S304 VanDerWaalsContact NE2-O 3.08Å; Q260-S304 PolarHBondContact NE2-OG 3.25Å; Q260-R306 HydrophobicContact CG-CB 4.49Å; Q260-I323 HydrophobicContact CG-CD1 3.92Å; Q260-I323 HydrophobicContact CG-CG1 4.13Å; Q260-I323 HydrophobicContact CG-CG2 4.11Å
261	I	85.9	Confident	81	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.205	33%	0.33	C	S	.	.			trans	-74.5	114.5	168	-64.7	170.8	0	0	0	108.5	N132 F133 E157 Q159 T263	N132-I261 HydrophobicContact CB-CD1 4.28Å; N132-I261 HydrophobicContact CB-CG1 3.73Å; F133-I261 PolarHBondContact O-N 3.23Å; E157-I261 HydrophobicContact CB-CD1 4.27Å; E157-I261 HydrophobicContact CG-CD1 3.68Å; Q159-I261 HydrophobicContact CG-CD1 4.28Å; I261-T263 PolarHBondContact O-N 3.12Å
262	A	75.7	Confident	80.5	Confident	45 Å²	45	68.2 Å²	68.2	37%	0.372	35%	0.352	S	S	.	.			trans	-89.4	102.7	177.3	0	0	0	0	0	111.3	Q260	Q260-A262 PolarHBondContact O-N 3.42Å
263	T	65.6	Low	79.9	Confident	54 Å²	54	68.8 Å²	68.8	33%	0.331	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-71	147.7	175	-46.8	0	0	0	0	111.3	I261 G265	I261-T263 PolarHBondContact O-N 3.12Å; T263-G265 VanDerWaalsContact C-N 3.28Å; T263-G265 PolarHBondContact O-N 2.92Å
264	D	63.6	Low	79.2	Confident	135 Å²	135	77.7 Å²	77.7	72%	0.722	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	55.1	31.3	174.9	-58.1	-27.6	0	0	0	116.3	R266	D264-R266 PolarHBondContact O-N 3.46Å; D264-R266 VanDerWaalsContact O-N 3.1Å
265	G	59.9	Low	78.7	Confident	75 Å²	75	77.8 Å²	77.8	77%	0.773	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	67.9	11.6	171.6	0	0	0	0	0	114.9	T263	T263-G265 VanDerWaalsContact C-N 3.28Å; T263-G265 PolarHBondContact O-N 2.92Å
266	R	62.8	Low	78.3	Confident	93 Å²	93	73.9 Å²	73.9	35%	0.351	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-67.1	138.3	176.6	-62.6	-173.1	178.1	114.8	-17.8	110.4	D264 L282 E284	D264-R266 PolarHBondContact O-N 3.46Å; D264-R266 VanDerWaalsContact O-N 3.1Å; R266-L282 HydrophobicContact CB-CD1 4.41Å; R266-E284 IonicContact CZ-OE1 2.83Å; R266-E284 VanDerWaalsContact CZ-OE1 3.29Å; R266-E284 IonicContact CZ-OE2 3.88Å; R266-E284 IonicContact NE-OE1 2.91Å; R266-E284 IonicContact NH1-OE1 2.66Å; R266-E284 IonicContact NH1-OE2 2.7Å; R266-E284 PolarHBondContact NH1-OE2 3.34Å; R266-E284 IonicContact NH2-OE1 2.77Å; R266-E284 PolarHBondContact NH2-OE1 3.32Å; R266-E284 IonicContact NH2-OE2 2.78Å; R266-E284 PolarHBondContact NH2-OE2 3.3Å
267	T	63.1	Low	77.8	Confident	116 Å²	116	78.5 Å²	78.5	71%	0.712	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-80.7	137.4	-177.3	44.8	0	0	0	0	112	V269	T267-V269 PolarHBondContact O-N 3.1Å
268	L	73.5	Confident	77.4	Confident	62 Å²	62	86.3 Å²	86.3	33%	0.325	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-65.9	123.9	169.4	-64.5	170.9	0	0	0	109.2	Q260 W280 L282	Q260-L268 HydrophobicContact CB-CD2 4.22Å; L268-W280 HydrophobicContact CB-CE3 3.96Å; L268-W280 HydrophobicContact CD1-CE3 4.26Å; L268-L282 HydrophobicContact CD2-CB 4.16Å; L268-L282 HydrophobicContact CD2-CD1 4.29Å
269	V	75.2	Confident	77.2	Confident	65 Å²	65	86.4 Å²	86.4	39%	0.394	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.9	-176.7	-174.9	0	0	0	0	109.8	T267 T271 R281	T267-V269 PolarHBondContact O-N 3.1Å; V269-T271 PolarHBondContact O-N 2.87Å; V269-T271 PolarHBondContact O-OG1 3.38Å; V269-R281 PolarHBondContact N-O 3.17Å; V269-R281 PolarHBondContact O-N 3.3Å
270	H	78.2	Confident	76.9	Confident	134 Å²	134	85.2 Å²	85.2	62%	0.62	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	105.9	167.4	-74.5	-66.4	0	0	0	110	W280	H270-W280 AromaticContact CE1-CD2 3.81Å; H270-W280 AromaticContact CE1-CE2 3.65Å; H270-W280 AromaticContact CE1-CE3 3.61Å; H270-W280 AromaticContact CE1-CH2 3.21Å; H270-W280 WeakPolarHBondContact CE1-CH2 3.45Å; H270-W280 AromaticContact CE1-CZ2 3.39Å; H270-W280 WeakPolarHBondContact CE1-CZ2 3.41Å; H270-W280 AromaticContact CE1-CZ3 3.31Å; H270-W280 WeakPolarHBondContact CE1-CZ3 3.37Å; H270-W280 AromaticContact ND1-CD2 3.91Å; H270-W280 AromaticContact ND1-CE3 3.85Å; H270-W280 AromaticContact ND1-CZ3 4Å; H270-W280 AromaticContact NE2-CH2 3.55Å; H270-W280 AromaticContact NE2-CZ3 3.5Å
271	T	78.5	Confident	76.8	Confident	41 Å²	41	88.1 Å²	88.1	25%	0.252	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	172.9	-177.1	-46.8	0	0	0	0	108.8	V269 V279 R281	V269-T271 PolarHBondContact O-N 2.87Å; V269-T271 PolarHBondContact O-OG1 3.38Å; T271-V279 PolarHBondContact N-O 2.8Å; T271-V279 PolarHBondContact O-N 2.97Å; T271-R281 WeakPolarHBondContact OG1-CB 3.46Å
272	R	79	Confident	76.9	Confident	174 Å²	174	86.5 Å²	86.5	66%	0.657	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.7	162.6	-65	-175.5	-170.5	-152	10.2	110.2	G276 N277	R272-G276 WeakPolarHBondContact CD-O 3.4Å; R272-N277 CarbonylContact C-O 3.46Å; R272-N277 WeakPolarHBondContact CA-O 3.4Å
273	D	79.1	Confident	77.2	Confident	27 Å²	27	91.3 Å²	91.3	14%	0.144	47%	0.471	C	S	.	.			trans	-73	178.2	171.2	69.5	17.4	0	0	0	111.6	T275 G276 N277 V279	D273-T275 VanDerWaalsContact CG-OG1 3.24Å; D273-T275 PolarHBondContact O-N 3.06Å; D273-T275 VanDerWaalsContact O-N 3.17Å; D273-T275 VanDerWaalsContact OD1-C 3.28Å; D273-T275 VanDerWaalsContact OD1-CA 3.27Å; D273-T275 WeakPolarHBondContact OD1-CA 3.2Å; D273-T275 WeakPolarHBondContact OD1-CB 3.47Å; D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 2.98Å; D273-T275 PolarHBondContact OD2-OG1 2.73Å; D273-G276 PolarHBondContact O-N 3.5Å; D273-G276 PolarHBondContact OD1-N 3.4Å; D273-N277 PolarHBondContact N-O 3.43Å; D273-N277 PolarHBondContact OD1-N 3Å; D273-N277 WeakPolarHBondContact OD2-CB 3.49Å; D273-V279 HydrophobicContact CB-CG1 3.95Å; D273-V279 HydrophobicContact CB-CG2 4.46Å
274	E	76.4	Confident	78.1	Confident	189 Å²	189	92 Å²	92	88%	0.883	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.4	178.6	-60.3	-173.7	164.6	0	0	113.1
275	T	80	Confident	79.1	Confident	109 Å²	109	86 Å²	86	67%	0.669	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.3	175.3	71.2	0	0	0	0	113.4	D273 N277	D273-T275 VanDerWaalsContact CG-OG1 3.24Å; D273-T275 PolarHBondContact O-N 3.06Å; D273-T275 VanDerWaalsContact O-N 3.17Å; D273-T275 VanDerWaalsContact OD1-C 3.28Å; D273-T275 VanDerWaalsContact OD1-CA 3.27Å; D273-T275 WeakPolarHBondContact OD1-CA 3.2Å; D273-T275 WeakPolarHBondContact OD1-CB 3.47Å; D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 2.98Å; D273-T275 PolarHBondContact OD2-OG1 2.73Å; T275-N277 PolarHBondContact OG1-ND2 3.04Å
276	G	82.5	Confident	80.6	Confident	33 Å²	33	82.8 Å²	82.8	34%	0.34	41%	0.405	S	S	.	.	S	Bend	trans	90.1	2.8	179.4	0	0	0	0	0	115.5	R272 D273	R272-G276 WeakPolarHBondContact CD-O 3.4Å; D273-G276 PolarHBondContact O-N 3.5Å; D273-G276 PolarHBondContact OD1-N 3.4Å
277	N	84.3	Confident	81.8	Confident	103 Å²	103	79.9 Å²	79.9	55%	0.551	40%	0.396	S	S	*	.			trans	-72.4	153.8	175.7	-64.3	-48.4	0	0	0	110.9	R272 D273 T275	R272-N277 CarbonylContact C-O 3.46Å; R272-N277 WeakPolarHBondContact CA-O 3.4Å; D273-N277 PolarHBondContact N-O 3.43Å; D273-N277 PolarHBondContact OD1-N 3Å; D273-N277 WeakPolarHBondContact OD2-CB 3.49Å; T275-N277 PolarHBondContact OG1-ND2 3.04Å
278	K	85.1	Confident	83	Confident	181 Å²	181	75 Å²	75	79%	0.787	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.3	176	-63.9	178.5	-175.5	174.4	0	109.7
279	V	89.1	Confident	83.5	Confident	1 Å²	1	73 Å²	73	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.3	175.1	-63.2	0	0	0	0	110.9	T271 D273 D305 H307	T271-V279 PolarHBondContact N-O 2.8Å; T271-V279 PolarHBondContact O-N 2.97Å; D273-V279 HydrophobicContact CB-CG1 3.95Å; D273-V279 HydrophobicContact CB-CG2 4.46Å; V279-D305 HydrophobicContact CB-CB 4.21Å; V279-D305 HydrophobicContact CG2-CB 4.45Å; V279-H307 WeakPolarHBondContact CG1-CD2 3.27Å
280	W	86.4	Confident	83.9	Confident	98 Å²	98	71.5 Å²	71.5	37%	0.371	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112	165.9	-57.7	80.9	0	0	0	107.6	L268 H270 D305 R306	L268-W280 HydrophobicContact CB-CE3 3.96Å; L268-W280 HydrophobicContact CD1-CE3 4.26Å; H270-W280 AromaticContact CE1-CD2 3.81Å; H270-W280 AromaticContact CE1-CE2 3.65Å; H270-W280 AromaticContact CE1-CE3 3.61Å; H270-W280 AromaticContact CE1-CH2 3.21Å; H270-W280 WeakPolarHBondContact CE1-CH2 3.45Å; H270-W280 AromaticContact CE1-CZ2 3.39Å; H270-W280 WeakPolarHBondContact CE1-CZ2 3.41Å; H270-W280 AromaticContact CE1-CZ3 3.31Å; H270-W280 WeakPolarHBondContact CE1-CZ3 3.37Å; H270-W280 AromaticContact ND1-CD2 3.91Å; H270-W280 AromaticContact ND1-CE3 3.85Å; H270-W280 AromaticContact ND1-CZ3 4Å; H270-W280 AromaticContact NE2-CH2 3.55Å; H270-W280 AromaticContact NE2-CZ3 3.5Å; W280-D305 WeakPolarHBondContact O-CA 3.41Å; W280-R306 HydrophobicContact CB-CB 4.25Å; W280-R306 PolarHBondContact N-O 3.34Å; W280-R306 PolarHBondContact O-N 3.4Å
281	R	88.6	Confident	84.5	Confident	76 Å²	76	65.6 Å²	65.6	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.3	-177.1	-174.4	161.6	-70.9	169	-1.3	111.4	V269 T271 S304 D305	V269-R281 PolarHBondContact N-O 3.17Å; V269-R281 PolarHBondContact O-N 3.3Å; T271-R281 WeakPolarHBondContact OG1-CB 3.46Å; R281-S304 WeakPolarHBondContact CA-O 3.49Å; R281-D305 WeakPolarHBondContact CA-OD1 3.09Å; R281-D305 WeakPolarHBondContact CB-OD1 3.31Å; R281-D305 WeakPolarHBondContact CG-OD1 3.27Å; R281-D305 IonicContact CZ-OD1 3.77Å; R281-D305 IonicContact CZ-OD2 2.74Å; R281-D305 IonicContact NE-OD1 2.71Å; R281-D305 PolarHBondContact NE-OD1 3.47Å; R281-D305 IonicContact NE-OD2 2.68Å; R281-D305 PolarHBondContact NE-OD2 3.01Å; R281-D305 IonicContact NH2-OD1 3.15Å; R281-D305 IonicContact NH2-OD2 3.29Å; R281-D305 PolarHBondContact NH2-OD2 3Å
282	L	87.6	Confident	85	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.2	166.9	-171.1	60.7	0	0	0	109.1	R266 L268 E284 S303 S304	R266-L282 HydrophobicContact CB-CD1 4.41Å; L268-L282 HydrophobicContact CD2-CB 4.16Å; L268-L282 HydrophobicContact CD2-CD1 4.29Å; L282-E284 WeakPolarHBondContact CD2-O 3.36Å; L282-E284 WeakPolarHBondContact CG-O 3.48Å; L282-S303 WeakPolarHBondContact O-CA 3.37Å; L282-S303 WeakPolarHBondContact O-CB 3.43Å; L282-S304 PolarHBondContact N-O 3.16Å; L282-S304 PolarHBondContact O-N 3.48Å
283	Q	82.9	Confident	85.5	Confident	146 Å²	146	67.9 Å²	67.9	68%	0.682	33%	0.327	S	S	*	.	S	Bend	trans	-71.9	-38.6	-174.3	-69.7	-178.8	-15.3	0	0	112.9	S303	Q283-S303 WeakPolarHBondContact O-CA 3.26Å
284	E	84.2	Confident	86	Confident	70 Å²	70	67.1 Å²	67.1	33%	0.327	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-110.1	85.7	167.7	-78.8	167.9	-131.8	0	0	106.9	R266 L282 M286 L302	R266-E284 IonicContact CZ-OE1 2.83Å; R266-E284 VanDerWaalsContact CZ-OE1 3.29Å; R266-E284 IonicContact CZ-OE2 3.88Å; R266-E284 IonicContact NE-OE1 2.91Å; R266-E284 IonicContact NH1-OE1 2.66Å; R266-E284 IonicContact NH1-OE2 2.7Å; R266-E284 PolarHBondContact NH1-OE2 3.34Å; R266-E284 IonicContact NH2-OE1 2.77Å; R266-E284 PolarHBondContact NH2-OE1 3.32Å; R266-E284 IonicContact NH2-OE2 2.78Å; R266-E284 PolarHBondContact NH2-OE2 3.3Å; L282-E284 WeakPolarHBondContact CD2-O 3.36Å; L282-E284 WeakPolarHBondContact CG-O 3.48Å; E284-M286 PolarHBondContact O-N 2.8Å; E284-L302 CarbonylContact C-O 3.51Å; E284-L302 WeakPolarHBondContact CA-O 3.18Å
285	G	85.3	Confident	86.6	Confident	7 Å²	7	63.6 Å²	63.6	7%	0.072	32%	0.32	C	S	.	.			trans	-73.6	-10.9	-171.5	0	0	0	0	0	115	L302 S304 F325	G285-L302 PolarHBondContact N-O 3.43Å; G285-S304 WeakPolarHBondContact CA-OG 3.23Å; G285-F325 VanDerWaalsContact O-CE1 3.26Å; G285-F325 WeakPolarHBondContact O-CE1 3.22Å
286	M	90	Very high	87.1	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.039	30%	0.301	C	S	.	.	S	Bend	trans	-142.9	148.7	-175.9	-64.7	174.1	74.9	0	0	110.3	A135 L137 L154 E284 L302 F325	A135-M286 HydrophobicContact CB-CE 3.7Å; A135-M286 HydrophobicContact CB-CG 4.37Å; A135-M286 CarbonylContact O-C 3.52Å; A135-M286 WeakPolarHBondContact O-CA 3.32Å; A135-M286 WeakPolarHBondContact O-CB 3.19Å; L137-M286 HydrophobicContact CB-CE 3.87Å; L154-M286 HydrophobicContact CD1-CE 4.05Å; L154-M286 HydrophobicContact CD2-CE 3.51Å; L154-M286 HydrophobicContact CG-CE 4.37Å; E284-M286 PolarHBondContact O-N 2.8Å; M286-L302 HydrophobicContact CB-CD2 3.8Å; M286-L302 HydrophobicContact CB-CG 4.05Å; M286-L302 HydrophobicContact CG-CD1 4.46Å; M286-L302 HydrophobicContact CG-CD2 4.47Å; M286-L302 HydrophobicContact CG-CG 4.34Å; M286-L302 HydrophobicContact SD-CD1 3.69Å; M286-L302 HydrophobicContact SD-CD2 4.24Å; M286-L302 HydrophobicContact SD-CG 4.14Å; M286-F325 HydrophobicContact CG-CB 4.46Å; M286-F325 HydrophobicContact CG-CD1 3.29Å; M286-F325 HydrophobicContact CG-CE1 3.61Å; M286-F325 HydrophobicContact CG-CG 3.95Å; M286-F325 HydrophobicContact CG-CZ 4.45Å; M286-F325 HydrophobicContact SD-CB 3.83Å; M286-F325 HydrophobicContact SD-CD1 3.75Å; M286-F325 HydrophobicContact SD-CD2 4.41Å; M286-F325 HydrophobicContact SD-CE1 4.44Å; M286-F325 HydrophobicContact SD-CG 3.75Å
287	D	88.2	Confident	87.6	Confident	32 Å²	32	59.8 Å²	59.8	17%	0.171	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-72	139.3	174.5	162.7	47.9	0	0	0	111.7	A135 S136 L137 S289	A135-D287 PolarHBondContact O-N 3.22Å; S136-D287 CarbonylContact C-O 3.49Å; S136-D287 VanDerWaalsContact CA-O 3.31Å; S136-D287 WeakPolarHBondContact CA-O 3.36Å; S136-D287 VanDerWaalsContact CB-OD2 3.31Å; S136-D287 WeakPolarHBondContact CB-OD2 3.45Å; S136-D287 WeakPolarHBondContact OG-CB 3.49Å; S136-D287 PolarHBondContact OG-OD2 2.9Å; L137-D287 PolarHBondContact N-O 3.05Å; D287-S289 VanDerWaalsContact OD1-CB 3.27Å; D287-S289 WeakPolarHBondContact OD1-CB 3.27Å; D287-S289 PolarHBondContact OD1-N 3.34Å; D287-S289 PolarHBondContact OD1-OG 2.76Å; D287-S289 VanDerWaalsContact OD1-OG 3.08Å
288	L	88.6	Confident	88	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	27%	0.267	C	S	.	.			trans	-121	3.4	-178.8	-71.1	170	0	0	0	113.5	L137 Y290 F291 L299 L302 L604 P607	L137-L288 HydrophobicContact CB-CD2 4.09Å; L137-L288 HydrophobicContact CD2-CD2 4.26Å; L288-Y290 PolarHBondContact O-N 3.05Å; L288-F291 HydrophobicContact CB-CB 4.32Å; L288-F291 HydrophobicContact CD2-CB 3.81Å; L288-F291 HydrophobicContact CD2-CD1 4.42Å; L288-F291 HydrophobicContact CD2-CD2 3.97Å; L288-F291 HydrophobicContact CD2-CG 3.83Å; L288-F291 WeakPolarHBondContact O-CB 3.41Å; L288-F291 PolarHBondContact O-N 3.46Å; L288-L299 HydrophobicContact CD1-CD2 4.18Å; L288-L299 HydrophobicContact CD2-CD2 3.91Å; L288-L302 HydrophobicContact CD1-CD2 4.15Å; L288-L302 HydrophobicContact CD2-CD2 3.74Å; L288-L302 HydrophobicContact CG-CD2 4.05Å; L288-L604 HydrophobicContact CD1-CD2 3.56Å; L288-P607 HydrophobicContact CB-CG 4.09Å
289	S	84.2	Confident	88.4	Confident	19 Å²	19	48.1 Å²	48.1	13%	0.133	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.8	179.2	-69.5	0	0	0	0	114.2	D287 T610	D287-S289 VanDerWaalsContact OD1-CB 3.27Å; D287-S289 WeakPolarHBondContact OD1-CB 3.27Å; D287-S289 PolarHBondContact OD1-N 3.34Å; D287-S289 PolarHBondContact OD1-OG 2.76Å; D287-S289 VanDerWaalsContact OD1-OG 3.08Å; S289-T610 PolarHBondContact OG-OG1 2.95Å
290	Y	84.3	Confident	88.4	Confident	34 Å²	34	49 Å²	49	13%	0.133	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.8	180	-63.1	-71.1	0	0	0	114.8	I138 W155 L288 Y292 K609 H611 L613	I138-Y290 HydrophobicContact CD1-CD2 4.48Å; I138-Y290 HydrophobicContact CD1-CG 4.38Å; W155-Y290 HydrophobicContact CZ3-CD2 4.46Å; W155-Y290 HydrophobicContact CZ3-CE2 4.29Å; L288-Y290 PolarHBondContact O-N 3.05Å; Y290-Y292 WeakPolarHBondContact O-CD2 3.41Å; Y290-Y292 WeakPolarHBondContact O-CE2 3.36Å; Y290-K609 PolarHBondContact O-NZ 2.96Å; Y290-H611 HydrophobicContact CE1-CB 4.36Å; Y290-H611 VanDerWaalsContact CE1-O 3.29Å; Y290-H611 WeakPolarHBondContact CE1-O 3.4Å; Y290-H611 WeakPolarHBondContact OH-CB 3.27Å; Y290-L613 HydrophobicContact CD1-CD2 3.32Å; Y290-L613 HydrophobicContact CD1-CG 3.88Å; Y290-L613 HydrophobicContact CE1-CD2 3.63Å; Y290-L613 HydrophobicContact CE1-CG 3.91Å; Y290-L613 HydrophobicContact CG-CD2 4.04Å
291	F	89.7	Confident	88.6	Confident	10 Å²	10	48.7 Å²	48.7	4%	0.044	24%	0.239	C	C	.	.			trans	-56.1	143	-170.2	-176.1	-115.3	0	0	0	113.2	L137 I138 I140 L288 E293 L299 V606 K609	L137-F291 HydrophobicContact CD2-CD2 4.12Å; L137-F291 HydrophobicContact CD2-CE2 3.81Å; L137-F291 HydrophobicContact CG-CD2 3.89Å; L137-F291 HydrophobicContact CG-CE2 3.94Å; L137-F291 WeakPolarHBondContact O-CD2 3.42Å; I138-F291 CarbonylContact O-C 3.57Å; I138-F291 WeakPolarHBondContact O-CA 3.48Å; I140-F291 HydrophobicContact CD1-CE2 4.24Å; I140-F291 HydrophobicContact CD1-CZ 4.18Å; I140-F291 HydrophobicContact CG1-CE2 4.42Å; L288-F291 HydrophobicContact CB-CB 4.32Å; L288-F291 HydrophobicContact CD2-CB 3.81Å; L288-F291 HydrophobicContact CD2-CD1 4.42Å; L288-F291 HydrophobicContact CD2-CD2 3.97Å; L288-F291 HydrophobicContact CD2-CG 3.83Å; L288-F291 WeakPolarHBondContact O-CB 3.41Å; L288-F291 PolarHBondContact O-N 3.46Å; F291-E293 HydrophobicContact CD1-CG 4.48Å; F291-E293 HydrophobicContact CE1-CG 4.15Å; F291-L299 HydrophobicContact CE1-CD2 4.42Å; F291-L299 HydrophobicContact CZ-CB 4.26Å; F291-L299 HydrophobicContact CZ-CD2 4.18Å; F291-V606 HydrophobicContact CB-CG1 4.2Å; F291-V606 HydrophobicContact CD1-CG1 4.2Å; F291-V606 HydrophobicContact CD1-CG2 3.79Å; F291-V606 HydrophobicContact CE1-CG2 4.26Å; F291-K609 PolarHBondContact O-NZ 3.28Å
292	Y	89.6	Confident	88.8	Confident	123 Å²	123	45.1 Å²	45.1	48%	0.482	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-119	116.2	170	-76	-97.6	0	0	0	108.8	I138 Y290 K609	I138-Y292 PolarHBondContact O-N 3.36Å; Y290-Y292 WeakPolarHBondContact O-CD2 3.41Å; Y290-Y292 WeakPolarHBondContact O-CE2 3.36Å; Y292-K609 VanDerWaalsContact CE2-NZ 3.34Å
293	E	88.6	Confident	89.1	Confident	140 Å²	140	45.2 Å²	45.2	65%	0.654	23%	0.227	S	C	*	.			trans	-54.9	142.8	177.5	-65	175.5	-153.5	0	0	112.2	F291 V606	F291-E293 HydrophobicContact CD1-CG 4.48Å; F291-E293 HydrophobicContact CE1-CG 4.15Å; E293-V606 HydrophobicContact CG-CG2 4.18Å
294	S	89.7	Confident	89.6	Confident	11 Å²	11	38.3 Å²	38.3	8%	0.077	20%	0.195	C	C	.	.			trans	-85.1	145.8	174.6	178.6	0	0	0	0	111.4	E296 W297 K332	S294-E296 VanDerWaalsContact C-N 3.26Å; S294-E296 PolarHBondContact O-N 3.35Å; S294-E296 PolarHBondContact OG-N 3.36Å; S294-W297 PolarHBondContact OG-N 3.31Å; S294-K332 PolarHBondContact O-NZ 3.12Å
295	S	89.5	Confident	90	Very high	115 Å²	115	35 Å²	35	80%	0.804	18%	0.18	S	C	*	.	S	Bend	trans	-69.8	-22.1	174.1	48.8	0	0	0	0	113.4	K332	S295-K332 WeakPolarHBondContact O-CD 3.46Å
296	E	90.4	Very high	90.4	Very high	57 Å²	57	35.7 Å²	35.7	27%	0.266	18%	0.18	S	C	.	.	S	Bend	trans	-111.4	-26.6	-179.7	-178.3	163.3	-172	0	0	113.7	S294 R331 K332 Y336	S294-E296 VanDerWaalsContact C-N 3.26Å; S294-E296 PolarHBondContact O-N 3.35Å; S294-E296 PolarHBondContact OG-N 3.36Å; E296-R331 HydrophobicContact CG-CG 4.19Å; E296-R331 IonicContact OE1-CZ 2.86Å; E296-R331 IonicContact OE1-NH1 3.44Å; E296-R331 PolarHBondContact OE1-NH1 2.65Å; E296-K332 VanDerWaalsContact O-CB 3.27Å; E296-K332 WeakPolarHBondContact O-CB 3.43Å; E296-K332 WeakPolarHBondContact O-CG 3.47Å; E296-K332 PolarHBondContact O-N 2.95Å; E296-Y336 WeakPolarHBondContact OE1-CE2 3.48Å; E296-Y336 PolarHBondContact OE1-OH 2.91Å
297	W	93.1	Very high	90.6	Very high	6 Å²	6	36.1 Å²	36.1	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.8	-172.2	-64.7	96.6	0	0	0	112.5	V143 Q240 S294 L329 R330 R331	V143-W297 HydrophobicContact CB-CZ2 3.87Å; V143-W297 HydrophobicContact CG1-CZ2 3.97Å; V143-W297 HydrophobicContact CG2-CD2 4.24Å; V143-W297 HydrophobicContact CG2-CG 4.32Å; V143-W297 HydrophobicContact CG2-CZ2 4.18Å; Q240-W297 HydrophobicContact CB-CZ3 4.45Å; Q240-W297 HydrophobicContact CG-CH2 3.67Å; Q240-W297 HydrophobicContact CG-CZ3 3.79Å; S294-W297 PolarHBondContact OG-N 3.31Å; W297-L329 HydrophobicContact CD2-CB 4.44Å; W297-L329 HydrophobicContact CE3-CB 3.7Å; W297-L329 HydrophobicContact CZ3-CB 4.21Å; W297-R330 WeakPolarHBondContact CA-O 3.46Å; W297-R330 VanDerWaalsContact CE3-C 3.46Å; W297-R331 HydrophobicContact CE3-CB 4.27Å; W297-R331 HydrophobicContact CH2-CB 4.17Å; W297-R331 VanDerWaalsContact CH2-NH2 3.33Å; W297-R331 HydrophobicContact CZ3-CB 3.88Å
298	D	92.3	Very high	90.7	Very high	29 Å²	29	39.9 Å²	39.9	16%	0.155	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.6	161.2	-76.5	-27.4	0	0	0	109.5	L329 R330 K332 P603	D298-L329 CarbonylContact O-C 3.58Å; D298-L329 VanDerWaalsContact O-CA 3.3Å; D298-L329 WeakPolarHBondContact O-CA 3.39Å; D298-R330 HydrophobicContact CB-CB 4.28Å; D298-R330 PolarHBondContact N-O 3.37Å; D298-R330 PolarHBondContact O-N 3.39Å; D298-R330 IonicContact OD2-CZ 3.4Å; D298-R330 IonicContact OD2-NE 3.71Å; D298-R330 PolarHBondContact OD2-NE 3.09Å; D298-R330 VanDerWaalsContact OD2-NE 3.16Å; D298-R330 IonicContact OD2-NH2 2.69Å; D298-R330 PolarHBondContact OD2-NH2 2.98Å; D298-K332 WeakPolarHBondContact OD1-CE 3.42Å; D298-K332 IonicContact OD1-NZ 2.86Å; D298-K332 PolarHBondContact OD1-NZ 2.97Å; D298-P603 HydrophobicContact CB-CB 4.32Å
299	L	93.2	Very high	90.7	Very high	9 Å²	9	41 Å²	41	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.7	165.4	-179.6	65.4	0	0	0	108.7	L137 L288 F291 L302 I327 L329 P603 L604	L137-L299 HydrophobicContact CD2-CD2 4.21Å; L288-L299 HydrophobicContact CD1-CD2 4.18Å; L288-L299 HydrophobicContact CD2-CD2 3.91Å; F291-L299 HydrophobicContact CE1-CD2 4.42Å; F291-L299 HydrophobicContact CZ-CB 4.26Å; F291-L299 HydrophobicContact CZ-CD2 4.18Å; L299-L302 HydrophobicContact CD1-CB 4.33Å; L299-L302 HydrophobicContact CD2-CB 4.41Å; L299-L302 HydrophobicContact CD2-CD2 4.08Å; L299-I327 HydrophobicContact CD1-CG2 3.83Å; L299-L329 HydrophobicContact CD1-CD2 3.87Å; L299-P603 WeakPolarHBondContact O-CA 3.34Å; L299-L604 HydrophobicContact CD2-CD2 4.11Å; L299-L604 HydrophobicContact CG-CB 4.5Å; L299-L604 HydrophobicContact CG-CD2 4.39Å; L299-L604 PolarHBondContact O-N 3.26Å
300	L	90.7	Very high	91	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-41.5	-179.9	-64.8	-174	0	0	0	113.1	L239 T328 R330 R601	L239-L300 HydrophobicContact CD1-CD1 3.73Å; L239-L300 HydrophobicContact CG-CD1 4.39Å; L300-T328 HydrophobicContact CB-CG2 4.19Å; L300-T328 HydrophobicContact CD1-CG2 4.44Å; L300-T328 PolarHBondContact N-O 2.9Å; L300-R330 HydrophobicContact CD1-CB 3.86Å; L300-R330 HydrophobicContact CG-CB 4.11Å; L300-R601 HydrophobicContact CD2-CB 4.47Å
301	E	90.9	Very high	91.2	Very high	90 Å²	90	45.6 Å²	45.6	42%	0.421	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.2	-178	-165.9	-169.7	138.4	0	0	109.1	S303 T328	E301-S303 PolarHBondContact OE1-OG 3.22Å; E301-T328 PolarHBondContact O-N 3.36Å
302	L	92.6	Very high	91	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	74.7	-179.8	-170.6	55.2	0	0	0	110.5	L137 E284 G285 M286 L288 L299 Y326 I327 L604	L137-L302 HydrophobicContact CB-CD2 4.13Å; L137-L302 HydrophobicContact CD2-CD1 4.47Å; L137-L302 HydrophobicContact CD2-CD2 3.71Å; E284-L302 CarbonylContact C-O 3.51Å; E284-L302 WeakPolarHBondContact CA-O 3.18Å; G285-L302 PolarHBondContact N-O 3.43Å; M286-L302 HydrophobicContact CB-CD2 3.8Å; M286-L302 HydrophobicContact CB-CG 4.05Å; M286-L302 HydrophobicContact CG-CD1 4.46Å; M286-L302 HydrophobicContact CG-CD2 4.47Å; M286-L302 HydrophobicContact CG-CG 4.34Å; M286-L302 HydrophobicContact SD-CD1 3.69Å; M286-L302 HydrophobicContact SD-CD2 4.24Å; M286-L302 HydrophobicContact SD-CG 4.14Å; L288-L302 HydrophobicContact CD1-CD2 4.15Å; L288-L302 HydrophobicContact CD2-CD2 3.74Å; L288-L302 HydrophobicContact CG-CD2 4.05Å; L299-L302 HydrophobicContact CD1-CB 4.33Å; L299-L302 HydrophobicContact CD2-CB 4.41Å; L299-L302 HydrophobicContact CD2-CD2 4.08Å; L302-Y326 WeakPolarHBondContact CA-O 3.32Å; L302-I327 HydrophobicContact CD1-CB 4.17Å; L302-I327 HydrophobicContact CD1-CD1 4.16Å; L302-I327 HydrophobicContact CD1-CG1 3.63Å; L302-I327 HydrophobicContact CD1-CG2 4.15Å; L302-L604 HydrophobicContact CB-CD2 4.27Å
303	S	92.5	Very high	90.9	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	165	-175.6	46.6	0	0	0	0	112	L282 Q283 E301 Y326	L282-S303 WeakPolarHBondContact O-CA 3.37Å; L282-S303 WeakPolarHBondContact O-CB 3.43Å; Q283-S303 WeakPolarHBondContact O-CA 3.26Å; E301-S303 PolarHBondContact OE1-OG 3.22Å; S303-Y326 PolarHBondContact N-O 3.47Å; S303-Y326 VanDerWaalsContact N-O 3.16Å; S303-Y326 PolarHBondContact O-N 2.96Å
304	S	94.1	Very high	90.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.2	173.9	66.6	0	0	0	0	113.9	Q260 R281 L282 G285 T324	Q260-S304 PolarHBondContact NE2-O 3.47Å; Q260-S304 VanDerWaalsContact NE2-O 3.08Å; Q260-S304 PolarHBondContact NE2-OG 3.25Å; R281-S304 WeakPolarHBondContact CA-O 3.49Å; L282-S304 PolarHBondContact N-O 3.16Å; L282-S304 PolarHBondContact O-N 3.48Å; G285-S304 WeakPolarHBondContact CA-OG 3.23Å; S304-T324 VanDerWaalsContact CA-O 3.3Å; S304-T324 WeakPolarHBondContact CA-O 3.34Å
305	D	93.3	Very high	90.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	178	-72.1	-33.2	0	0	0	111.1	V279 W280 R281 I323 T324 Y326	V279-D305 HydrophobicContact CB-CB 4.21Å; V279-D305 HydrophobicContact CG2-CB 4.45Å; W280-D305 WeakPolarHBondContact O-CA 3.41Å; R281-D305 WeakPolarHBondContact CA-OD1 3.09Å; R281-D305 WeakPolarHBondContact CB-OD1 3.31Å; R281-D305 WeakPolarHBondContact CG-OD1 3.27Å; R281-D305 IonicContact CZ-OD1 3.77Å; R281-D305 IonicContact CZ-OD2 2.74Å; R281-D305 IonicContact NE-OD1 2.71Å; R281-D305 PolarHBondContact NE-OD1 3.47Å; R281-D305 IonicContact NE-OD2 2.68Å; R281-D305 PolarHBondContact NE-OD2 3.01Å; R281-D305 IonicContact NH2-OD1 3.15Å; R281-D305 IonicContact NH2-OD2 3.29Å; R281-D305 PolarHBondContact NH2-OD2 3Å; D305-I323 WeakPolarHBondContact O-CA 3.14Å; D305-T324 PolarHBondContact N-O 3.42Å; D305-T324 PolarHBondContact O-N 3.01Å; D305-Y326 HydrophobicContact CB-CE2 4.12Å; D305-Y326 WeakPolarHBondContact OD2-CE2 3.41Å
306	R	94.1	Very high	90.3	Very high	21 Å²	21	43.3 Å²	43.3	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.3	166.4	-180	-171.2	170.1	-79.9	8.6	109.2	D257 M258 Q260 W280 E308 I321 D322 I323	D257-R306 IonicContact OD1-CZ 3.16Å; D257-R306 IonicContact OD1-NE 2.67Å; D257-R306 IonicContact OD1-NH2 2.75Å; D257-R306 PolarHBondContact OD1-NH2 2.94Å; M258-R306 VanDerWaalsContact O-CD 3.26Å; M258-R306 WeakPolarHBondContact O-CD 3.46Å; M258-R306 PolarHBondContact O-NE 2.81Å; Q260-R306 HydrophobicContact CG-CB 4.49Å; W280-R306 HydrophobicContact CB-CB 4.25Å; W280-R306 PolarHBondContact N-O 3.34Å; W280-R306 PolarHBondContact O-N 3.4Å; R306-E308 IonicContact CZ-OE1 3.68Å; R306-E308 VanDerWaalsContact CZ-OE1 3.25Å; R306-E308 IonicContact NH1-OE1 3.29Å; R306-E308 PolarHBondContact NH1-OE1 3.43Å; R306-E308 IonicContact NH2-OE1 2.8Å; R306-E308 PolarHBondContact NH2-OE1 3.45Å; R306-I321 HydrophobicContact CG-CG2 4.01Å; R306-D322 WeakPolarHBondContact CA-O 3.3Å; R306-I323 HydrophobicContact CB-CG1 4.16Å; R306-I323 HydrophobicContact CG-CG1 4.2Å
307	H	92.5	Very high	90.1	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	153.9	177.2	-49.1	94.9	0	0	0	111.5	V279 V309 I321 D322	V279-H307 WeakPolarHBondContact CG1-CD2 3.27Å; H307-V309 HydrophobicContact CB-CG2 3.66Å; H307-I321 WeakPolarHBondContact O-CA 3.48Å; H307-D322 IonicContact CE1-OD2 3.32Å; H307-D322 IonicContact CG-OD2 2.85Å; H307-D322 PolarHBondContact N-O 3.43Å; H307-D322 IonicContact ND1-OD1 3.51Å; H307-D322 IonicContact ND1-OD2 2.68Å; H307-D322 PolarHBondContact ND1-OD2 3.34Å; H307-D322 PolarHBondContact O-N 3.21Å
308	E	91.3	Very high	89.9	Confident	112 Å²	112	50.1 Å²	50.1	52%	0.523	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	103.8	165.6	-78.5	163.5	-170.4	0	0	106.7	R306 Y319 I321	R306-E308 IonicContact CZ-OE1 3.68Å; R306-E308 VanDerWaalsContact CZ-OE1 3.25Å; R306-E308 IonicContact NH1-OE1 3.29Å; R306-E308 PolarHBondContact NH1-OE1 3.43Å; R306-E308 IonicContact NH2-OE1 2.8Å; R306-E308 PolarHBondContact NH2-OE1 3.45Å; E308-Y319 HydrophobicContact CB-CD2 4.32Å; E308-Y319 HydrophobicContact CG-CD2 4.22Å; E308-Y319 HydrophobicContact CG-CE2 4.42Å; E308-I321 HydrophobicContact CG-CG1 3.97Å
309	V	89.4	Confident	89.9	Confident	38 Å²	38	52 Å²	52	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.5	-168.2	-176	0	0	0	0	110.8	H307 Y311 Y319 Y320 D322	H307-V309 HydrophobicContact CB-CG2 3.66Å; V309-Y311 HydrophobicContact CB-CD2 4.48Å; V309-Y311 HydrophobicContact CB-CE2 3.82Å; V309-Y311 HydrophobicContact CG1-CD1 4.36Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE1 3.89Å; V309-Y311 HydrophobicContact CG1-CE2 3.67Å; V309-Y311 HydrophobicContact CG1-CG 4.5Å; V309-Y319 WeakPolarHBondContact O-CA 3.4Å; V309-Y320 PolarHBondContact N-O 3.13Å; V309-Y320 PolarHBondContact O-N 3.42Å; V309-D322 WeakPolarHBondContact CG2-OD1 3.4Å
310	L	90.1	Very high	89.8	Confident	77 Å²	77	53.2 Å²	53.2	40%	0.403	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.5	169.3	-159.5	85.8	0	0	0	109.6	P312 Q317	L310-P312 HydrophobicContact CD2-CB 4.25Å; L310-P312 HydrophobicContact CD2-CG 4.38Å; L310-P312 WeakPolarHBondContact O-CD 3.42Å; L310-Q317 WeakPolarHBondContact CD1-O 3.47Å
311	Y	87.8	Confident	90	Very high	71 Å²	71	52.7 Å²	52.7	28%	0.278	30%	0.302	S	S	.	.			trans	-112.6	69.7	175.2	-69.1	-77.7	0	0	0	111.5	K245 V309 G313 C314 C315 Y320	K245-Y311 WeakPolarHBondContact CE-OH 3.37Å; V309-Y311 HydrophobicContact CB-CD2 4.48Å; V309-Y311 HydrophobicContact CB-CE2 3.82Å; V309-Y311 HydrophobicContact CG1-CD1 4.36Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE1 3.89Å; V309-Y311 HydrophobicContact CG1-CE2 3.67Å; V309-Y311 HydrophobicContact CG1-CG 4.5Å; Y311-G313 PolarHBondContact O-N 3.07Å; Y311-G313 VanDerWaalsContact O-N 3.08Å; Y311-C314 VanDerWaalsContact CB-SG 3.57Å; Y311-C314 PolarHBondContact O-N 3.34Å; Y311-C314 VanDerWaalsContact O-N 3.15Å; Y311-C314 PolarHBondContact O-SG 2.98Å; Y311-C314 VanDerWaalsContact O-SG 3.42Å; Y311-C315 PolarHBondContact O-N 3.03Å; Y311-Y320 HydrophobicContact CD2-CD2 4.14Å; Y311-Y320 HydrophobicContact CD2-CG 4.34Å
312	P	86.3	Confident	90.1	Very high	87 Å²	87	48.4 Å²	48.4	57%	0.565	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.4	-169	27.3	-36.6	0	0	0	114.3	L310	L310-P312 HydrophobicContact CD2-CB 4.25Å; L310-P312 HydrophobicContact CD2-CG 4.38Å; L310-P312 WeakPolarHBondContact O-CD 3.42Å
313	G	86.9	Confident	90.3	Very high	87 Å²	87	48.4 Å²	48.4	90%	0.897	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.1	177.7	0	0	0	0	0	115.3	Y311	Y311-G313 PolarHBondContact O-N 3.07Å; Y311-G313 VanDerWaalsContact O-N 3.08Å
314	C	87	Confident	90.4	Very high	97 Å²	97	48.1 Å²	48.1	66%	0.655	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-37.8	177.1	64.6	0	0	0	0	113.1	Y311	Y311-C314 VanDerWaalsContact CB-SG 3.57Å; Y311-C314 PolarHBondContact O-N 3.34Å; Y311-C314 VanDerWaalsContact O-N 3.15Å; Y311-C314 PolarHBondContact O-SG 2.98Å; Y311-C314 VanDerWaalsContact O-SG 3.42Å
315	C	83.6	Confident	90.5	Very high	39 Å²	39	48.2 Å²	48.2	26%	0.264	28%	0.28	S	S	.	.	S	Bend	trans	-129.9	20.5	-148.4	-53.9	0	0	0	0	112.1	Y311 Q317 D318 Y320	Y311-C315 PolarHBondContact O-N 3.03Å; C315-Q317 PolarHBondContact O-N 2.92Å; C315-D318 PolarHBondContact O-N 2.84Å; C315-Y320 HydrophobicContact CB-CE2 3.91Å
316	G	84.3	Confident	90.6	Very high	41 Å²	41	51.9 Å²	51.9	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-116.4	170.4	0	0	0	0	0	113.9
317	Q	85.9	Confident	90.6	Very high	148 Å²	148	50.9 Å²	50.9	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	10.8	178.6	-65.1	-63.3	-78.5	0	0	112.5	L310 C315	L310-Q317 WeakPolarHBondContact CD1-O 3.47Å; C315-Q317 PolarHBondContact O-N 2.92Å
318	D	89.5	Confident	90.7	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	29%	0.29	S	S	.	.			trans	-79.2	130.8	176.6	-72.2	0.7	0	0	0	110.2	N252 C315 Y320	N252-D318 HydrophobicContact CB-CB 4.04Å; N252-D318 PolarHBondContact ND2-OD2 3.4Å; C315-D318 PolarHBondContact O-N 2.84Å; D318-Y320 HydrophobicContact CB-CE2 4.32Å
319	Y	91.2	Very high	90.8	Very high	69 Å²	69	45.3 Å²	45.3	27%	0.271	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	145.2	168.6	69.3	-85.6	0	0	0	110	G253 F254 E308 V309 I321	G253-Y319 PolarHBondContact N-O 3.45Å; G253-Y319 PolarHBondContact O-OH 2.97Å; F254-Y319 HydrophobicContact CD1-CE1 4.02Å; F254-Y319 HydrophobicContact CD2-CE1 4.43Å; F254-Y319 HydrophobicContact CE1-CD1 4.49Å; F254-Y319 AromaticContact CE1-CE1 3.62Å; F254-Y319 HydrophobicContact CE1-CE1 3.62Å; F254-Y319 HydrophobicContact CE2-CD1 4.28Å; F254-Y319 HydrophobicContact CE2-CE1 4.07Å; F254-Y319 HydrophobicContact CG-CE1 4.42Å; F254-Y319 HydrophobicContact CZ-CD1 4.08Å; F254-Y319 AromaticContact CZ-CE1 3.65Å; F254-Y319 HydrophobicContact CZ-CE1 3.65Å; E308-Y319 HydrophobicContact CB-CD2 4.32Å; E308-Y319 HydrophobicContact CG-CD2 4.22Å; E308-Y319 HydrophobicContact CG-CE2 4.42Å; V309-Y319 WeakPolarHBondContact O-CA 3.4Å; Y319-I321 HydrophobicContact CD2-CG1 4.27Å; Y319-I321 HydrophobicContact CE2-CD1 4.15Å; Y319-I321 HydrophobicContact CE2-CG1 4.13Å
320	Y	93	Very high	91	Very high	35 Å²	35	45.4 Å²	45.4	14%	0.137	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.7	171.5	-74.6	-108.5	0	0	0	108.4	N252 V309 Y311 C315 D318	N252-Y320 HydrophobicContact CB-CE1 4.5Å; N252-Y320 HydrophobicContact CB-CE2 4.2Å; V309-Y320 PolarHBondContact N-O 3.13Å; V309-Y320 PolarHBondContact O-N 3.42Å; Y311-Y320 HydrophobicContact CD2-CD2 4.14Å; Y311-Y320 HydrophobicContact CD2-CG 4.34Å; C315-Y320 HydrophobicContact CB-CE2 3.91Å; D318-Y320 HydrophobicContact CB-CE2 4.32Å
321	I	93.4	Very high	91.1	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.4	175.7	-65.9	160.5	0	0	0	108	D257 M258 R306 H307 E308 Y319	D257-I321 HydrophobicContact CB-CD1 4.25Å; D257-I321 WeakPolarHBondContact OD1-CD1 3.31Å; M258-I321 HydrophobicContact CB-CG2 4Å; M258-I321 HydrophobicContact CE-CG2 4.42Å; M258-I321 VanDerWaalsContact CE-O 3.29Å; M258-I321 WeakPolarHBondContact CE-O 3.44Å; R306-I321 HydrophobicContact CG-CG2 4.01Å; H307-I321 WeakPolarHBondContact O-CA 3.48Å; E308-I321 HydrophobicContact CG-CG1 3.97Å; Y319-I321 HydrophobicContact CD2-CG1 4.27Å; Y319-I321 HydrophobicContact CE2-CD1 4.15Å; Y319-I321 HydrophobicContact CE2-CG1 4.13Å
322	D	94.5	Very high	91.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.8	170.1	71.7	-104.3	0	0	0	111.6	K245 F246 R306 H307 V309 T324	K245-D322 VanDerWaalsContact CE-CG 3.46Å; K245-D322 WeakPolarHBondContact CE-OD1 3.36Å; K245-D322 HydrophobicContact CG-CB 4.19Å; K245-D322 IonicContact NZ-OD1 2.64Å; K245-D322 PolarHBondContact NZ-OD1 3.2Å; K245-D322 IonicContact NZ-OD2 3.99Å; K245-D322 PolarHBondContact NZ-OD2 3.08Å; F246-D322 WeakPolarHBondContact O-CA 3.27Å; F246-D322 WeakPolarHBondContact O-CB 3.48Å; R306-D322 WeakPolarHBondContact CA-O 3.3Å; H307-D322 IonicContact CE1-OD2 3.32Å; H307-D322 IonicContact CG-OD2 2.85Å; H307-D322 PolarHBondContact N-O 3.43Å; H307-D322 IonicContact ND1-OD1 3.51Å; H307-D322 IonicContact ND1-OD2 2.68Å; H307-D322 PolarHBondContact ND1-OD2 3.34Å; H307-D322 PolarHBondContact O-N 3.21Å; V309-D322 WeakPolarHBondContact CG2-OD1 3.4Å; D322-T324 PolarHBondContact OD2-OG1 3.37Å
323	I	95	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.9	171.3	-69.3	167.7	0	0	0	106.6	F133 F246 M258 Q260 D305 R306 F325	F133-I323 HydrophobicContact CB-CD1 4.01Å; F133-I323 HydrophobicContact CD1-CB 4.08Å; F133-I323 HydrophobicContact CD1-CD1 3.79Å; F133-I323 HydrophobicContact CD1-CG2 4.11Å; F133-I323 HydrophobicContact CE1-CB 4.37Å; F133-I323 HydrophobicContact CE1-CG2 4.32Å; F133-I323 HydrophobicContact CG-CD1 4.38Å; F246-I323 PolarHBondContact N-O 3.45Å; F246-I323 PolarHBondContact O-N 3.48Å; M258-I323 HydrophobicContact CB-CD1 3.94Å; Q260-I323 HydrophobicContact CG-CD1 3.92Å; Q260-I323 HydrophobicContact CG-CG1 4.13Å; Q260-I323 HydrophobicContact CG-CG2 4.11Å; D305-I323 WeakPolarHBondContact O-CA 3.14Å; R306-I323 HydrophobicContact CB-CG1 4.16Å; R306-I323 HydrophobicContact CG-CG1 4.2Å; I323-F325 HydrophobicContact CG2-CE1 4.13Å; I323-F325 HydrophobicContact CG2-CE2 4.4Å; I323-F325 HydrophobicContact CG2-CZ 3.99Å
324	T	95.5	Very high	91.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.8	178.6	-61.1	0	0	0	0	109.2	H243 M244 K245 S304 D305 D322 Y326	H243-T324 HydrophobicContact CB-CG2 3.89Å; M244-T324 WeakPolarHBondContact O-CA 3.46Å; K245-T324 HydrophobicContact CB-CG2 4.47Å; K245-T324 WeakPolarHBondContact CG-OG1 3.4Å; S304-T324 VanDerWaalsContact CA-O 3.3Å; S304-T324 WeakPolarHBondContact CA-O 3.34Å; D305-T324 PolarHBondContact N-O 3.42Å; D305-T324 PolarHBondContact O-N 3.01Å; D322-T324 PolarHBondContact OD2-OG1 3.37Å; T324-Y326 HydrophobicContact CG2-CD2 4.45Å; T324-Y326 HydrophobicContact CG2-CE1 4.02Å; T324-Y326 HydrophobicContact CG2-CE2 3.94Å
325	F	95.5	Very high	91.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.4	170.4	-54.2	-76.9	0	0	0	109.4	F133 A135 H243 M244 F246 G285 M286 I323	F133-F325 HydrophobicContact CD1-CZ 4.19Å; F133-F325 AromaticContact CE1-CE2 3.64Å; F133-F325 HydrophobicContact CE1-CE2 3.64Å; F133-F325 AromaticContact CE1-CZ 3.64Å; F133-F325 HydrophobicContact CE1-CZ 3.64Å; F133-F325 HydrophobicContact CZ-CE2 4.21Å; F133-F325 HydrophobicContact CZ-CZ 4.4Å; A135-F325 HydrophobicContact CB-CE1 4.43Å; A135-F325 HydrophobicContact CB-CE2 4.14Å; A135-F325 HydrophobicContact CB-CZ 3.86Å; H243-F325 CarbonylContact C-O 3.52Å; H243-F325 VanDerWaalsContact CA-O 3.23Å; H243-F325 WeakPolarHBondContact CA-O 3.43Å; M244-F325 PolarHBondContact N-O 2.86Å; M244-F325 PolarHBondContact O-N 2.91Å; F246-F325 AromaticContact CD2-CD2 3.67Å; F246-F325 HydrophobicContact CD2-CD2 3.67Å; F246-F325 AromaticContact CD2-CE2 3.53Å; F246-F325 HydrophobicContact CD2-CE2 3.53Å; F246-F325 AromaticContact CE2-CD2 3.83Å; F246-F325 HydrophobicContact CE2-CD2 3.83Å; F246-F325 AromaticContact CE2-CE2 3.85Å; F246-F325 HydrophobicContact CE2-CE2 3.85Å; F246-F325 HydrophobicContact CG-CE2 4.46Å; G285-F325 VanDerWaalsContact O-CE1 3.26Å; G285-F325 WeakPolarHBondContact O-CE1 3.22Å; M286-F325 HydrophobicContact CG-CB 4.46Å; M286-F325 HydrophobicContact CG-CD1 3.29Å; M286-F325 HydrophobicContact CG-CE1 3.61Å; M286-F325 HydrophobicContact CG-CG 3.95Å; M286-F325 HydrophobicContact CG-CZ 4.45Å; M286-F325 HydrophobicContact SD-CB 3.83Å; M286-F325 HydrophobicContact SD-CD1 3.75Å; M286-F325 HydrophobicContact SD-CD2 4.41Å; M286-F325 HydrophobicContact SD-CE1 4.44Å; M286-F325 HydrophobicContact SD-CG 3.75Å; I323-F325 HydrophobicContact CG2-CE1 4.13Å; I323-F325 HydrophobicContact CG2-CE2 4.4Å; I323-F325 HydrophobicContact CG2-CZ 3.99Å
326	Y	95.3	Very high	92.1	Very high	78 Å²	78	41.5 Å²	41.5	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.6	176	-67.6	-77.7	0	0	0	109.9	H243 L302 S303 D305 T324	H243-Y326 HydrophobicContact CB-CD1 3.72Å; H243-Y326 HydrophobicContact CB-CE1 3.77Å; L302-Y326 WeakPolarHBondContact CA-O 3.32Å; S303-Y326 PolarHBondContact N-O 3.47Å; S303-Y326 VanDerWaalsContact N-O 3.16Å; S303-Y326 PolarHBondContact O-N 2.96Å; D305-Y326 HydrophobicContact CB-CE2 4.12Å; D305-Y326 WeakPolarHBondContact OD2-CE2 3.41Å; T324-Y326 HydrophobicContact CG2-CD2 4.45Å; T324-Y326 HydrophobicContact CG2-CE1 4.02Å; T324-Y326 HydrophobicContact CG2-CE2 3.94Å
327	I	95.1	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	107.4	-175.2	-45.5	-167	0	0	0	108	L150 T152 C242 M244 L299 L302 L329	L150-I327 HydrophobicContact CD2-CD1 4.19Å; T152-I327 HydrophobicContact CG2-CD1 4.44Å; C242-I327 PolarHBondContact N-O 3.47Å; C242-I327 PolarHBondContact O-N 2.99Å; M244-I327 HydrophobicContact CG-CD1 4.47Å; M244-I327 HydrophobicContact SD-CD1 3.91Å; L299-I327 HydrophobicContact CD1-CG2 3.83Å; L302-I327 HydrophobicContact CD1-CB 4.17Å; L302-I327 HydrophobicContact CD1-CD1 4.16Å; L302-I327 HydrophobicContact CD1-CG1 3.63Å; L302-I327 HydrophobicContact CD1-CG2 4.15Å; I327-L329 HydrophobicContact CG2-CD2 3.67Å; I327-L329 HydrophobicContact CG2-CG 4Å
328	T	94.2	Very high	92.6	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.2	176.9	-58.1	0	0	0	0	110.2	L239 Q240 K241 L300 E301	L239-T328 HydrophobicContact CD1-CG2 4.22Å; L239-T328 HydrophobicContact CD2-CG2 3.67Å; L239-T328 HydrophobicContact CG-CG2 3.97Å; Q240-T328 WeakPolarHBondContact O-CA 3.44Å; K241-T328 HydrophobicContact CG-CG2 4.41Å; L300-T328 HydrophobicContact CB-CG2 4.19Å; L300-T328 HydrophobicContact CD1-CG2 4.44Å; L300-T328 PolarHBondContact N-O 2.9Å; E301-T328 PolarHBondContact O-N 3.36Å
329	L	93.6	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.6	-175.5	-56.4	-178.4	0	0	0	111.5	I140 V143 L150 L239 Q240 W297 D298 L299 I327	I140-L329 HydrophobicContact CD1-CD1 4.38Å; I140-L329 HydrophobicContact CD1-CD2 3.47Å; I140-L329 VanDerWaalsContact CD1-CD2 3.47Å; I140-L329 HydrophobicContact CG2-CD1 4.49Å; V143-L329 HydrophobicContact CG2-CD1 4.06Å; L150-L329 HydrophobicContact CD1-CD1 4.24Å; L239-L329 CarbonylContact C-O 3.54Å; L239-L329 VanDerWaalsContact CA-O 3.29Å; L239-L329 WeakPolarHBondContact CA-O 3.3Å; Q240-L329 PolarHBondContact N-O 2.79Å; Q240-L329 PolarHBondContact O-N 2.85Å; W297-L329 HydrophobicContact CD2-CB 4.44Å; W297-L329 HydrophobicContact CE3-CB 3.7Å; W297-L329 HydrophobicContact CZ3-CB 4.21Å; D298-L329 CarbonylContact O-C 3.58Å; D298-L329 VanDerWaalsContact O-CA 3.3Å; D298-L329 WeakPolarHBondContact O-CA 3.39Å; L299-L329 HydrophobicContact CD1-CD2 3.87Å; I327-L329 HydrophobicContact CG2-CD2 3.67Å; I327-L329 HydrophobicContact CG2-CG 4Å
330	R	92.7	Very high	92.6	Very high	41 Å²	41	35.6 Å²	35.6	16%	0.155	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.9	172	172.3	-178.2	71.1	-161.3	0.8	111.1	W297 D298 L300 D599 R601	W297-R330 WeakPolarHBondContact CA-O 3.46Å; W297-R330 VanDerWaalsContact CE3-C 3.46Å; D298-R330 HydrophobicContact CB-CB 4.28Å; D298-R330 PolarHBondContact N-O 3.37Å; D298-R330 PolarHBondContact O-N 3.39Å; D298-R330 IonicContact OD2-CZ 3.4Å; D298-R330 IonicContact OD2-NE 3.71Å; D298-R330 PolarHBondContact OD2-NE 3.09Å; D298-R330 VanDerWaalsContact OD2-NE 3.16Å; D298-R330 IonicContact OD2-NH2 2.69Å; D298-R330 PolarHBondContact OD2-NH2 2.98Å; L300-R330 HydrophobicContact CD1-CB 3.86Å; L300-R330 HydrophobicContact CG-CB 4.11Å; R330-D599 WeakPolarHBondContact CD-OD2 3.44Å; R330-D599 IonicContact CZ-OD2 3.59Å; R330-D599 IonicContact NE-OD2 2.91Å; R330-D599 IonicContact NH1-OD1 2.76Å; R330-D599 IonicContact NH1-OD2 3.58Å; R330-D599 PolarHBondContact NH1-OD2 2.93Å; R330-R601 PolarHBondContact NH1-O 2.94Å; R330-R601 PolarHBondContact NH2-O 3.46Å
331	R	92.3	Very high	92.4	Very high	9 Å²	9	34.5 Å²	34.5	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.1	179.8	-165.5	-175.1	-56.6	-86.1	-4.6	112.7	E145 D238 E296 W297 A333	E145-R331 IonicContact OE1-CZ 3.38Å; E145-R331 IonicContact OE1-NH1 3.33Å; E145-R331 PolarHBondContact OE1-NH1 2.9Å; E145-R331 IonicContact OE1-NH2 2.75Å; E145-R331 PolarHBondContact OE1-NH2 3.22Å; D238-R331 PolarHBondContact O-N 2.94Å; D238-R331 IonicContact OD1-CZ 2.75Å; D238-R331 IonicContact OD1-NE 3.16Å; D238-R331 PolarHBondContact OD1-NE 3.2Å; D238-R331 IonicContact OD1-NH2 3.94Å; D238-R331 IonicContact OD2-CZ 3.86Å; D238-R331 IonicContact OD2-NE 3.69Å; D238-R331 PolarHBondContact OD2-NE 3.43Å; D238-R331 IonicContact OD2-NH2 3.85Å; D238-R331 PolarHBondContact OD2-NH2 2.83Å; E296-R331 HydrophobicContact CG-CG 4.19Å; E296-R331 IonicContact OE1-CZ 2.86Å; E296-R331 IonicContact OE1-NH1 3.44Å; E296-R331 PolarHBondContact OE1-NH1 2.65Å; W297-R331 HydrophobicContact CE3-CB 4.27Å; W297-R331 HydrophobicContact CH2-CB 4.17Å; W297-R331 VanDerWaalsContact CH2-NH2 3.33Å; W297-R331 HydrophobicContact CZ3-CB 3.88Å; R331-A333 PolarHBondContact O-N 3.44Å
332	K	91.4	Very high	92.3	Very high	66 Å²	66	37.2 Å²	37.2	29%	0.287	19%	0.187	S	C	.	.			trans	-77.4	72.9	169.5	-67	173.3	179.5	174.8	0	109.8	S294 S295 E296 D298 L334	S294-K332 PolarHBondContact O-NZ 3.12Å; S295-K332 WeakPolarHBondContact O-CD 3.46Å; E296-K332 VanDerWaalsContact O-CB 3.27Å; E296-K332 WeakPolarHBondContact O-CB 3.43Å; E296-K332 WeakPolarHBondContact O-CG 3.47Å; E296-K332 PolarHBondContact O-N 2.95Å; D298-K332 WeakPolarHBondContact OD1-CE 3.42Å; D298-K332 IonicContact OD1-NZ 2.86Å; D298-K332 PolarHBondContact OD1-NZ 2.97Å; K332-L334 PolarHBondContact O-N 3.17Å
333	A	89.3	Confident	92.1	Very high	12 Å²	12	38.7 Å²	38.7	10%	0.099	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-16.2	-166.7	0	0	0	0	0	117.2	P236 Y237 R331 F335 Y336 T337	P236-A333 HydrophobicContact CB-CB 4.5Å; P236-A333 WeakPolarHBondContact O-CB 3.37Å; Y237-A333 HydrophobicContact CD1-CB 3.39Å; Y237-A333 HydrophobicContact CE1-CB 3.44Å; Y237-A333 VanDerWaalsContact CE1-CB 3.44Å; Y237-A333 HydrophobicContact CG-CB 4.45Å; R331-A333 PolarHBondContact O-N 3.44Å; A333-F335 VanDerWaalsContact C-N 3.27Å; A333-F335 PolarHBondContact O-N 3.35Å; A333-F335 VanDerWaalsContact O-N 3.09Å; A333-Y336 PolarHBondContact O-N 2.98Å; A333-T337 PolarHBondContact O-N 3.46Å; A333-T337 PolarHBondContact O-OG1 3.18Å
334	L	89.6	Confident	91.9	Very high	130 Å²	130	38.7 Å²	38.7	68%	0.681	20%	0.197	S	C	*	.	H	α-helix	trans	-47.1	-43.5	-172.1	-179.6	63.5	0	0	0	114	K332 Y336 T337 V338	K332-L334 PolarHBondContact O-N 3.17Å; L334-Y336 PolarHBondContact O-N 3.3Å; L334-T337 PolarHBondContact O-N 3.19Å; L334-V338 HydrophobicContact CD1-CG2 4.1Å; L334-V338 WeakPolarHBondContact O-CG2 3.28Å; L334-V338 PolarHBondContact O-N 2.95Å
335	F	92.2	Very high	91.5	Very high	127 Å²	127	39.9 Å²	39.9	56%	0.557	20%	0.204	S	C	*	.	H	α-helix	trans	-60	-45.9	178.9	176.2	-100.2	0	0	0	112.1	A333 N339	A333-F335 VanDerWaalsContact C-N 3.27Å; A333-F335 PolarHBondContact O-N 3.35Å; A333-F335 VanDerWaalsContact O-N 3.09Å; F335-N339 WeakPolarHBondContact CD2-ND2 3.35Å; F335-N339 WeakPolarHBondContact CE2-ND2 3.47Å; F335-N339 WeakPolarHBondContact O-CB 3.45Å; F335-N339 PolarHBondContact O-N 3.41Å; F335-N339 PolarHBondContact O-ND2 3.33Å
336	Y	90.8	Very high	91.3	Very high	31 Å²	31	43.9 Å²	43.9	12%	0.122	23%	0.225	C	C	.	.	H	α-helix	trans	-75.1	-34.8	178.3	-60.5	-82.9	0	0	0	111.9	F235 P236 E296 A333 L334 V338 L340 V341 I385	F235-Y336 AromaticContact CZ-CD1 3.92Å; F235-Y336 HydrophobicContact CZ-CD1 3.92Å; F235-Y336 AromaticContact CZ-CE1 3.95Å; F235-Y336 HydrophobicContact CZ-CE1 3.95Å; F235-Y336 HydrophobicContact CZ-CG 4.36Å; P236-Y336 HydrophobicContact CB-CD2 4.17Å; P236-Y336 HydrophobicContact CB-CG 3.94Å; E296-Y336 WeakPolarHBondContact OE1-CE2 3.48Å; E296-Y336 PolarHBondContact OE1-OH 2.91Å; A333-Y336 PolarHBondContact O-N 2.98Å; L334-Y336 PolarHBondContact O-N 3.3Å; Y336-V338 VanDerWaalsContact C-N 3.34Å; Y336-V338 PolarHBondContact O-N 3.16Å; Y336-L340 WeakPolarHBondContact O-CA 3.47Å; Y336-L340 VanDerWaalsContact O-CB 3.26Å; Y336-L340 WeakPolarHBondContact O-CB 3.17Å; Y336-L340 PolarHBondContact O-N 3.43Å; Y336-V341 PolarHBondContact O-N 3.05Å; Y336-I385 HydrophobicContact CE1-CD1 4.48Å; Y336-I385 HydrophobicContact CE1-CG2 4.42Å
337	T	89.7	Confident	91.2	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	22%	0.215	C	C	.	.	I	π-helix	trans	-57.8	-47.1	173.6	-54.8	0	0	0	0	111.1	Y237 A333 L334 V341 V342	Y237-T337 WeakPolarHBondContact CE1-OG1 3.36Å; Y237-T337 WeakPolarHBondContact OH-CG2 3.47Å; Y237-T337 PolarHBondContact OH-OG1 3.17Å; A333-T337 PolarHBondContact O-N 3.46Å; A333-T337 PolarHBondContact O-OG1 3.18Å; L334-T337 PolarHBondContact O-N 3.19Å; T337-V341 WeakPolarHBondContact O-CB 3.33Å; T337-V341 PolarHBondContact O-N 3.45Å; T337-V342 WeakPolarHBondContact O-CG2 3.35Å; T337-V342 PolarHBondContact O-N 3.34Å
338	V	91.8	Very high	90.8	Very high	83 Å²	83	41.2 Å²	41.2	50%	0.503	22%	0.216	S	C	.	.	I	π-helix	trans	-75	-43.6	-178.5	175.7	0	0	0	0	112.6	L334 Y336 P343	L334-V338 HydrophobicContact CD1-CG2 4.1Å; L334-V338 WeakPolarHBondContact O-CG2 3.28Å; L334-V338 PolarHBondContact O-N 2.95Å; Y336-V338 VanDerWaalsContact C-N 3.34Å; Y336-V338 PolarHBondContact O-N 3.16Å; V338-P343 WeakPolarHBondContact O-CD 3.31Å
339	N	90.9	Very high	90.6	Very high	82 Å²	82	44.8 Å²	44.8	44%	0.439	23%	0.234	S	C	.	.	I	π-helix	trans	-93.1	-18.1	-171.1	-64.1	-74.3	0	0	0	114.9	F335	F335-N339 WeakPolarHBondContact CD2-ND2 3.35Å; F335-N339 WeakPolarHBondContact CE2-ND2 3.47Å; F335-N339 WeakPolarHBondContact O-CB 3.45Å; F335-N339 PolarHBondContact O-N 3.41Å; F335-N339 PolarHBondContact O-ND2 3.33Å
340	L	89.6	Confident	90.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.258	C	S	.	.	I	π-helix	trans	-117.7	-53.7	-179.8	-174.8	78.2	0	0	0	111.8	F235 Y336 C344 F381 F382 M396	F235-L340 HydrophobicContact CE1-CD2 4.48Å; Y336-L340 WeakPolarHBondContact O-CA 3.47Å; Y336-L340 VanDerWaalsContact O-CB 3.26Å; Y336-L340 WeakPolarHBondContact O-CB 3.17Å; Y336-L340 PolarHBondContact O-N 3.43Å; L340-C344 WeakPolarHBondContact O-CB 3.37Å; L340-C344 PolarHBondContact O-N 3.46Å; L340-C344 PolarHBondContact O-SG 3.17Å; L340-F381 HydrophobicContact CD1-CD1 3.92Å; L340-F381 HydrophobicContact CD1-CE1 4.1Å; L340-F382 HydrophobicContact CD1-CB 4.46Å; L340-F382 HydrophobicContact CD2-CD2 3.82Å; L340-F382 HydrophobicContact CD2-CE2 4.37Å; L340-M396 HydrophobicContact CD2-CE 4.17Å; L340-M396 HydrophobicContact CD2-CG 4.19Å; L340-M396 HydrophobicContact CG-CE 4.02Å
341	V	88.9	Confident	90.4	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.073	25%	0.251	C	S	.	.	I	π-helix	trans	-69.3	-50.6	-172.4	-177.1	0	0	0	0	111.7	P236 Y336 T337 C344 T345 M396 F590	P236-V341 HydrophobicContact CG-CG2 4.48Å; Y336-V341 PolarHBondContact O-N 3.05Å; T337-V341 WeakPolarHBondContact O-CB 3.33Å; T337-V341 PolarHBondContact O-N 3.45Å; V341-C344 PolarHBondContact O-N 2.93Å; V341-T345 HydrophobicContact CG1-CG2 4.33Å; V341-T345 PolarHBondContact O-N 3.02Å; V341-T345 PolarHBondContact O-OG1 2.76Å; V341-M396 HydrophobicContact CG2-CE 4.43Å; V341-F590 HydrophobicContact CG1-CE1 3.72Å; V341-F590 HydrophobicContact CG1-CZ 4.1Å
342	V	90	Very high	90.2	Very high	66 Å²	66	49.8 Å²	49.8	40%	0.4	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-45.8	-178.2	168.7	0	0	0	0	113.2	T337 C344 T345 L346	T337-V342 WeakPolarHBondContact O-CG2 3.35Å; T337-V342 PolarHBondContact O-N 3.34Å; V342-C344 VanDerWaalsContact C-N 3.3Å; V342-C344 PolarHBondContact O-N 3.4Å; V342-T345 PolarHBondContact O-N 2.98Å; V342-T345 PolarHBondContact O-OG1 2.76Å; V342-T345 VanDerWaalsContact O-OG1 3.09Å; V342-L346 HydrophobicContact CG1-CD1 3.89Å; V342-L346 HydrophobicContact CG1-CG 4.42Å; V342-L346 WeakPolarHBondContact O-CB 3.38Å; V342-L346 VanDerWaalsContact O-CG 3.27Å; V342-L346 WeakPolarHBondContact O-CG 3.1Å; V342-L346 PolarHBondContact O-N 2.96Å
343	P	91.7	Very high	90.2	Very high	32 Å²	32	51.7 Å²	51.7	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-38.3	173.6	-28.4	37.3	0	0	0	113.4	V338 L346 I347 F378	V338-P343 WeakPolarHBondContact O-CD 3.31Å; P343-L346 PolarHBondContact O-N 3.3Å; P343-I347 WeakPolarHBondContact O-CB 3.16Å; P343-I347 VanDerWaalsContact O-CG1 3.27Å; P343-I347 WeakPolarHBondContact O-CG1 3.33Å; P343-I347 PolarHBondContact O-N 3.44Å; P343-F378 HydrophobicContact CB-CE1 3.8Å; P343-F378 HydrophobicContact CB-CE2 4.27Å; P343-F378 HydrophobicContact CB-CZ 3.59Å; P343-F378 HydrophobicContact CG-CE1 4.35Å; P343-F378 HydrophobicContact CG-CZ 4.38Å
344	C	89.5	Confident	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-39.3	-179.4	-65.3	0	0	0	0	112.7	L340 V341 V342 I347 A348 M396 Y399 L400	L340-C344 WeakPolarHBondContact O-CB 3.37Å; L340-C344 PolarHBondContact O-N 3.46Å; L340-C344 PolarHBondContact O-SG 3.17Å; V341-C344 PolarHBondContact O-N 2.93Å; V342-C344 VanDerWaalsContact C-N 3.3Å; V342-C344 PolarHBondContact O-N 3.4Å; C344-I347 PolarHBondContact O-N 3.06Å; C344-A348 PolarHBondContact O-N 2.9Å; C344-M396 HydrophobicContact CB-CE 3.92Å; C344-Y399 HydrophobicContact CB-CE1 4.42Å; C344-L400 HydrophobicContact CB-CD2 4.16Å
345	T	88.6	Confident	90.3	Very high	27 Å²	27	45.4 Å²	45.4	17%	0.166	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-35.9	174.8	58.3	0	0	0	0	111.9	V341 V342 A348 I349 Y399 T587	V341-T345 HydrophobicContact CG1-CG2 4.33Å; V341-T345 PolarHBondContact O-N 3.02Å; V341-T345 PolarHBondContact O-OG1 2.76Å; V342-T345 PolarHBondContact O-N 2.98Å; V342-T345 PolarHBondContact O-OG1 2.76Å; V342-T345 VanDerWaalsContact O-OG1 3.09Å; T345-A348 WeakPolarHBondContact O-CB 3.39Å; T345-A348 PolarHBondContact O-N 3.47Å; T345-I349 WeakPolarHBondContact O-CG1 3.27Å; T345-I349 PolarHBondContact O-N 3.47Å; T345-Y399 HydrophobicContact CG2-CE1 4.35Å; T345-T587 HydrophobicContact CG2-CG2 4.18Å
346	L	91.4	Very high	90.2	Very high	87 Å²	87	47.9 Å²	47.9	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-45	171.4	-71.7	170.8	0	0	0	111.7	V342 P343 A348 I349 W350	V342-L346 HydrophobicContact CG1-CD1 3.89Å; V342-L346 HydrophobicContact CG1-CG 4.42Å; V342-L346 WeakPolarHBondContact O-CB 3.38Å; V342-L346 VanDerWaalsContact O-CG 3.27Å; V342-L346 WeakPolarHBondContact O-CG 3.1Å; V342-L346 PolarHBondContact O-N 2.96Å; P343-L346 PolarHBondContact O-N 3.3Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.88Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.91Å; L346-W350 PolarHBondContact O-N 2.91Å
347	I	91.3	Very high	90.1	Very high	20 Å²	20	49.2 Å²	49.2	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-42.7	175.1	-73.2	167.7	0	0	0	111	P343 C344 I349 W350 T351 I371 A374 L375 F378	P343-I347 WeakPolarHBondContact O-CB 3.16Å; P343-I347 VanDerWaalsContact O-CG1 3.27Å; P343-I347 WeakPolarHBondContact O-CG1 3.33Å; P343-I347 PolarHBondContact O-N 3.44Å; C344-I347 PolarHBondContact O-N 3.06Å; I347-I349 VanDerWaalsContact C-N 3.32Å; I347-I349 PolarHBondContact O-N 2.95Å; I347-W350 PolarHBondContact O-N 2.93Å; I347-T351 WeakPolarHBondContact O-CG2 3.38Å; I347-T351 PolarHBondContact O-N 3.11Å; I347-T351 VanDerWaalsContact O-N 3.16Å; I347-I371 HydrophobicContact CG2-CG2 4.29Å; I347-A374 HydrophobicContact CD1-CB 4.21Å; I347-L375 HydrophobicContact CG2-CB 4.24Å; I347-L375 HydrophobicContact CG2-CD1 4.4Å; I347-F378 HydrophobicContact CD1-CD2 3.53Å; I347-F378 HydrophobicContact CD1-CE2 3.56Å
348	A	88.2	Confident	90	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-42.5	174.5	0	0	0	0	0	112.1	C344 T345 L346 T351 Y399 T403 N583	C344-A348 PolarHBondContact O-N 2.9Å; T345-A348 WeakPolarHBondContact O-CB 3.39Å; T345-A348 PolarHBondContact O-N 3.47Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.88Å; A348-T351 WeakPolarHBondContact O-CB 3.46Å; A348-T351 WeakPolarHBondContact O-CG2 3.45Å; A348-T351 PolarHBondContact O-N 2.99Å; A348-T351 PolarHBondContact O-OG1 3.33Å; A348-Y399 WeakPolarHBondContact CB-OH 3.36Å; A348-T403 HydrophobicContact CB-CG2 3.8Å; A348-N583 PolarHBondContact O-ND2 3.08Å
349	I	89	Confident	89.5	Confident	87 Å²	87	47.8 Å²	47.8	45%	0.446	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-45.3	174.6	-69.5	163.1	0	0	0	111.1	T345 L346 I347 T351 T352 F353	T345-I349 WeakPolarHBondContact O-CG1 3.27Å; T345-I349 PolarHBondContact O-N 3.47Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.91Å; I347-I349 VanDerWaalsContact C-N 3.32Å; I347-I349 PolarHBondContact O-N 2.95Å; I349-T351 PolarHBondContact O-N 3.01Å; I349-T352 WeakPolarHBondContact O-CB 3.26Å; I349-T352 PolarHBondContact O-N 3.3Å; I349-F353 HydrophobicContact CG2-CD2 4.2Å; I349-F353 HydrophobicContact CG2-CE2 3.8Å
350	W	91.4	Very high	88.9	Confident	133 Å²	133	48.9 Å²	48.9	50%	0.504	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-29	177.2	-75.1	115.7	0	0	0	113.4	L346 I347 T352 F353 F367 I371	L346-W350 PolarHBondContact O-N 2.91Å; I347-W350 PolarHBondContact O-N 2.93Å; W350-T352 PolarHBondContact O-N 2.91Å; W350-T352 VanDerWaalsContact O-N 3.17Å; W350-F353 HydrophobicContact CE3-CB 4.18Å; W350-F353 HydrophobicContact CE3-CD2 4.11Å; W350-F353 HydrophobicContact CE3-CG 4.24Å; W350-F353 PolarHBondContact O-N 3.21Å; W350-F353 VanDerWaalsContact O-N 3.17Å; W350-F367 HydrophobicContact CB-CZ 4.47Å; W350-F367 HydrophobicContact CD2-CZ 4.35Å; W350-F367 HydrophobicContact CE3-CE2 4.49Å; W350-F367 AromaticContact CE3-CZ 3.69Å; W350-F367 HydrophobicContact CE3-CZ 3.69Å; W350-F367 HydrophobicContact CZ3-CZ 4.25Å; W350-I371 HydrophobicContact CB-CD1 4.01Å; W350-I371 HydrophobicContact CB-CG1 4.46Å
351	T	90.2	Very high	88.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-28.8	173.3	75.2	0	0	0	0	113.3	I347 A348 I349 V354 I371 V407 N583	I347-T351 WeakPolarHBondContact O-CG2 3.38Å; I347-T351 PolarHBondContact O-N 3.11Å; I347-T351 VanDerWaalsContact O-N 3.16Å; A348-T351 WeakPolarHBondContact O-CB 3.46Å; A348-T351 WeakPolarHBondContact O-CG2 3.45Å; A348-T351 PolarHBondContact O-N 2.99Å; A348-T351 PolarHBondContact O-OG1 3.33Å; I349-T351 PolarHBondContact O-N 3.01Å; T351-V354 WeakPolarHBondContact O-CB 3.46Å; T351-V354 WeakPolarHBondContact O-CG2 3.34Å; T351-I371 HydrophobicContact CG2-CG2 4Å; T351-V407 HydrophobicContact CG2-CG2 3.5Å; T351-N583 PolarHBondContact OG1-ND2 3.47Å
352	T	89.9	Confident	87.9	Confident	20 Å²	20	61.2 Å²	61.2	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-80.5	-34.4	-178.8	-50.3	0	0	0	0	111.1	I349 W350 V354 F355 L576 N583	I349-T352 WeakPolarHBondContact O-CB 3.26Å; I349-T352 PolarHBondContact O-N 3.3Å; W350-T352 PolarHBondContact O-N 2.91Å; W350-T352 VanDerWaalsContact O-N 3.17Å; T352-V354 PolarHBondContact O-N 2.89Å; T352-F355 PolarHBondContact O-N 3.4Å; T352-L576 HydrophobicContact CG2-CG 4.49Å; T352-N583 PolarHBondContact OG1-ND2 3.09Å
353	F	89.4	Confident	87.8	Confident	106 Å²	106	63.5 Å²	63.5	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-22.1	176.8	-80.5	-81.9	0	0	0	113.3	I349 W350 F355 Y356 L357	I349-F353 HydrophobicContact CG2-CD2 4.2Å; I349-F353 HydrophobicContact CG2-CE2 3.8Å; W350-F353 HydrophobicContact CE3-CB 4.18Å; W350-F353 HydrophobicContact CE3-CD2 4.11Å; W350-F353 HydrophobicContact CE3-CG 4.24Å; W350-F353 PolarHBondContact O-N 3.21Å; W350-F353 VanDerWaalsContact O-N 3.17Å; F353-F355 PolarHBondContact O-N 3.01Å; F353-Y356 WeakPolarHBondContact O-CB 3.4Å; F353-Y356 PolarHBondContact O-N 3.35Å; F353-L357 PolarHBondContact O-N 2.73Å
354	V	91.3	Very high	87.7	Confident	3 Å²	3	62 Å²	62	2%	0.018	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.5	172	176.8	0	0	0	0	112.3	T351 T352 Y356 L357 K364 F367 S368 I371 T414	T351-V354 WeakPolarHBondContact O-CB 3.46Å; T351-V354 WeakPolarHBondContact O-CG2 3.34Å; T352-V354 PolarHBondContact O-N 2.89Å; V354-Y356 VanDerWaalsContact C-N 3.3Å; V354-Y356 PolarHBondContact O-N 2.99Å; V354-L357 PolarHBondContact O-N 3.43Å; V354-K364 HydrophobicContact CG1-CG 4.47Å; V354-K364 WeakPolarHBondContact O-CE 3.42Å; V354-F367 HydrophobicContact CG2-CD1 3.83Å; V354-F367 HydrophobicContact CG2-CE1 3.9Å; V354-S368 WeakPolarHBondContact CG1-OG 3.42Å; V354-I371 HydrophobicContact CG2-CD1 3.75Å; V354-T414 HydrophobicContact CG1-CG2 3.43Å; V354-T414 VanDerWaalsContact CG1-CG2 3.43Å
355	F	91	Very high	87.8	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.026	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-81.5	-6.1	-179.5	-58.7	-69.7	0	0	0	114	T352 F353 S410 V413 T414 F575 L576 F579	T352-F355 PolarHBondContact O-N 3.4Å; F353-F355 PolarHBondContact O-N 3.01Å; F355-S410 WeakPolarHBondContact CE2-OG 3.41Å; F355-S410 WeakPolarHBondContact CZ-OG 3.36Å; F355-V413 HydrophobicContact CE1-CB 4.18Å; F355-V413 HydrophobicContact CE1-CG1 3.68Å; F355-V413 HydrophobicContact CZ-CB 4.49Å; F355-V413 HydrophobicContact CZ-CG1 4.34Å; F355-T414 HydrophobicContact CE1-CG2 4.17Å; F355-F575 HydrophobicContact CD1-CB 3.93Å; F355-F575 HydrophobicContact CE1-CB 3.86Å; F355-F575 HydrophobicContact CG-CB 4.34Å; F355-F575 HydrophobicContact CZ-CB 4.2Å; F355-L576 HydrophobicContact CB-CB 3.71Å; F355-L576 HydrophobicContact CB-CD1 4.44Å; F355-L576 HydrophobicContact CB-CG 4.24Å; F355-F579 HydrophobicContact CD2-CB 4.29Å; F355-F579 HydrophobicContact CD2-CD2 4.21Å; F355-F579 HydrophobicContact CD2-CG 4.36Å; F355-F579 HydrophobicContact CE2-CB 3.92Å; F355-F579 HydrophobicContact CE2-CD1 4.18Å; F355-F579 AromaticContact CE2-CD2 3.31Å; F355-F579 HydrophobicContact CE2-CD2 3.31Å; F355-F579 AromaticContact CE2-CE2 3.77Å; F355-F579 HydrophobicContact CE2-CE2 3.77Å; F355-F579 AromaticContact CE2-CG 3.53Å; F355-F579 HydrophobicContact CE2-CG 3.53Å; F355-F579 HydrophobicContact CE2-CZ 4.37Å; F355-F579 AromaticContact CZ-CD2 3.55Å; F355-F579 HydrophobicContact CZ-CD2 3.55Å; F355-F579 AromaticContact CZ-CE2 3.53Å; F355-F579 HydrophobicContact CZ-CE2 3.53Å; F355-F579 HydrophobicContact CZ-CG 4.19Å; F355-F579 HydrophobicContact CZ-CZ 4.15Å
356	Y	89.5	Confident	88	Confident	179 Å²	179	66 Å²	66	70%	0.702	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-87.8	-22.4	172.5	-171.2	-99.9	0	0	0	112	F353 V354 L576	F353-Y356 WeakPolarHBondContact O-CB 3.4Å; F353-Y356 PolarHBondContact O-N 3.35Å; V354-Y356 VanDerWaalsContact C-N 3.3Å; V354-Y356 PolarHBondContact O-N 2.99Å; Y356-L576 HydrophobicContact CD2-CD1 4.15Å
357	L	89.8	Confident	88	Confident	59 Å²	59	65 Å²	65	31%	0.309	31%	0.314	S	S	.	.	S	Bend	trans	-77.3	123.2	-179.8	-162.4	75.3	0	0	0	110.6	F353 V354 C361 K364	F353-L357 PolarHBondContact O-N 2.73Å; V354-L357 PolarHBondContact O-N 3.43Å; L357-C361 HydrophobicContact CD2-CB 4.3Å; L357-C361 HydrophobicContact CG-CB 4.2Å; L357-K364 HydrophobicContact CD2-CB 4.19Å
358	P	85.8	Confident	88	Confident	73 Å²	73	64.2 Å²	64.2	47%	0.474	31%	0.31	S	S	.	.			trans	-68.1	142.5	-176.3	27.8	-34.8	0	0	0	111.7	C360 C361	P358-C360 PolarHBondContact O-N 3.19Å; P358-C360 VanDerWaalsContact O-N 3.09Å; P358-C361 WeakPolarHBondContact O-CB 3.36Å; P358-C361 PolarHBondContact O-N 3.03Å
359	A	82.1	Confident	88.2	Confident	6 Å²	6	68 Å²	68	5%	0.05	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.7	-177.9	0	0	0	0	0	114.9	C361 L418 N421	A359-C361 PolarHBondContact O-N 3.48Å; A359-L418 HydrophobicContact CB-CD2 3.82Å; A359-N421 HydrophobicContact CB-CB 3.95Å; A359-N421 VanDerWaalsContact CB-OD1 3.27Å; A359-N421 WeakPolarHBondContact CB-OD1 3.27Å
360	C	78.7	Confident	88.4	Confident	106 Å²	106	71.4 Å²	71.4	72%	0.716	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.7	174.8	-48	0	0	0	0	112.6	P358 R362	P358-C360 PolarHBondContact O-N 3.19Å; P358-C360 VanDerWaalsContact O-N 3.09Å; C360-R362 PolarHBondContact O-N 3.31Å
361	C	76.2	Confident	88.5	Confident	59 Å²	59	65.7 Å²	65.7	40%	0.399	32%	0.317	S	S	.	.	S	Bend	trans	-79	100	170	-65.6	0	0	0	0	109.2	L357 P358 A359 E363 K364	L357-C361 HydrophobicContact CD2-CB 4.3Å; L357-C361 HydrophobicContact CG-CB 4.2Å; P358-C361 WeakPolarHBondContact O-CB 3.36Å; P358-C361 PolarHBondContact O-N 3.03Å; A359-C361 PolarHBondContact O-N 3.48Å; C361-E363 PolarHBondContact O-N 3.34Å; C361-K364 PolarHBondContact O-N 3.28Å
362	R	80.2	Confident	88.7	Confident	214 Å²	214	67.7 Å²	67.7	81%	0.808	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-14	-178.6	-65.9	176.7	64.6	-163.9	-1.3	114.9	C360 K364	C360-R362 PolarHBondContact O-N 3.31Å; R362-K364 VanDerWaalsContact C-N 3.26Å; R362-K364 PolarHBondContact O-N 3.45Å
363	E	88.1	Confident	88.9	Confident	114 Å²	114	70.5 Å²	70.5	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-8.2	176.6	-58.6	-49.1	141.4	0	0	115.8	C361 I365 T366 F367	C361-E363 PolarHBondContact O-N 3.34Å; E363-I365 VanDerWaalsContact C-N 3.26Å; E363-I365 PolarHBondContact O-N 3.45Å; E363-T366 WeakPolarHBondContact O-CB 3.12Å; E363-T366 PolarHBondContact O-N 3.06Å; E363-T366 WeakPolarHBondContact OE2-CB 3.42Å; E363-T366 PolarHBondContact OE2-OG1 3.16Å; E363-F367 WeakPolarHBondContact O-CB 3.33Å; E363-F367 PolarHBondContact O-N 2.95Å
364	K	90.8	Very high	89.1	Confident	1 Å²	1	67.2 Å²	67.2	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-56.2	-37.9	-178.6	-165.9	-178.6	-177.9	-165	0	113.2	V354 L357 C361 R362 S368 T414 T417 L418 D572	V354-K364 HydrophobicContact CG1-CG 4.47Å; V354-K364 WeakPolarHBondContact O-CE 3.42Å; L357-K364 HydrophobicContact CD2-CB 4.19Å; C361-K364 PolarHBondContact O-N 3.28Å; R362-K364 VanDerWaalsContact C-N 3.26Å; R362-K364 PolarHBondContact O-N 3.45Å; K364-S368 PolarHBondContact O-N 3.07Å; K364-S368 PolarHBondContact O-OG 3.33Å; K364-T414 HydrophobicContact CD-CG2 4.46Å; K364-T414 HydrophobicContact CG-CG2 4.39Å; K364-T417 PolarHBondContact NZ-OG1 3.48Å; K364-L418 HydrophobicContact CD-CD2 4.45Å; K364-D572 IonicContact NZ-OD1 3.72Å; K364-D572 PolarHBondContact NZ-OD1 2.99Å; K364-D572 IonicContact NZ-OD2 3.9Å; K364-D572 PolarHBondContact NZ-OD2 2.57Å
365	I	90.8	Very high	89.1	Confident	69 Å²	69	67.1 Å²	67.1	35%	0.354	34%	0.336	S	S	.	.	H	α-helix	trans	-72.1	-48.5	173	-60.5	-178.5	0	0	0	110.4	E363 F367 S368 I369 L418	E363-I365 VanDerWaalsContact C-N 3.26Å; E363-I365 PolarHBondContact O-N 3.45Å; I365-F367 VanDerWaalsContact C-N 3.3Å; I365-F367 PolarHBondContact O-N 3.35Å; I365-S368 WeakPolarHBondContact O-CB 3.06Å; I365-S368 PolarHBondContact O-N 2.94Å; I365-S368 VanDerWaalsContact O-N 3.1Å; I365-I369 HydrophobicContact CG2-CD1 3.65Å; I365-I369 HydrophobicContact CG2-CG1 4.19Å; I365-I369 WeakPolarHBondContact O-CG1 3.43Å; I365-I369 PolarHBondContact O-N 2.95Å; I365-L418 HydrophobicContact CD1-CD1 3.66Å; I365-L418 HydrophobicContact CG1-CD1 3.39Å
366	T	92	Very high	89.1	Confident	42 Å²	42	69.4 Å²	69.4	26%	0.258	35%	0.351	S	S	.	.	H	α-helix	trans	-51.7	-49.2	-179.5	-37	0	0	0	0	111.5	E363 I369 Y370	E363-T366 WeakPolarHBondContact O-CB 3.12Å; E363-T366 PolarHBondContact O-N 3.06Å; E363-T366 WeakPolarHBondContact OE2-CB 3.42Å; E363-T366 PolarHBondContact OE2-OG1 3.16Å; T366-I369 PolarHBondContact O-N 2.84Å; T366-Y370 HydrophobicContact CG2-CD2 4.23Å; T366-Y370 HydrophobicContact CG2-CE2 3.56Å; T366-Y370 WeakPolarHBondContact O-CD2 3.45Å; T366-Y370 PolarHBondContact O-N 3.42Å
367	F	91.7	Very high	89.3	Confident	64 Å²	64	65 Å²	65	28%	0.281	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-42.4	179.1	-175.5	-119.4	0	0	0	112.4	W350 V354 E363 I365 I369 Y370 I371	W350-F367 HydrophobicContact CB-CZ 4.47Å; W350-F367 HydrophobicContact CD2-CZ 4.35Å; W350-F367 HydrophobicContact CE3-CE2 4.49Å; W350-F367 AromaticContact CE3-CZ 3.69Å; W350-F367 HydrophobicContact CE3-CZ 3.69Å; W350-F367 HydrophobicContact CZ3-CZ 4.25Å; V354-F367 HydrophobicContact CG2-CD1 3.83Å; V354-F367 HydrophobicContact CG2-CE1 3.9Å; E363-F367 WeakPolarHBondContact O-CB 3.33Å; E363-F367 PolarHBondContact O-N 2.95Å; I365-F367 VanDerWaalsContact C-N 3.3Å; I365-F367 PolarHBondContact O-N 3.35Å; F367-I369 VanDerWaalsContact C-N 3.34Å; F367-I369 PolarHBondContact O-N 3.3Å; F367-Y370 PolarHBondContact O-N 3.48Å; F367-I371 HydrophobicContact CD1-CD1 4.03Å; F367-I371 HydrophobicContact CE1-CD1 3.61Å; F367-I371 HydrophobicContact CE2-CD1 4.25Å; F367-I371 HydrophobicContact CG-CD1 4.5Å; F367-I371 HydrophobicContact CZ-CD1 3.73Å; F367-I371 HydrophobicContact CZ-CG1 4.45Å; F367-I371 WeakPolarHBondContact O-CG1 3.4Å; F367-I371 PolarHBondContact O-N 2.95Å
368	S	91.7	Very high	89.3	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.028	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-39	176	-54.3	0	0	0	0	112.4	V354 K364 I365 L372	V354-S368 WeakPolarHBondContact CG1-OG 3.42Å; K364-S368 PolarHBondContact O-N 3.07Å; K364-S368 PolarHBondContact O-OG 3.33Å; I365-S368 WeakPolarHBondContact O-CB 3.06Å; I365-S368 PolarHBondContact O-N 2.94Å; I365-S368 VanDerWaalsContact O-N 3.1Å; S368-L372 PolarHBondContact O-N 3.37Å; S368-L372 VanDerWaalsContact O-N 3.12Å
369	I	92.4	Very high	89.5	Confident	80 Å²	80	64.4 Å²	64.4	41%	0.41	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-41.9	176.7	-68	175.7	0	0	0	110.9	I365 T366 F367 I371 L372 V373	I365-I369 HydrophobicContact CG2-CD1 3.65Å; I365-I369 HydrophobicContact CG2-CG1 4.19Å; I365-I369 WeakPolarHBondContact O-CG1 3.43Å; I365-I369 PolarHBondContact O-N 2.95Å; T366-I369 PolarHBondContact O-N 2.84Å; F367-I369 VanDerWaalsContact C-N 3.34Å; F367-I369 PolarHBondContact O-N 3.3Å; I369-I371 VanDerWaalsContact C-N 3.32Å; I369-I371 PolarHBondContact O-N 3.34Å; I369-L372 WeakPolarHBondContact O-CB 3.38Å; I369-L372 PolarHBondContact O-N 3.18Å; I369-V373 HydrophobicContact CG2-CG2 4.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.2Å; I369-V373 PolarHBondContact O-N 3.48Å
370	Y	94	Very high	89.9	Confident	159 Å²	159	69.3 Å²	69.3	62%	0.624	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-38	175.8	-67.4	-32.2	0	0	0	112.6	T366 F367 V373 A374	T366-Y370 HydrophobicContact CG2-CD2 4.23Å; T366-Y370 HydrophobicContact CG2-CE2 3.56Å; T366-Y370 WeakPolarHBondContact O-CD2 3.45Å; T366-Y370 PolarHBondContact O-N 3.42Å; F367-Y370 PolarHBondContact O-N 3.48Å; Y370-V373 PolarHBondContact O-N 2.84Å; Y370-A374 WeakPolarHBondContact O-CB 3.5Å; Y370-A374 PolarHBondContact O-N 2.9Å
371	I	93.3	Very high	90.5	Very high	13 Å²	13	69 Å²	69	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-46.6	172.4	-73.8	169.8	0	0	0	111.1	I347 W350 T351 V354 F367 I369 A374 L375 V407	I347-I371 HydrophobicContact CG2-CG2 4.29Å; W350-I371 HydrophobicContact CB-CD1 4.01Å; W350-I371 HydrophobicContact CB-CG1 4.46Å; T351-I371 HydrophobicContact CG2-CG2 4Å; V354-I371 HydrophobicContact CG2-CD1 3.75Å; F367-I371 HydrophobicContact CD1-CD1 4.03Å; F367-I371 HydrophobicContact CE1-CD1 3.61Å; F367-I371 HydrophobicContact CE2-CD1 4.25Å; F367-I371 HydrophobicContact CG-CD1 4.5Å; F367-I371 HydrophobicContact CZ-CD1 3.73Å; F367-I371 HydrophobicContact CZ-CG1 4.45Å; F367-I371 WeakPolarHBondContact O-CG1 3.4Å; F367-I371 PolarHBondContact O-N 2.95Å; I369-I371 VanDerWaalsContact C-N 3.32Å; I369-I371 PolarHBondContact O-N 3.34Å; I371-A374 PolarHBondContact O-N 3.48Å; I371-L375 WeakPolarHBondContact O-CB 3.34Å; I371-L375 PolarHBondContact O-N 2.94Å; I371-V407 HydrophobicContact CG2-CG1 4.26Å; I371-V407 HydrophobicContact CG2-CG2 3.83Å
372	L	93.1	Very high	91.2	Very high	45 Å²	45	66.2 Å²	66.2	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-47.7	176.7	179.1	62.9	0	0	0	111.8	S368 I369 L375 T376 L404 V407 T408 I411	S368-L372 PolarHBondContact O-N 3.37Å; S368-L372 VanDerWaalsContact O-N 3.12Å; I369-L372 WeakPolarHBondContact O-CB 3.38Å; I369-L372 PolarHBondContact O-N 3.18Å; L372-L375 PolarHBondContact O-N 3.18Å; L372-T376 HydrophobicContact CD1-CG2 4.34Å; L372-T376 WeakPolarHBondContact O-CG2 3.4Å; L372-T376 PolarHBondContact O-N 3.28Å; L372-T376 PolarHBondContact O-OG1 3.06Å; L372-L404 HydrophobicContact CD1-CD1 3.53Å; L372-V407 HydrophobicContact CB-CG1 3.73Å; L372-V407 HydrophobicContact CD1-CG1 3.86Å; L372-V407 HydrophobicContact CG-CG1 4.35Å; L372-T408 HydrophobicContact CD1-CG2 4.46Å; L372-I411 HydrophobicContact CB-CD1 4.05Å; L372-I411 HydrophobicContact CD2-CD1 3.8Å; L372-I411 HydrophobicContact CG-CD1 4.45Å
373	V	94.5	Very high	91.6	Very high	78 Å²	78	59.9 Å²	59.9	47%	0.473	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-48.3	179	172.6	0	0	0	0	110.5	I369 Y370 L375 T376 V377	I369-V373 HydrophobicContact CG2-CG2 4.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.2Å; I369-V373 PolarHBondContact O-N 3.48Å; Y370-V373 PolarHBondContact O-N 2.84Å; V373-L375 PolarHBondContact O-N 3.42Å; V373-T376 PolarHBondContact O-N 2.94Å; V373-T376 PolarHBondContact O-OG1 3.41Å; V373-V377 WeakPolarHBondContact O-CG2 3.46Å; V373-V377 PolarHBondContact O-N 3.05Å
374	A	93.2	Very high	91.7	Very high	37 Å²	37	59.8 Å²	59.8	31%	0.306	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-48	177.2	0	0	0	0	0	111.8	I347 Y370 I371 T376 V377 F378	I347-A374 HydrophobicContact CD1-CB 4.21Å; Y370-A374 WeakPolarHBondContact O-CB 3.5Å; Y370-A374 PolarHBondContact O-N 2.9Å; I371-A374 PolarHBondContact O-N 3.48Å; A374-T376 PolarHBondContact O-N 2.84Å; A374-V377 PolarHBondContact O-N 3.02Å; A374-F378 VanDerWaalsContact O-CD2 3.31Å; A374-F378 WeakPolarHBondContact O-CD2 3.43Å; A374-F378 PolarHBondContact O-N 2.96Å
375	L	91.9	Very high	91.6	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-39.8	178.5	-175	59.4	0	0	0	112.4	I347 I371 L372 V373 V377 F378 F379 L400 L404 V407	I347-L375 HydrophobicContact CG2-CB 4.24Å; I347-L375 HydrophobicContact CG2-CD1 4.4Å; I371-L375 WeakPolarHBondContact O-CB 3.34Å; I371-L375 PolarHBondContact O-N 2.94Å; L372-L375 PolarHBondContact O-N 3.18Å; V373-L375 PolarHBondContact O-N 3.42Å; L375-V377 VanDerWaalsContact C-N 3.33Å; L375-V377 PolarHBondContact O-N 3.09Å; L375-F378 PolarHBondContact O-N 3.19Å; L375-F379 WeakPolarHBondContact O-CB 3.32Å; L375-F379 PolarHBondContact O-N 3.44Å; L375-L400 HydrophobicContact CD1-CD2 3.96Å; L375-L404 HydrophobicContact CD2-CB 4.08Å; L375-L404 HydrophobicContact CD2-CD1 4.21Å; L375-V407 HydrophobicContact CD2-CG2 3.98Å
376	T	91.9	Very high	91.5	Very high	53 Å²	53	59.5 Å²	59.5	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-32.7	175.4	58.8	0	0	0	0	113	L372 V373 A374 F379 L380 L404	L372-T376 HydrophobicContact CD1-CG2 4.34Å; L372-T376 WeakPolarHBondContact O-CG2 3.4Å; L372-T376 PolarHBondContact O-N 3.28Å; L372-T376 PolarHBondContact O-OG1 3.06Å; V373-T376 PolarHBondContact O-N 2.94Å; V373-T376 PolarHBondContact O-OG1 3.41Å; A374-T376 PolarHBondContact O-N 2.84Å; T376-F379 PolarHBondContact O-N 3.39Å; T376-L380 WeakPolarHBondContact O-CG 3.4Å; T376-L380 PolarHBondContact O-N 3.15Å; T376-L404 HydrophobicContact CG2-CD1 4.26Å
377	V	92.4	Very high	91.4	Very high	88 Å²	88	57.7 Å²	57.7	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-43.2	173.7	173.2	0	0	0	0	111.3	V373 A374 L375 F379 L380 F381	V373-V377 WeakPolarHBondContact O-CG2 3.46Å; V373-V377 PolarHBondContact O-N 3.05Å; A374-V377 PolarHBondContact O-N 3.02Å; L375-V377 VanDerWaalsContact C-N 3.33Å; L375-V377 PolarHBondContact O-N 3.09Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.03Å; V377-L380 PolarHBondContact O-N 3.03Å; V377-F381 PolarHBondContact O-N 2.96Å
378	F	89.9	Confident	91.2	Very high	54 Å²	54	60.3 Å²	60.3	24%	0.237	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-35.7	173.5	-81.3	-74.7	0	0	0	112.5	P343 I347 A374 L375 F381 F382	P343-F378 HydrophobicContact CB-CE1 3.8Å; P343-F378 HydrophobicContact CB-CE2 4.27Å; P343-F378 HydrophobicContact CB-CZ 3.59Å; P343-F378 HydrophobicContact CG-CE1 4.35Å; P343-F378 HydrophobicContact CG-CZ 4.38Å; I347-F378 HydrophobicContact CD1-CD2 3.53Å; I347-F378 HydrophobicContact CD1-CE2 3.56Å; A374-F378 VanDerWaalsContact O-CD2 3.31Å; A374-F378 WeakPolarHBondContact O-CD2 3.43Å; A374-F378 PolarHBondContact O-N 2.96Å; L375-F378 PolarHBondContact O-N 3.19Å; F378-F381 PolarHBondContact O-N 2.9Å; F378-F382 WeakPolarHBondContact O-CB 3.43Å; F378-F382 PolarHBondContact O-N 3.15Å
379	F	90	Very high	91	Very high	64 Å²	64	62 Å²	62	28%	0.281	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-39.3	175.3	-174.9	-112.6	0	0	0	112.8	L375 T376 V377 F382 I383 L400	L375-F379 WeakPolarHBondContact O-CB 3.32Å; L375-F379 PolarHBondContact O-N 3.44Å; T376-F379 PolarHBondContact O-N 3.39Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.03Å; F379-F382 PolarHBondContact O-N 2.73Å; F379-I383 HydrophobicContact CD1-CD1 3.84Å; F379-I383 HydrophobicContact CE1-CD1 3.47Å; F379-I383 VanDerWaalsContact CE1-CD1 3.47Å; F379-I383 HydrophobicContact CE2-CD1 4.34Å; F379-I383 HydrophobicContact CG-CD1 4.44Å; F379-I383 HydrophobicContact CZ-CD1 3.75Å; F379-I383 WeakPolarHBondContact O-CG1 3.32Å; F379-I383 PolarHBondContact O-N 3.39Å; F379-L400 HydrophobicContact CD2-CB 4.11Å; F379-L400 HydrophobicContact CD2-CD1 4.3Å
380	L	91.8	Very high	90.7	Very high	109 Å²	109	63.9 Å²	63.9	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-47.1	172.9	-71.8	170.9	0	0	0	111.8	T376 V377 F382 I383 D384	T376-L380 WeakPolarHBondContact O-CG 3.4Å; T376-L380 PolarHBondContact O-N 3.15Å; V377-L380 PolarHBondContact O-N 3.03Å; L380-F382 VanDerWaalsContact C-N 3.27Å; L380-F382 PolarHBondContact O-N 3.08Å; L380-I383 PolarHBondContact O-N 3.42Å; L380-I383 VanDerWaalsContact O-N 3.16Å; L380-D384 PolarHBondContact O-N 2.97Å
381	F	90.8	Very high	90.4	Very high	99 Å²	99	63.1 Å²	63.1	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-39	175.8	173.4	-109.1	0	0	0	112.4	L340 V377 F378 D384 I385	L340-F381 HydrophobicContact CD1-CD1 3.92Å; L340-F381 HydrophobicContact CD1-CE1 4.1Å; V377-F381 PolarHBondContact O-N 2.96Å; F378-F381 PolarHBondContact O-N 2.9Å; F381-D384 PolarHBondContact O-N 3.49Å; F381-I385 HydrophobicContact CD1-CD1 4.18Å; F381-I385 HydrophobicContact CD2-CD1 4.49Å; F381-I385 HydrophobicContact CE1-CD1 3.74Å; F381-I385 HydrophobicContact CE2-CD1 4.08Å; F381-I385 HydrophobicContact CZ-CD1 3.7Å; F381-I385 WeakPolarHBondContact O-CG1 3.49Å
382	F	90.3	Very high	90.2	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.009	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-42.5	174.9	176.4	-98.5	0	0	0	112.8	F235 L340 F378 F379 L380 D384 I385 I386 P394 M396 A397 L400	F235-F382 HydrophobicContact CD1-CE2 4.01Å; F235-F382 HydrophobicContact CE1-CE2 4.04Å; L340-F382 HydrophobicContact CD1-CB 4.46Å; L340-F382 HydrophobicContact CD2-CD2 3.82Å; L340-F382 HydrophobicContact CD2-CE2 4.37Å; F378-F382 WeakPolarHBondContact O-CB 3.43Å; F378-F382 PolarHBondContact O-N 3.15Å; F379-F382 PolarHBondContact O-N 2.73Å; L380-F382 VanDerWaalsContact C-N 3.27Å; L380-F382 PolarHBondContact O-N 3.08Å; F382-D384 VanDerWaalsContact C-N 3.32Å; F382-D384 PolarHBondContact O-N 2.84Å; F382-I385 PolarHBondContact O-N 3.38Å; F382-I386 HydrophobicContact CD1-CD1 4.39Å; F382-I386 HydrophobicContact CD2-CG2 4.48Å; F382-I386 HydrophobicContact CE1-CD1 3.7Å; F382-I386 HydrophobicContact CE1-CG1 4.3Å; F382-I386 HydrophobicContact CE1-CG2 4.13Å; F382-I386 HydrophobicContact CE2-CG2 3.87Å; F382-I386 HydrophobicContact CZ-CD1 4.2Å; F382-I386 HydrophobicContact CZ-CG2 3.66Å; F382-I386 PolarHBondContact O-N 3.37Å; F382-P394 HydrophobicContact CE1-CG 4.32Å; F382-P394 HydrophobicContact CZ-CG 3.87Å; F382-M396 HydrophobicContact CD2-CG 4.27Å; F382-M396 HydrophobicContact CE2-CB 3.93Å; F382-M396 HydrophobicContact CE2-CG 3.85Å; F382-M396 HydrophobicContact CZ-CB 4.16Å; F382-M396 HydrophobicContact CZ-CG 4.42Å; F382-A397 HydrophobicContact CE1-CB 3.76Å; F382-A397 HydrophobicContact CZ-CB 4.21Å; F382-L400 HydrophobicContact CB-CD1 3.97Å; F382-L400 HydrophobicContact CD1-CD1 3.97Å; F382-L400 HydrophobicContact CD2-CD1 4.27Å; F382-L400 HydrophobicContact CG-CD1 3.78Å
383	I	89.8	Confident	90	Very high	80 Å²	80	67.9 Å²	67.9	41%	0.41	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-35.5	176.5	-73.7	168.8	0	0	0	112.1	F379 L380 I385	F379-I383 HydrophobicContact CD1-CD1 3.84Å; F379-I383 HydrophobicContact CE1-CD1 3.47Å; F379-I383 VanDerWaalsContact CE1-CD1 3.47Å; F379-I383 HydrophobicContact CE2-CD1 4.34Å; F379-I383 HydrophobicContact CG-CD1 4.44Å; F379-I383 HydrophobicContact CZ-CD1 3.75Å; F379-I383 WeakPolarHBondContact O-CG1 3.32Å; F379-I383 PolarHBondContact O-N 3.39Å; L380-I383 PolarHBondContact O-N 3.42Å; L380-I383 VanDerWaalsContact O-N 3.16Å; I383-I385 PolarHBondContact O-N 2.82Å
384	D	90	Very high	89.8	Confident	112 Å²	112	64.4 Å²	64.4	60%	0.599	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-25.2	179.9	-87.2	-29.7	0	0	0	113.4	K146 L380 F381 F382	K146-D384 PolarHBondContact NZ-O 2.87Å; L380-D384 PolarHBondContact O-N 2.97Å; F381-D384 PolarHBondContact O-N 3.49Å; F382-D384 VanDerWaalsContact C-N 3.32Å; F382-D384 PolarHBondContact O-N 2.84Å
385	I	87.9	Confident	89.5	Confident	37 Å²	37	64.5 Å²	64.5	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-84.9	-49.6	-179.7	-65.2	164.9	0	0	0	111.8	F235 Y336 F381 F382 I383	F235-I385 HydrophobicContact CZ-CG2 4.02Å; Y336-I385 HydrophobicContact CE1-CD1 4.48Å; Y336-I385 HydrophobicContact CE1-CG2 4.42Å; F381-I385 HydrophobicContact CD1-CD1 4.18Å; F381-I385 HydrophobicContact CD2-CD1 4.49Å; F381-I385 HydrophobicContact CE1-CD1 3.74Å; F381-I385 HydrophobicContact CE2-CD1 4.08Å; F381-I385 HydrophobicContact CZ-CD1 3.7Å; F381-I385 WeakPolarHBondContact O-CG1 3.49Å; F382-I385 PolarHBondContact O-N 3.38Å; I383-I385 PolarHBondContact O-N 2.82Å
386	I	88.5	Confident	89.3	Confident	27 Å²	27	64.4 Å²	64.4	14%	0.138	35%	0.353	C	S	.	.	S	Bend	trans	-72.6	150.6	-172.6	61.1	163.2	0	0	0	112.9	F382 P394	F382-I386 HydrophobicContact CD1-CD1 4.39Å; F382-I386 HydrophobicContact CD2-CG2 4.48Å; F382-I386 HydrophobicContact CE1-CD1 3.7Å; F382-I386 HydrophobicContact CE1-CG1 4.3Å; F382-I386 HydrophobicContact CE1-CG2 4.13Å; F382-I386 HydrophobicContact CE2-CG2 3.87Å; F382-I386 HydrophobicContact CZ-CD1 4.2Å; F382-I386 HydrophobicContact CZ-CG2 3.66Å; F382-I386 PolarHBondContact O-N 3.37Å; I386-P394 HydrophobicContact CD1-CG 4.47Å
387	P	90	Very high	89.2	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.026	34%	0.343	C	S	.	.			trans	-59	148.2	166.4	17.2	-27.1	0	0	0	112.6	E145 I232 T389	E145-P387 HydrophobicContact CB-CG 4.38Å; E145-P387 VanDerWaalsContact O-CB 3.27Å; E145-P387 WeakPolarHBondContact O-CB 3.44Å; E145-P387 WeakPolarHBondContact O-CG 3.27Å; I232-P387 HydrophobicContact CG2-CG 3.63Å; P387-T389 HydrophobicContact CB-CG2 4.12Å; P387-T389 PolarHBondContact O-N 2.93Å
388	P	87.9	Confident	89.1	Confident	119 Å²	119	62.5 Å²	62.5	77%	0.773	34%	0.336	S	S	*	.			trans	-78.4	45.7	176.5	35.3	-37.2	0	0	0	112.1
389	T	86.7	Confident	89.1	Confident	41 Å²	41	60.4 Å²	60.4	25%	0.252	33%	0.326	S	S	.	.			trans	-88.9	146.1	-179.1	47.8	0	0	0	0	112.3	P387	P387-T389 HydrophobicContact CB-CG2 4.12Å; P387-T389 PolarHBondContact O-N 2.93Å
390	S	87.7	Confident	89.2	Confident	118 Å²	118	57.5 Å²	57.5	83%	0.825	31%	0.313	S	S	*	.			trans	-110.7	2.3	-179.3	54.2	0	0	0	0	114.1
391	L	87.7	Confident	89.2	Confident	144 Å²	144	57 Å²	57	75%	0.754	31%	0.311	S	S	*	.	S	Bend	trans	-65.1	-47.3	-177.4	-61.7	176.2	0	0	0	112.3
392	V	88.7	Confident	89.1	Confident	48 Å²	48	55.4 Å²	55.4	29%	0.291	30%	0.304	S	S	.	.			trans	-140.9	138.9	178.6	-68.6	0	0	0	0	110	I232 Q233	I232-V392 HydrophobicContact CG1-CG2 4.05Å; Q233-V392 HydrophobicContact CB-CG2 4.28Å
393	I	87.8	Confident	89.2	Confident	110 Å²	110	55.4 Å²	55.4	56%	0.564	30%	0.304	S	S	*	.			trans	-85.5	122.5	170.9	-57.9	175.6	0	0	0	107.8	A397 K398	I393-A397 HydrophobicContact CG2-CB 3.84Å; I393-K398 HydrophobicContact CG2-CG 3.91Å; I393-K398 WeakPolarHBondContact O-CE 3.29Å; I393-K398 PolarHBondContact O-NZ 3.18Å
394	P	90.7	Very high	89.3	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.032	29%	0.294	C	S	.	.			trans	-66.3	148.9	-175.8	28	-35.1	0	0	0	111.4	I232 F382 I386 M396 A397 K398	I232-P394 HydrophobicContact CB-CB 4.28Å; I232-P394 HydrophobicContact CD1-CB 4.38Å; I232-P394 HydrophobicContact CD1-CG 4.05Å; I232-P394 HydrophobicContact CG1-CB 4.19Å; I232-P394 HydrophobicContact CG1-CG 4.41Å; I232-P394 WeakPolarHBondContact O-CB 3.36Å; F382-P394 HydrophobicContact CE1-CG 4.32Å; F382-P394 HydrophobicContact CZ-CG 3.87Å; I386-P394 HydrophobicContact CD1-CG 4.47Å; P394-M396 PolarHBondContact O-N 3.07Å; P394-A397 HydrophobicContact CG-CB 3.66Å; P394-A397 WeakPolarHBondContact O-CB 3.46Å; P394-A397 PolarHBondContact O-N 3.09Å; P394-K398 PolarHBondContact O-N 2.82Å; P394-K398 VanDerWaalsContact O-N 3.11Å
395	F	87.2	Confident	89.4	Confident	38 Å²	38	51.2 Å²	51.2	17%	0.167	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-33.5	-178.1	-79.4	-66.6	0	0	0	112.9	Q233 Y234 K398 Y399 Q593	Q233-F395 HydrophobicContact CG-CD2 3.98Å; Q233-F395 HydrophobicContact CG-CE2 3.65Å; Q233-F395 WeakPolarHBondContact O-CD2 3.33Å; Q233-F395 PolarHBondContact O-N 3.31Å; Y234-F395 AromaticContact CD1-CD2 3.92Å; Y234-F395 HydrophobicContact CD1-CD2 3.92Å; Y234-F395 HydrophobicContact CD1-CE2 4.01Å; Y234-F395 AromaticContact CE1-CD2 4Å; Y234-F395 HydrophobicContact CE1-CD2 4Å; Y234-F395 AromaticContact CE1-CE2 3.6Å; Y234-F395 HydrophobicContact CE1-CE2 3.6Å; Y234-F395 AromaticContact CZ-CE2 3.99Å; F395-K398 HydrophobicContact CD1-CD 3.93Å; F395-K398 HydrophobicContact CE1-CD 4.29Å; F395-K398 PolarHBondContact O-N 2.86Å; F395-Y399 PolarHBondContact O-N 2.91Å; F395-Q593 HydrophobicContact CD1-CB 4.33Å; F395-Q593 HydrophobicContact CE1-CB 4.32Å; F395-Q593 VanDerWaalsContact CE1-OE1 3.25Å
396	M	88.1	Confident	89.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-38.1	173.5	-168.7	58.4	-177.5	0	0	113.1	L340 V341 C344 F382 P394 Y399 L400 F590	L340-M396 HydrophobicContact CD2-CE 4.17Å; L340-M396 HydrophobicContact CD2-CG 4.19Å; L340-M396 HydrophobicContact CG-CE 4.02Å; V341-M396 HydrophobicContact CG2-CE 4.43Å; C344-M396 HydrophobicContact CB-CE 3.92Å; F382-M396 HydrophobicContact CD2-CG 4.27Å; F382-M396 HydrophobicContact CE2-CB 3.93Å; F382-M396 HydrophobicContact CE2-CG 3.85Å; F382-M396 HydrophobicContact CZ-CB 4.16Å; F382-M396 HydrophobicContact CZ-CG 4.42Å; P394-M396 PolarHBondContact O-N 3.07Å; M396-Y399 PolarHBondContact O-N 3.34Å; M396-Y399 HydrophobicContact SD-CD1 4.31Å; M396-L400 HydrophobicContact CE-CD1 4.4Å; M396-L400 HydrophobicContact CE-CD2 4.25Å; M396-L400 HydrophobicContact CE-CG 4.22Å; M396-L400 HydrophobicContact CG-CD1 4.36Å; M396-L400 WeakPolarHBondContact O-CG 3.23Å; M396-L400 PolarHBondContact O-N 2.88Å; M396-F590 HydrophobicContact SD-CE2 3.71Å; M396-F590 HydrophobicContact SD-CZ 3.7Å
397	A	90.3	Very high	89.8	Confident	13 Å²	13	49.4 Å²	49.4	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-38.9	173.8	0	0	0	0	0	112.1	F382 I393 P394 Y399 L400 L401	F382-A397 HydrophobicContact CE1-CB 3.76Å; F382-A397 HydrophobicContact CZ-CB 4.21Å; I393-A397 HydrophobicContact CG2-CB 3.84Å; P394-A397 HydrophobicContact CG-CB 3.66Å; P394-A397 WeakPolarHBondContact O-CB 3.46Å; P394-A397 PolarHBondContact O-N 3.09Å; A397-Y399 VanDerWaalsContact C-N 3.31Å; A397-Y399 PolarHBondContact O-N 2.85Å; A397-L400 PolarHBondContact O-N 3.32Å; A397-L401 VanDerWaalsContact O-CB 3.31Å; A397-L401 WeakPolarHBondContact O-CB 3.03Å; A397-L401 PolarHBondContact O-N 2.99Å
398	K	90.1	Very high	89.9	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-41.9	174.8	-65.4	169.2	178.8	139.2	0	110.8	I393 P394 F395 F402	I393-K398 HydrophobicContact CG2-CG 3.91Å; I393-K398 WeakPolarHBondContact O-CE 3.29Å; I393-K398 PolarHBondContact O-NZ 3.18Å; P394-K398 PolarHBondContact O-N 2.82Å; P394-K398 VanDerWaalsContact O-N 3.11Å; F395-K398 HydrophobicContact CD1-CD 3.93Å; F395-K398 HydrophobicContact CE1-CD 4.29Å; F395-K398 PolarHBondContact O-N 2.86Å; K398-F402 VanDerWaalsContact O-CB 3.27Å; K398-F402 WeakPolarHBondContact O-CB 3.43Å; K398-F402 PolarHBondContact O-N 2.89Å
399	Y	90.2	Very high	90.1	Very high	10 Å²	10	50 Å²	50	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-67.1	-43	175.4	-178.3	-103.6	0	0	0	113.2	C344 T345 A348 F395 M396 A397 F402 T403 T587 F590	C344-Y399 HydrophobicContact CB-CE1 4.42Å; T345-Y399 HydrophobicContact CG2-CE1 4.35Å; A348-Y399 WeakPolarHBondContact CB-OH 3.36Å; F395-Y399 PolarHBondContact O-N 2.91Å; M396-Y399 PolarHBondContact O-N 3.34Å; M396-Y399 HydrophobicContact SD-CD1 4.31Å; A397-Y399 VanDerWaalsContact C-N 3.31Å; A397-Y399 PolarHBondContact O-N 2.85Å; Y399-F402 PolarHBondContact O-N 2.99Å; Y399-T403 HydrophobicContact CD1-CG2 4.48Å; Y399-T403 HydrophobicContact CE1-CG2 4.03Å; Y399-T403 HydrophobicContact CE2-CG2 4.12Å; Y399-T403 WeakPolarHBondContact O-CG2 3.45Å; Y399-T403 PolarHBondContact O-N 2.67Å; Y399-T403 PolarHBondContact O-OG1 2.88Å; Y399-T403 VanDerWaalsContact O-OG1 3.09Å; Y399-T587 PolarHBondContact OH-OG1 2.91Å; Y399-F590 HydrophobicContact CD2-CB 3.82Å; Y399-F590 HydrophobicContact CD2-CD2 4.29Å; Y399-F590 HydrophobicContact CD2-CG 4.04Å; Y399-F590 HydrophobicContact CE2-CB 4.27Å; Y399-F590 HydrophobicContact CG-CB 4.37Å; Y399-F590 AromaticContact CG-CD2 3.99Å; Y399-F590 HydrophobicContact CG-CD2 3.99Å; Y399-F590 HydrophobicContact CG-CG 4.13Å
400	L	90.9	Very high	90.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.8	-71.6	173.2	0	0	0	112.4	C344 L375 F379 F382 M396 A397 T403 L404	C344-L400 HydrophobicContact CB-CD2 4.16Å; L375-L400 HydrophobicContact CD1-CD2 3.96Å; F379-L400 HydrophobicContact CD2-CB 4.11Å; F379-L400 HydrophobicContact CD2-CD1 4.3Å; F382-L400 HydrophobicContact CB-CD1 3.97Å; F382-L400 HydrophobicContact CD1-CD1 3.97Å; F382-L400 HydrophobicContact CD2-CD1 4.27Å; F382-L400 HydrophobicContact CG-CD1 3.78Å; M396-L400 HydrophobicContact CE-CD1 4.4Å; M396-L400 HydrophobicContact CE-CD2 4.25Å; M396-L400 HydrophobicContact CE-CG 4.22Å; M396-L400 HydrophobicContact CG-CD1 4.36Å; M396-L400 WeakPolarHBondContact O-CG 3.23Å; M396-L400 PolarHBondContact O-N 2.88Å; A397-L400 PolarHBondContact O-N 3.32Å; L400-T403 PolarHBondContact O-OG1 2.78Å; L400-T403 VanDerWaalsContact O-OG1 3.12Å; L400-L404 VanDerWaalsContact O-CB 3.27Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 PolarHBondContact O-N 3.39Å
401	L	91.2	Very high	90.7	Very high	98 Å²	98	44.3 Å²	44.3	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-40.3	175.1	-176.9	61.5	0	0	0	111.6	A397 L404 T405	A397-L401 VanDerWaalsContact O-CB 3.31Å; A397-L401 WeakPolarHBondContact O-CB 3.03Å; A397-L401 PolarHBondContact O-N 2.99Å; L401-L404 PolarHBondContact O-N 2.9Å; L401-T405 WeakPolarHBondContact O-CG2 3.37Å; L401-T405 PolarHBondContact O-N 3.48Å; L401-T405 PolarHBondContact O-OG1 2.89Å
402	F	90.7	Very high	90.9	Very high	67 Å²	67	41.6 Å²	41.6	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-47.9	174.4	169.8	-102.6	0	0	0	112.2	K398 Y399 L404 T405 L406 V582	K398-F402 VanDerWaalsContact O-CB 3.27Å; K398-F402 WeakPolarHBondContact O-CB 3.43Å; K398-F402 PolarHBondContact O-N 2.89Å; Y399-F402 PolarHBondContact O-N 2.99Å; F402-L404 VanDerWaalsContact C-N 3.28Å; F402-L404 PolarHBondContact O-N 2.75Å; F402-T405 PolarHBondContact O-N 3.09Å; F402-T405 PolarHBondContact O-OG1 3.03Å; F402-L406 HydrophobicContact CD1-CD1 4.13Å; F402-L406 HydrophobicContact CE1-CD1 3.56Å; F402-L406 HydrophobicContact CE1-CG 4.43Å; F402-L406 HydrophobicContact CE2-CD1 4.22Å; F402-L406 HydrophobicContact CE2-CG 4.39Å; F402-L406 HydrophobicContact CZ-CD1 3.64Å; F402-L406 HydrophobicContact CZ-CG 4.29Å; F402-L406 WeakPolarHBondContact O-CG 3.29Å; F402-L406 PolarHBondContact O-N 3.37Å; F402-V582 HydrophobicContact CE2-CG1 4.22Å; F402-V582 HydrophobicContact CZ-CG1 3.74Å
403	T	91.3	Very high	91.1	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-34.5	176.1	52.6	0	0	0	0	111.5	A348 Y399 L400 L406 V407	A348-T403 HydrophobicContact CB-CG2 3.8Å; Y399-T403 HydrophobicContact CD1-CG2 4.48Å; Y399-T403 HydrophobicContact CE1-CG2 4.03Å; Y399-T403 HydrophobicContact CE2-CG2 4.12Å; Y399-T403 WeakPolarHBondContact O-CG2 3.45Å; Y399-T403 PolarHBondContact O-N 2.67Å; Y399-T403 PolarHBondContact O-OG1 2.88Å; Y399-T403 VanDerWaalsContact O-OG1 3.09Å; L400-T403 PolarHBondContact O-OG1 2.78Å; L400-T403 VanDerWaalsContact O-OG1 3.12Å; T403-L406 PolarHBondContact O-N 3.1Å; T403-V407 WeakPolarHBondContact O-CG2 3.32Å; T403-V407 PolarHBondContact O-N 2.81Å
404	L	92.1	Very high	91.3	Very high	37 Å²	37	34.8 Å²	34.8	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-41.9	174.4	-175.1	63.9	0	0	0	112.5	L372 L375 T376 L400 L401 F402 V407 T408	L372-L404 HydrophobicContact CD1-CD1 3.53Å; L375-L404 HydrophobicContact CD2-CB 4.08Å; L375-L404 HydrophobicContact CD2-CD1 4.21Å; T376-L404 HydrophobicContact CG2-CD1 4.26Å; L400-L404 VanDerWaalsContact O-CB 3.27Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 PolarHBondContact O-N 3.39Å; L401-L404 PolarHBondContact O-N 2.9Å; F402-L404 VanDerWaalsContact C-N 3.28Å; F402-L404 PolarHBondContact O-N 2.75Å; L404-V407 PolarHBondContact O-N 2.95Å; L404-T408 PolarHBondContact O-N 2.83Å; L404-T408 PolarHBondContact O-OG1 3.17Å
405	T	91.8	Very high	91.4	Very high	67 Å²	67	38.2 Å²	38.2	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-68.8	-34.9	174.5	58.8	0	0	0	0	112.3	L401 F402 T408 V409	L401-T405 WeakPolarHBondContact O-CG2 3.37Å; L401-T405 PolarHBondContact O-N 3.48Å; L401-T405 PolarHBondContact O-OG1 2.89Å; F402-T405 PolarHBondContact O-N 3.09Å; F402-T405 PolarHBondContact O-OG1 3.03Å; T405-T408 PolarHBondContact O-N 2.7Å; T405-T408 PolarHBondContact O-OG1 2.66Å; T405-T408 VanDerWaalsContact O-OG1 3.09Å; T405-V409 VanDerWaalsContact O-CG2 3.3Å; T405-V409 WeakPolarHBondContact O-CG2 3.47Å; T405-V409 PolarHBondContact O-N 2.89Å
406	L	91.9	Very high	91.7	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-41.5	171.5	-68.5	-178.6	0	0	0	112.1	F402 T403 S410 F579 V582 N583	F402-L406 HydrophobicContact CD1-CD1 4.13Å; F402-L406 HydrophobicContact CE1-CD1 3.56Å; F402-L406 HydrophobicContact CE1-CG 4.43Å; F402-L406 HydrophobicContact CE2-CD1 4.22Å; F402-L406 HydrophobicContact CE2-CG 4.39Å; F402-L406 HydrophobicContact CZ-CD1 3.64Å; F402-L406 HydrophobicContact CZ-CG 4.29Å; F402-L406 WeakPolarHBondContact O-CG 3.29Å; F402-L406 PolarHBondContact O-N 3.37Å; T403-L406 PolarHBondContact O-N 3.1Å; L406-S410 WeakPolarHBondContact O-CB 3.27Å; L406-S410 PolarHBondContact O-N 3.17Å; L406-F579 HydrophobicContact CB-CD1 4.48Å; L406-F579 HydrophobicContact CB-CE1 4.1Å; L406-F579 HydrophobicContact CD2-CD1 4.28Å; L406-F579 HydrophobicContact CD2-CE1 3.96Å; L406-F579 WeakPolarHBondContact O-CE1 3.42Å; L406-V582 HydrophobicContact CD1-CG1 4.04Å; L406-V582 HydrophobicContact CD2-CG1 3.77Å; L406-N583 VanDerWaalsContact CD1-OD1 3.27Å; L406-N583 WeakPolarHBondContact CD1-OD1 3.44Å
407	V	92.4	Very high	91.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-43.4	176.6	173.6	0	0	0	0	111.3	T351 I371 L372 L375 T403 L404 S410 I411	T351-V407 HydrophobicContact CG2-CG2 3.5Å; I371-V407 HydrophobicContact CG2-CG1 4.26Å; I371-V407 HydrophobicContact CG2-CG2 3.83Å; L372-V407 HydrophobicContact CB-CG1 3.73Å; L372-V407 HydrophobicContact CD1-CG1 3.86Å; L372-V407 HydrophobicContact CG-CG1 4.35Å; L375-V407 HydrophobicContact CD2-CG2 3.98Å; T403-V407 WeakPolarHBondContact O-CG2 3.32Å; T403-V407 PolarHBondContact O-N 2.81Å; L404-V407 PolarHBondContact O-N 2.95Å; V407-S410 PolarHBondContact O-N 3.24Å; V407-I411 HydrophobicContact CG1-CD1 3.89Å; V407-I411 WeakPolarHBondContact O-CG1 3.35Å; V407-I411 PolarHBondContact O-N 3.34Å
408	T	92.3	Very high	91.9	Very high	65 Å²	65	40.6 Å²	40.6	40%	0.399	23%	0.225	S	C	.	.	H	α-helix	trans	-68	-41.6	178.8	57.2	0	0	0	0	112.3	L372 L404 T405 S410 I411 T412	L372-T408 HydrophobicContact CD1-CG2 4.46Å; L404-T408 PolarHBondContact O-N 2.83Å; L404-T408 PolarHBondContact O-OG1 3.17Å; T405-T408 PolarHBondContact O-N 2.7Å; T405-T408 PolarHBondContact O-OG1 2.66Å; T405-T408 VanDerWaalsContact O-OG1 3.09Å; T408-S410 VanDerWaalsContact C-N 3.34Å; T408-S410 PolarHBondContact O-N 3.28Å; T408-I411 PolarHBondContact O-N 2.69Å; T408-T412 PolarHBondContact O-N 2.62Å
409	V	92.9	Very high	91.9	Very high	71 Å²	71	40.2 Å²	40.2	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-42.8	172.9	178.3	0	0	0	0	110.4	T405 I411 T412 V413 F579	T405-V409 VanDerWaalsContact O-CG2 3.3Å; T405-V409 WeakPolarHBondContact O-CG2 3.47Å; T405-V409 PolarHBondContact O-N 2.89Å; V409-I411 VanDerWaalsContact C-N 3.34Å; V409-I411 PolarHBondContact O-N 2.85Å; V409-T412 PolarHBondContact O-N 2.86Å; V409-T412 VanDerWaalsContact O-N 3.12Å; V409-T412 PolarHBondContact O-OG1 3.07Å; V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.3Å; V409-V413 PolarHBondContact O-N 3.08Å; V409-F579 HydrophobicContact CB-CZ 4.26Å; V409-F579 HydrophobicContact CG1-CZ 3.97Å
410	S	92.8	Very high	91.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-44.2	175.4	178.9	0	0	0	0	112.1	F355 L406 V407 T408 T412 V413 T414	F355-S410 WeakPolarHBondContact CE2-OG 3.41Å; F355-S410 WeakPolarHBondContact CZ-OG 3.36Å; L406-S410 WeakPolarHBondContact O-CB 3.27Å; L406-S410 PolarHBondContact O-N 3.17Å; V407-S410 PolarHBondContact O-N 3.24Å; T408-S410 VanDerWaalsContact C-N 3.34Å; T408-S410 PolarHBondContact O-N 3.28Å; S410-T412 PolarHBondContact O-N 2.82Å; S410-V413 PolarHBondContact O-N 3.49Å; S410-T414 WeakPolarHBondContact O-CG2 3.16Å; S410-T414 PolarHBondContact O-N 2.98Å; S410-T414 PolarHBondContact O-OG1 2.92Å
411	I	92.9	Very high	91.8	Very high	36 Å²	36	41.3 Å²	41.3	19%	0.185	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-42.7	174.3	-70.6	163.9	0	0	0	111.7	L372 V407 T408 V409 V413 T414 V415	L372-I411 HydrophobicContact CB-CD1 4.05Å; L372-I411 HydrophobicContact CD2-CD1 3.8Å; L372-I411 HydrophobicContact CG-CD1 4.45Å; V407-I411 HydrophobicContact CG1-CD1 3.89Å; V407-I411 WeakPolarHBondContact O-CG1 3.35Å; V407-I411 PolarHBondContact O-N 3.34Å; T408-I411 PolarHBondContact O-N 2.69Å; V409-I411 VanDerWaalsContact C-N 3.34Å; V409-I411 PolarHBondContact O-N 2.85Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 2.84Å; I411-T414 PolarHBondContact O-N 2.82Å; I411-T414 PolarHBondContact O-OG1 2.81Å; I411-T414 VanDerWaalsContact O-OG1 3.06Å; I411-V415 WeakPolarHBondContact O-CG2 3.17Å; I411-V415 PolarHBondContact O-N 2.04Å; I411-V415 VanDerWaalsContact O-N 3.08Å
412	T	93.1	Very high	91.6	Very high	87 Å²	87	43.1 Å²	43.1	53%	0.534	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-38.3	176	63.1	0	0	0	0	112.3	T408 V409 S410 V416	T408-T412 PolarHBondContact O-N 2.62Å; V409-T412 PolarHBondContact O-N 2.86Å; V409-T412 VanDerWaalsContact O-N 3.12Å; V409-T412 PolarHBondContact O-OG1 3.07Å; S410-T412 PolarHBondContact O-N 2.82Å; T412-V416 WeakPolarHBondContact O-CG2 3.41Å; T412-V416 PolarHBondContact O-N 2.95Å; T412-V416 VanDerWaalsContact O-N 3.14Å
413	V	92.5	Very high	91.4	Very high	14 Å²	14	43 Å²	43	9%	0.085	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-43.9	175.5	173.6	0	0	0	0	111	F355 V409 S410 I411 V415 V416 T417 F575	F355-V413 HydrophobicContact CE1-CB 4.18Å; F355-V413 HydrophobicContact CE1-CG1 3.68Å; F355-V413 HydrophobicContact CZ-CB 4.49Å; F355-V413 HydrophobicContact CZ-CG1 4.34Å; V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.3Å; V409-V413 PolarHBondContact O-N 3.08Å; S410-V413 PolarHBondContact O-N 3.49Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 2.84Å; V413-V415 PolarHBondContact O-N 3.38Å; V413-V416 PolarHBondContact O-N 3.25Å; V413-V416 VanDerWaalsContact O-N 3.15Å; V413-T417 HydrophobicContact CG1-CG2 4.28Å; V413-T417 WeakPolarHBondContact O-CG2 3.38Å; V413-T417 PolarHBondContact O-N 2.89Å; V413-F575 HydrophobicContact CG1-CB 4.21Å; V413-F575 HydrophobicContact CG1-CD1 4.12Å; V413-F575 HydrophobicContact CG1-CD2 3.33Å; V413-F575 HydrophobicContact CG1-CE1 4.32Å; V413-F575 HydrophobicContact CG1-CE2 3.56Å; V413-F575 HydrophobicContact CG1-CG 3.63Å; V413-F575 HydrophobicContact CG1-CZ 4.06Å; V413-F575 HydrophobicContact CG2-CD1 4.18Å; V413-F575 HydrophobicContact CG2-CE1 3.85Å; V413-F575 HydrophobicContact CG2-CE2 4.23Å; V413-F575 HydrophobicContact CG2-CZ 3.87Å
414	T	92.1	Very high	90.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-40.9	-180	56.9	0	0	0	0	112	V354 F355 K364 S410 I411 V416 T417 L418	V354-T414 HydrophobicContact CG1-CG2 3.43Å; V354-T414 VanDerWaalsContact CG1-CG2 3.43Å; F355-T414 HydrophobicContact CE1-CG2 4.17Å; K364-T414 HydrophobicContact CD-CG2 4.46Å; K364-T414 HydrophobicContact CG-CG2 4.39Å; S410-T414 WeakPolarHBondContact O-CG2 3.16Å; S410-T414 PolarHBondContact O-N 2.98Å; S410-T414 PolarHBondContact O-OG1 2.92Å; I411-T414 PolarHBondContact O-N 2.82Å; I411-T414 PolarHBondContact O-OG1 2.81Å; I411-T414 VanDerWaalsContact O-OG1 3.06Å; T414-V416 VanDerWaalsContact C-N 3.33Å; T414-V416 PolarHBondContact O-N 2.86Å; T414-T417 WeakPolarHBondContact CA-OG1 3.41Å; T414-T417 PolarHBondContact O-N 3.48Å; T414-T417 PolarHBondContact O-OG1 2.94Å; T414-L418 WeakPolarHBondContact O-CB 3.17Å; T414-L418 VanDerWaalsContact O-CG 3.3Å; T414-L418 WeakPolarHBondContact O-CG 3.22Å; T414-L418 PolarHBondContact O-N 3.35Å
415	V	93.3	Very high	89.8	Confident	77 Å²	77	44.4 Å²	44.4	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-57.7	-44.5	172.2	172.1	0	0	0	0	111.3	I411 V413 L418 D419	I411-V415 WeakPolarHBondContact O-CG2 3.17Å; I411-V415 PolarHBondContact O-N 2.04Å; I411-V415 VanDerWaalsContact O-N 3.08Å; V413-V415 PolarHBondContact O-N 3.38Å; V415-L418 PolarHBondContact O-N 2.97Å; V415-D419 PolarHBondContact O-N 3.2Å
416	V	92.1	Very high	89.1	Confident	82 Å²	82	45.2 Å²	45.2	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-39.3	176.2	171.3	0	0	0	0	112.4	T412 V413 T414 L418 I420	T412-V416 WeakPolarHBondContact O-CG2 3.41Å; T412-V416 PolarHBondContact O-N 2.95Å; T412-V416 VanDerWaalsContact O-N 3.14Å; V413-V416 PolarHBondContact O-N 3.25Å; V413-V416 VanDerWaalsContact O-N 3.15Å; T414-V416 VanDerWaalsContact C-N 3.33Å; T414-V416 PolarHBondContact O-N 2.86Å; V416-L418 VanDerWaalsContact C-N 3.32Å; V416-L418 PolarHBondContact O-N 2.76Å; V416-I420 HydrophobicContact CG1-CD1 3.83Å; V416-I420 WeakPolarHBondContact O-CB 3.29Å; V416-I420 VanDerWaalsContact O-CG1 3.27Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.89Å
417	T	91.2	Very high	88.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-37.2	175	59.7	0	0	0	0	112.2	K364 V413 T414 I420 N421 I571	K364-T417 PolarHBondContact NZ-OG1 3.48Å; V413-T417 HydrophobicContact CG1-CG2 4.28Å; V413-T417 WeakPolarHBondContact O-CG2 3.38Å; V413-T417 PolarHBondContact O-N 2.89Å; T414-T417 WeakPolarHBondContact CA-OG1 3.41Å; T414-T417 PolarHBondContact O-N 3.48Å; T414-T417 PolarHBondContact O-OG1 2.94Å; T417-I420 PolarHBondContact O-N 2.94Å; T417-N421 WeakPolarHBondContact O-CB 3.33Å; T417-N421 PolarHBondContact O-N 2.84Å; T417-I571 HydrophobicContact CG2-CB 4.24Å; T417-I571 HydrophobicContact CG2-CG2 3.59Å
418	L	91.6	Very high	88.3	Confident	20 Å²	20	52.1 Å²	52.1	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-74.8	-39.2	-179.1	-71.9	165.4	0	0	0	111.5	A359 K364 I365 T414 V415 V416 N421 H422	A359-L418 HydrophobicContact CB-CD2 3.82Å; K364-L418 HydrophobicContact CD-CD2 4.45Å; I365-L418 HydrophobicContact CD1-CD1 3.66Å; I365-L418 HydrophobicContact CG1-CD1 3.39Å; T414-L418 WeakPolarHBondContact O-CB 3.17Å; T414-L418 VanDerWaalsContact O-CG 3.3Å; T414-L418 WeakPolarHBondContact O-CG 3.22Å; T414-L418 PolarHBondContact O-N 3.35Å; V415-L418 PolarHBondContact O-N 2.97Å; V416-L418 VanDerWaalsContact C-N 3.32Å; V416-L418 PolarHBondContact O-N 2.76Å; L418-N421 PolarHBondContact O-N 3.04Å; L418-H422 PolarHBondContact O-N 2.87Å; L418-H422 VanDerWaalsContact O-N 3.13Å; L418-H422 PolarHBondContact O-ND1 2.86Å
419	D	91.4	Very high	87.9	Confident	80 Å²	80	58.5 Å²	58.5	43%	0.428	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-51.4	168.1	173.4	85.2	0	0	0	110.5	V415 N421 H422 R423	V415-D419 PolarHBondContact O-N 3.2Å; D419-N421 VanDerWaalsContact C-N 3.29Å; D419-N421 PolarHBondContact O-N 3.02Å; D419-H422 PolarHBondContact O-N 2.89Å; D419-H422 VanDerWaalsContact O-N 3.1Å; D419-R423 WeakPolarHBondContact O-CG 3.38Å; D419-R423 PolarHBondContact O-N 2.86Å; D419-R423 IonicContact OD2-CZ 2.84Å; D419-R423 IonicContact OD2-NE 2.66Å; D419-R423 PolarHBondContact OD2-NE 3.47Å; D419-R423 IonicContact OD2-NH2 3.16Å; D419-R423 PolarHBondContact OD2-NH2 2.74Å
420	I	89.4	Confident	87.5	Confident	15 Å²	15	56.6 Å²	56.6	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-36.7	179.3	-69.8	170.8	0	0	0	112.2	V416 T417 H422 R423 M434 W564 V567 A568 I571	V416-I420 HydrophobicContact CG1-CD1 3.83Å; V416-I420 WeakPolarHBondContact O-CB 3.29Å; V416-I420 VanDerWaalsContact O-CG1 3.27Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.89Å; T417-I420 PolarHBondContact O-N 2.94Å; I420-H422 VanDerWaalsContact C-N 3.34Å; I420-R423 PolarHBondContact O-N 2.9Å; I420-M434 HydrophobicContact CD1-CE 4.29Å; I420-M434 HydrophobicContact CG2-CE 4.16Å; I420-W564 HydrophobicContact CG2-CE3 4.04Å; I420-W564 HydrophobicContact CG2-CZ3 4.4Å; I420-V567 HydrophobicContact CG2-CG1 4.3Å; I420-A568 HydrophobicContact CG2-CB 4.26Å; I420-I571 HydrophobicContact CD1-CD1 3.62Å; I420-I571 HydrophobicContact CG2-CD1 4.18Å
421	N	89.3	Confident	87.3	Confident	20 Å²	20	58.7 Å²	58.7	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-71.2	-24.9	177.8	-160.3	107	0	0	0	113.5	A359 T417 L418 D419 A568	A359-N421 HydrophobicContact CB-CB 3.95Å; A359-N421 VanDerWaalsContact CB-OD1 3.27Å; A359-N421 WeakPolarHBondContact CB-OD1 3.27Å; T417-N421 WeakPolarHBondContact O-CB 3.33Å; T417-N421 PolarHBondContact O-N 2.84Å; L418-N421 PolarHBondContact O-N 3.04Å; D419-N421 VanDerWaalsContact C-N 3.29Å; D419-N421 PolarHBondContact O-N 3.02Å; N421-A568 HydrophobicContact CB-CB 3.7Å
422	H	87.2	Confident	86.9	Confident	136 Å²	136	68.3 Å²	68.3	63%	0.63	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	11.1	179.5	-66.2	82.9	0	0	0	112.7	L418 D419 I420 D424	L418-H422 PolarHBondContact O-N 2.87Å; L418-H422 VanDerWaalsContact O-N 3.13Å; L418-H422 PolarHBondContact O-ND1 2.86Å; D419-H422 PolarHBondContact O-N 2.89Å; D419-H422 VanDerWaalsContact O-N 3.1Å; I420-H422 VanDerWaalsContact C-N 3.34Å; H422-D424 PolarHBondContact O-N 3.29Å
423	R	87	Confident	86.8	Confident	64 Å²	64	71.9 Å²	71.9	24%	0.242	36%	0.36	C	S	.	.			trans	-79.5	116.7	172.7	-73.3	173.4	-171.6	-144.9	-2.6	110.3	D419 I420 H428 W564	D419-R423 WeakPolarHBondContact O-CG 3.38Å; D419-R423 PolarHBondContact O-N 2.86Å; D419-R423 IonicContact OD2-CZ 2.84Å; D419-R423 IonicContact OD2-NE 2.66Å; D419-R423 PolarHBondContact OD2-NE 3.47Å; D419-R423 IonicContact OD2-NH2 3.16Å; D419-R423 PolarHBondContact OD2-NH2 2.74Å; I420-R423 PolarHBondContact O-N 2.9Å; R423-H428 HydrophobicContact CB-CB 4.31Å; R423-H428 HydrophobicContact CG-CB 4.34Å; R423-W564 HydrophobicContact CB-CD2 3.73Å; R423-W564 HydrophobicContact CB-CE3 4Å; R423-W564 HydrophobicContact CB-CG 4Å; R423-W564 HydrophobicContact CB-CZ2 4.39Å; R423-W564 HydrophobicContact CB-CZ3 4.44Å; R423-W564 WeakPolarHBondContact O-CB 3.44Å
424	D	78.7	Confident	86.5	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.273	36%	0.359	S	S	.	.			trans	-98.7	157.9	173.1	173.5	51.1	0	0	0	112.1	H422 A426 T427 H428	H422-D424 PolarHBondContact O-N 3.29Å; D424-A426 PolarHBondContact O-N 3.03Å; D424-A426 VanDerWaalsContact OD2-CB 3.26Å; D424-A426 WeakPolarHBondContact OD2-CB 3.3Å; D424-A426 PolarHBondContact OD2-N 2.95Å; D424-A426 VanDerWaalsContact OD2-N 3.11Å; D424-T427 PolarHBondContact N-OG1 3.16Å; D424-T427 PolarHBondContact O-N 2.91Å; D424-T427 PolarHBondContact O-OG1 2.75Å; D424-H428 PolarHBondContact O-N 3Å
425	G	71.1	Confident	86.2	Confident	18 Å²	18	76 Å²	76	19%	0.186	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.9	178.7	0	0	0	0	0	114.7	T427	G425-T427 VanDerWaalsContact C-N 3.3Å; G425-T427 PolarHBondContact O-N 2.81Å
426	A	76.4	Confident	85.8	Confident	85 Å²	85	79.7 Å²	79.7	70%	0.702	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.7	172.6	0	0	0	0	0	113.1	D424	D424-A426 PolarHBondContact O-N 3.03Å; D424-A426 VanDerWaalsContact OD2-CB 3.26Å; D424-A426 WeakPolarHBondContact OD2-CB 3.3Å; D424-A426 PolarHBondContact OD2-N 2.95Å; D424-A426 VanDerWaalsContact OD2-N 3.11Å
427	T	82.9	Confident	85.6	Confident	90 Å²	90	78 Å²	78	55%	0.552	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-45	-173.7	69.8	0	0	0	0	113.2	D424 G425	D424-T427 PolarHBondContact N-OG1 3.16Å; D424-T427 PolarHBondContact O-N 2.91Å; D424-T427 PolarHBondContact O-OG1 2.75Å; G425-T427 VanDerWaalsContact C-N 3.3Å; G425-T427 PolarHBondContact O-N 2.81Å
428	H	85.1	Confident	85.5	Confident	79 Å²	79	79.2 Å²	79.2	37%	0.366	37%	0.373	S	S	.	.			trans	-137.5	122.5	-167.7	-72	90.2	0	0	0	112.1	R423 D424 M430 W564	R423-H428 HydrophobicContact CB-CB 4.31Å; R423-H428 HydrophobicContact CG-CB 4.34Å; D424-H428 PolarHBondContact O-N 3Å; H428-M430 PolarHBondContact O-N 2.74Å; H428-W564 HydrophobicContact CB-CH2 4.23Å; H428-W564 HydrophobicContact CB-CZ2 3.65Å; H428-W564 WeakPolarHBondContact O-CZ2 3.48Å; H428-W564 PolarHBondContact O-NE1 2.77Å
429	K	83.3	Confident	85	Confident	199 Å²	199	79 Å²	79	87%	0.865	37%	0.372	S	S	*	.			trans	-84.9	113.5	171.5	-70.2	172.3	-176	163.5	0	109.7	P431	K429-P431 WeakPolarHBondContact O-CD 3.1Å
430	M	84.9	Confident	84.4	Confident	31 Å²	31	76.8 Å²	76.8	15%	0.153	36%	0.363	C	S	.	.			trans	-56.9	120.1	179.5	-167.1	-165	-164.3	0	0	111.2	H428 M434 R435 L439 W564 V567	H428-M430 PolarHBondContact O-N 2.74Å; M430-M434 HydrophobicContact CE-CB 4.35Å; M430-M434 HydrophobicContact CE-CG 3.94Å; M430-M434 HydrophobicContact CG-SD 4.46Å; M430-R435 HydrophobicContact CE-CB 4.07Å; M430-R435 HydrophobicContact CE-CG 4.35Å; M430-R435 HydrophobicContact SD-CB 3.67Å; M430-R435 HydrophobicContact SD-CG 3.74Å; M430-L439 HydrophobicContact CE-CG 4.33Å; M430-W564 HydrophobicContact CB-CH2 4.28Å; M430-W564 HydrophobicContact CB-CZ2 3.84Å; M430-W564 HydrophobicContact CG-CH2 4.33Å; M430-W564 HydrophobicContact CG-CZ2 4.33Å; M430-V567 HydrophobicContact CE-CB 4.49Å; M430-V567 HydrophobicContact CE-CG2 3.4Å; M430-V567 VanDerWaalsContact CE-CG2 3.4Å
431	P	87.5	Confident	84.1	Confident	47 Å²	47	81.7 Å²	81.7	31%	0.305	38%	0.384	S	S	.	.			trans	-74.5	146.9	-176.4	28.4	-32.4	0	0	0	111.6	K429 W433 M434 R435	K429-P431 WeakPolarHBondContact O-CD 3.1Å; P431-W433 VanDerWaalsContact C-N 3.26Å; P431-W433 HydrophobicContact CG-CZ2 4.24Å; P431-W433 PolarHBondContact O-N 2.88Å; P431-W433 VanDerWaalsContact O-N 3.13Å; P431-M434 HydrophobicContact CG-CB 3.79Å; P431-M434 HydrophobicContact CG-SD 4.28Å; P431-M434 WeakPolarHBondContact O-CB 3.4Å; P431-M434 PolarHBondContact O-N 2.95Å; P431-R435 PolarHBondContact O-N 3.41Å; P431-R435 VanDerWaalsContact O-N 3.1Å
432	R	85.2	Confident	83.9	Confident	238 Å²	238	81.6 Å²	81.6	90%	0.898	38%	0.383	S	S	*	.	H	α-helix	trans	-55.2	-36.7	-172.5	-67.4	-177.8	178.6	177	-0.5	113.8	R435 W436	R432-R435 PolarHBondContact O-N 3.13Å; R432-W436 PolarHBondContact O-N 2.9Å
433	W	89.8	Confident	83.7	Confident	162 Å²	162	75.4 Å²	75.4	61%	0.614	36%	0.355	S	S	*	.	H	α-helix	trans	-65.7	-38.6	177.7	69.8	-101.2	0	0	0	112.1	P431 W436 L437 F438	P431-W433 VanDerWaalsContact C-N 3.26Å; P431-W433 HydrophobicContact CG-CZ2 4.24Å; P431-W433 PolarHBondContact O-N 2.88Å; P431-W433 VanDerWaalsContact O-N 3.13Å; W433-W436 PolarHBondContact O-N 3.06Å; W433-L437 HydrophobicContact CE3-CD2 4.49Å; W433-L437 HydrophobicContact CZ3-CD2 4.27Å; W433-L437 VanDerWaalsContact O-CB 3.29Å; W433-L437 WeakPolarHBondContact O-CB 2.77Å; W433-L437 PolarHBondContact O-N 2.94Å; W433-F438 HydrophobicContact CZ3-CE2 4.25Å
434	M	87.7	Confident	83.4	Confident	12 Å²	12	81.7 Å²	81.7	6%	0.059	38%	0.379	C	S	.	.	H	α-helix	trans	-69.7	-42.1	179	-170.6	176.8	-176.5	0	0	110	I420 M430 P431 W436 L437 F438 W564 V567	I420-M434 HydrophobicContact CD1-CE 4.29Å; I420-M434 HydrophobicContact CG2-CE 4.16Å; M430-M434 HydrophobicContact CE-CB 4.35Å; M430-M434 HydrophobicContact CE-CG 3.94Å; M430-M434 HydrophobicContact CG-SD 4.46Å; P431-M434 HydrophobicContact CG-CB 3.79Å; P431-M434 HydrophobicContact CG-SD 4.28Å; P431-M434 WeakPolarHBondContact O-CB 3.4Å; P431-M434 PolarHBondContact O-N 2.95Å; M434-W436 PolarHBondContact O-N 3.16Å; M434-L437 PolarHBondContact O-N 2.86Å; M434-F438 HydrophobicContact CB-CD2 4.4Å; M434-F438 HydrophobicContact CG-CD2 3.56Å; M434-F438 HydrophobicContact CG-CE2 3.97Å; M434-F438 WeakPolarHBondContact O-CB 3.45Å; M434-F438 WeakPolarHBondContact O-CD2 3.41Å; M434-F438 PolarHBondContact O-N 2.87Å; M434-W564 HydrophobicContact CE-CE3 4.25Å; M434-W564 HydrophobicContact CE-CH2 4.47Å; M434-W564 HydrophobicContact CE-CZ3 3.57Å; M434-W564 HydrophobicContact SD-CH2 4.15Å; M434-W564 HydrophobicContact SD-CZ3 3.81Å; M434-V567 HydrophobicContact CE-CG1 3.62Å
435	R	84.7	Confident	83.7	Confident	91 Å²	91	85.5 Å²	85.5	34%	0.343	40%	0.399	S	S	.	.	I	π-helix	trans	-62.3	-41.5	174.8	-158.8	-179	-109.3	173.7	0.6	111.7	M430 P431 R432 L439 E563	M430-R435 HydrophobicContact CE-CB 4.07Å; M430-R435 HydrophobicContact CE-CG 4.35Å; M430-R435 HydrophobicContact SD-CB 3.67Å; M430-R435 HydrophobicContact SD-CG 3.74Å; P431-R435 PolarHBondContact O-N 3.41Å; P431-R435 VanDerWaalsContact O-N 3.1Å; R432-R435 PolarHBondContact O-N 3.13Å; R435-L439 HydrophobicContact CG-CD1 3.55Å; R435-L439 HydrophobicContact CG-CG 4.12Å; R435-L439 VanDerWaalsContact O-CB 3.3Å; R435-L439 WeakPolarHBondContact O-CB 3.4Å; R435-L439 PolarHBondContact O-N 2.84Å; R435-L439 VanDerWaalsContact O-N 3.15Å; R435-E563 IonicContact CZ-OE1 2.72Å; R435-E563 IonicContact CZ-OE2 3.85Å; R435-E563 IonicContact NE-OE1 2.64Å; R435-E563 IonicContact NE-OE2 3.56Å; R435-E563 PolarHBondContact NE-OE2 2.92Å; R435-E563 IonicContact NH2-OE1 3.11Å; R435-E563 IonicContact NH2-OE2 3.73Å; R435-E563 PolarHBondContact NH2-OE2 2.94Å
436	W	86.2	Confident	84.2	Confident	153 Å²	153	85.3 Å²	85.3	58%	0.58	39%	0.393	S	S	*	.	I	π-helix	trans	-64.4	-47.2	174.1	178.6	83.9	0	0	0	112.5	R432 W433 M434 S440 K441	R432-W436 PolarHBondContact O-N 2.9Å; W433-W436 PolarHBondContact O-N 3.06Å; M434-W436 PolarHBondContact O-N 3.16Å; W436-S440 WeakPolarHBondContact O-CA 3.41Å; W436-S440 VanDerWaalsContact O-CB 3.29Å; W436-S440 WeakPolarHBondContact O-CB 3.38Å; W436-S440 PolarHBondContact O-N 2.62Å; W436-S440 PolarHBondContact O-OG 3.42Å; W436-K441 HydrophobicContact CH2-CD 3.8Å; W436-K441 HydrophobicContact CZ2-CD 4.3Å; W436-K441 HydrophobicContact CZ3-CD 4.08Å; W436-K441 PolarHBondContact O-N 2.97Å; W436-K441 VanDerWaalsContact O-N 3.17Å
437	L	87.9	Confident	84.4	Confident	47 Å²	47	91.7 Å²	91.7	25%	0.246	40%	0.399	C	S	.	.	I	π-helix	trans	-68.2	-54.7	-176.5	-177	61.3	0	0	0	112.1	W433 M434 K441 L442	W433-L437 HydrophobicContact CE3-CD2 4.49Å; W433-L437 HydrophobicContact CZ3-CD2 4.27Å; W433-L437 VanDerWaalsContact O-CB 3.29Å; W433-L437 WeakPolarHBondContact O-CB 2.77Å; W433-L437 PolarHBondContact O-N 2.94Å; M434-L437 PolarHBondContact O-N 2.86Å; L437-K441 HydrophobicContact CD1-CD 4.46Å; L437-K441 PolarHBondContact O-N 3.46Å; L437-L442 HydrophobicContact CD1-CD1 4.18Å; L437-L442 HydrophobicContact CD1-CG 4.19Å; L437-L442 HydrophobicContact CG-CD1 3.9Å; L437-L442 HydrophobicContact CG-CG 4.39Å; L437-L442 PolarHBondContact O-N 2.75Å
438	F	87.6	Confident	84.2	Confident	26 Å²	26	88.7 Å²	88.7	11%	0.114	38%	0.379	C	S	.	.	I	π-helix	trans	-89.2	-25.6	-169.7	-67.4	-79.5	0	0	0	115	W433 M434 L442 P443 V567 V570 I571	W433-F438 HydrophobicContact CZ3-CE2 4.25Å; M434-F438 HydrophobicContact CB-CD2 4.4Å; M434-F438 HydrophobicContact CG-CD2 3.56Å; M434-F438 HydrophobicContact CG-CE2 3.97Å; M434-F438 WeakPolarHBondContact O-CB 3.45Å; M434-F438 WeakPolarHBondContact O-CD2 3.41Å; M434-F438 PolarHBondContact O-N 2.87Å; F438-L442 HydrophobicContact CD1-CD1 3.42Å; F438-L442 VanDerWaalsContact CD1-CD1 3.42Å; F438-L442 HydrophobicContact CE1-CD1 3.46Å; F438-L442 VanDerWaalsContact CE1-CD1 3.46Å; F438-L442 HydrophobicContact CG-CD1 4.18Å; F438-L442 HydrophobicContact CZ-CD1 4.3Å; F438-P443 WeakPolarHBondContact O-CD 3.44Å; F438-P443 WeakPolarHBondContact O-CG 3.37Å; F438-V567 HydrophobicContact CB-CB 4.33Å; F438-V567 HydrophobicContact CB-CG1 3.72Å; F438-V567 HydrophobicContact CB-CG2 3.92Å; F438-V567 HydrophobicContact CD1-CG1 4.2Å; F438-V567 HydrophobicContact CD2-CG1 4.12Å; F438-V567 HydrophobicContact CG-CG1 3.76Å; F438-V570 HydrophobicContact CD1-CB 4.49Å; F438-V570 HydrophobicContact CD1-CG1 3.93Å; F438-I571 HydrophobicContact CD1-CD1 4.47Å; F438-I571 HydrophobicContact CD1-CG1 3.78Å; F438-I571 HydrophobicContact CE1-CD1 4.08Å; F438-I571 HydrophobicContact CE1-CG1 3.32Å; F438-I571 HydrophobicContact CZ-CD1 4.27Å; F438-I571 HydrophobicContact CZ-CG1 3.93Å
439	L	81.2	Confident	83.7	Confident	14 Å²	14	92.3 Å²	92.3	7%	0.073	40%	0.401	C	S	.	.	I	π-helix	trans	-93.3	-30.3	172.7	-53.3	-171.8	0	0	0	112.9	M430 R435 M450 E563 Y566 V567	M430-L439 HydrophobicContact CE-CG 4.33Å; R435-L439 HydrophobicContact CG-CD1 3.55Å; R435-L439 HydrophobicContact CG-CG 4.12Å; R435-L439 VanDerWaalsContact O-CB 3.3Å; R435-L439 WeakPolarHBondContact O-CB 3.4Å; R435-L439 PolarHBondContact O-N 2.84Å; R435-L439 VanDerWaalsContact O-N 3.15Å; L439-M450 HydrophobicContact CB-CE 4.29Å; L439-M450 HydrophobicContact CD1-CE 4.04Å; L439-E563 VanDerWaalsContact CD1-CD 3.46Å; L439-E563 HydrophobicContact CD1-CG 4.02Å; L439-E563 VanDerWaalsContact CD1-OE1 3.28Å; L439-E563 WeakPolarHBondContact CD1-OE1 3.49Å; L439-Y566 HydrophobicContact CD2-CD1 3.58Å; L439-Y566 HydrophobicContact CD2-CE1 4.11Å; L439-V567 HydrophobicContact CD2-CG2 3.6Å; L439-V567 HydrophobicContact CG-CG2 4.39Å
440	S	79.2	Confident	82.9	Confident	35 Å²	35	86 Å²	86	25%	0.245	38%	0.376	C	S	.	.	I	π-helix	trans	-108.6	-35.1	-172	98.4	0	0	0	0	115.4	W436 R444	W436-S440 WeakPolarHBondContact O-CA 3.41Å; W436-S440 VanDerWaalsContact O-CB 3.29Å; W436-S440 WeakPolarHBondContact O-CB 3.38Å; W436-S440 PolarHBondContact O-N 2.62Å; W436-S440 PolarHBondContact O-OG 3.42Å; S440-R444 VanDerWaalsContact O-CZ 3.24Å; S440-R444 PolarHBondContact O-NE 2.94Å; S440-R444 PolarHBondContact O-NH2 2.85Å
441	K	82.4	Confident	81.8	Confident	117 Å²	117	88 Å²	88	51%	0.509	39%	0.391	S	S	.	.	I	π-helix	trans	-98.8	-52.2	-172.6	-166.3	177.4	-179.5	-176.2	0	112.5	W436 L437 L445	W436-K441 HydrophobicContact CH2-CD 3.8Å; W436-K441 HydrophobicContact CZ2-CD 4.3Å; W436-K441 HydrophobicContact CZ3-CD 4.08Å; W436-K441 PolarHBondContact O-N 2.97Å; W436-K441 VanDerWaalsContact O-N 3.17Å; L437-K441 HydrophobicContact CD1-CD 4.46Å; L437-K441 PolarHBondContact O-N 3.46Å; K441-L445 PolarHBondContact O-N 3.33Å
442	L	85.6	Confident	80.3	Confident	18 Å²	18	94.4 Å²	94.4	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-67.9	-40.8	-177	-71.8	168.8	0	0	0	114.4	L437 F438 R444 L445 L446 V570 L574	L437-L442 HydrophobicContact CD1-CD1 4.18Å; L437-L442 HydrophobicContact CD1-CG 4.19Å; L437-L442 HydrophobicContact CG-CD1 3.9Å; L437-L442 HydrophobicContact CG-CG 4.39Å; L437-L442 PolarHBondContact O-N 2.75Å; F438-L442 HydrophobicContact CD1-CD1 3.42Å; F438-L442 VanDerWaalsContact CD1-CD1 3.42Å; F438-L442 HydrophobicContact CE1-CD1 3.46Å; F438-L442 VanDerWaalsContact CE1-CD1 3.46Å; F438-L442 HydrophobicContact CG-CD1 4.18Å; F438-L442 HydrophobicContact CZ-CD1 4.3Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.8Å; L442-L445 HydrophobicContact CD2-CD2 4.5Å; L442-L445 WeakPolarHBondContact O-CB 3.21Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-L446 HydrophobicContact CB-CD1 4.27Å; L442-L446 WeakPolarHBondContact O-CB 3.33Å; L442-L446 VanDerWaalsContact O-CG 3.32Å; L442-L446 WeakPolarHBondContact O-CG 3.13Å; L442-L446 PolarHBondContact O-N 3.39Å; L442-V570 HydrophobicContact CB-CG1 3.71Å; L442-V570 HydrophobicContact CD1-CG1 4.33Å; L442-L574 HydrophobicContact CD1-CD2 4.24Å; L442-L574 HydrophobicContact CD2-CD1 4.41Å; L442-L574 HydrophobicContact CD2-CD2 4.36Å
443	P	82.9	Confident	78.9	Confident	6 Å²	6	89 Å²	89	4%	0.039	40%	0.396	C	S	.	.	H	α-helix	trans	-61.2	-37.2	179.5	-28.6	38.6	0	0	0	113.4	F438 L445 L446 R447 M448 Y566 V570	F438-P443 WeakPolarHBondContact O-CD 3.44Å; F438-P443 WeakPolarHBondContact O-CG 3.37Å; P443-L445 VanDerWaalsContact C-N 3.34Å; P443-L445 PolarHBondContact O-N 3.32Å; P443-L446 PolarHBondContact O-N 3.46Å; P443-R447 WeakPolarHBondContact O-CA 3.46Å; P443-R447 PolarHBondContact O-N 2.78Å; P443-M448 HydrophobicContact CB-CB 4.17Å; P443-M448 PolarHBondContact O-N 2.86Å; P443-Y566 HydrophobicContact CG-CE1 3.97Å; P443-V570 HydrophobicContact CG-CG1 4.45Å; P443-V570 HydrophobicContact CG-CG2 4.01Å
444	R	80.9	Confident	77.2	Confident	196 Å²	196	84.2 Å²	84.2	74%	0.74	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-35.2	173.8	-80.9	-173	-78.1	-175.1	-6.5	112.8	S440 L442	S440-R444 VanDerWaalsContact O-CZ 3.24Å; S440-R444 PolarHBondContact O-NE 2.94Å; S440-R444 PolarHBondContact O-NH2 2.85Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.8Å
445	L	85.3	Confident	75.3	Confident	132 Å²	132	89.3 Å²	89.3	69%	0.691	42%	0.418	S	S	*	.	H	α-helix	trans	-73.8	-44.2	174.7	-178.4	63.6	0	0	0	111.8	K441 L442 P443 R447	K441-L445 PolarHBondContact O-N 3.33Å; L442-L445 HydrophobicContact CD2-CD2 4.5Å; L442-L445 WeakPolarHBondContact O-CB 3.21Å; L442-L445 PolarHBondContact O-N 3.47Å; P443-L445 VanDerWaalsContact C-N 3.34Å; P443-L445 PolarHBondContact O-N 3.32Å; L445-R447 VanDerWaalsContact C-N 3.29Å; L445-R447 PolarHBondContact O-N 2.93Å
446	L	82.4	Confident	73.8	Confident	13 Å²	13	87.3 Å²	87.3	7%	0.068	42%	0.416	C	S	.	.	H	α-helix	trans	-80.9	-4.9	-174.5	-63.9	170.7	0	0	0	113.9	L442 P443 M448 V570 R573 L574 I577	L442-L446 HydrophobicContact CB-CD1 4.27Å; L442-L446 WeakPolarHBondContact O-CB 3.33Å; L442-L446 VanDerWaalsContact O-CG 3.32Å; L442-L446 WeakPolarHBondContact O-CG 3.13Å; L442-L446 PolarHBondContact O-N 3.39Å; P443-L446 PolarHBondContact O-N 3.46Å; L446-M448 HydrophobicContact CB-CG 4.39Å; L446-V570 HydrophobicContact CD1-CG1 3.97Å; L446-R573 HydrophobicContact CD1-CB 4.48Å; L446-R573 VanDerWaalsContact O-CZ 3.28Å; L446-R573 PolarHBondContact O-NE 3.47Å; L446-R573 PolarHBondContact O-NH2 3.02Å; L446-L574 HydrophobicContact CD1-CB 4.24Å; L446-L574 HydrophobicContact CD2-CD1 4.44Å; L446-I577 HydrophobicContact CD2-CD1 3.62Å
447	R	79.1	Confident	72.2	Confident	220 Å²	220	82.1 Å²	82.1	83%	0.83	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	50.6	-170.4	-58.2	-178	-179.5	176.9	-0.3	112.4	P443 L445 R573	P443-R447 WeakPolarHBondContact O-CA 3.46Å; P443-R447 PolarHBondContact O-N 2.78Å; L445-R447 VanDerWaalsContact C-N 3.29Å; L445-R447 PolarHBondContact O-N 2.93Å; R447-R573 PolarHBondContact O-NH2 3.39Å
448	M	79.5	Confident	70.6	Confident	27 Å²	27	87 Å²	87	13%	0.133	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-98	131.5	166.3	-70.6	175.9	74.5	0	0	109.4	P443 L446 Y566 V570 R573	P443-M448 HydrophobicContact CB-CB 4.17Å; P443-M448 PolarHBondContact O-N 2.86Å; L446-M448 HydrophobicContact CB-CG 4.39Å; M448-Y566 HydrophobicContact CE-CE2 4.03Å; M448-V570 HydrophobicContact CE-CG2 3.79Å; M448-V570 HydrophobicContact SD-CB 4.3Å; M448-V570 HydrophobicContact SD-CG2 3.71Å; M448-R573 HydrophobicContact SD-CB 4.15Å; M448-R573 WeakPolarHBondContact SD-CD 3.09Å; M448-R573 HydrophobicContact SD-CG 4.43Å
449	N	73.3	Confident	69.1	Low	155 Å²	155	88.9 Å²	88.9	83%	0.829	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-67.2	138.2	162.2	-66.6	-17.1	0	0	0	108	Y566	N449-Y566 WeakPolarHBondContact O-CE2 3.25Å; N449-Y566 PolarHBondContact O-OH 2.95Å
450	M	67.9	Low	68.2	Low	67 Å²	67	89.6 Å²	89.6	33%	0.33	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-80.4	136.7	165.6	-168	178.7	174	0	0	107.5	L439 H452 R453 Y566	L439-M450 HydrophobicContact CB-CE 4.29Å; L439-M450 HydrophobicContact CD1-CE 4.04Å; M450-H452 PolarHBondContact O-N 2.95Å; M450-R453 HydrophobicContact CE-CG 4.32Å; M450-Y566 WeakPolarHBondContact CA-OH 3.5Å; M450-Y566 HydrophobicContact CG-CE1 4.41Å
451	P	62.4	Low	67.4	Low	72 Å²	72	92.9 Å²	92.9	47%	0.468	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-53.2	135.2	165.4	24.6	-33.6	0	0	0	107.7	R453 Y566	P451-R453 PolarHBondContact O-N 2.95Å; P451-R453 VanDerWaalsContact O-N 3.1Å; P451-Y566 VanDerWaalsContact CD-CD2 3.41Å; P451-Y566 HydrophobicContact CG-CD2 4.05Å; P451-Y566 HydrophobicContact CG-CE2 4.4Å
452	H	55.9	Low	66.5	Low	182 Å²	182	93 Å²	93	84%	0.843	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-55.1	124.7	176.3	-94.3	29.4	0	0	0	108.1	M450 P454	M450-H452 PolarHBondContact O-N 2.95Å; H452-P454 WeakPolarHBondContact O-CD 3.47Å
453	R	55.8	Low	65.4	Low	124 Å²	124	96 Å²	96	47%	0.468	46%	0.463	S	S	.	.			trans	-56.1	115.2	163.3	-80.6	-175.8	171	153.7	2	106.1	M450 P451 M457 E563	M450-R453 HydrophobicContact CE-CG 4.32Å; P451-R453 PolarHBondContact O-N 2.95Å; P451-R453 VanDerWaalsContact O-N 3.1Å; R453-M457 HydrophobicContact CG-SD 4.37Å; R453-E563 IonicContact NE-OE1 4Å; R453-E563 IonicContact NH2-OE1 2.9Å; R453-E563 PolarHBondContact NH2-OE1 2.83Å
454	P	53	Low	64.7	Low	62 Å²	62	102.4 Å²	102.4	40%	0.403	49%	0.486	S	S	.	.			trans	-60.7	146.2	175.7	26.5	-33.8	0	0	0	108	H452 T456 M457 M559	H452-P454 WeakPolarHBondContact O-CD 3.47Å; P454-T456 WeakPolarHBondContact CB-OG1 3.37Å; P454-T456 VanDerWaalsContact CG-OG1 3.25Å; P454-T456 WeakPolarHBondContact CG-OG1 3.3Å; P454-T456 PolarHBondContact O-N 2.68Å; P454-M457 PolarHBondContact O-N 3.2Å; P454-M559 HydrophobicContact CG-CE 3.64Å; P454-M559 HydrophobicContact CG-SD 3.94Å
455	T	48.9	Very low	64.1	Low	118 Å²	118	97.9 Å²	97.9	72%	0.724	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.5	178.9	-6.6	0	0	0	0	112.2	M457 E458 S459	T455-M457 PolarHBondContact O-N 2.92Å; T455-E458 PolarHBondContact O-N 3.4Å; T455-S459 PolarHBondContact O-N 2.69Å; T455-S459 VanDerWaalsContact O-N 3.15Å
456	T	52.2	Low	63.1	Low	49 Å²	49	94.5 Å²	94.5	30%	0.301	46%	0.456	S	S	.	.	H	α-helix	trans	-55.4	-29.6	166.4	56.2	0	0	0	0	113.1	P454 E458 S459 W460	P454-T456 WeakPolarHBondContact CB-OG1 3.37Å; P454-T456 VanDerWaalsContact CG-OG1 3.25Å; P454-T456 WeakPolarHBondContact CG-OG1 3.3Å; P454-T456 PolarHBondContact O-N 2.68Å; T456-E458 VanDerWaalsContact C-N 3.3Å; T456-E458 PolarHBondContact O-N 2.98Å; T456-S459 WeakPolarHBondContact CA-OG 3.47Å; T456-S459 CarbonylContact O-C 3.58Å; T456-S459 PolarHBondContact O-N 3.29Å; T456-S459 PolarHBondContact O-OG 2.91Å; T456-W460 WeakPolarHBondContact O-CA 3.36Å; T456-W460 WeakPolarHBondContact O-CB 3.49Å; T456-W460 PolarHBondContact O-N 2.76Å
457	M	52.9	Low	62.2	Low	45 Å²	45	95.8 Å²	95.8	22%	0.222	46%	0.463	C	S	.	.	H	α-helix	trans	-64.5	-35.6	179.4	-149	-167.8	83.8	0	0	112.6	R453 P454 T455 W460 E461 M559	R453-M457 HydrophobicContact CG-SD 4.37Å; P454-M457 PolarHBondContact O-N 3.2Å; T455-M457 PolarHBondContact O-N 2.92Å; M457-W460 WeakPolarHBondContact O-CB 3.11Å; M457-E461 PolarHBondContact O-N 3.04Å; M457-E461 VanDerWaalsContact O-N 3.17Å; M457-M559 HydrophobicContact CB-CE 3.76Å; M457-M559 HydrophobicContact CG-CE 3.82Å
458	E	55.3	Low	61.4	Low	148 Å²	148	90.2 Å²	90.2	69%	0.692	45%	0.448	S	S	*	.	H	α-helix	trans	-76.5	-42.4	173.8	-63.8	-168.4	155.6	0	0	111	T455 T456 W460 E461 Q462	T455-E458 PolarHBondContact O-N 3.4Å; T456-E458 VanDerWaalsContact C-N 3.3Å; T456-E458 PolarHBondContact O-N 2.98Å; E458-W460 PolarHBondContact O-N 2.76Å; E458-E461 PolarHBondContact O-N 3.1Å; E458-Q462 VanDerWaalsContact O-CB 3.27Å; E458-Q462 WeakPolarHBondContact O-CB 3.47Å; E458-Q462 PolarHBondContact O-N 2.9Å
459	S	55.6	Low	60.5	Low	66 Å²	66	94.4 Å²	94.4	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-25.3	173.2	90	0	0	0	0	112.1	T455 T456 Y463	T455-S459 PolarHBondContact O-N 2.69Å; T455-S459 VanDerWaalsContact O-N 3.15Å; T456-S459 WeakPolarHBondContact CA-OG 3.47Å; T456-S459 CarbonylContact O-C 3.58Å; T456-S459 PolarHBondContact O-N 3.29Å; T456-S459 PolarHBondContact O-OG 2.91Å; S459-Y463 WeakPolarHBondContact O-CA 3.45Å; S459-Y463 WeakPolarHBondContact O-CB 3.26Å; S459-Y463 PolarHBondContact O-N 3.08Å
460	W	60.8	Low	59.6	Low	30 Å²	30	92.1 Å²	92.1	11%	0.114	45%	0.453	C	S	.	.	H	α-helix	trans	-72.9	-51.3	176.3	-100	113.2	0	0	0	112.9	T456 M457 E458 Q462 Y463 R464 A552 Y556	T456-W460 WeakPolarHBondContact O-CA 3.36Å; T456-W460 WeakPolarHBondContact O-CB 3.49Å; T456-W460 PolarHBondContact O-N 2.76Å; M457-W460 WeakPolarHBondContact O-CB 3.11Å; E458-W460 PolarHBondContact O-N 2.76Å; W460-Q462 PolarHBondContact O-N 2.97Å; W460-Y463 HydrophobicContact CE3-CD1 4.29Å; W460-Y463 HydrophobicContact CH2-CD1 4.29Å; W460-Y463 HydrophobicContact CH2-CE1 4.45Å; W460-Y463 AromaticContact CZ3-CD1 3.78Å; W460-Y463 HydrophobicContact CZ3-CD1 3.78Å; W460-Y463 HydrophobicContact CZ3-CE1 4.25Å; W460-Y463 PolarHBondContact O-N 2.96Å; W460-R464 WeakPolarHBondContact O-CB 3.22Å; W460-R464 PolarHBondContact O-N 3.46Å; W460-A552 HydrophobicContact CH2-CB 3.27Å; W460-A552 VanDerWaalsContact CH2-O 3.3Å; W460-A552 WeakPolarHBondContact CH2-O 3.27Å; W460-A552 HydrophobicContact CZ2-CB 3.24Å; W460-A552 WeakPolarHBondContact CZ2-O 3.41Å; W460-Y556 HydrophobicContact CD2-CD2 4.32Å; W460-Y556 HydrophobicContact CG-CD2 4.33Å
461	E	63.6	Low	59.2	Low	103 Å²	103	97.8 Å²	97.8	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-60.1	-40	172.1	-84	-151.1	-169.2	0	0	110.7	M457 E458 K465	M457-E461 PolarHBondContact O-N 3.04Å; M457-E461 VanDerWaalsContact O-N 3.17Å; E458-E461 PolarHBondContact O-N 3.1Å; E461-K465 WeakPolarHBondContact O-CB 3.44Å; E461-K465 WeakPolarHBondContact O-CD 3.44Å; E461-K465 WeakPolarHBondContact O-CE 3.49Å; E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 2.99Å; E461-K465 WeakPolarHBondContact OE2-CE 3.43Å; E461-K465 IonicContact OE2-NZ 2.62Å; E461-K465 PolarHBondContact OE2-NZ 3.13Å
462	Q	63.4	Low	58.7	Low	121 Å²	121	104.3 Å²	104.3	57%	0.565	49%	0.486	S	S	*	.	H	α-helix	trans	-63.6	-53.6	176.1	-159.8	75.5	-25.6	0	0	111.3	E458 W460 R464 K465 T466	E458-Q462 VanDerWaalsContact O-CB 3.27Å; E458-Q462 WeakPolarHBondContact O-CB 3.47Å; E458-Q462 PolarHBondContact O-N 2.9Å; W460-Q462 PolarHBondContact O-N 2.97Å; Q462-R464 VanDerWaalsContact C-N 3.31Å; Q462-R464 PolarHBondContact O-N 3.24Å; Q462-K465 CarbonylContact O-C 3.57Å; Q462-K465 WeakPolarHBondContact O-CA 3.42Å; Q462-K465 WeakPolarHBondContact O-CB 3.44Å; Q462-K465 PolarHBondContact O-N 2.76Å; Q462-T466 PolarHBondContact O-N 2.88Å; Q462-T466 PolarHBondContact O-OG1 3.17Å
463	Y	62.7	Low	58.6	Low	80 Å²	80	100.9 Å²	100.9	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-57.3	-42.9	178	-178.5	-99.6	0	0	0	111.6	S459 W460 T466 L467 T549	S459-Y463 WeakPolarHBondContact O-CA 3.45Å; S459-Y463 WeakPolarHBondContact O-CB 3.26Å; S459-Y463 PolarHBondContact O-N 3.08Å; W460-Y463 HydrophobicContact CE3-CD1 4.29Å; W460-Y463 HydrophobicContact CH2-CD1 4.29Å; W460-Y463 HydrophobicContact CH2-CE1 4.45Å; W460-Y463 AromaticContact CZ3-CD1 3.78Å; W460-Y463 HydrophobicContact CZ3-CD1 3.78Å; W460-Y463 HydrophobicContact CZ3-CE1 4.25Å; W460-Y463 PolarHBondContact O-N 2.96Å; Y463-T466 PolarHBondContact O-N 2.9Å; Y463-L467 HydrophobicContact CE1-CD1 3.74Å; Y463-L467 WeakPolarHBondContact O-CB 3.44Å; Y463-L467 PolarHBondContact O-N 3.27Å; Y463-T549 VanDerWaalsContact OH-CG2 3.25Å; Y463-T549 WeakPolarHBondContact OH-CG2 3.29Å
464	R	67.9	Low	58.2	Low	141 Å²	141	103.4 Å²	103.4	53%	0.532	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-39.9	174.6	-173.5	176.7	-179	167.9	3.1	112.1	W460 Q462 M468	W460-R464 WeakPolarHBondContact O-CB 3.22Å; W460-R464 PolarHBondContact O-N 3.46Å; Q462-R464 VanDerWaalsContact C-N 3.31Å; Q462-R464 PolarHBondContact O-N 3.24Å; R464-M468 VanDerWaalsContact O-CB 3.24Å; R464-M468 WeakPolarHBondContact O-CB 3.24Å; R464-M468 WeakPolarHBondContact O-CG 3.31Å; R464-M468 PolarHBondContact O-N 2.98Å
465	K	68.2	Low	57.6	Low	100 Å²	100	107.3 Å²	107.3	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-47	173	-71.4	157.3	-162.6	167.6	0	110.4	E461 Q462 M468 Q469	E461-K465 WeakPolarHBondContact O-CB 3.44Å; E461-K465 WeakPolarHBondContact O-CD 3.44Å; E461-K465 WeakPolarHBondContact O-CE 3.49Å; E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 2.99Å; E461-K465 WeakPolarHBondContact OE2-CE 3.43Å; E461-K465 IonicContact OE2-NZ 2.62Å; E461-K465 PolarHBondContact OE2-NZ 3.13Å; Q462-K465 CarbonylContact O-C 3.57Å; Q462-K465 WeakPolarHBondContact O-CA 3.42Å; Q462-K465 WeakPolarHBondContact O-CB 3.44Å; Q462-K465 PolarHBondContact O-N 2.76Å; K465-M468 PolarHBondContact O-N 3.3Å; K465-Q469 WeakPolarHBondContact O-CB 3.31Å; K465-Q469 VanDerWaalsContact O-CG 3.31Å; K465-Q469 WeakPolarHBondContact O-CG 3.39Å; K465-Q469 PolarHBondContact O-N 3.15Å
466	T	63.5	Low	56.8	Low	61 Å²	61	111.7 Å²	111.7	37%	0.374	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-41.1	177.4	-49.2	0	0	0	0	112.5	Q462 Y463 Q469 M470	Q462-T466 PolarHBondContact O-N 2.88Å; Q462-T466 PolarHBondContact O-OG1 3.17Å; Y463-T466 PolarHBondContact O-N 2.9Å; T466-Q469 WeakPolarHBondContact O-CB 3.21Å; T466-Q469 PolarHBondContact O-N 3.08Å; T466-M470 WeakPolarHBondContact O-CG 3.5Å; T466-M470 PolarHBondContact O-N 2.87Å
467	L	65.4	Low	56.2	Low	41 Å²	41	114.1 Å²	114.1	22%	0.215	53%	0.525	C	S	.	.	H	α-helix	trans	-74.6	-33.1	-179.9	-165.2	147.2	0	0	0	111.7	Y463 R471 T549	Y463-L467 HydrophobicContact CE1-CD1 3.74Å; Y463-L467 WeakPolarHBondContact O-CB 3.44Å; Y463-L467 PolarHBondContact O-N 3.27Å; L467-R471 WeakPolarHBondContact O-CB 3.42Å; L467-R471 PolarHBondContact O-N 3.34Å; L467-T549 HydrophobicContact CD1-CG2 3.92Å
468	M	61.3	Low	55.5	Low	103 Å²	103	119.3 Å²	119.3	51%	0.507	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-41.6	166.3	-75.7	-76.3	-135.7	0	0	112	R464 K465 R471 R472	R464-M468 VanDerWaalsContact O-CB 3.24Å; R464-M468 WeakPolarHBondContact O-CB 3.24Å; R464-M468 WeakPolarHBondContact O-CG 3.31Å; R464-M468 PolarHBondContact O-N 2.98Å; K465-M468 PolarHBondContact O-N 3.3Å; M468-R471 PolarHBondContact O-N 3.02Å; M468-R472 PolarHBondContact O-N 2.89Å
469	Q	60.4	Low	54.6	Low	115 Å²	115	122.9 Å²	122.9	54%	0.537	56%	0.56	S	S	.	*	H	α-helix	trans	-62.8	-46.7	173.5	-77.2	170.8	-19.1	0	0	111.1	K465 T466 R471 R472 I473	K465-Q469 WeakPolarHBondContact O-CB 3.31Å; K465-Q469 VanDerWaalsContact O-CG 3.31Å; K465-Q469 WeakPolarHBondContact O-CG 3.39Å; K465-Q469 PolarHBondContact O-N 3.15Å; T466-Q469 WeakPolarHBondContact O-CB 3.21Å; T466-Q469 PolarHBondContact O-N 3.08Å; Q469-R471 VanDerWaalsContact C-N 3.3Å; Q469-R471 PolarHBondContact O-N 3.33Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.26Å; Q469-R472 PolarHBondContact O-N 3.41Å; Q469-I473 VanDerWaalsContact O-CG1 3.29Å; Q469-I473 WeakPolarHBondContact O-CG1 3.32Å; Q469-I473 PolarHBondContact O-N 3.47Å
470	M	55.6	Low	53.9	Low	106 Å²	106	128 Å²	128	52%	0.522	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-35.7	174.6	-74.1	-157.7	-73.9	0	0	112.5	T466 I473 K474	T466-M470 WeakPolarHBondContact O-CG 3.5Å; T466-M470 PolarHBondContact O-N 2.87Å; M470-I473 PolarHBondContact O-N 3.31Å; M470-K474 PolarHBondContact O-N 3.24Å
471	R	57.8	Low	52.4	Low	186 Å²	186	137.2 Å²	137.2	70%	0.702	62%	0.616	S	S	*	*	H	α-helix	trans	-63.6	-37.2	170.2	-100.3	-177.7	169	166.1	-1.7	113	L467 M468 Q469	L467-R471 WeakPolarHBondContact O-CB 3.42Å; L467-R471 PolarHBondContact O-N 3.34Å; M468-R471 PolarHBondContact O-N 3.02Å; Q469-R471 VanDerWaalsContact C-N 3.3Å; Q469-R471 PolarHBondContact O-N 3.33Å
472	R	53	Low	50.8	Low	209 Å²	209	137.5 Å²	137.5	79%	0.789	63%	0.63	S	S	*	*	H	α-helix	trans	-69.3	-42.7	172.8	-69.4	-177.7	-176	-173.4	1.6	112.2	M468 Q469 K474 N475	M468-R472 PolarHBondContact O-N 2.89Å; Q469-R472 WeakPolarHBondContact O-CA 3.39Å; Q469-R472 WeakPolarHBondContact O-CB 3.26Å; Q469-R472 PolarHBondContact O-N 3.41Å; R472-K474 PolarHBondContact O-N 2.65Å; R472-N475 PolarHBondContact O-N 3Å
473	I	54.3	Low	49.3	Very low	111 Å²	111	137.1 Å²	137.1	57%	0.569	64%	0.64	S	S	*	*	H	α-helix	trans	-64.1	-26.5	177.8	-66.8	162.2	0	0	0	111.1	Q469 M470 N475 W476	Q469-I473 VanDerWaalsContact O-CG1 3.29Å; Q469-I473 WeakPolarHBondContact O-CG1 3.32Å; Q469-I473 PolarHBondContact O-N 3.47Å; M470-I473 PolarHBondContact O-N 3.31Å; I473-N475 PolarHBondContact O-N 2.97Å; I473-N475 VanDerWaalsContact O-N 3.12Å; I473-W476 WeakPolarHBondContact O-CB 3.4Å; I473-W476 PolarHBondContact O-N 2.99Å
474	K	46.4	Very low	48	Very low	176 Å²	176	138.9 Å²	138.9	77%	0.765	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	176.2	-140.4	172.3	-173.8	177.7	0	114.7	M470 R472 W476	M470-K474 PolarHBondContact O-N 3.24Å; R472-K474 PolarHBondContact O-N 2.65Å; K474-W476 VanDerWaalsContact C-N 3.26Å; K474-W476 PolarHBondContact O-N 2.95Å
475	N	39.8	Very low	46.3	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	14.2	170.1	-73.3	7.7	0	0	0	113.2	R472 I473 P477	R472-N475 PolarHBondContact O-N 3Å; I473-N475 PolarHBondContact O-N 2.97Å; I473-N475 VanDerWaalsContact O-N 3.12Å; N475-P477 VanDerWaalsContact C-CD 3.43Å
476	W	33.3	Very low	44.6	Very low	210 Å²	210	139.8 Å²	139.8	80%	0.795	68%	0.684	S	S	*	*			trans	-118	58	-173.4	-143.5	62.4	0	0	0	116.6	I473 K474	I473-W476 WeakPolarHBondContact O-CB 3.4Å; I473-W476 PolarHBondContact O-N 2.99Å; K474-W476 VanDerWaalsContact C-N 3.26Å; K474-W476 PolarHBondContact O-N 2.95Å
477	P	40.2	Very low	43	Very low	101 Å²	101	142.1 Å²	142.1	66%	0.656	70%	0.702	S	S	*	*			trans	-116.8	18.3	166.8	41.4	-33.7	0	0	0	115.3	N475	N475-P477 VanDerWaalsContact C-CD 3.43Å
478	N	37.5	Very low	41.4	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	73%	0.731	S	S	*	*	S	Bend	trans	-107.9	18.7	-170.8	-77.8	3.3	0	0	0	116.3
479	R	36.6	Very low	40	Very low	224 Å²	224	147.6 Å²	147.6	85%	0.845	74%	0.742	S	S	*	*			trans	-134.4	6.8	-177	-80.6	-164.4	176	-159.4	-0.7	118.2
480	L	40.1	Very low	38.7	Very low	173 Å²	173	148.1 Å²	148.1	91%	0.906	75%	0.753	S	S	*	*			trans	-113.7	75.7	168.1	-71.7	161.8	0	0	0	107.7
481	R	30	Very low	37.4	Very low	223 Å²	223	148.9 Å²	148.9	84%	0.842	76%	0.759	S	S	*	*				59	83.7	82.2	-172.2	173	-89.2	-119.7	-0.4	112.9
482	S	29.7	Very low	36	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	77%	0.769	S	S	*	*			trans	37.6	106.3	143.3	61.7	0	0	0	0	119.5
483	S	32.3	Very low	35	Very low	113 Å²	113	143 Å²	143	79%	0.79	77%	0.766	S	S	*	*				-171.3	137.9	121.4	-156.5	0	0	0	0	112.5
484	V	34	Very low	33.9	Very low	118 Å²	118	143.7 Å²	143.7	72%	0.715	78%	0.776	S	S	*	*			trans	63.9	104.2	148.6	168.3	0	0	0	0	120.3
485	I	32.9	Very low	33.1	Very low	156 Å²	156	140.9 Å²	140.9	80%	0.8	78%	0.775	S	S	*	*			trans	77	142.8	131	-71.5	177.8	0	0	0	119
486	P	33.7	Very low	32.7	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	78%	0.779	S	S	*	*				-135.5	-174.6	-120	46.9	-34	0	0	0	117.2
487	S	28.8	Very low	32.7	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	78%	0.779	S	S	*	*			trans	33.4	110	145.8	-57.7	0	0	0	0	120.5
488	V	32.5	Very low	32.4	Very low	135 Å²	135	138.3 Å²	138.3	82%	0.818	79%	0.79	S	S	*	*			trans	-132.9	126.8	132.3	176.1	0	0	0	0	108.7	V490	V488-V490 HydrophobicContact CG1-CG2 3.98Å
489	V	30.8	Very low	32.2	Very low	124 Å²	124	134.6 Å²	134.6	75%	0.752	79%	0.788	S	S	*	*			trans	-110.1	127.4	168.6	173.7	0	0	0	0	107.4	L491	V489-L491 HydrophobicContact CG1-CD1 4.01Å
490	V	33.6	Very low	32.1	Very low	126 Å²	126	131.6 Å²	131.6	76%	0.764	79%	0.789	S	S	*	*			trans	-134.3	124.6	165.6	178	0	0	0	0	107.8	V488	V488-V490 HydrophobicContact CG1-CG2 3.98Å
491	L	29.4	Very low	32.1	Very low	123 Å²	123	127.8 Å²	127.8	64%	0.644	78%	0.777	S	S	*	*			trans	-77.7	138.5	171.7	-78	69.1	0	0	0	109.1	V489 N493	V489-L491 HydrophobicContact CG1-CD1 4.01Å; L491-N493 VanDerWaalsContact C-N 3.26Å; L491-N493 PolarHBondContact O-N 2.94Å
492	C	27.8	Very low	32.6	Very low	134 Å²	134	125 Å²	125	91%	0.905	78%	0.777	S	S	*	*			trans	-74.9	82.2	160.9	-65.3	0	0	0	0	109.1
493	N	30.9	Very low	33	Very low	137 Å²	137	124.3 Å²	124.3	73%	0.733	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.8	169.4	-84	14.1	0	0	0	110	L491	L491-N493 VanDerWaalsContact C-N 3.26Å; L491-N493 PolarHBondContact O-N 2.94Å
494	T	31.7	Very low	33.3	Very low	126 Å²	126	124.2 Å²	124.2	77%	0.773	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.7	156.2	174.1	44.8	0	0	0	0	112
495	P	30.4	Very low	33.6	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	77%	0.773	S	S	*	*	S	Bend	trans	-69	166.1	178.5	29.7	-36.6	0	0	0	113.9
496	S	31.7	Very low	34	Very low	121 Å²	121	121.1 Å²	121.1	85%	0.846	77%	0.768	S	S	*	*			trans	62	107	174.4	69.1	0	0	0	0	118.8
497	S	33.4	Very low	34.1	Very low	114 Å²	114	123.6 Å²	123.6	80%	0.797	78%	0.776	S	S	*	*				-176.6	128	112.4	-168.2	0	0	0	0	111.9
498	N	32.5	Very low	34.6	Very low	165 Å²	165	121.4 Å²	121.4	88%	0.882	77%	0.771	S	S	*	*			trans	2.6	131.7	165.6	-60.2	-12	0	0	0	121.4
499	G	33.5	Very low	34.8	Very low	75 Å²	75	120.3 Å²	120.3	77%	0.773	77%	0.769	S	S	*	*			trans	-167.5	92.8	163.3	0	0	0	0	0	113.5
500	N	35.3	Very low	34.9	Very low	162 Å²	162	121.6 Å²	121.6	87%	0.866	77%	0.771	S	S	*	*			trans	-77	166.4	164.4	-61.8	-21.1	0	0	0	108.9
501	S	39.1	Very low	35	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	77%	0.774	S	S	*	*			cis	-168	152.7	21.8	-15.2	0	0	0	0	112.2
502	I	40.9	Very low	35.3	Very low	165 Å²	165	125.2 Å²	125.2	85%	0.846	78%	0.778	S	S	*	*			trans	68.1	145.2	138.6	-62.5	164.5	0	0	0	116.8
503	S	38.6	Very low	35.7	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	78%	0.777	S	S	*	*			cis	-149.6	137.2	10.7	18.3	0	0	0	0	109.3
504	S	37.2	Very low	36.1	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	78%	0.779	S	S	*	*				60.9	152.3	87.7	84.3	0	0	0	0	116.7
505	S	40.4	Very low	36.5	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	79%	0.787	S	S	*	*			cis	178.9	167.1	-26.6	61.1	0	0	0	0	107.1
506	S	41.3	Very low	36.7	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	79%	0.787	S	S	*	*			cis	-140.4	-140.6	-0.6	-55.6	0	0	0	0	107.5
507	D	37.3	Very low	36.9	Very low	156 Å²	156	131.6 Å²	131.6	83%	0.834	78%	0.783	S	S	*	*			cis	-165.7	175.6	-20.4	-120.7	-51.8	0	0	0	106.2
508	G	38.9	Very low	36.7	Very low	63 Å²	63	130.6 Å²	130.6	65%	0.649	78%	0.776	S	S	*	*			cis	169.7	149.9	-5.8	0	0	0	0	0	113.7
509	S	36.9	Very low	37	Very low	112 Å²	112	129 Å²	129	78%	0.783	78%	0.775	S	S	*	*			trans	63.7	102.5	157.7	-176.2	0	0	0	0	124.8
510	L	33	Very low	36.8	Very low	152 Å²	152	131 Å²	131	80%	0.796	77%	0.772	S	S	*	*				56.4	153.3	122.8	-105.8	68.4	0	0	0	122.4
511	R	33.9	Very low	36.6	Very low	220 Å²	220	129.2 Å²	129.2	83%	0.83	77%	0.767	S	S	*	*			cis	-164.9	164.2	19.7	-163.2	175.2	-177.6	166.1	-0.9	112.8
512	S	37.2	Very low	36.3	Very low	104 Å²	104	131 Å²	131	73%	0.727	77%	0.773	S	S	*	*			trans	72.4	146.3	163.8	-94.4	0	0	0	0	117.3
513	E	36.1	Very low	36	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	77%	0.765	S	S	*	*			cis	-138.4	168.3	-2.7	-55.7	-174.1	104.8	0	0	110.5
514	G	38.1	Very low	35.9	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	78%	0.778	S	S	*	*			trans	128.3	130	155.9	0	0	0	0	0	119.3
515	E	40.4	Very low	35.8	Very low	201 Å²	201	132.4 Å²	132.4	94%	0.939	77%	0.771	S	S	*	*			trans	58	172.2	153	-70.1	-171.7	132.4	0	0	122.6
516	E	34.1	Very low	36.1	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	76%	0.755	S	S	*	*			trans	-86	172	-154	-55.9	-175.5	137.5	0	0	116.8
517	N	36	Very low	36.6	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	74%	0.742	S	S	*	*			trans	83.6	135	150.2	-65.5	-51.1	0	0	0	119.4
518	S	29.7	Very low	36.9	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	73%	0.733	S	S	*	*			trans	-51.2	143.6	-175.2	-54.1	0	0	0	0	114.7	T520	S518-T520 VanDerWaalsContact C-N 3.25Å; S518-T520 PolarHBondContact O-N 2.89Å
519	P	38	Very low	37.2	Very low	132 Å²	132	130.6 Å²	130.6	86%	0.857	74%	0.735	S	S	*	*			trans	-66.9	91.5	154.5	30.2	-31.7	0	0	0	108.2	V521	P519-V521 PolarHBondContact O-N 2.8Å
520	T	30	Very low	38	Very low	116 Å²	116	132.4 Å²	132.4	71%	0.712	73%	0.726	S	S	*	*			trans	-49.7	136.8	176.2	-61.1	0	0	0	0	110.1	S518 T522	S518-T520 VanDerWaalsContact C-N 3.25Å; S518-T520 PolarHBondContact O-N 2.89Å; T520-T522 PolarHBondContact O-N 2.9Å
521	V	31.9	Very low	39.1	Very low	125 Å²	125	129.7 Å²	129.7	76%	0.758	71%	0.711	S	S	*	*			trans	-47.1	103.6	177.5	177.1	0	0	0	0	110.1	P519 T523	P519-V521 PolarHBondContact O-N 2.8Å; V521-T523 VanDerWaalsContact C-N 3.28Å; V521-T523 PolarHBondContact O-N 3.01Å
522	T	32.7	Very low	40.3	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	70%	0.7	S	S	*	*			trans	-70.6	91.1	175.5	-47.7	0	0	0	0	108.1	T520 M524	T520-T522 PolarHBondContact O-N 2.9Å; T522-M524 VanDerWaalsContact C-N 3.34Å; T522-M524 PolarHBondContact O-N 3.09Å
523	T	33.6	Very low	41.6	Very low	110 Å²	110	122.3 Å²	122.3	68%	0.675	69%	0.686	S	S	*	*			trans	-56.7	96.4	170.4	27.9	0	0	0	0	108.9	V521 T525	V521-T523 VanDerWaalsContact C-N 3.28Å; V521-T523 PolarHBondContact O-N 3.01Å; T523-T525 WeakPolarHBondContact O-CG2 3.39Å; T523-T525 PolarHBondContact O-N 2.87Å
524	M	36	Very low	43.4	Very low	186 Å²	186	118.1 Å²	118.1	92%	0.916	67%	0.666	S	S	*	*			trans	-57.5	109.3	166.5	-85.3	-132.3	157	0	0	107.4	T522	T522-M524 VanDerWaalsContact C-N 3.34Å; T522-M524 PolarHBondContact O-N 3.09Å
525	T	36.8	Very low	45.2	Very low	103 Å²	103	120.8 Å²	120.8	63%	0.632	66%	0.659	S	S	*	*			trans	-68.9	145.1	-158	37.9	0	0	0	0	111.5	T523 S527	T523-T525 WeakPolarHBondContact O-CG2 3.39Å; T523-T525 PolarHBondContact O-N 2.87Å; T525-S527 PolarHBondContact O-N 3.4Å; T525-S527 PolarHBondContact O-OG 2.71Å
526	S	46.5	Very low	47	Very low	61 Å²	61	117.8 Å²	117.8	43%	0.427	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.5	-11.8	-173.3	48	0	0	0	0	116.3	N528 Q529 Y530	S526-N528 PolarHBondContact O-N 3.4Å; S526-Q529 PolarHBondContact O-N 2.91Å; S526-Q529 VanDerWaalsContact O-N 3.15Å; S526-Y530 WeakPolarHBondContact O-CD2 3.21Å; S526-Y530 PolarHBondContact O-N 2.71Å; S526-Y530 WeakPolarHBondContact OG-CE2 3.17Å
527	S	50.5	Low	49.2	Very low	61 Å²	61	114.6 Å²	114.6	43%	0.427	63%	0.631	S	S	.	*	H	α-helix	trans	-54.3	-47.4	-176.7	52.6	0	0	0	0	114	T525 Y530 I531	T525-S527 PolarHBondContact O-N 3.4Å; T525-S527 PolarHBondContact O-OG 2.71Å; S527-Y530 WeakPolarHBondContact O-CB 3.28Å; S527-Y530 PolarHBondContact O-N 2.74Å; S527-I531 WeakPolarHBondContact O-CG1 3.16Å; S527-I531 PolarHBondContact O-N 2.84Å; S527-I531 VanDerWaalsContact O-N 3.08Å
528	N	44.7	Very low	51.4	Low	122 Å²	122	115.3 Å²	115.3	65%	0.652	62%	0.623	S	S	*	*	H	α-helix	trans	-69.4	-34.8	178.5	-83	-17	0	0	0	112.3	S526 Y530 I531 V532	S526-N528 PolarHBondContact O-N 3.4Å; N528-Y530 VanDerWaalsContact C-N 3.33Å; N528-I531 PolarHBondContact O-N 2.77Å; N528-V532 PolarHBondContact O-N 3.34Å
529	Q	45.9	Very low	53.9	Low	146 Å²	146	114.8 Å²	114.8	68%	0.682	61%	0.61	S	S	*	*	H	α-helix	trans	-68.5	-33.9	174.4	-157.5	170	10.7	0	0	111.2	S526 T533	S526-Q529 PolarHBondContact O-N 2.91Å; S526-Q529 VanDerWaalsContact O-N 3.15Å; Q529-T533 WeakPolarHBondContact O-CB 3.41Å; Q529-T533 WeakPolarHBondContact O-CG2 3.41Å; Q529-T533 PolarHBondContact O-N 2.76Å; Q529-T533 PolarHBondContact O-OG1 2.85Å
530	Y	51.7	Low	56.2	Low	151 Å²	151	112.9 Å²	112.9	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-65.7	-34.4	170.8	-75.2	-53.1	0	0	0	113.7	S526 S527 N528 T533 Q534	S526-Y530 WeakPolarHBondContact O-CD2 3.21Å; S526-Y530 PolarHBondContact O-N 2.71Å; S526-Y530 WeakPolarHBondContact OG-CE2 3.17Å; S527-Y530 WeakPolarHBondContact O-CB 3.28Å; S527-Y530 PolarHBondContact O-N 2.74Å; N528-Y530 VanDerWaalsContact C-N 3.33Å; Y530-T533 VanDerWaalsContact CA-OG1 3.3Å; Y530-T533 WeakPolarHBondContact CA-OG1 3.41Å; Y530-T533 PolarHBondContact O-OG1 2.93Å; Y530-Q534 WeakPolarHBondContact O-CB 3.35Å; Y530-Q534 WeakPolarHBondContact O-CG 3.36Å; Y530-Q534 PolarHBondContact O-N 2.76Å
531	I	56.6	Low	58.9	Low	94 Å²	94	112.3 Å²	112.3	48%	0.482	58%	0.582	S	S	.	*	H	α-helix	trans	-70.5	-46.5	177.7	-67.2	167.3	0	0	0	110.9	S527 N528 Q534 Q535	S527-I531 WeakPolarHBondContact O-CG1 3.16Å; S527-I531 PolarHBondContact O-N 2.84Å; S527-I531 VanDerWaalsContact O-N 3.08Å; N528-I531 PolarHBondContact O-N 2.77Å; I531-Q534 PolarHBondContact O-N 2.93Å; I531-Q535 PolarHBondContact O-N 2.85Å
532	V	58.9	Low	61.4	Low	98 Å²	98	112.2 Å²	112.2	59%	0.594	57%	0.572	S	S	*	*	H	α-helix	trans	-64.8	-43.3	177.7	177.9	0	0	0	0	110.8	N528 Q534 Q535 F536	N528-V532 PolarHBondContact O-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.15Å; V532-Q535 PolarHBondContact O-N 2.96Å; V532-F536 WeakPolarHBondContact O-CB 3.41Å; V532-F536 PolarHBondContact O-N 2.95Å
533	T	65.7	Low	64.1	Low	72 Å²	72	110 Å²	110	44%	0.442	56%	0.555	S	S	.	*	H	α-helix	trans	-66.5	-33.2	174.3	51.6	0	0	0	0	112.8	Q529 Y530 F536 L537	Q529-T533 WeakPolarHBondContact O-CB 3.41Å; Q529-T533 WeakPolarHBondContact O-CG2 3.41Å; Q529-T533 PolarHBondContact O-N 2.76Å; Q529-T533 PolarHBondContact O-OG1 2.85Å; Y530-T533 VanDerWaalsContact CA-OG1 3.3Å; Y530-T533 WeakPolarHBondContact CA-OG1 3.41Å; Y530-T533 PolarHBondContact O-OG1 2.93Å; T533-F536 PolarHBondContact O-N 2.88Å; T533-L537 WeakPolarHBondContact O-CB 3.28Å; T533-L537 PolarHBondContact O-N 2.92Å
534	Q	73.2	Confident	66.7	Low	102 Å²	102	109.2 Å²	109.2	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-41.3	170.1	-90.1	-152.3	30.2	0	0	112.6	Y530 I531 V532 R538	Y530-Q534 WeakPolarHBondContact O-CB 3.35Å; Y530-Q534 WeakPolarHBondContact O-CG 3.36Å; Y530-Q534 PolarHBondContact O-N 2.76Å; I531-Q534 PolarHBondContact O-N 2.93Å; V532-Q534 PolarHBondContact O-N 3.15Å; Q534-R538 WeakPolarHBondContact O-CB 3.31Å; Q534-R538 WeakPolarHBondContact O-CG 3.47Å; Q534-R538 PolarHBondContact O-N 2.98Å
535	Q	75.9	Confident	69	Low	131 Å²	131	104.6 Å²	104.6	61%	0.612	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-44.4	177.4	-69.1	-174.5	7	0	0	111.3	I531 V532 R538 Q539	I531-Q535 PolarHBondContact O-N 2.85Å; V532-Q535 PolarHBondContact O-N 2.96Å; Q535-R538 PolarHBondContact O-N 2.98Å; Q535-Q539 PolarHBondContact O-N 3.43Å
536	F	78	Confident	71.4	Confident	137 Å²	137	106.1 Å²	106.1	60%	0.601	52%	0.524	S	S	*	.	H	α-helix	trans	-60.8	-47.6	175	-173.4	-106.2	0	0	0	111.8	V532 T533 R538 Q539 M540	V532-F536 WeakPolarHBondContact O-CB 3.41Å; V532-F536 PolarHBondContact O-N 2.95Å; T533-F536 PolarHBondContact O-N 2.88Å; F536-R538 PolarHBondContact O-N 2.72Å; F536-Q539 CarbonylContact O-C 3.55Å; F536-Q539 WeakPolarHBondContact O-CA 3.35Å; F536-Q539 PolarHBondContact O-N 2.92Å; F536-M540 HydrophobicContact CD1-CG 4.19Å; F536-M540 HydrophobicContact CD1-SD 3.77Å; F536-M540 HydrophobicContact CE1-CG 3.97Å; F536-M540 HydrophobicContact CE1-SD 3.38Å; F536-M540 WeakPolarHBondContact CE1-SD 3.49Å; F536-M540 HydrophobicContact CZ-CG 4.33Å; F536-M540 HydrophobicContact CZ-SD 4.15Å; F536-M540 PolarHBondContact O-N 2.83Å
537	L	81.7	Confident	73.4	Confident	97 Å²	97	107.6 Å²	107.6	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-43	176.6	-174.1	72.4	0	0	0	111.8	T533 Q539 M540 I541	T533-L537 WeakPolarHBondContact O-CB 3.28Å; T533-L537 PolarHBondContact O-N 2.92Å; L537-Q539 PolarHBondContact O-N 2.54Å; L537-M540 PolarHBondContact O-N 2.84Å; L537-I541 HydrophobicContact CG-CD1 3.98Å; L537-I541 WeakPolarHBondContact O-CB 3.47Å; L537-I541 VanDerWaalsContact O-CG1 3.26Å; L537-I541 WeakPolarHBondContact O-CG1 3.22Å; L537-I541 PolarHBondContact O-N 2.91Å
538	R	82.3	Confident	75.1	Confident	155 Å²	155	106.8 Å²	106.8	59%	0.585	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-34.1	173.6	-73.7	171.5	-165.7	-156.6	7.9	111.8	Q534 Q535 F536 K542	Q534-R538 WeakPolarHBondContact O-CB 3.31Å; Q534-R538 WeakPolarHBondContact O-CG 3.47Å; Q534-R538 PolarHBondContact O-N 2.98Å; Q535-R538 PolarHBondContact O-N 2.98Å; F536-R538 PolarHBondContact O-N 2.72Å; R538-K542 VanDerWaalsContact O-CG 3.32Å; R538-K542 WeakPolarHBondContact O-CG 3.16Å; R538-K542 PolarHBondContact O-N 2.93Å; R538-K542 VanDerWaalsContact O-N 3.15Å
539	Q	80.2	Confident	76.9	Confident	82 Å²	82	102.1 Å²	102.1	38%	0.383	50%	0.499	S	S	.	.	H	α-helix	trans	-76.3	-39.1	175.4	-166.9	59.8	36.2	0	0	112.3	Q535 F536 L537 I541 K542 N543	Q535-Q539 PolarHBondContact O-N 3.43Å; F536-Q539 CarbonylContact O-C 3.55Å; F536-Q539 WeakPolarHBondContact O-CA 3.35Å; F536-Q539 PolarHBondContact O-N 2.92Å; L537-Q539 PolarHBondContact O-N 2.54Å; Q539-I541 VanDerWaalsContact C-N 3.35Å; Q539-I541 PolarHBondContact O-N 3.24Å; Q539-K542 PolarHBondContact O-N 3.5Å; Q539-N543 PolarHBondContact NE2-OD1 2.89Å; Q539-N543 WeakPolarHBondContact O-CB 3.4Å; Q539-N543 VanDerWaalsContact O-CG 3.22Å; Q539-N543 PolarHBondContact O-N 3.38Å; Q539-N543 PolarHBondContact O-OD1 2.68Å
540	M	86.5	Confident	78.8	Confident	92 Å²	92	99.5 Å²	99.5	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-57.9	-46.2	170	-70.3	-176.2	74.8	0	0	111.3	F536 L537 K542 N543 V544	F536-M540 HydrophobicContact CD1-CG 4.19Å; F536-M540 HydrophobicContact CD1-SD 3.77Å; F536-M540 HydrophobicContact CE1-CG 3.97Å; F536-M540 HydrophobicContact CE1-SD 3.38Å; F536-M540 WeakPolarHBondContact CE1-SD 3.49Å; F536-M540 HydrophobicContact CZ-CG 4.33Å; F536-M540 HydrophobicContact CZ-SD 4.15Å; F536-M540 PolarHBondContact O-N 2.83Å; L537-M540 PolarHBondContact O-N 2.84Å; M540-K542 VanDerWaalsContact C-N 3.34Å; M540-K542 PolarHBondContact O-N 2.85Å; M540-N543 PolarHBondContact O-N 3.39Å; M540-N543 VanDerWaalsContact O-N 3.14Å; M540-V544 WeakPolarHBondContact O-CB 3.24Å; M540-V544 WeakPolarHBondContact O-CG2 3.26Å; M540-V544 PolarHBondContact O-N 3.34Å
541	I	87.5	Confident	80.5	Confident	104 Å²	104	96.7 Å²	96.7	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-40.5	177.8	-69.9	165.6	0	0	0	111.2	L537 Q539 H545	L537-I541 HydrophobicContact CG-CD1 3.98Å; L537-I541 WeakPolarHBondContact O-CB 3.47Å; L537-I541 VanDerWaalsContact O-CG1 3.26Å; L537-I541 WeakPolarHBondContact O-CG1 3.22Å; L537-I541 PolarHBondContact O-N 2.91Å; Q539-I541 VanDerWaalsContact C-N 3.35Å; Q539-I541 PolarHBondContact O-N 3.24Å; I541-H545 WeakPolarHBondContact O-CB 3.49Å; I541-H545 PolarHBondContact O-N 3.01Å
542	K	85.4	Confident	81.7	Confident	124 Å²	124	93 Å²	93	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-44.6	172.1	-70.8	170.9	-161.1	166.2	0	112	R538 Q539 M540 H545 F546	R538-K542 VanDerWaalsContact O-CG 3.32Å; R538-K542 WeakPolarHBondContact O-CG 3.16Å; R538-K542 PolarHBondContact O-N 2.93Å; R538-K542 VanDerWaalsContact O-N 3.15Å; Q539-K542 PolarHBondContact O-N 3.5Å; M540-K542 VanDerWaalsContact C-N 3.34Å; M540-K542 PolarHBondContact O-N 2.85Å; K542-H545 PolarHBondContact O-N 3.32Å; K542-F546 WeakPolarHBondContact O-CB 3.38Å; K542-F546 PolarHBondContact O-N 3.05Å
543	N	87.9	Confident	82.8	Confident	83 Å²	83	92.9 Å²	92.9	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-45	-178.4	-69	7.4	0	0	0	110.8	Q539 M540 F546 I547	Q539-N543 PolarHBondContact NE2-OD1 2.89Å; Q539-N543 WeakPolarHBondContact O-CB 3.4Å; Q539-N543 VanDerWaalsContact O-CG 3.22Å; Q539-N543 PolarHBondContact O-N 3.38Å; Q539-N543 PolarHBondContact O-OD1 2.68Å; M540-N543 PolarHBondContact O-N 3.39Å; M540-N543 VanDerWaalsContact O-N 3.14Å; N543-F546 PolarHBondContact O-N 2.93Å; N543-I547 WeakPolarHBondContact O-CB 3.28Å; N543-I547 VanDerWaalsContact O-CG1 3.26Å; N543-I547 WeakPolarHBondContact O-CG1 3.43Å; N543-I547 PolarHBondContact O-N 3.06Å
544	V	88.3	Confident	83.8	Confident	92 Å²	92	94.2 Å²	94.2	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-64.2	-41.1	174.6	172.3	0	0	0	0	111	M540 F546 I547 A548	M540-V544 WeakPolarHBondContact O-CB 3.24Å; M540-V544 WeakPolarHBondContact O-CG2 3.26Å; M540-V544 PolarHBondContact O-N 3.34Å; V544-F546 VanDerWaalsContact C-N 3.35Å; V544-F546 PolarHBondContact O-N 2.76Å; V544-I547 PolarHBondContact O-N 3.17Å; V544-A548 WeakPolarHBondContact O-CB 3.47Å; V544-A548 PolarHBondContact O-N 2.83Å
545	H	84.6	Confident	84.3	Confident	89 Å²	89	93.1 Å²	93.1	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-40	173.6	-178.9	62.7	0	0	0	112	I541 K542 T549	I541-H545 WeakPolarHBondContact O-CB 3.49Å; I541-H545 PolarHBondContact O-N 3.01Å; K542-H545 PolarHBondContact O-N 3.32Å; H545-T549 WeakPolarHBondContact O-CG2 3.18Å; H545-T549 PolarHBondContact O-N 2.93Å; H545-T549 PolarHBondContact O-OG1 2.73Å
546	F	86.5	Confident	84.7	Confident	135 Å²	135	90.4 Å²	90.4	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-64.1	-49.9	175.5	178.4	-96.5	0	0	0	111.7	K542 N543 V544 A548 T549 H550	K542-F546 WeakPolarHBondContact O-CB 3.38Å; K542-F546 PolarHBondContact O-N 3.05Å; N543-F546 PolarHBondContact O-N 2.93Å; V544-F546 VanDerWaalsContact C-N 3.35Å; V544-F546 PolarHBondContact O-N 2.76Å; F546-A548 VanDerWaalsContact C-N 3.34Å; F546-A548 PolarHBondContact O-N 3.49Å; F546-T549 WeakPolarHBondContact CA-OG1 3.39Å; F546-T549 PolarHBondContact O-N 2.84Å; F546-T549 PolarHBondContact O-OG1 2.91Å; F546-H550 WeakPolarHBondContact O-CB 3.48Å; F546-H550 PolarHBondContact O-N 2.77Å
547	I	88.9	Confident	84.9	Confident	93 Å²	93	86.7 Å²	86.7	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-57.5	-47.5	175.8	-69	162.8	0	0	0	110.3	N543 V544 T549 H550 I551	N543-I547 WeakPolarHBondContact O-CB 3.28Å; N543-I547 VanDerWaalsContact O-CG1 3.26Å; N543-I547 WeakPolarHBondContact O-CG1 3.43Å; N543-I547 PolarHBondContact O-N 3.06Å; V544-I547 PolarHBondContact O-N 3.17Å; I547-T549 PolarHBondContact O-N 3.08Å; I547-H550 PolarHBondContact O-N 2.66Å; I547-H550 VanDerWaalsContact O-N 3.08Å; I547-I551 HydrophobicContact CG2-CD1 3.66Å; I547-I551 HydrophobicContact CG2-CG1 4.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.39Å; I547-I551 PolarHBondContact O-N 3.48Å
548	A	85.9	Confident	85.1	Confident	44 Å²	44	88.4 Å²	88.4	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-49.1	175.5	0	0	0	0	0	111.2	V544 F546 H550 A552	V544-A548 WeakPolarHBondContact O-CB 3.47Å; V544-A548 PolarHBondContact O-N 2.83Å; F546-A548 VanDerWaalsContact C-N 3.34Å; F546-A548 PolarHBondContact O-N 3.49Å; A548-H550 PolarHBondContact O-N 2.64Å; A548-A552 WeakPolarHBondContact O-CB 3.27Å; A548-A552 PolarHBondContact O-N 2.79Å; A548-A552 VanDerWaalsContact O-N 3.08Å
549	T	83.9	Confident	85.2	Confident	23 Å²	23	82.9 Å²	82.9	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-62.1	-28.7	175.7	54.6	0	0	0	0	113.2	Y463 L467 H545 F546 I547 M553	Y463-T549 VanDerWaalsContact OH-CG2 3.25Å; Y463-T549 WeakPolarHBondContact OH-CG2 3.29Å; L467-T549 HydrophobicContact CD1-CG2 3.92Å; H545-T549 WeakPolarHBondContact O-CG2 3.18Å; H545-T549 PolarHBondContact O-N 2.93Å; H545-T549 PolarHBondContact O-OG1 2.73Å; F546-T549 WeakPolarHBondContact CA-OG1 3.39Å; F546-T549 PolarHBondContact O-N 2.84Å; F546-T549 PolarHBondContact O-OG1 2.91Å; I547-T549 PolarHBondContact O-N 3.08Å; T549-M553 WeakPolarHBondContact O-CB 3.47Å; T549-M553 WeakPolarHBondContact O-CE 3.46Å; T549-M553 VanDerWaalsContact O-CG 3.26Å; T549-M553 WeakPolarHBondContact O-CG 3.36Å; T549-M553 PolarHBondContact O-N 2.8Å
550	H	84.9	Confident	85.4	Confident	91 Å²	91	80.3 Å²	80.3	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-82	-50.1	-177.1	-177.7	42.4	0	0	0	113	F546 I547 A548 A552 M553 L554	F546-H550 WeakPolarHBondContact O-CB 3.48Å; F546-H550 PolarHBondContact O-N 2.77Å; I547-H550 PolarHBondContact O-N 2.66Å; I547-H550 VanDerWaalsContact O-N 3.08Å; A548-H550 PolarHBondContact O-N 2.64Å; H550-A552 PolarHBondContact O-N 3.08Å; H550-M553 PolarHBondContact O-N 3.23Å; H550-M553 VanDerWaalsContact O-N 3.11Å; H550-L554 WeakPolarHBondContact O-CG 3.31Å; H550-L554 PolarHBondContact O-N 2.83Å
551	I	86.8	Confident	85.4	Confident	93 Å²	93	78 Å²	78	48%	0.477	40%	0.396	S	S	.	.	H	α-helix	trans	-50.5	-48	170	-67.5	169.1	0	0	0	109	I547 L554 E555	I547-I551 HydrophobicContact CG2-CD1 3.66Å; I547-I551 HydrophobicContact CG2-CG1 4.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.39Å; I547-I551 PolarHBondContact O-N 3.48Å; I551-L554 WeakPolarHBondContact O-CB 3.29Å; I551-L554 PolarHBondContact O-N 2.83Å; I551-L554 VanDerWaalsContact O-N 3.12Å; I551-E555 PolarHBondContact O-N 2.83Å
552	A	83.2	Confident	85.3	Confident	15 Å²	15	77.8 Å²	77.8	12%	0.124	40%	0.396	C	S	.	.	H	α-helix	trans	-65	-43	-178.6	0	0	0	0	0	111.1	W460 A548 H550 L554 E555 Y556	W460-A552 HydrophobicContact CH2-CB 3.27Å; W460-A552 VanDerWaalsContact CH2-O 3.3Å; W460-A552 WeakPolarHBondContact CH2-O 3.27Å; W460-A552 HydrophobicContact CZ2-CB 3.24Å; W460-A552 WeakPolarHBondContact CZ2-O 3.41Å; A548-A552 WeakPolarHBondContact O-CB 3.27Å; A548-A552 PolarHBondContact O-N 2.79Å; A548-A552 VanDerWaalsContact O-N 3.08Å; H550-A552 PolarHBondContact O-N 3.08Å; A552-L554 VanDerWaalsContact C-N 3.27Å; A552-L554 PolarHBondContact O-N 3.22Å; A552-E555 WeakPolarHBondContact O-CB 3.33Å; A552-E555 PolarHBondContact O-N 3.47Å; A552-Y556 PolarHBondContact O-N 3.34Å
553	M	82	Confident	85.5	Confident	97 Å²	97	72.9 Å²	72.9	48%	0.478	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-35	172.8	-80.5	-178.8	-69.1	0	0	113	T549 H550 Y556 D557	T549-M553 WeakPolarHBondContact O-CB 3.47Å; T549-M553 WeakPolarHBondContact O-CE 3.46Å; T549-M553 VanDerWaalsContact O-CG 3.26Å; T549-M553 WeakPolarHBondContact O-CG 3.36Å; T549-M553 PolarHBondContact O-N 2.8Å; H550-M553 PolarHBondContact O-N 3.23Å; H550-M553 VanDerWaalsContact O-N 3.11Å; M553-Y556 PolarHBondContact O-N 2.87Å; M553-D557 PolarHBondContact O-N 3.03Å; M553-D557 VanDerWaalsContact O-N 3.09Å
554	L	85.3	Confident	85.5	Confident	99 Å²	99	69.2 Å²	69.2	52%	0.518	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-44.7	174	-63.6	168.8	0	0	0	112	H550 I551 A552 Y556 D557 E558	H550-L554 WeakPolarHBondContact O-CG 3.31Å; H550-L554 PolarHBondContact O-N 2.83Å; I551-L554 WeakPolarHBondContact O-CB 3.29Å; I551-L554 PolarHBondContact O-N 2.83Å; I551-L554 VanDerWaalsContact O-N 3.12Å; A552-L554 VanDerWaalsContact C-N 3.27Å; A552-L554 PolarHBondContact O-N 3.22Å; L554-Y556 PolarHBondContact O-N 2.98Å; L554-D557 PolarHBondContact O-N 2.82Å; L554-E558 WeakPolarHBondContact O-CB 3.41Å; L554-E558 PolarHBondContact O-N 3.4Å
555	E	85.6	Confident	85.5	Confident	79 Å²	79	66.2 Å²	66.2	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-56.2	-39.2	173.1	-66.9	174.1	-175.3	0	0	111.8	I551 A552 M559	I551-E555 PolarHBondContact O-N 2.83Å; A552-E555 WeakPolarHBondContact O-CB 3.33Å; A552-E555 PolarHBondContact O-N 3.47Å; E555-M559 WeakPolarHBondContact O-CB 3.48Å; E555-M559 WeakPolarHBondContact O-CG 3.43Å; E555-M559 PolarHBondContact O-N 3.36Å
556	Y	82.4	Confident	85.7	Confident	75 Å²	75	63.2 Å²	63.2	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-40.4	-179.4	-179	-100.8	0	0	0	112.7	W460 A552 M553 L554 L560	W460-Y556 HydrophobicContact CD2-CD2 4.32Å; W460-Y556 HydrophobicContact CG-CD2 4.33Å; A552-Y556 PolarHBondContact O-N 3.34Å; M553-Y556 PolarHBondContact O-N 2.87Å; L554-Y556 PolarHBondContact O-N 2.98Å; Y556-L560 HydrophobicContact CD1-CD1 4.11Å; Y556-L560 HydrophobicContact CE1-CD1 3.56Å; Y556-L560 HydrophobicContact CE1-CG 4.33Å; Y556-L560 WeakPolarHBondContact O-CG 3.45Å; Y556-L560 PolarHBondContact O-N 3.1Å
557	D	83.9	Confident	85.8	Confident	59 Å²	59	56.8 Å²	56.8	32%	0.316	30%	0.295	S	S	.	.	H	α-helix	trans	-73.6	-37.6	177.8	-67.3	-28.7	0	0	0	111	M553 L554 M559 L560 S561	M553-D557 PolarHBondContact O-N 3.03Å; M553-D557 VanDerWaalsContact O-N 3.09Å; L554-D557 PolarHBondContact O-N 2.82Å; D557-M559 PolarHBondContact O-N 3.11Å; D557-L560 WeakPolarHBondContact O-CB 3.2Å; D557-L560 PolarHBondContact O-N 3.19Å; D557-L560 VanDerWaalsContact O-N 3.07Å; D557-S561 PolarHBondContact O-N 3.48Å
558	E	85.3	Confident	85.9	Confident	133 Å²	133	52.3 Å²	52.3	62%	0.621	27%	0.272	S	S	*	.	H	α-helix	trans	-57.4	-47.5	169.6	-175.3	172	-149.8	0	0	111.5	L554 L560 S561 D562	L554-E558 WeakPolarHBondContact O-CB 3.41Å; L554-E558 PolarHBondContact O-N 3.4Å; E558-L560 PolarHBondContact O-N 3.08Å; E558-S561 WeakPolarHBondContact O-CB 3.24Å; E558-S561 PolarHBondContact O-N 3.05Å; E558-S561 VanDerWaalsContact O-N 3.13Å; E558-D562 PolarHBondContact O-N 3.23Å
559	M	83.8	Confident	86	Confident	38 Å²	38	53 Å²	53	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-26	174.5	-76.5	179.5	64.4	0	0	114	P454 M457 E555 D557 E563	P454-M559 HydrophobicContact CG-CE 3.64Å; P454-M559 HydrophobicContact CG-SD 3.94Å; M457-M559 HydrophobicContact CB-CE 3.76Å; M457-M559 HydrophobicContact CG-CE 3.82Å; E555-M559 WeakPolarHBondContact O-CB 3.48Å; E555-M559 WeakPolarHBondContact O-CG 3.43Å; E555-M559 PolarHBondContact O-N 3.36Å; D557-M559 PolarHBondContact O-N 3.11Å; M559-E563 PolarHBondContact O-N 2.77Å
560	L	85.3	Confident	86.4	Confident	28 Å²	28	51.9 Å²	51.9	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-79.4	-39.5	173.4	-71.8	176.1	0	0	0	111.8	Y556 D557 E558 D562 E563 W564	Y556-L560 HydrophobicContact CD1-CD1 4.11Å; Y556-L560 HydrophobicContact CE1-CD1 3.56Å; Y556-L560 HydrophobicContact CE1-CG 4.33Å; Y556-L560 WeakPolarHBondContact O-CG 3.45Å; Y556-L560 PolarHBondContact O-N 3.1Å; D557-L560 WeakPolarHBondContact O-CB 3.2Å; D557-L560 PolarHBondContact O-N 3.19Å; D557-L560 VanDerWaalsContact O-N 3.07Å; E558-L560 PolarHBondContact O-N 3.08Å; L560-D562 VanDerWaalsContact C-N 3.28Å; L560-D562 PolarHBondContact O-N 2.92Å; L560-E563 PolarHBondContact O-N 2.91Å; L560-W564 PolarHBondContact O-N 2.7Å
561	S	86.3	Confident	86.7	Confident	43 Å²	43	48.1 Å²	48.1	30%	0.301	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-38.9	171.9	-171.6	0	0	0	0	111.8	D557 E558 W564 S565	D557-S561 PolarHBondContact O-N 3.48Å; E558-S561 WeakPolarHBondContact O-CB 3.24Å; E558-S561 PolarHBondContact O-N 3.05Å; E558-S561 VanDerWaalsContact O-N 3.13Å; S561-W564 PolarHBondContact O-N 2.77Å; S561-S565 WeakPolarHBondContact O-CB 3.43Å; S561-S565 PolarHBondContact O-N 3.05Å; S561-S565 PolarHBondContact O-OG 3.03Å
562	D	86.2	Confident	86.9	Confident	101 Å²	101	44.1 Å²	44.1	54%	0.54	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-43	172.7	-95.2	-2.5	0	0	0	112.9	E558 L560 W564 S565 Y566	E558-D562 PolarHBondContact O-N 3.23Å; L560-D562 VanDerWaalsContact C-N 3.28Å; L560-D562 PolarHBondContact O-N 2.92Å; D562-W564 VanDerWaalsContact C-N 3.32Å; D562-W564 PolarHBondContact O-N 3.01Å; D562-S565 PolarHBondContact O-N 3.15Å; D562-Y566 VanDerWaalsContact O-CB 3.28Å; D562-Y566 WeakPolarHBondContact O-CB 3.2Å; D562-Y566 PolarHBondContact O-N 2.83Å
563	E	87.7	Confident	87.3	Confident	21 Å²	21	48.2 Å²	48.2	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-38.8	174	-86.2	-157.7	166.2	0	0	111.5	R435 L439 R453 M559 L560 V567	R435-E563 IonicContact CZ-OE1 2.72Å; R435-E563 IonicContact CZ-OE2 3.85Å; R435-E563 IonicContact NE-OE1 2.64Å; R435-E563 IonicContact NE-OE2 3.56Å; R435-E563 PolarHBondContact NE-OE2 2.92Å; R435-E563 IonicContact NH2-OE1 3.11Å; R435-E563 IonicContact NH2-OE2 3.73Å; R435-E563 PolarHBondContact NH2-OE2 2.94Å; L439-E563 VanDerWaalsContact CD1-CD 3.46Å; L439-E563 HydrophobicContact CD1-CG 4.02Å; L439-E563 VanDerWaalsContact CD1-OE1 3.28Å; L439-E563 WeakPolarHBondContact CD1-OE1 3.49Å; R453-E563 IonicContact NE-OE1 4Å; R453-E563 IonicContact NH2-OE1 2.9Å; R453-E563 PolarHBondContact NH2-OE1 2.83Å; M559-E563 PolarHBondContact O-N 2.77Å; L560-E563 PolarHBondContact O-N 2.91Å; E563-V567 WeakPolarHBondContact O-CG2 3.4Å; E563-V567 PolarHBondContact O-N 2.86Å; E563-V567 VanDerWaalsContact O-N 3.17Å
564	W	88.9	Confident	87.8	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-45.3	176.2	-78.2	114.5	0	0	0	112.7	I420 R423 H428 M430 M434 L560 S561 D562 Y566 V567 A568	I420-W564 HydrophobicContact CG2-CE3 4.04Å; I420-W564 HydrophobicContact CG2-CZ3 4.4Å; R423-W564 HydrophobicContact CB-CD2 3.73Å; R423-W564 HydrophobicContact CB-CE3 4Å; R423-W564 HydrophobicContact CB-CG 4Å; R423-W564 HydrophobicContact CB-CZ2 4.39Å; R423-W564 HydrophobicContact CB-CZ3 4.44Å; R423-W564 WeakPolarHBondContact O-CB 3.44Å; H428-W564 HydrophobicContact CB-CH2 4.23Å; H428-W564 HydrophobicContact CB-CZ2 3.65Å; H428-W564 WeakPolarHBondContact O-CZ2 3.48Å; H428-W564 PolarHBondContact O-NE1 2.77Å; M430-W564 HydrophobicContact CB-CH2 4.28Å; M430-W564 HydrophobicContact CB-CZ2 3.84Å; M430-W564 HydrophobicContact CG-CH2 4.33Å; M430-W564 HydrophobicContact CG-CZ2 4.33Å; M434-W564 HydrophobicContact CE-CE3 4.25Å; M434-W564 HydrophobicContact CE-CH2 4.47Å; M434-W564 HydrophobicContact CE-CZ3 3.57Å; M434-W564 HydrophobicContact SD-CH2 4.15Å; M434-W564 HydrophobicContact SD-CZ3 3.81Å; L560-W564 PolarHBondContact O-N 2.7Å; S561-W564 PolarHBondContact O-N 2.77Å; D562-W564 VanDerWaalsContact C-N 3.32Å; D562-W564 PolarHBondContact O-N 3.01Å; W564-Y566 PolarHBondContact O-N 2.91Å; W564-V567 WeakPolarHBondContact O-CB 3.31Å; W564-V567 PolarHBondContact O-N 3.39Å; W564-V567 VanDerWaalsContact O-N 3.15Å; W564-A568 PolarHBondContact O-N 3.21Å
565	S	87.9	Confident	88.1	Confident	29 Å²	29	43.8 Å²	43.8	20%	0.203	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-40.2	177.7	-62.1	0	0	0	0	112.1	S561 D562 V567 A568 S569	S561-S565 WeakPolarHBondContact O-CB 3.43Å; S561-S565 PolarHBondContact O-N 3.05Å; S561-S565 PolarHBondContact O-OG 3.03Å; D562-S565 PolarHBondContact O-N 3.15Å; S565-V567 VanDerWaalsContact C-N 3.32Å; S565-V567 PolarHBondContact O-N 3.46Å; S565-A568 PolarHBondContact O-N 3.12Å; S565-S569 PolarHBondContact O-N 3.28Å
566	Y	88.7	Confident	88.4	Confident	26 Å²	26	42.1 Å²	42.1	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-40.2	172.6	-175.2	-96.5	0	0	0	111.7	L439 P443 M448 N449 M450 P451 D562 W564 S569 V570	L439-Y566 HydrophobicContact CD2-CD1 3.58Å; L439-Y566 HydrophobicContact CD2-CE1 4.11Å; P443-Y566 HydrophobicContact CG-CE1 3.97Å; M448-Y566 HydrophobicContact CE-CE2 4.03Å; N449-Y566 WeakPolarHBondContact O-CE2 3.25Å; N449-Y566 PolarHBondContact O-OH 2.95Å; M450-Y566 WeakPolarHBondContact CA-OH 3.5Å; M450-Y566 HydrophobicContact CG-CE1 4.41Å; P451-Y566 VanDerWaalsContact CD-CD2 3.41Å; P451-Y566 HydrophobicContact CG-CD2 4.05Å; P451-Y566 HydrophobicContact CG-CE2 4.4Å; D562-Y566 VanDerWaalsContact O-CB 3.28Å; D562-Y566 WeakPolarHBondContact O-CB 3.2Å; D562-Y566 PolarHBondContact O-N 2.83Å; W564-Y566 PolarHBondContact O-N 2.91Å; Y566-S569 WeakPolarHBondContact O-CB 3.27Å; Y566-S569 PolarHBondContact O-N 2.99Å; Y566-V570 HydrophobicContact CD1-CG2 3.86Å; Y566-V570 HydrophobicContact CE1-CG2 3.49Å; Y566-V570 VanDerWaalsContact CE1-CG2 3.49Å; Y566-V570 VanDerWaalsContact O-CG2 3.32Å; Y566-V570 WeakPolarHBondContact O-CG2 3.37Å; Y566-V570 PolarHBondContact O-N 3.43Å
567	V	90.1	Very high	88.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-39.1	177.7	172.6	0	0	0	0	111.6	I420 M430 M434 F438 L439 E563 W564 S565 S569 V570 I571	I420-V567 HydrophobicContact CG2-CG1 4.3Å; M430-V567 HydrophobicContact CE-CB 4.49Å; M430-V567 HydrophobicContact CE-CG2 3.4Å; M430-V567 VanDerWaalsContact CE-CG2 3.4Å; M434-V567 HydrophobicContact CE-CG1 3.62Å; F438-V567 HydrophobicContact CB-CB 4.33Å; F438-V567 HydrophobicContact CB-CG1 3.72Å; F438-V567 HydrophobicContact CB-CG2 3.92Å; F438-V567 HydrophobicContact CD1-CG1 4.2Å; F438-V567 HydrophobicContact CD2-CG1 4.12Å; F438-V567 HydrophobicContact CG-CG1 3.76Å; L439-V567 HydrophobicContact CD2-CG2 3.6Å; L439-V567 HydrophobicContact CG-CG2 4.39Å; E563-V567 WeakPolarHBondContact O-CG2 3.4Å; E563-V567 PolarHBondContact O-N 2.86Å; E563-V567 VanDerWaalsContact O-N 3.17Å; W564-V567 WeakPolarHBondContact O-CB 3.31Å; W564-V567 PolarHBondContact O-N 3.39Å; W564-V567 VanDerWaalsContact O-N 3.15Å; S565-V567 VanDerWaalsContact C-N 3.32Å; S565-V567 PolarHBondContact O-N 3.46Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 2.93Å; V567-V570 PolarHBondContact O-N 3.1Å; V567-I571 HydrophobicContact CG1-CD1 3.92Å; V567-I571 HydrophobicContact CG1-CG1 4.49Å; V567-I571 WeakPolarHBondContact O-CD1 3.36Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.46Å; V567-I571 PolarHBondContact O-N 3.44Å
568	A	90.2	Very high	89.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-44.4	171.3	0	0	0	0	0	111.6	I420 N421 W564 S565 V570 I571 D572	I420-A568 HydrophobicContact CG2-CB 4.26Å; N421-A568 HydrophobicContact CB-CB 3.7Å; W564-A568 PolarHBondContact O-N 3.21Å; S565-A568 PolarHBondContact O-N 3.12Å; A568-V570 PolarHBondContact O-N 3.04Å; A568-I571 WeakPolarHBondContact O-CB 3.47Å; A568-I571 PolarHBondContact O-N 3.29Å; A568-D572 PolarHBondContact O-N 2.99Å
569	S	88.7	Confident	89.7	Confident	58 Å²	58	37.3 Å²	37.3	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-37.9	175.2	-174	0	0	0	0	113.6	S565 Y566 V567 D572 R573	S565-S569 PolarHBondContact O-N 3.28Å; Y566-S569 WeakPolarHBondContact O-CB 3.27Å; Y566-S569 PolarHBondContact O-N 2.99Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 2.93Å; S569-D572 PolarHBondContact O-N 3.13Å; S569-R573 PolarHBondContact O-N 2.86Å
570	V	91.4	Very high	90.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-38.4	174.1	174.5	0	0	0	0	111.4	F438 L442 P443 L446 M448 Y566 V567 A568 L574	F438-V570 HydrophobicContact CD1-CB 4.49Å; F438-V570 HydrophobicContact CD1-CG1 3.93Å; L442-V570 HydrophobicContact CB-CG1 3.71Å; L442-V570 HydrophobicContact CD1-CG1 4.33Å; P443-V570 HydrophobicContact CG-CG1 4.45Å; P443-V570 HydrophobicContact CG-CG2 4.01Å; L446-V570 HydrophobicContact CD1-CG1 3.97Å; M448-V570 HydrophobicContact CE-CG2 3.79Å; M448-V570 HydrophobicContact SD-CB 4.3Å; M448-V570 HydrophobicContact SD-CG2 3.71Å; Y566-V570 HydrophobicContact CD1-CG2 3.86Å; Y566-V570 HydrophobicContact CE1-CG2 3.49Å; Y566-V570 VanDerWaalsContact CE1-CG2 3.49Å; Y566-V570 VanDerWaalsContact O-CG2 3.32Å; Y566-V570 WeakPolarHBondContact O-CG2 3.37Å; Y566-V570 PolarHBondContact O-N 3.43Å; V567-V570 PolarHBondContact O-N 3.1Å; A568-V570 PolarHBondContact O-N 3.04Å; V570-L574 WeakPolarHBondContact O-CB 3.39Å; V570-L574 PolarHBondContact O-N 2.85Å; V570-L574 VanDerWaalsContact O-N 3.08Å
571	I	90.8	Very high	90.4	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-46.5	174.8	-67	162.1	0	0	0	110.2	T417 I420 F438 V567 A568 R573 L574 F575	T417-I571 HydrophobicContact CG2-CB 4.24Å; T417-I571 HydrophobicContact CG2-CG2 3.59Å; I420-I571 HydrophobicContact CD1-CD1 3.62Å; I420-I571 HydrophobicContact CG2-CD1 4.18Å; F438-I571 HydrophobicContact CD1-CD1 4.47Å; F438-I571 HydrophobicContact CD1-CG1 3.78Å; F438-I571 HydrophobicContact CE1-CD1 4.08Å; F438-I571 HydrophobicContact CE1-CG1 3.32Å; F438-I571 HydrophobicContact CZ-CD1 4.27Å; F438-I571 HydrophobicContact CZ-CG1 3.93Å; V567-I571 HydrophobicContact CG1-CD1 3.92Å; V567-I571 HydrophobicContact CG1-CG1 4.49Å; V567-I571 WeakPolarHBondContact O-CD1 3.36Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.46Å; V567-I571 PolarHBondContact O-N 3.44Å; A568-I571 WeakPolarHBondContact O-CB 3.47Å; A568-I571 PolarHBondContact O-N 3.29Å; I571-R573 PolarHBondContact O-N 3.09Å; I571-L574 WeakPolarHBondContact O-CB 3.26Å; I571-L574 PolarHBondContact O-N 3.03Å; I571-F575 HydrophobicContact CG2-CD2 3.62Å; I571-F575 HydrophobicContact CG2-CE2 3.68Å; I571-F575 WeakPolarHBondContact O-CD2 3.08Å; I571-F575 PolarHBondContact O-N 3.41Å
572	D	92	Very high	90.8	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-48.8	177	-90.7	-34.5	0	0	0	112.1	K364 A568 S569 L574 F575 L576	K364-D572 IonicContact NZ-OD1 3.72Å; K364-D572 PolarHBondContact NZ-OD1 2.99Å; K364-D572 IonicContact NZ-OD2 3.9Å; K364-D572 PolarHBondContact NZ-OD2 2.57Å; A568-D572 PolarHBondContact O-N 2.99Å; S569-D572 PolarHBondContact O-N 3.13Å; D572-L574 VanDerWaalsContact C-N 3.28Å; D572-L574 PolarHBondContact O-N 3.13Å; D572-F575 PolarHBondContact O-N 3.45Å; D572-L576 WeakPolarHBondContact O-CB 3.41Å; D572-L576 PolarHBondContact O-N 3.13Å
573	R	90.9	Very high	91	Very high	101 Å²	101	36.4 Å²	36.4	38%	0.381	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-29.8	178.8	-168.2	-179.8	176.8	137.2	-17.2	113	L446 R447 M448 S569 I571 I577	L446-R573 HydrophobicContact CD1-CB 4.48Å; L446-R573 VanDerWaalsContact O-CZ 3.28Å; L446-R573 PolarHBondContact O-NE 3.47Å; L446-R573 PolarHBondContact O-NH2 3.02Å; R447-R573 PolarHBondContact O-NH2 3.39Å; M448-R573 HydrophobicContact SD-CB 4.15Å; M448-R573 WeakPolarHBondContact SD-CD 3.09Å; M448-R573 HydrophobicContact SD-CG 4.43Å; S569-R573 PolarHBondContact O-N 2.86Å; I571-R573 PolarHBondContact O-N 3.09Å; R573-I577 WeakPolarHBondContact O-CG1 3.33Å; R573-I577 PolarHBondContact O-N 3.25Å
574	L	91.9	Very high	91.2	Very high	46 Å²	46	40 Å²	40	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-49.6	171.7	177.7	62.5	0	0	0	111	L442 L446 V570 I571 D572 I577 I578	L442-L574 HydrophobicContact CD1-CD2 4.24Å; L442-L574 HydrophobicContact CD2-CD1 4.41Å; L442-L574 HydrophobicContact CD2-CD2 4.36Å; L446-L574 HydrophobicContact CD1-CB 4.24Å; L446-L574 HydrophobicContact CD2-CD1 4.44Å; V570-L574 WeakPolarHBondContact O-CB 3.39Å; V570-L574 PolarHBondContact O-N 2.85Å; V570-L574 VanDerWaalsContact O-N 3.08Å; I571-L574 WeakPolarHBondContact O-CB 3.26Å; I571-L574 PolarHBondContact O-N 3.03Å; D572-L574 VanDerWaalsContact C-N 3.28Å; D572-L574 PolarHBondContact O-N 3.13Å; L574-I577 PolarHBondContact O-N 3.39Å; L574-I578 HydrophobicContact CD1-CD1 4.1Å; L574-I578 HydrophobicContact CG-CD1 3.98Å; L574-I578 WeakPolarHBondContact O-CG1 3.5Å; L574-I578 PolarHBondContact O-N 3.18Å; L574-I578 VanDerWaalsContact O-N 3.16Å
575	F	92.5	Very high	91.4	Very high	57 Å²	57	46.7 Å²	46.7	25%	0.25	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-34.7	179.3	-80.6	-70.3	0	0	0	112.9	F355 V413 I571 D572 I577 I578 F579	F355-F575 HydrophobicContact CD1-CB 3.93Å; F355-F575 HydrophobicContact CE1-CB 3.86Å; F355-F575 HydrophobicContact CG-CB 4.34Å; F355-F575 HydrophobicContact CZ-CB 4.2Å; V413-F575 HydrophobicContact CG1-CB 4.21Å; V413-F575 HydrophobicContact CG1-CD1 4.12Å; V413-F575 HydrophobicContact CG1-CD2 3.33Å; V413-F575 HydrophobicContact CG1-CE1 4.32Å; V413-F575 HydrophobicContact CG1-CE2 3.56Å; V413-F575 HydrophobicContact CG1-CG 3.63Å; V413-F575 HydrophobicContact CG1-CZ 4.06Å; V413-F575 HydrophobicContact CG2-CD1 4.18Å; V413-F575 HydrophobicContact CG2-CE1 3.85Å; V413-F575 HydrophobicContact CG2-CE2 4.23Å; V413-F575 HydrophobicContact CG2-CZ 3.87Å; I571-F575 HydrophobicContact CG2-CD2 3.62Å; I571-F575 HydrophobicContact CG2-CE2 3.68Å; I571-F575 WeakPolarHBondContact O-CD2 3.08Å; I571-F575 PolarHBondContact O-N 3.41Å; D572-F575 PolarHBondContact O-N 3.45Å; F575-I577 VanDerWaalsContact C-N 3.28Å; F575-I577 PolarHBondContact O-N 3.46Å; F575-I578 HydrophobicContact CD1-CD1 4.35Å; F575-I578 PolarHBondContact O-N 3.32Å; F575-I578 VanDerWaalsContact O-N 3.17Å; F575-F579 HydrophobicContact CB-CD2 4.21Å; F575-F579 HydrophobicContact CD1-CD2 4.14Å; F575-F579 AromaticContact CD1-CE2 3.86Å; F575-F579 HydrophobicContact CD1-CE2 3.86Å; F575-F579 WeakPolarHBondContact O-CB 3.44Å; F575-F579 WeakPolarHBondContact O-CD2 3.38Å; F575-F579 PolarHBondContact O-N 3.19Å
576	L	92.7	Very high	91.5	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-51.8	-47.8	171.5	-170.2	161	0	0	0	111.1	T352 F355 Y356 D572 S580	T352-L576 HydrophobicContact CG2-CG 4.49Å; F355-L576 HydrophobicContact CB-CB 3.71Å; F355-L576 HydrophobicContact CB-CD1 4.44Å; F355-L576 HydrophobicContact CB-CG 4.24Å; Y356-L576 HydrophobicContact CD2-CD1 4.15Å; D572-L576 WeakPolarHBondContact O-CB 3.41Å; D572-L576 PolarHBondContact O-N 3.13Å; L576-S580 WeakPolarHBondContact O-CB 3.4Å; L576-S580 PolarHBondContact O-N 3.03Å
577	I	91.7	Very high	91.5	Very high	79 Å²	79	46.4 Å²	46.4	41%	0.405	24%	0.244	S	C	.	.	H	α-helix	trans	-67.2	-44.8	178.8	-65.5	174.3	0	0	0	111.2	L446 R573 L574 F575 S580 V581	L446-I577 HydrophobicContact CD2-CD1 3.62Å; R573-I577 WeakPolarHBondContact O-CG1 3.33Å; R573-I577 PolarHBondContact O-N 3.25Å; L574-I577 PolarHBondContact O-N 3.39Å; F575-I577 VanDerWaalsContact C-N 3.28Å; F575-I577 PolarHBondContact O-N 3.46Å; I577-S580 PolarHBondContact O-N 3.28Å; I577-V581 WeakPolarHBondContact O-CG2 3.44Å; I577-V581 PolarHBondContact O-N 3.26Å
578	I	92.6	Very high	91.4	Very high	77 Å²	77	51 Å²	51	40%	0.395	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-52.4	179.8	-66.3	166.7	0	0	0	110.7	L574 F575 S580 V581 V582	L574-I578 HydrophobicContact CD1-CD1 4.1Å; L574-I578 HydrophobicContact CG-CD1 3.98Å; L574-I578 WeakPolarHBondContact O-CG1 3.5Å; L574-I578 PolarHBondContact O-N 3.18Å; L574-I578 VanDerWaalsContact O-N 3.16Å; F575-I578 HydrophobicContact CD1-CD1 4.35Å; F575-I578 PolarHBondContact O-N 3.32Å; F575-I578 VanDerWaalsContact O-N 3.17Å; I578-S580 PolarHBondContact O-N 3.06Å; I578-V581 PolarHBondContact O-N 3.08Å; I578-V582 HydrophobicContact CG2-CG2 4.49Å; I578-V582 WeakPolarHBondContact O-CB 3.38Å; I578-V582 VanDerWaalsContact O-CG2 3.26Å; I578-V582 WeakPolarHBondContact O-CG2 3.24Å; I578-V582 PolarHBondContact O-N 2.92Å
579	F	93.1	Very high	91.3	Very high	10 Å²	10	53 Å²	53	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-35.9	179.1	-84.9	-88.3	0	0	0	112.4	F355 L406 V409 F575 V582 N583	F355-F579 HydrophobicContact CD2-CB 4.29Å; F355-F579 HydrophobicContact CD2-CD2 4.21Å; F355-F579 HydrophobicContact CD2-CG 4.36Å; F355-F579 HydrophobicContact CE2-CB 3.92Å; F355-F579 HydrophobicContact CE2-CD1 4.18Å; F355-F579 AromaticContact CE2-CD2 3.31Å; F355-F579 HydrophobicContact CE2-CD2 3.31Å; F355-F579 AromaticContact CE2-CE2 3.77Å; F355-F579 HydrophobicContact CE2-CE2 3.77Å; F355-F579 AromaticContact CE2-CG 3.53Å; F355-F579 HydrophobicContact CE2-CG 3.53Å; F355-F579 HydrophobicContact CE2-CZ 4.37Å; F355-F579 AromaticContact CZ-CD2 3.55Å; F355-F579 HydrophobicContact CZ-CD2 3.55Å; F355-F579 AromaticContact CZ-CE2 3.53Å; F355-F579 HydrophobicContact CZ-CE2 3.53Å; F355-F579 HydrophobicContact CZ-CG 4.19Å; F355-F579 HydrophobicContact CZ-CZ 4.15Å; L406-F579 HydrophobicContact CB-CD1 4.48Å; L406-F579 HydrophobicContact CB-CE1 4.1Å; L406-F579 HydrophobicContact CD2-CD1 4.28Å; L406-F579 HydrophobicContact CD2-CE1 3.96Å; L406-F579 WeakPolarHBondContact O-CE1 3.42Å; V409-F579 HydrophobicContact CB-CZ 4.26Å; V409-F579 HydrophobicContact CG1-CZ 3.97Å; F575-F579 HydrophobicContact CB-CD2 4.21Å; F575-F579 HydrophobicContact CD1-CD2 4.14Å; F575-F579 AromaticContact CD1-CE2 3.86Å; F575-F579 HydrophobicContact CD1-CE2 3.86Å; F575-F579 WeakPolarHBondContact O-CB 3.44Å; F575-F579 WeakPolarHBondContact O-CD2 3.38Å; F575-F579 PolarHBondContact O-N 3.19Å; F579-V582 PolarHBondContact O-N 2.8Å; F579-N583 VanDerWaalsContact O-CB 3.23Å; F579-N583 WeakPolarHBondContact O-CB 3.45Å; F579-N583 PolarHBondContact O-N 2.61Å; F579-N583 PolarHBondContact O-ND2 2.98Å; F579-N583 VanDerWaalsContact O-ND2 3.13Å
580	S	92.2	Very high	91.3	Very high	40 Å²	40	51.2 Å²	51.2	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-51.7	173.5	-177.1	0	0	0	0	111.4	L576 I577 I578 V582 N583 I584	L576-S580 WeakPolarHBondContact O-CB 3.4Å; L576-S580 PolarHBondContact O-N 3.03Å; I577-S580 PolarHBondContact O-N 3.28Å; I578-S580 PolarHBondContact O-N 3.06Å; S580-V582 VanDerWaalsContact C-N 3.35Å; S580-V582 PolarHBondContact O-N 2.92Å; S580-N583 PolarHBondContact O-N 3.05Å; S580-I584 WeakPolarHBondContact O-CB 3.23Å; S580-I584 WeakPolarHBondContact O-CD1 3.2Å; S580-I584 WeakPolarHBondContact O-CG1 3.28Å; S580-I584 PolarHBondContact O-N 3.36Å
581	V	93.1	Very high	90.9	Very high	92 Å²	92	53 Å²	53	56%	0.558	28%	0.279	S	S	*	.	H	α-helix	trans	-61.2	-42.9	178.4	171.7	0	0	0	0	111.5	I577 I578 F585	I577-V581 WeakPolarHBondContact O-CG2 3.44Å; I577-V581 PolarHBondContact O-N 3.26Å; I578-V581 PolarHBondContact O-N 3.08Å; V581-F585 VanDerWaalsContact O-CB 3.3Å; V581-F585 WeakPolarHBondContact O-CB 3.43Å; V581-F585 PolarHBondContact O-N 3.5Å
582	V	93.6	Very high	90.6	Very high	51 Å²	51	56.8 Å²	56.8	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-40.4	-179.7	172.5	0	0	0	0	112.1	F402 L406 I578 F579 S580 G586	F402-V582 HydrophobicContact CE2-CG1 4.22Å; F402-V582 HydrophobicContact CZ-CG1 3.74Å; L406-V582 HydrophobicContact CD1-CG1 4.04Å; L406-V582 HydrophobicContact CD2-CG1 3.77Å; I578-V582 HydrophobicContact CG2-CG2 4.49Å; I578-V582 WeakPolarHBondContact O-CB 3.38Å; I578-V582 VanDerWaalsContact O-CG2 3.26Å; I578-V582 WeakPolarHBondContact O-CG2 3.24Å; I578-V582 PolarHBondContact O-N 2.92Å; F579-V582 PolarHBondContact O-N 2.8Å; S580-V582 VanDerWaalsContact C-N 3.35Å; S580-V582 PolarHBondContact O-N 2.92Å; V582-G586 PolarHBondContact O-N 3.32Å
583	N	91.5	Very high	90.2	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-41.9	174.6	-83.2	-45.8	0	0	0	112.1	A348 T351 T352 L406 F579 S580 T587	A348-N583 PolarHBondContact O-ND2 3.08Å; T351-N583 PolarHBondContact OG1-ND2 3.47Å; T352-N583 PolarHBondContact OG1-ND2 3.09Å; L406-N583 VanDerWaalsContact CD1-OD1 3.27Å; L406-N583 WeakPolarHBondContact CD1-OD1 3.44Å; F579-N583 VanDerWaalsContact O-CB 3.23Å; F579-N583 WeakPolarHBondContact O-CB 3.45Å; F579-N583 PolarHBondContact O-N 2.61Å; F579-N583 PolarHBondContact O-ND2 2.98Å; F579-N583 VanDerWaalsContact O-ND2 3.13Å; S580-N583 PolarHBondContact O-N 3.05Å; N583-T587 VanDerWaalsContact O-CB 3.28Å; N583-T587 WeakPolarHBondContact O-CB 3.42Å; N583-T587 PolarHBondContact O-N 3.46Å; N583-T587 PolarHBondContact O-OG1 2.87Å
584	I	91.6	Very high	89.4	Confident	96 Å²	96	56.2 Å²	56.2	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-50.5	175.7	-70.2	165.6	0	0	0	110	S580 G586 T587 I588	S580-I584 WeakPolarHBondContact O-CB 3.23Å; S580-I584 WeakPolarHBondContact O-CD1 3.2Å; S580-I584 WeakPolarHBondContact O-CG1 3.28Å; S580-I584 PolarHBondContact O-N 3.36Å; I584-G586 PolarHBondContact O-N 2.95Å; I584-T587 PolarHBondContact O-N 3.41Å; I584-I588 HydrophobicContact CG2-CD1 3.69Å; I584-I588 HydrophobicContact CG2-CG1 4.48Å; I584-I588 VanDerWaalsContact O-CG1 3.32Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å
585	F	92.1	Very high	88.2	Confident	146 Å²	146	55.8 Å²	55.8	64%	0.64	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-43.2	179.7	-177.5	-96.7	0	0	0	112.6	V581 I588 T589	V581-F585 VanDerWaalsContact O-CB 3.3Å; V581-F585 WeakPolarHBondContact O-CB 3.43Å; V581-F585 PolarHBondContact O-N 3.5Å; F585-I588 PolarHBondContact O-N 3.28Å; F585-T589 WeakPolarHBondContact O-CB 3.48Å; F585-T589 PolarHBondContact O-N 3.02Å; F585-T589 PolarHBondContact O-OG1 2.89Å
586	G	90.6	Very high	86.9	Confident	10 Å²	10	58.6 Å²	58.6	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-40.2	176.5	0	0	0	0	0	112.9	V582 I584 T589 F590	V582-G586 PolarHBondContact O-N 3.32Å; I584-G586 PolarHBondContact O-N 2.95Å; G586-T589 PolarHBondContact O-N 3.36Å; G586-F590 WeakPolarHBondContact O-CB 3.35Å; G586-F590 PolarHBondContact O-N 2.92Å
587	T	88.8	Confident	85.4	Confident	39 Å²	39	63.9 Å²	63.9	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-71.2	-38.6	178.5	-54.6	0	0	0	0	111.9	T345 Y399 N583 I584 F590 A591	T345-T587 HydrophobicContact CG2-CG2 4.18Å; Y399-T587 PolarHBondContact OH-OG1 2.91Å; N583-T587 VanDerWaalsContact O-CB 3.28Å; N583-T587 WeakPolarHBondContact O-CB 3.42Å; N583-T587 PolarHBondContact O-N 3.46Å; N583-T587 PolarHBondContact O-OG1 2.87Å; I584-T587 PolarHBondContact O-N 3.41Å; T587-F590 PolarHBondContact O-N 3.49Å; T587-A591 WeakPolarHBondContact O-CB 3.45Å; T587-A591 PolarHBondContact O-N 3.28Å
588	I	88.6	Confident	84	Confident	98 Å²	98	67 Å²	67	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-44.5	172	-68.7	168.9	0	0	0	110.6	I584 F585 F590 A591 V592	I584-I588 HydrophobicContact CG2-CD1 3.69Å; I584-I588 HydrophobicContact CG2-CG1 4.48Å; I584-I588 VanDerWaalsContact O-CG1 3.32Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å; F585-I588 PolarHBondContact O-N 3.28Å; I588-F590 VanDerWaalsContact C-N 3.33Å; I588-F590 PolarHBondContact O-N 3.49Å; I588-A591 PolarHBondContact O-N 2.87Å; I588-V592 HydrophobicContact CG2-CG2 4.31Å; I588-V592 WeakPolarHBondContact O-CG2 3.37Å; I588-V592 PolarHBondContact O-N 3.36Å
589	T	88.1	Confident	82.8	Confident	42 Å²	42	65.8 Å²	65.8	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-44.3	177.7	-58.5	0	0	0	0	111.1	F585 G586 V592 Q593	F585-T589 WeakPolarHBondContact O-CB 3.48Å; F585-T589 PolarHBondContact O-N 3.02Å; F585-T589 PolarHBondContact O-OG1 2.89Å; G586-T589 PolarHBondContact O-N 3.36Å; T589-V592 PolarHBondContact O-N 3.34Å; T589-Q593 HydrophobicContact CG2-CG 4.43Å; T589-Q593 WeakPolarHBondContact O-CB 3.37Å; T589-Q593 VanDerWaalsContact O-CG 3.31Å; T589-Q593 WeakPolarHBondContact O-CG 3.28Å; T589-Q593 PolarHBondContact O-N 2.94Å
590	F	86.7	Confident	81.6	Confident	20 Å²	20	69 Å²	69	9%	0.088	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-48.5	173	171.2	-98.8	0	0	0	112.1	V341 M396 Y399 G586 T587 I588 V592 Q593 S594	V341-F590 HydrophobicContact CG1-CE1 3.72Å; V341-F590 HydrophobicContact CG1-CZ 4.1Å; M396-F590 HydrophobicContact SD-CE2 3.71Å; M396-F590 HydrophobicContact SD-CZ 3.7Å; Y399-F590 HydrophobicContact CD2-CB 3.82Å; Y399-F590 HydrophobicContact CD2-CD2 4.29Å; Y399-F590 HydrophobicContact CD2-CG 4.04Å; Y399-F590 HydrophobicContact CE2-CB 4.27Å; Y399-F590 HydrophobicContact CG-CB 4.37Å; Y399-F590 AromaticContact CG-CD2 3.99Å; Y399-F590 HydrophobicContact CG-CD2 3.99Å; Y399-F590 HydrophobicContact CG-CG 4.13Å; G586-F590 WeakPolarHBondContact O-CB 3.35Å; G586-F590 PolarHBondContact O-N 2.92Å; T587-F590 PolarHBondContact O-N 3.49Å; I588-F590 VanDerWaalsContact C-N 3.33Å; I588-F590 PolarHBondContact O-N 3.49Å; F590-V592 VanDerWaalsContact C-N 3.3Å; F590-V592 PolarHBondContact O-N 2.89Å; F590-Q593 PolarHBondContact O-N 3.31Å; F590-S594 WeakPolarHBondContact O-CB 3.25Å; F590-S594 PolarHBondContact O-N 2.87Å; F590-S594 PolarHBondContact O-OG 3.45Å
591	A	84.1	Confident	80.9	Confident	36 Å²	36	74.8 Å²	74.8	30%	0.298	40%	0.398	S	S	.	.	H	α-helix	trans	-65.8	-28.1	-178.2	0	0	0	0	0	114.1	T587 I588 S594	T587-A591 WeakPolarHBondContact O-CB 3.45Å; T587-A591 PolarHBondContact O-N 3.28Å; I588-A591 PolarHBondContact O-N 2.87Å; A591-S594 WeakPolarHBondContact CA-OG 3.44Å; A591-S594 PolarHBondContact O-OG 2.89Å
592	V	84.7	Confident	80.3	Confident	91 Å²	91	78.4 Å²	78.4	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-84.6	-34	175.3	174.3	0	0	0	0	112	I588 T589 F590	I588-V592 HydrophobicContact CG2-CG2 4.31Å; I588-V592 WeakPolarHBondContact O-CG2 3.37Å; I588-V592 PolarHBondContact O-N 3.36Å; T589-V592 PolarHBondContact O-N 3.34Å; F590-V592 VanDerWaalsContact C-N 3.3Å; F590-V592 PolarHBondContact O-N 2.89Å
593	Q	83.1	Confident	79.8	Confident	91 Å²	91	78.9 Å²	78.9	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-78.2	-25	175.8	-72	179.5	-7.7	0	0	113	Y234 F395 T589 F590	Y234-Q593 WeakPolarHBondContact CE1-O 3.41Å; F395-Q593 HydrophobicContact CD1-CB 4.33Å; F395-Q593 HydrophobicContact CE1-CB 4.32Å; F395-Q593 VanDerWaalsContact CE1-OE1 3.25Å; T589-Q593 HydrophobicContact CG2-CG 4.43Å; T589-Q593 WeakPolarHBondContact O-CB 3.37Å; T589-Q593 VanDerWaalsContact O-CG 3.31Å; T589-Q593 WeakPolarHBondContact O-CG 3.28Å; T589-Q593 PolarHBondContact O-N 2.94Å; F590-Q593 PolarHBondContact O-N 3.31Å
594	S	74.9	Confident	79.3	Confident	8 Å²	8	80.5 Å²	80.5	6%	0.056	42%	0.424	C	S	.	.	S	Bend	trans	-70.4	129.8	167.8	64.1	0	0	0	0	110.3	F590 A591 F596	F590-S594 WeakPolarHBondContact O-CB 3.25Å; F590-S594 PolarHBondContact O-N 2.87Å; F590-S594 PolarHBondContact O-OG 3.45Å; A591-S594 WeakPolarHBondContact CA-OG 3.44Å; A591-S594 PolarHBondContact O-OG 2.89Å; S594-F596 PolarHBondContact O-N 2.92Å
595	S	66.6	Low	78.6	Confident	37 Å²	37	81.2 Å²	81.2	26%	0.259	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-65.8	9.8	-177.8	-52.4	0	0	0	0	115.5	Y234 F597 H598 D599	Y234-S595 WeakPolarHBondContact CD1-OG 3.32Å; S595-F597 PolarHBondContact O-N 3.46Å; S595-F597 VanDerWaalsContact O-N 3.07Å; S595-H598 PolarHBondContact O-N 2.87Å; S595-D599 PolarHBondContact O-N 3.33Å
596	F	64.9	Low	77.7	Confident	116 Å²	116	76.6 Å²	76.6	51%	0.509	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-52	-30.2	-176.6	-175.1	-100.1	0	0	0	114.4	Y237 S594	Y237-F596 HydrophobicContact CD1-CB 4.48Å; Y237-F596 HydrophobicContact CD1-CD2 4.11Å; Y237-F596 HydrophobicContact CE1-CB 4.45Å; Y237-F596 AromaticContact CE1-CD2 3.54Å; Y237-F596 HydrophobicContact CE1-CD2 3.54Å; Y237-F596 HydrophobicContact CE1-CE2 4.29Å; Y237-F596 HydrophobicContact CE1-CG 4.45Å; Y237-F596 AromaticContact CZ-CD2 3.93Å; S594-F596 PolarHBondContact O-N 2.92Å
597	F	61.1	Low	76.7	Confident	155 Å²	155	78.4 Å²	78.4	68%	0.68	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-106.1	-1.1	177.3	-63.1	-69.1	0	0	0	114.3	S595	S595-F597 PolarHBondContact O-N 3.46Å; S595-F597 VanDerWaalsContact O-N 3.07Å
598	H	61.4	Low	75.8	Confident	144 Å²	144	81.8 Å²	81.8	67%	0.667	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-19.2	-165.3	-76.5	-55.4	0	0	0	115.6	S595	S595-H598 PolarHBondContact O-N 2.87Å
599	D	67.5	Low	74.8	Confident	53 Å²	53	82.2 Å²	82.2	28%	0.283	45%	0.449	S	S	.	.			trans	-105.3	100.6	170.8	-175	28.6	0	0	0	112.7	R330 S595 R601	R330-D599 WeakPolarHBondContact CD-OD2 3.44Å; R330-D599 IonicContact CZ-OD2 3.59Å; R330-D599 IonicContact NE-OD2 2.91Å; R330-D599 IonicContact NH1-OD1 2.76Å; R330-D599 IonicContact NH1-OD2 3.58Å; R330-D599 PolarHBondContact NH1-OD2 2.93Å; S595-D599 PolarHBondContact O-N 3.33Å; D599-R601 WeakPolarHBondContact OD1-CB 3.39Å; D599-R601 VanDerWaalsContact OD1-CD 3.3Å; D599-R601 WeakPolarHBondContact OD1-CD 3.32Å; D599-R601 WeakPolarHBondContact OD1-CG 3.28Å; D599-R601 PolarHBondContact OD1-N 3.24Å; D599-R601 IonicContact OD1-NE 3.74Å
600	G	67.5	Low	73.4	Confident	77 Å²	77	84.4 Å²	84.4	79%	0.794	46%	0.462	S	S	*	.			trans	-97.1	12.5	172.2	0	0	0	0	0	114.4	M602	G600-M602 PolarHBondContact O-N 3.44Å
601	R	79.5	Confident	72.1	Confident	161 Å²	161	88.9 Å²	88.9	61%	0.608	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-64	133.7	-179.2	-68.1	168.2	-171.1	-141	1.3	110.8	L300 R330 D599	L300-R601 HydrophobicContact CD2-CB 4.47Å; R330-R601 PolarHBondContact NH1-O 2.94Å; R330-R601 PolarHBondContact NH2-O 3.46Å; D599-R601 WeakPolarHBondContact OD1-CB 3.39Å; D599-R601 VanDerWaalsContact OD1-CD 3.3Å; D599-R601 WeakPolarHBondContact OD1-CD 3.32Å; D599-R601 WeakPolarHBondContact OD1-CG 3.28Å; D599-R601 PolarHBondContact OD1-N 3.24Å; D599-R601 IonicContact OD1-NE 3.74Å
602	M	80	Confident	70.8	Confident	169 Å²	169	91.2 Å²	91.2	83%	0.833	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-70.8	147.7	166.6	-66.5	-177.1	177.3	0	0	109.5	G600	G600-M602 PolarHBondContact O-N 3.44Å
603	P	81.6	Confident	69.4	Low	61 Å²	61	91.6 Å²	91.6	40%	0.396	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-62	156.2	168.3	29.5	-35.2	0	0	0	110.6	D298 L299	D298-P603 HydrophobicContact CB-CB 4.32Å; L299-P603 WeakPolarHBondContact O-CA 3.34Å
604	L	81.7	Confident	67.8	Low	41 Å²	41	90.9 Å²	90.9	22%	0.215	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-59.6	124.7	177.5	-168.9	70.5	0	0	0	109.2	L288 L299 L302 V606	L288-L604 HydrophobicContact CD1-CD2 3.56Å; L299-L604 HydrophobicContact CD2-CD2 4.11Å; L299-L604 HydrophobicContact CG-CB 4.5Å; L299-L604 HydrophobicContact CG-CD2 4.39Å; L299-L604 PolarHBondContact O-N 3.26Å; L302-L604 HydrophobicContact CB-CD2 4.27Å; L604-V606 PolarHBondContact O-N 3.49Å; L604-V606 VanDerWaalsContact O-N 3.15Å
605	P	77.8	Confident	66.2	Low	110 Å²	110	92.4 Å²	92.4	71%	0.714	52%	0.52	S	S	*	.			trans	-68.7	115.7	-174	26.7	-33.5	0	0	0	110.5
606	V	72.6	Confident	65.2	Low	50 Å²	50	93.9 Å²	93.9	30%	0.303	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-65.9	125.5	178	-170.9	0	0	0	0	109.2	F291 E293 L604	F291-V606 HydrophobicContact CB-CG1 4.2Å; F291-V606 HydrophobicContact CD1-CG1 4.2Å; F291-V606 HydrophobicContact CD1-CG2 3.79Å; F291-V606 HydrophobicContact CE1-CG2 4.26Å; E293-V606 HydrophobicContact CG-CG2 4.18Å; L604-V606 PolarHBondContact O-N 3.49Å; L604-V606 VanDerWaalsContact O-N 3.15Å
607	P	70.2	Confident	64	Low	48 Å²	48	93.6 Å²	93.6	31%	0.312	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-64.2	150.2	177.6	26.5	-34.1	0	0	0	111	L288	L288-P607 HydrophobicContact CB-CG 4.09Å
608	P	69.3	Low	62.8	Low	110 Å²	110	90.9 Å²	90.9	71%	0.714	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-60.1	144.7	172.2	27.9	-34.6	0	0	0	109.7	T610	P608-T610 PolarHBondContact O-N 2.96Å
609	K	66.6	Low	61.6	Low	107 Å²	107	87.2 Å²	87.2	47%	0.465	52%	0.52	S	S	.	.			trans	-70.5	93.4	-174.6	-55.7	-158.3	174.3	-153.2	0	110.7	Y290 F291 Y292	Y290-K609 PolarHBondContact O-NZ 2.96Å; F291-K609 PolarHBondContact O-NZ 3.28Å; Y292-K609 VanDerWaalsContact CE2-NZ 3.34Å
610	T	59	Low	60.2	Low	87 Å²	87	90.9 Å²	90.9	53%	0.534	54%	0.535	S	S	.	.			trans	-75.1	-28.2	-174.5	44.8	0	0	0	0	113.9	S289 P608	S289-T610 PolarHBondContact OG-OG1 2.95Å; P608-T610 PolarHBondContact O-N 2.96Å
611	H	60.3	Low	58.5	Low	115 Å²	115	94 Å²	94	53%	0.532	53%	0.533	S	S	.	.	S	Bend	trans	-124.1	143.4	-172.3	-61.3	-66.4	0	0	0	112.4	Y290	Y290-H611 HydrophobicContact CE1-CB 4.36Å; Y290-H611 VanDerWaalsContact CE1-O 3.29Å; Y290-H611 WeakPolarHBondContact CE1-O 3.4Å; Y290-H611 WeakPolarHBondContact OH-CB 3.27Å
612	P	57.6	Low	56.1	Low	85 Å²	85	100.3 Å²	100.3	55%	0.552	56%	0.558	S	S	*	*			trans	-80.5	140.8	172.3	31.1	-31.4	0	0	0	111.3	A614 G615	P612-A614 PolarHBondContact O-N 3.01Å; P612-G615 WeakPolarHBondContact O-CA 3.48Å; P612-G615 PolarHBondContact O-N 3.43Å
613	L	54.5	Low	54.9	Low	99 Å²	99	96.9 Å²	96.9	52%	0.518	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	2.4	-178.4	-71.3	160.7	0	0	0	116.1	W155 Y290	W155-L613 HydrophobicContact CH2-CD2 3.47Å; W155-L613 VanDerWaalsContact CH2-CD2 3.47Å; W155-L613 HydrophobicContact CZ2-CD2 4.02Å; W155-L613 HydrophobicContact CZ3-CD2 4.2Å; Y290-L613 HydrophobicContact CD1-CD2 3.32Å; Y290-L613 HydrophobicContact CD1-CG 3.88Å; Y290-L613 HydrophobicContact CE1-CD2 3.63Å; Y290-L613 HydrophobicContact CE1-CG 3.91Å; Y290-L613 HydrophobicContact CG-CD2 4.04Å
614	A	49.8	Very low	53.5	Low	75 Å²	75	98.8 Å²	98.8	62%	0.62	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	30.6	178.6	0	0	0	0	0	111.6	P612 D616 T617	P612-A614 PolarHBondContact O-N 3.01Å; A614-D616 VanDerWaalsContact C-N 3.31Å; A614-D616 PolarHBondContact O-N 3.42Å; A614-T617 PolarHBondContact O-OG1 3.41Å
615	G	41.3	Very low	51.9	Low	41 Å²	41	102 Å²	102	42%	0.423	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	11.3	-155.4	0	0	0	0	0	119.7	P612	P612-G615 WeakPolarHBondContact O-CA 3.48Å; P612-G615 PolarHBondContact O-N 3.43Å
616	D	45.7	Very low	50.4	Low	68 Å²	68	101.5 Å²	101.5	36%	0.364	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	2.6	178.1	-125.3	-43.3	0	0	0	114.3	K177 A614 S619	K177-D616 PolarHBondContact NZ-O 3.45Å; K177-D616 IonicContact NZ-OD1 2.61Å; K177-D616 PolarHBondContact NZ-OD1 3.4Å; A614-D616 VanDerWaalsContact C-N 3.31Å; A614-D616 PolarHBondContact O-N 3.42Å; D616-S619 PolarHBondContact O-OG 2.77Å; D616-S619 PolarHBondContact OD1-OG 3.21Å
617	T	38.4	Very low	49	Very low	109 Å²	109	104.8 Å²	104.8	67%	0.669	58%	0.579	S	S	*	*	S	Bend	trans	-86.1	-14.8	175.9	44.4	0	0	0	0	113.8	A614	A614-T617 PolarHBondContact O-OG1 3.41Å
618	V	36.3	Very low	47.6	Very low	98 Å²	98	108.5 Å²	108.5	59%	0.594	60%	0.597	S	S	*	*	S	Bend	trans	-98	-16.4	-179.8	-171.5	0	0	0	0	111.9	H620 L621	V618-H620 PolarHBondContact O-N 3.34Å; V618-H620 VanDerWaalsContact O-N 3.09Å; V618-L621 PolarHBondContact O-N 3.23Å
619	S	37.4	Very low	46.1	Very low	67 Å²	67	108.4 Å²	108.4	47%	0.469	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	3.8	176.6	60.9	0	0	0	0	114.3	K177 D616	K177-S619 PolarHBondContact NZ-OG 3.17Å; K177-S619 VanDerWaalsContact NZ-OG 3.13Å; D616-S619 PolarHBondContact O-OG 2.77Å; D616-S619 PolarHBondContact OD1-OG 3.21Å
620	H	36.7	Very low	44.5	Very low	131 Å²	131	108.5 Å²	108.5	61%	0.606	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	7.7	178.5	-77.9	-95.8	0	0	0	114.4	K177 V618	K177-H620 WeakPolarHBondContact CE-NE2 3.35Å; K177-H620 PolarHBondContact NZ-NE2 3.02Å; V618-H620 PolarHBondContact O-N 3.34Å; V618-H620 VanDerWaalsContact O-N 3.09Å
621	L	31.7	Very low	43.3	Very low	142 Å²	142	110.3 Å²	110.3	74%	0.743	60%	0.604	S	S	*	*			trans	-121	22.9	-173.8	-72.4	170.3	0	0	0	114.3	V618	V618-L621 PolarHBondContact O-N 3.23Å
622	Y	29.6	Very low	41.7	Very low	294 Å²	294	109.9 Å²	109.9	100%	1.153	61%	0.61	S	S	*	*			trans	-141.1	0	174	-89	-75.9	0	0	0	111.4

Retrieved 622 of 622 residues in 867 ms (Link to these results)

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