A0A096MXM0_PAPAN Loading...

Cyclic nucleotide-gated channel alpha-2

Pore-forming subunit of the olfactory cyclic nucleotide-gated channel. Operates in the cilia of olfactory sensory neurons where chemical stimulation of the odorant is converted to an electrical signal. Mediates odorant-induced cAMP-dependent Ca(2+) influx triggering neuron depolarization. The rise of intracellular Ca(2+) levels potentiates the olfactory response by activating Ca(2+)-dependent Cl(-) channels, but it also serves as a negative feedback signal to desensitize the channel for rapid adaptation to odorants. Conducts cAMP- and cGMP-gated ion currents, with permeability for monovalent and divalent cations.

AlphaFold DB , UniProt , Accession A0A096MXM0, Species PAPAN (Papio anubis, Olive baboon), Gene CNGA2, Length 664 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	33.3	Very low	253 Å²	253	151.9 Å²	151.9	100%	1.246	86%	0.864	S	S	*	*				0	100.4	0	-86.5	168.7	156.8	0	0	107.4
2	T	35.5	Very low	33	Very low	147 Å²	147	146.6 Å²	146.6	90%	0.902	85%	0.852	S	S	*	*			trans	-110.1	123.4	179.8	39.7	0	0	0	0	107.2
3	E	36.8	Very low	32.8	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	85%	0.849	S	S	*	*			trans	-127.3	136	168.7	-146	170.6	-166.5	0	0	110.4
4	K	38.3	Very low	32.6	Very low	199 Å²	199	146.6 Å²	146.6	87%	0.865	85%	0.85	S	S	*	*			trans	-89.4	164.2	-169.2	-73.7	170.6	168.3	174.1	0	111.2
5	A	34.8	Very low	32.5	Very low	87 Å²	87	146 Å²	146	72%	0.719	84%	0.842	S	S	*	*			trans	136.6	145.7	132.7	0	0	0	0	0	110.4
6	N	33.3	Very low	32.5	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	84%	0.838	S	S	*	*			cis	-168.7	146.1	-16	-110.7	-15	0	0	0	104.4
7	G	28.5	Very low	32.5	Very low	78 Å²	78	147.7 Å²	147.7	80%	0.804	84%	0.837	S	S	*	*			trans	-160.3	106	171.8	0	0	0	0	0	110.5
8	V	31.8	Very low	32.5	Very low	140 Å²	140	149.4 Å²	149.4	85%	0.848	84%	0.836	S	S	*	*			trans	-81.8	149.4	-162.9	165.6	0	0	0	0	113.3
9	K	31.4	Very low	32.4	Very low	200 Å²	200	151 Å²	151	87%	0.87	84%	0.836	S	S	*	*			trans	-71.3	151.9	175.3	-70.8	173.1	170.4	177.3	0	114.8
10	S	27.3	Very low	32.5	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	83%	0.832	S	S	*	*			trans	-177.1	139.2	142.3	179.9	0	0	0	0	106.9
11	S	28.2	Very low	32.6	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	83%	0.83	S	S	*	*			cis	-171.8	161.5	-3.4	40.1	0	0	0	0	109.1
12	A	29.7	Very low	32.7	Very low	88 Å²	88	140.3 Å²	140.3	73%	0.727	81%	0.807	S	S	*	*			trans	58.6	109.3	152.1	0	0	0	0	0	120.3
13	V	30.9	Very low	32.4	Very low	133 Å²	133	138.1 Å²	138.1	81%	0.806	80%	0.804	S	S	*	*				69.6	107.8	87.1	177.6	0	0	0	0	114.3
14	N	29.3	Very low	32	Very low	161 Å²	161	136.6 Å²	136.6	86%	0.861	80%	0.8	S	S	*	*				-167.7	141.7	118.7	-115.3	-8.3	0	0	0	113.7
15	N	31.3	Very low	31.6	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	80%	0.802	S	S	*	*			trans	-100.2	139.1	-178.5	-152.4	9.3	0	0	0	107.6
16	H	32.2	Very low	31.3	Very low	169 Å²	169	137.4 Å²	137.4	78%	0.782	81%	0.805	S	S	*	*			trans	-178.8	119.2	142.4	-92.9	-10.3	0	0	0	113.3
17	N	32.9	Very low	30.9	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	81%	0.81	S	S	*	*			trans	-66.6	141.5	156	-82.1	-24	0	0	0	110.1
18	H	32.8	Very low	30.8	Very low	179 Å²	179	138.3 Å²	138.3	83%	0.829	81%	0.81	S	S	*	*			trans	-136.6	129.2	156.8	-92.6	-63.4	0	0	0	113.2
19	H	30.3	Very low	30.6	Very low	179 Å²	179	140.3 Å²	140.3	83%	0.829	81%	0.807	S	S	*	*			trans	-59.2	148.5	171.7	-81.5	-88.8	0	0	0	114.1
20	A	34.5	Very low	30.4	Very low	92 Å²	92	137.1 Å²	137.1	76%	0.76	80%	0.8	S	S	*	*			trans	-67.8	148.9	155.1	0	0	0	0	0	111.2
21	P	34.9	Very low	30.4	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	81%	0.808	S	S	*	*				-156.3	-162.5	114.6	37.9	-16.2	0	0	0	113
22	P	41.5	Very low	30.4	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	81%	0.814	S	S	*	*				-129.8	-179.8	-67.5	39.3	-22.8	0	0	0	113.9
23	A	29.4	Very low	30.2	Very low	102 Å²	102	151.5 Å²	151.5	84%	0.843	82%	0.823	S	S	*	*			trans	-71.4	150	173.9	0	0	0	0	0	114.4
24	I	29.8	Very low	30	Very low	167 Å²	167	151.2 Å²	151.2	86%	0.856	82%	0.822	S	S	*	*			trans	-118.9	128.9	171.8	-64.8	175.8	0	0	0	109.7
25	K	29.2	Very low	29.8	Very low	209 Å²	209	148.1 Å²	148.1	91%	0.909	81%	0.813	S	S	*	*			trans	-110.4	136.5	163.1	-87.3	-176.5	174.9	179.2	0	108.9
26	A	27.2	Very low	29.4	Very low	93 Å²	93	152 Å²	152	77%	0.769	82%	0.817	S	S	*	*			trans	-180	108.2	144.6	0	0	0	0	0	106.8
27	N	26.5	Very low	29.1	Very low	175 Å²	175	154.3 Å²	154.3	94%	0.936	82%	0.819	S	S	*	*				64.8	115.9	76.8	-142.2	29.6	0	0	0	114.2
28	G	25.8	Very low	29.2	Very low	78 Å²	78	152.6 Å²	152.6	80%	0.804	82%	0.816	S	S	*	*			trans	176.2	113.5	174.4	0	0	0	0	0	112.2
29	K	27.6	Very low	28.9	Very low	183 Å²	183	153.4 Å²	153.4	80%	0.796	82%	0.82	S	S	*	*			trans	-74.3	153	-170.1	-88.9	172.6	163.3	176.5	0	115.7
30	D	27.7	Very low	28.7	Very low	133 Å²	133	150.6 Å²	150.6	71%	0.711	82%	0.82	S	S	*	*			trans	43	122.2	136.1	-50.9	-30.4	0	0	0	120.8
31	D	27.3	Very low	28.3	Very low	175 Å²	175	150.3 Å²	150.3	94%	0.936	82%	0.818	S	S	*	*				-153.2	132.9	129	-105.1	-25.2	0	0	0	112.6
32	H	28.3	Very low	28	Very low	183 Å²	183	150.8 Å²	150.8	85%	0.847	82%	0.819	S	S	*	*			trans	-75.5	139.4	179.1	-89.7	-76.2	0	0	0	112.6
33	R	25.8	Very low	27.4	Very low	243 Å²	243	151.6 Å²	151.6	92%	0.917	82%	0.817	S	S	*	*				-171.5	144.8	121	-115.4	174.1	173.1	177.5	-1.9	115.2
34	T	26.1	Very low	27.3	Very low	128 Å²	128	154.2 Å²	154.2	79%	0.785	82%	0.817	S	S	*	*			trans	-67.3	151.6	-177	40.4	0	0	0	0	116.4
35	S	24.4	Very low	27.4	Very low	95 Å²	95	152 Å²	152	66%	0.664	81%	0.807	S	S	*	*				141.1	115.9	114.6	174.6	0	0	0	0	117.4
36	R	23.7	Very low	27.5	Very low	218 Å²	218	148.5 Å²	148.5	82%	0.823	80%	0.803	S	S	*	*			trans	63.4	142.9	138.7	-62.8	173.7	179	-177.4	-1.2	118.6
37	R	26.5	Very low	27.9	Very low	218 Å²	218	148.6 Å²	148.6	82%	0.823	80%	0.798	S	S	*	*			cis	178.4	-178.3	2.5	-110.6	-176	-179.6	-179.9	-1.2	104.8
38	P	34.9	Very low	28.2	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	78%	0.775	S	S	*	*			cis	-129.2	169.9	-36.4	36.5	-19.1	0	0	0	113.6
39	H	25.2	Very low	28.5	Very low	196 Å²	196	147.4 Å²	147.4	91%	0.907	77%	0.773	S	S	*	*			trans	-75.5	147.2	162.6	-77.6	-87.3	0	0	0	111.8
40	S	26.8	Very low	28.7	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	77%	0.773	S	S	*	*			trans	-125.3	122	153.2	61.4	0	0	0	0	109
41	A	26.3	Very low	28.9	Very low	87 Å²	87	147.2 Å²	147.2	72%	0.719	78%	0.775	S	S	*	*			trans	-87.8	158.4	179.7	0	0	0	0	0	112.1
42	T	29	Very low	29	Very low	130 Å²	130	149.8 Å²	149.8	80%	0.798	77%	0.771	S	S	*	*			trans	165.6	129.5	148.2	31.4	0	0	0	0	106.6
43	D	27.4	Very low	29.3	Very low	134 Å²	134	148.9 Å²	148.9	72%	0.717	77%	0.772	S	S	*	*			cis	-159.4	126.9	-21	-93.1	-29	0	0	0	103.8
44	D	28.4	Very low	29.6	Very low	157 Å²	157	141 Å²	141	84%	0.84	76%	0.758	S	S	*	*			trans	-127.5	93.6	169.8	-113.1	-12.3	0	0	0	105.1
45	D	31	Very low	29.9	Very low	121 Å²	121	142.2 Å²	142.2	65%	0.647	76%	0.76	S	S	*	*			trans	-131.4	84.3	178.2	-106.7	-25.4	0	0	0	109.7	S48	D45-S48 PolarHBondContact OD1-OG 3.31Å
46	T	32.6	Very low	30.3	Very low	136 Å²	136	144.2 Å²	144.2	83%	0.834	77%	0.768	S	S	*	*	S	Bend	trans	-141.2	0.1	160.7	29.8	0	0	0	0	113.4
47	S	34.5	Very low	30.6	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	77%	0.77	S	S	*	*	S	Bend	trans	-101.7	-10.4	-177.2	57.4	0	0	0	0	114.2
48	S	32.8	Very low	30.7	Very low	63 Å²	63	135.5 Å²	135.5	44%	0.441	77%	0.767	S	S	.	*	S	Bend	trans	-92.6	-13.5	-169.3	41.5	0	0	0	0	114.9	D45	D45-S48 PolarHBondContact OD1-OG 3.31Å
49	E	33.2	Very low	31.2	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	77%	0.768	S	S	*	*	S	Bend	trans	-86.2	-23.9	177.5	-81.2	-94.5	128.4	0	0	113.5
50	L	31.1	Very low	31.5	Very low	151 Å²	151	136 Å²	136	79%	0.791	77%	0.77	S	S	*	*	S	Bend	trans	-80.6	-20.1	-177.8	-99.5	156.6	0	0	0	113.9
51	Q	30.8	Very low	31.8	Very low	161 Å²	161	142.4 Å²	142.4	75%	0.752	78%	0.776	S	S	*	*	S	Bend	trans	-86.4	-13.5	-178.4	-151.4	96.4	4.8	0	0	113
52	R	31.1	Very low	32.3	Very low	228 Å²	228	141.7 Å²	141.7	86%	0.86	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	0.8	-175.1	-98	-175.9	172.3	170.7	-0.3	115.8
53	L	33	Very low	32.8	Very low	165 Å²	165	146.3 Å²	146.3	86%	0.864	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	8.5	176.5	-83.2	162.9	0	0	0	113.9
54	A	32.6	Very low	33.3	Very low	77 Å²	77	142.5 Å²	142.5	64%	0.636	77%	0.772	S	S	*	*	S	Bend	trans	-103	-6.3	-171.5	0	0	0	0	0	116.3
55	D	32.1	Very low	34.2	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	76%	0.758	S	S	*	*			trans	-129.2	87.3	-177.3	-77.9	-30.9	0	0	0	112.5
56	V	33	Very low	34.6	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	76%	0.76	S	S	*	*	S	Bend	trans	-153.1	109.8	146.3	-176.2	0	0	0	0	109.8
57	D	30.9	Very low	35.2	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	75%	0.754	S	S	*	*			trans	43.2	131.2	152.8	-64.8	-28.7	0	0	0	124
58	A	28.3	Very low	36	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	76%	0.757	S	S	*	*			trans	-103.5	178.8	162.3	0	0	0	0	0	110
59	P	45.5	Very low	36.8	Very low	119 Å²	119	147.5 Å²	147.5	77%	0.773	76%	0.761	S	S	*	*			cis	-136.7	161.5	-1.1	38.6	-20.4	0	0	0	115.6
60	Q	30.9	Very low	37.9	Very low	203 Å²	203	143.5 Å²	143.5	95%	0.949	75%	0.748	S	S	*	*			trans	-162.6	143.8	142.9	-111.1	176.1	15.1	0	0	113.2
61	R	32.8	Very low	38.8	Very low	254 Å²	254	143.8 Å²	143.8	96%	0.958	74%	0.739	S	S	*	*			trans	-65.4	144.6	-167	-86.2	169.5	160.8	161.9	-6.5	114.9
62	G	36.8	Very low	39.5	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	73%	0.729	S	S	*	*	S	Bend	trans	97	70	144.7	0	0	0	0	0	118.3
63	R	39.6	Very low	40.6	Very low	226 Å²	226	134.3 Å²	134.3	85%	0.853	71%	0.713	S	S	*	*			trans	173.2	67.3	151	-102.5	169.6	170.4	174.5	-2.4	110.3
64	G	38.2	Very low	41.3	Very low	54 Å²	54	127.9 Å²	127.9	56%	0.557	69%	0.686	S	S	*	*	H	α-helix	trans	-85.2	-35.8	-173.7	0	0	0	0	0	115.6
65	G	48.2	Very low	42.9	Very low	53 Å²	53	128.9 Å²	128.9	55%	0.546	68%	0.68	S	S	.	*	H	α-helix	trans	-72.6	-47.2	-174.3	0	0	0	0	0	113.4	R67 R68 V69	G65-R67 VanDerWaalsContact C-N 3.34Å; G65-R67 PolarHBondContact O-N 3.04Å; G65-R68 PolarHBondContact O-N 3.07Å; G65-V69 WeakPolarHBondContact O-CG2 3.35Å; G65-V69 PolarHBondContact O-N 3.37Å; G65-V69 VanDerWaalsContact O-N 3.12Å
66	F	39.4	Very low	43.7	Very low	158 Å²	158	126 Å²	126	69%	0.693	66%	0.664	S	S	*	*	H	α-helix	trans	-65.5	-36	-174.8	-155.7	-99.8	0	0	0	112.6	R68 V69 V70	F66-R68 VanDerWaalsContact C-N 3.34Å; F66-R68 PolarHBondContact O-N 3.31Å; F66-V69 PolarHBondContact O-N 2.94Å; F66-V70 HydrophobicContact CD1-CG2 3.88Å; F66-V70 HydrophobicContact CE1-CG2 3.82Å; F66-V70 WeakPolarHBondContact O-CB 3.45Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.34Å
67	R	45.5	Very low	44.6	Very low	184 Å²	184	128.1 Å²	128.1	69%	0.694	66%	0.657	S	S	*	*	H	α-helix	trans	-73.2	-25.2	179.5	-158.3	174.2	175.5	-169.5	-2.3	112.8	G65 R71	G65-R67 VanDerWaalsContact C-N 3.34Å; G65-R67 PolarHBondContact O-N 3.04Å; R67-R71 VanDerWaalsContact O-CB 3.32Å; R67-R71 WeakPolarHBondContact O-CB 3.45Å; R67-R71 PolarHBondContact O-N 3.15Å; R67-R71 VanDerWaalsContact O-N 3.17Å
68	R	50.9	Low	45.6	Very low	195 Å²	195	127.2 Å²	127.2	74%	0.736	65%	0.647	S	S	*	*	H	α-helix	trans	-76.3	-40.6	172	-73.6	-178	-176.1	172.1	1.1	111.6	G65 F66 R71 L72	G65-R68 PolarHBondContact O-N 3.07Å; F66-R68 VanDerWaalsContact C-N 3.34Å; F66-R68 PolarHBondContact O-N 3.31Å; R68-R71 PolarHBondContact O-N 3.39Å; R68-L72 WeakPolarHBondContact O-CB 3.41Å; R68-L72 PolarHBondContact O-N 3.35Å
69	V	48.5	Very low	47.2	Very low	87 Å²	87	128 Å²	128	53%	0.527	63%	0.631	S	S	.	*	H	α-helix	trans	-65	-44.1	174.7	176.3	0	0	0	0	110.9	G65 F66 R71 L72 V73	G65-V69 WeakPolarHBondContact O-CG2 3.35Å; G65-V69 PolarHBondContact O-N 3.37Å; G65-V69 VanDerWaalsContact O-N 3.12Å; F66-V69 PolarHBondContact O-N 2.94Å; V69-R71 VanDerWaalsContact C-N 3.28Å; V69-R71 PolarHBondContact O-N 2.99Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 PolarHBondContact O-N 2.88Å; V69-V73 HydrophobicContact CG1-CG2 4.37Å; V69-V73 WeakPolarHBondContact O-CB 3.37Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 3.42Å
70	V	56.1	Low	47.1	Very low	81 Å²	81	123.1 Å²	123.1	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-34	175.9	172.4	0	0	0	0	111.7	F66 G74	F66-V70 HydrophobicContact CD1-CG2 3.88Å; F66-V70 HydrophobicContact CE1-CG2 3.82Å; F66-V70 WeakPolarHBondContact O-CB 3.45Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.34Å; V70-G74 PolarHBondContact O-N 2.81Å
71	R	50.7	Low	48	Very low	157 Å²	157	118.6 Å²	118.6	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-70.7	-39.4	174.2	-157.9	-174.7	-58.9	-170.6	-1.3	111.7	R67 R68 V69 G74 I75	R67-R71 VanDerWaalsContact O-CB 3.32Å; R67-R71 WeakPolarHBondContact O-CB 3.45Å; R67-R71 PolarHBondContact O-N 3.15Å; R67-R71 VanDerWaalsContact O-N 3.17Å; R68-R71 PolarHBondContact O-N 3.39Å; V69-R71 VanDerWaalsContact C-N 3.28Å; V69-R71 PolarHBondContact O-N 2.99Å; R71-G74 PolarHBondContact O-N 3.41Å; R71-I75 HydrophobicContact CG-CD1 4.34Å; R71-I75 WeakPolarHBondContact O-CD1 3.36Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.33Å
72	L	46.4	Very low	48.6	Very low	106 Å²	106	114.8 Å²	114.8	56%	0.555	57%	0.573	S	S	*	*	H	α-helix	trans	-63.6	-43.6	173.7	-163.5	83.6	0	0	0	111.1	R68 V69 G74 I75 I76	R68-L72 WeakPolarHBondContact O-CB 3.41Å; R68-L72 PolarHBondContact O-N 3.35Å; V69-L72 WeakPolarHBondContact O-CB 3.49Å; V69-L72 PolarHBondContact O-N 2.88Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 2.91Å; L72-I75 PolarHBondContact O-N 3.47Å; L72-I76 HydrophobicContact CD2-CD1 4.32Å; L72-I76 HydrophobicContact CG-CD1 4.11Å; L72-I76 WeakPolarHBondContact O-CB 3.43Å; L72-I76 WeakPolarHBondContact O-CD1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 2.96Å
73	V	53.6	Low	49.1	Very low	85 Å²	85	115.4 Å²	115.4	52%	0.515	56%	0.559	S	S	.	*	H	α-helix	trans	-65.6	-35.9	174.7	172.8	0	0	0	0	111.2	V69 I76 R77	V69-V73 HydrophobicContact CG1-CG2 4.37Å; V69-V73 WeakPolarHBondContact O-CB 3.37Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 3.42Å; V73-I76 PolarHBondContact O-N 2.91Å; V73-R77 WeakPolarHBondContact O-CB 3.4Å; V73-R77 PolarHBondContact O-N 2.99Å
74	G	48.3	Very low	49.2	Very low	30 Å²	30	110.6 Å²	110.6	31%	0.309	54%	0.544	S	S	.	.	H	α-helix	trans	-63.8	-43.9	172.5	0	0	0	0	0	112.7	V70 R71 L72 R77 E78	V70-G74 PolarHBondContact O-N 2.81Å; R71-G74 PolarHBondContact O-N 3.41Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 2.91Å; G74-R77 PolarHBondContact O-N 3.15Å; G74-E78 PolarHBondContact O-N 2.81Å
75	I	65.8	Low	49	Very low	98 Å²	98	118 Å²	118	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-40.9	176.1	-67.5	162.2	0	0	0	110.8	R71 L72 R77 E78 W79	R71-I75 HydrophobicContact CG-CD1 4.34Å; R71-I75 WeakPolarHBondContact O-CD1 3.36Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.33Å; L72-I75 PolarHBondContact O-N 3.47Å; I75-R77 VanDerWaalsContact C-N 3.32Å; I75-R77 PolarHBondContact O-N 2.69Å; I75-E78 PolarHBondContact O-N 3.39Å; I75-W79 WeakPolarHBondContact O-CB 3.49Å; I75-W79 PolarHBondContact O-N 3.36Å
76	I	48.9	Very low	48.4	Very low	94 Å²	94	123.9 Å²	123.9	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-65.2	-37.3	174.6	-69.1	164.5	0	0	0	110.5	L72 V73 A80	L72-I76 HydrophobicContact CD2-CD1 4.32Å; L72-I76 HydrophobicContact CG-CD1 4.11Å; L72-I76 WeakPolarHBondContact O-CB 3.43Å; L72-I76 WeakPolarHBondContact O-CD1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 2.96Å; V73-I76 PolarHBondContact O-N 2.91Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.12Å
77	R	50.6	Low	48.2	Very low	179 Å²	179	125.4 Å²	125.4	68%	0.675	58%	0.578	S	S	*	*	H	α-helix	trans	-69.8	-40.7	176.5	178.1	177.8	168.8	168.4	-3.2	112.4	V73 G74 I75 N81	V73-R77 WeakPolarHBondContact O-CB 3.4Å; V73-R77 PolarHBondContact O-N 2.99Å; G74-R77 PolarHBondContact O-N 3.15Å; I75-R77 VanDerWaalsContact C-N 3.32Å; I75-R77 PolarHBondContact O-N 2.69Å; R77-N81 WeakPolarHBondContact O-CB 3.47Å; R77-N81 PolarHBondContact O-N 3.4Å
78	E	53	Low	47.6	Very low	144 Å²	144	125 Å²	125	67%	0.673	58%	0.584	S	S	*	*	H	α-helix	trans	-70.1	-40.2	174.5	-80.8	-177.5	161.6	0	0	111.8	G74 I75 N81 K82	G74-E78 PolarHBondContact O-N 2.81Å; I75-E78 PolarHBondContact O-N 3.39Å; E78-N81 PolarHBondContact O-N 2.93Å; E78-K82 WeakPolarHBondContact O-CB 3.44Å; E78-K82 PolarHBondContact O-N 3.42Å
79	W	61.8	Low	46.8	Very low	109 Å²	109	121.4 Å²	121.4	41%	0.413	59%	0.586	S	S	.	*	H	α-helix	trans	-62.2	-44.9	172.7	-179.8	85.3	0	0	0	111.6	I75 K82 N83 W139 C142	I75-W79 WeakPolarHBondContact O-CB 3.49Å; I75-W79 PolarHBondContact O-N 3.36Å; W79-K82 PolarHBondContact O-N 2.95Å; W79-N83 WeakPolarHBondContact CZ2-ND2 3.39Å; W79-N83 PolarHBondContact O-N 3.36Å; W79-W139 HydrophobicContact CZ3-CE3 4.47Å; W79-W139 HydrophobicContact CZ3-CZ3 4.11Å; W79-C142 HydrophobicContact CH2-CB 4.07Å
80	A	42.3	Very low	46.1	Very low	15 Å²	15	128.3 Å²	128.3	12%	0.124	60%	0.603	C	S	.	*	H	α-helix	trans	-60.7	-50.2	174.1	0	0	0	0	0	111.3	I76 K82 N83 F84	I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.12Å; A80-K82 PolarHBondContact O-N 3.04Å; A80-N83 PolarHBondContact O-N 2.88Å; A80-N83 VanDerWaalsContact O-N 3.17Å; A80-F84 VanDerWaalsContact C-CD2 3.45Å; A80-F84 HydrophobicContact CB-CD2 4.09Å; A80-F84 HydrophobicContact CB-CE2 3.82Å; A80-F84 WeakPolarHBondContact O-CB 3.36Å; A80-F84 WeakPolarHBondContact O-CD2 3.44Å; A80-F84 WeakPolarHBondContact O-CG 3.35Å; A80-F84 PolarHBondContact O-N 3.16Å
81	N	50.1	Low	45.3	Very low	108 Å²	108	128 Å²	128	58%	0.578	60%	0.602	S	S	*	*	H	α-helix	trans	-62.2	-28.8	177.8	-95	1.9	0	0	0	113.3	R77 E78	R77-N81 WeakPolarHBondContact O-CB 3.47Å; R77-N81 PolarHBondContact O-N 3.4Å; E78-N81 PolarHBondContact O-N 2.93Å
82	K	47.1	Very low	44.7	Very low	174 Å²	174	125.8 Å²	125.8	76%	0.757	60%	0.602	S	S	*	*	H	α-helix	trans	-76.4	-32.7	177.3	-159.8	175.2	-177.6	-178	0	112.3	E78 W79 A80	E78-K82 WeakPolarHBondContact O-CB 3.44Å; E78-K82 PolarHBondContact O-N 3.42Å; W79-K82 PolarHBondContact O-N 2.95Å; A80-K82 PolarHBondContact O-N 3.04Å
83	N	45.8	Very low	44.9	Very low	87 Å²	87	124.6 Å²	124.6	47%	0.465	60%	0.603	S	S	.	*	H	α-helix	trans	-86.5	-14.1	176.5	-81.8	9.4	0	0	0	114.3	W79 A80	W79-N83 WeakPolarHBondContact CZ2-ND2 3.39Å; W79-N83 PolarHBondContact O-N 3.36Å; A80-N83 PolarHBondContact O-N 2.88Å; A80-N83 VanDerWaalsContact O-N 3.17Å
84	F	42.9	Very low	44.5	Very low	124 Å²	124	125 Å²	125	54%	0.544	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	3.5	177	-76.1	-56	0	0	0	114.5	A80 E86 W139	A80-F84 VanDerWaalsContact C-CD2 3.45Å; A80-F84 HydrophobicContact CB-CD2 4.09Å; A80-F84 HydrophobicContact CB-CE2 3.82Å; A80-F84 WeakPolarHBondContact O-CB 3.36Å; A80-F84 WeakPolarHBondContact O-CD2 3.44Å; A80-F84 WeakPolarHBondContact O-CG 3.35Å; A80-F84 PolarHBondContact O-N 3.16Å; F84-E86 PolarHBondContact O-N 2.93Å; F84-W139 HydrophobicContact CE2-CZ3 4.29Å; F84-W139 HydrophobicContact CZ-CE3 4.11Å; F84-W139 HydrophobicContact CZ-CH2 4.03Å; F84-W139 HydrophobicContact CZ-CZ2 4.45Å; F84-W139 AromaticContact CZ-CZ3 3.85Å; F84-W139 HydrophobicContact CZ-CZ3 3.85Å
85	R	33.3	Very low	44.3	Very low	210 Å²	210	128 Å²	128	79%	0.792	61%	0.606	S	S	*	*	S	Bend	trans	-79.6	112.5	161.3	-64.8	-176.1	93.8	177.9	4.7	106.1	E87	R85-E87 PolarHBondContact O-N 3.39Å; R85-E87 VanDerWaalsContact O-N 3.1Å
86	E	35	Very low	43.7	Very low	177 Å²	177	128.6 Å²	128.6	83%	0.827	61%	0.607	S	S	*	*			trans	-44.7	120.9	164.6	-71.2	176.7	145.7	0	0	107.6	F84 E88	F84-E86 PolarHBondContact O-N 2.93Å; E86-E88 VanDerWaalsContact C-N 3.32Å; E86-E88 PolarHBondContact O-N 3.21Å
87	E	34.8	Very low	43.9	Very low	190 Å²	190	129.5 Å²	129.5	89%	0.888	60%	0.604	S	S	*	*			trans	-58.8	106.7	161	-76.8	-173.9	153.2	0	0	105.2	R85	R85-E87 PolarHBondContact O-N 3.39Å; R85-E87 VanDerWaalsContact O-N 3.1Å
88	E	34.2	Very low	43.9	Very low	174 Å²	174	124.5 Å²	124.5	81%	0.813	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-47.6	132.9	164.6	-77.9	-179.4	159.2	0	0	106.9	E86 R90	E86-E88 VanDerWaalsContact C-N 3.32Å; E86-E88 PolarHBondContact O-N 3.21Å; E88-R90 PolarHBondContact O-N 3Å
89	P	32.9	Very low	43.5	Very low	120 Å²	120	126.6 Å²	126.6	78%	0.779	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-51.6	116.6	-178.9	20.2	-31.1	0	0	0	107.8	P91	P89-P91 WeakPolarHBondContact O-CD 3.32Å
90	R	35.1	Very low	42.5	Very low	233 Å²	233	124.1 Å²	124.1	88%	0.879	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-48.6	118.2	177.7	-122.7	-179.1	-166.4	166.1	6.3	106.4	E88 D92	E88-R90 PolarHBondContact O-N 3Å; R90-D92 PolarHBondContact O-N 3.5Å
91	P	38.3	Very low	42.4	Very low	74 Å²	74	129.7 Å²	129.7	48%	0.481	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-56.5	130.9	175.6	21.5	-29.9	0	0	0	107.1	P89 S93 E96	P89-P91 WeakPolarHBondContact O-CD 3.32Å; P91-S93 PolarHBondContact O-N 3.5Å; P91-E96 HydrophobicContact CB-CG 4.33Å; P91-E96 VanDerWaalsContact CG-OE1 3.32Å; P91-E96 WeakPolarHBondContact CG-OE1 3.5Å
92	D	39.2	Very low	41.7	Very low	111 Å²	111	133 Å²	133	59%	0.594	64%	0.644	S	S	*	*			trans	-49.8	108.3	-176.6	-79.3	-35.3	0	0	0	109.2	R90 F94 L95 E96	R90-D92 PolarHBondContact O-N 3.5Å; D92-F94 PolarHBondContact O-N 2.88Å; D92-L95 HydrophobicContact CB-CB 4.28Å; D92-L95 HydrophobicContact CB-CD1 4.23Å; D92-L95 HydrophobicContact CB-CG 4.26Å; D92-L95 PolarHBondContact O-N 2.89Å; D92-E96 PolarHBondContact O-N 3.3Å; D92-E96 VanDerWaalsContact O-N 3.09Å
93	S	50.8	Low	40.8	Very low	81 Å²	81	132.5 Å²	132.5	57%	0.566	65%	0.649	S	S	*	*	H	α-helix	trans	-55.8	-27	-179.7	177.3	0	0	0	0	111.2	P91 R97	P91-S93 PolarHBondContact O-N 3.5Å; S93-R97 VanDerWaalsContact O-CB 3.28Å; S93-R97 WeakPolarHBondContact O-CB 3.39Å; S93-R97 PolarHBondContact O-N 3.49Å; S93-R97 VanDerWaalsContact O-N 3.11Å
94	F	43.9	Very low	40.1	Very low	94 Å²	94	137.7 Å²	137.7	41%	0.412	67%	0.671	S	S	.	*	H	α-helix	trans	-60.2	-48.9	171.9	-173.4	-97.4	0	0	0	112.1	D92 F98 I442	D92-F94 PolarHBondContact O-N 2.88Å; F94-F98 HydrophobicContact CD2-CE2 4.19Å; F94-F98 HydrophobicContact CE2-CD2 4.49Å; F94-F98 AromaticContact CE2-CE2 3.92Å; F94-F98 HydrophobicContact CE2-CE2 3.92Å; F94-F98 HydrophobicContact CZ-CD2 4.47Å; F94-F98 HydrophobicContact CZ-CE2 4.23Å; F94-F98 WeakPolarHBondContact O-CD2 3.43Å; F94-I442 HydrophobicContact CE2-CD1 3.95Å
95	L	45.7	Very low	39.4	Very low	92 Å²	92	138 Å²	138	48%	0.482	68%	0.682	S	S	.	*	H	α-helix	trans	-76.2	-32	-179.2	-70.4	174.7	0	0	0	112.8	D92 F98 R99	D92-L95 HydrophobicContact CB-CB 4.28Å; D92-L95 HydrophobicContact CB-CD1 4.23Å; D92-L95 HydrophobicContact CB-CG 4.26Å; D92-L95 PolarHBondContact O-N 2.89Å; L95-F98 PolarHBondContact O-N 3.28Å; L95-R99 PolarHBondContact O-N 3.41Å
96	E	52.4	Low	39.1	Very low	111 Å²	111	134.4 Å²	134.4	52%	0.519	68%	0.684	S	S	.	*	H	α-helix	trans	-68.3	-35.9	175.7	-77.9	-168.9	154.7	0	0	112.6	P91 D92 F98	P91-E96 HydrophobicContact CB-CG 4.33Å; P91-E96 VanDerWaalsContact CG-OE1 3.32Å; P91-E96 WeakPolarHBondContact CG-OE1 3.5Å; D92-E96 PolarHBondContact O-N 3.3Å; D92-E96 VanDerWaalsContact O-N 3.09Å; E96-F98 PolarHBondContact O-N 2.89Å
97	R	52	Low	38.6	Very low	112 Å²	112	132.1 Å²	132.1	42%	0.423	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	-12.4	-179.3	-160.6	169.9	-169.8	-177.5	0.8	113.7	S93	S93-R97 VanDerWaalsContact O-CB 3.28Å; S93-R97 WeakPolarHBondContact O-CB 3.39Å; S93-R97 PolarHBondContact O-N 3.49Å; S93-R97 VanDerWaalsContact O-N 3.11Å
98	F	51.2	Low	38.3	Very low	74 Å²	74	129.5 Å²	129.5	33%	0.325	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.4	6.5	-177.9	-64.1	-60.5	0	0	0	114.5	F94 L95 E96 G100 A460 V464	F94-F98 HydrophobicContact CD2-CE2 4.19Å; F94-F98 HydrophobicContact CE2-CD2 4.49Å; F94-F98 AromaticContact CE2-CE2 3.92Å; F94-F98 HydrophobicContact CE2-CE2 3.92Å; F94-F98 HydrophobicContact CZ-CD2 4.47Å; F94-F98 HydrophobicContact CZ-CE2 4.23Å; F94-F98 WeakPolarHBondContact O-CD2 3.43Å; L95-F98 PolarHBondContact O-N 3.28Å; E96-F98 PolarHBondContact O-N 2.89Å; F98-G100 PolarHBondContact O-N 2.89Å; F98-G100 VanDerWaalsContact O-N 3.11Å; F98-A460 HydrophobicContact CD1-CB 3.64Å; F98-A460 HydrophobicContact CE1-CB 3.33Å; F98-A460 HydrophobicContact CZ-CB 4.38Å; F98-V464 HydrophobicContact CZ-CG2 4.28Å
99	R	44.3	Very low	37.9	Very low	189 Å²	189	130.4 Å²	130.4	71%	0.713	68%	0.684	S	S	*	*			trans	-75.1	102	170.4	-83.1	-173.7	-147.2	172.7	8.7	110.5	L95	L95-R99 PolarHBondContact O-N 3.41Å
100	G	42.2	Very low	37.6	Very low	57 Å²	57	133.9 Å²	133.9	59%	0.588	69%	0.689	S	S	*	*			trans	-65.6	163.9	156	0	0	0	0	0	111.4	F98 E102	F98-G100 PolarHBondContact O-N 2.89Å; F98-G100 VanDerWaalsContact O-N 3.11Å; G100-E102 PolarHBondContact O-N 2.88Å; G100-E102 VanDerWaalsContact O-N 3.12Å
101	P	39.2	Very low	37.3	Very low	131 Å²	131	126.5 Å²	126.5	85%	0.851	69%	0.686	S	S	*	*	S	Bend	trans	-83	89.2	-178.3	32.6	-29.3	0	0	0	109.4
102	E	34.6	Very low	36.7	Very low	178 Å²	178	131.5 Å²	131.5	83%	0.832	71%	0.709	S	S	*	*			trans	168.3	107.1	151.3	-97.9	172.3	-166	0	0	109.9	G100	G100-E102 PolarHBondContact O-N 2.88Å; G100-E102 VanDerWaalsContact O-N 3.12Å
103	L	28.9	Very low	36.1	Very low	164 Å²	164	129.9 Å²	129.9	86%	0.859	72%	0.718	S	S	*	*			trans	173	103.3	134.1	-111.2	101	0	0	0	108.3
104	Q	30.6	Very low	35	Very low	196 Å²	196	136 Å²	136	92%	0.916	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-73.2	121.1	160.4	-86.2	176.1	-19.8	0	0	108.1
105	T	28.7	Very low	34.1	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-75.3	125.8	178.7	39.4	0	0	0	0	111.4	T107	T105-T107 PolarHBondContact O-N 3.33Å
106	V	26.4	Very low	33.2	Very low	135 Å²	135	138.6 Å²	138.6	82%	0.818	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-56.6	123	167.4	173.8	0	0	0	0	109.4
107	T	26	Very low	32.3	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.9	124.3	169.5	10.1	0	0	0	0	109.1	T105 Q109	T105-T107 PolarHBondContact O-N 3.33Å; T107-Q109 PolarHBondContact O-N 3.34Å
108	T	27.2	Very low	31.3	Very low	136 Å²	136	144.8 Å²	144.8	83%	0.834	81%	0.807	S	S	*	*			trans	-64.3	112.2	178.5	-33.2	0	0	0	0	110.3
109	Q	26.6	Very low	30.4	Very low	193 Å²	193	145 Å²	145	90%	0.902	83%	0.829	S	S	*	*			trans	-77.5	129	164.7	-79.6	-176.9	-18.7	0	0	109.6	T107	T107-Q109 PolarHBondContact O-N 3.34Å
110	Q	27.5	Very low	29.7	Very low	192 Å²	192	145.1 Å²	145.1	90%	0.897	84%	0.835	S	S	*	*			trans	-146.1	114.5	160.8	-156.1	164.8	19	0	0	111.1
111	G	27.6	Very low	29.4	Very low	78 Å²	78	150.4 Å²	150.4	80%	0.804	85%	0.85	S	S	*	*			trans	100.1	92.5	143.9	0	0	0	0	0	118.2
112	D	25.9	Very low	29	Very low	180 Å²	180	153.5 Å²	153.5	96%	0.963	85%	0.85	S	S	*	*			trans	-62.2	144.7	163.8	-96	-36.6	0	0	0	113.6
113	G	26.8	Very low	28.8	Very low	76 Å²	76	148.2 Å²	148.2	78%	0.784	84%	0.843	S	S	*	*			trans	-160.9	70.5	176.3	0	0	0	0	0	113.1
114	K	27.6	Very low	28.9	Very low	211 Å²	211	147 Å²	147	92%	0.917	84%	0.843	S	S	*	*			trans	2.7	113.3	158.6	-146.3	172.7	-171.4	175.9	0	119.5
115	G	25	Very low	29.1	Very low	75 Å²	75	147 Å²	147	77%	0.773	84%	0.84	S	S	*	*			trans	67.3	111.1	130.6	0	0	0	0	0	120.6
116	D	27.2	Very low	29.4	Very low	164 Å²	164	149.7 Å²	149.7	88%	0.877	84%	0.84	S	S	*	*				-157.7	138.9	115.8	-139.4	-9.3	0	0	0	111.9
117	K	33.3	Very low	29.9	Very low	190 Å²	190	152.2 Å²	152.2	83%	0.826	84%	0.84	S	S	*	*			trans	-88.4	118.6	172.4	-83.4	177.6	174.2	172.7	0	107
118	D	29.7	Very low	30.4	Very low	164 Å²	164	156.1 Å²	156.1	88%	0.877	85%	0.846	S	S	*	*			trans	-159.8	116.7	146.1	-101	-24.6	0	0	0	111.5
119	G	33.3	Very low	31.3	Very low	77 Å²	77	157.8 Å²	157.8	79%	0.794	85%	0.845	S	S	*	*			trans	-72.2	123.4	169.5	0	0	0	0	0	110
120	K	29.1	Very low	32.5	Very low	193 Å²	193	154.5 Å²	154.5	84%	0.839	83%	0.833	S	S	*	*			trans	-152.9	94.6	157.1	-113.7	170.9	-173.1	170.9	0	110.3	K122	K120-K122 PolarHBondContact O-N 3.04Å
121	D	36.8	Very low	34.5	Very low	168 Å²	168	151 Å²	151	90%	0.898	81%	0.814	S	S	*	*			trans	4.3	98.1	139.6	-137.2	-2.6	0	0	0	114.5
122	K	30.2	Very low	37	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	78%	0.784	S	S	*	*			trans	-135.3	110.7	163.9	-80.2	-171.2	178.7	173.3	0	108.5	K120 T124	K120-K122 PolarHBondContact O-N 3.04Å; K122-T124 PolarHBondContact O-N 3.48Å
123	G	30.5	Very low	39.7	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	74%	0.742	S	S	*	*			trans	-43	134.8	-178.3	0	0	0	0	0	113.4	K125	G123-K125 PolarHBondContact O-N 2.95Å
124	T	31.1	Very low	42.5	Very low	140 Å²	140	140.6 Å²	140.6	86%	0.859	72%	0.723	S	S	*	*			trans	-57.5	83.2	172.2	-12.4	0	0	0	0	109.6	K122 K126	K122-T124 PolarHBondContact O-N 3.48Å; T124-K126 PolarHBondContact O-N 2.89Å
125	K	34.3	Very low	45.1	Very low	196 Å²	196	131.6 Å²	131.6	85%	0.852	69%	0.687	S	S	*	*			trans	-67.2	92.2	152.6	-76.7	-173.8	178.7	-179.5	0	105.4	G123 K127	G123-K125 PolarHBondContact O-N 2.95Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.43Å
126	K	35.1	Very low	47.9	Very low	185 Å²	185	130.9 Å²	130.9	80%	0.804	67%	0.674	S	S	*	*			trans	-51	102.1	157.9	-81.9	-175.6	174.6	-177.6	0	105.7	T124 F128	T124-K126 PolarHBondContact O-N 2.89Å; K126-F128 PolarHBondContact O-N 3.01Å; K126-F128 VanDerWaalsContact O-N 3.09Å
127	K	36.7	Very low	50.6	Low	188 Å²	188	124.3 Å²	124.3	82%	0.817	64%	0.644	S	S	*	*			trans	-55.4	117.8	161.6	-76.1	178.2	176.1	176.5	0	103.9	K125 E129	K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.43Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 PolarHBondContact O-N 3.26Å
128	F	36.8	Very low	53.3	Low	210 Å²	210	119.9 Å²	119.9	92%	0.921	63%	0.63	S	S	*	*			trans	-50.6	107.1	159.9	-91.5	-99.2	0	0	0	104.8	K126 L130	K126-F128 PolarHBondContact O-N 3.01Å; K126-F128 VanDerWaalsContact O-N 3.09Å; F128-L130 PolarHBondContact O-N 2.81Å
129	E	46.9	Very low	56.1	Low	172 Å²	172	116.2 Å²	116.2	80%	0.804	60%	0.604	S	S	*	*			trans	-53.3	135.6	174.6	-68.3	-162	157	0	0	107.5	K127 F131	K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 PolarHBondContact O-N 3.26Å; E129-F131 PolarHBondContact O-N 2.88Å
130	L	51.4	Low	58.8	Low	123 Å²	123	113 Å²	113	64%	0.644	57%	0.567	S	S	*	*			trans	-44.3	104.7	-172.7	-92.1	77	0	0	0	110.3	F128 V132 T208	F128-L130 PolarHBondContact O-N 2.81Å; L130-V132 HydrophobicContact CB-CG2 4.35Å; L130-V132 PolarHBondContact O-N 3.42Å; L130-T208 HydrophobicContact CD2-CG2 4.27Å
131	F	69.3	Low	61.7	Low	118 Å²	118	106.5 Å²	106.5	52%	0.518	54%	0.538	S	S	.	.			trans	-68.4	87.1	173	-172.5	-99.8	0	0	0	108	E129 L133 R195	E129-F131 PolarHBondContact O-N 2.88Å; F131-L133 HydrophobicContact CD1-CD1 4.44Å; F131-L133 HydrophobicContact CE1-CD1 3.54Å; F131-L133 HydrophobicContact CE1-CD2 4.49Å; F131-L133 HydrophobicContact CE1-CG 3.89Å; F131-L133 HydrophobicContact CZ-CD1 3.81Å; F131-L133 HydrophobicContact CZ-CD2 4.06Å; F131-L133 HydrophobicContact CZ-CG 3.97Å; F131-R195 HydrophobicContact CD1-CB 4.39Å; F131-R195 HydrophobicContact CD1-CG 4.49Å; F131-R195 WeakPolarHBondContact O-CB 3.06Å
132	V	79.6	Confident	64.4	Low	27 Å²	27	100.5 Å²	100.5	16%	0.164	51%	0.509	C	S	.	.			trans	-114.2	122.5	170.2	177.1	0	0	0	0	106.5	L130 R195 K206 L211	L130-V132 HydrophobicContact CB-CG2 4.35Å; L130-V132 PolarHBondContact O-N 3.42Å; V132-R195 WeakPolarHBondContact CA-O 3.31Å; V132-K206 HydrophobicContact CB-CB 4.44Å; V132-K206 HydrophobicContact CB-CG 4.43Å; V132-K206 HydrophobicContact CG1-CB 4.39Å; V132-K206 HydrophobicContact CG1-CG 4.2Å; V132-K206 HydrophobicContact CG2-CB 4.1Å; V132-K206 WeakPolarHBondContact CG2-O 3.23Å; V132-L211 HydrophobicContact CG1-CD1 4.02Å; V132-L211 HydrophobicContact CG2-CD1 3.9Å
133	L	83.4	Confident	67.4	Low	16 Å²	16	93 Å²	93	8%	0.084	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-89.4	127.1	-177.1	-78.1	161.7	0	0	0	109.7	F131 P135 W139 I192 R195 G197	F131-L133 HydrophobicContact CD1-CD1 4.44Å; F131-L133 HydrophobicContact CE1-CD1 3.54Å; F131-L133 HydrophobicContact CE1-CD2 4.49Å; F131-L133 HydrophobicContact CE1-CG 3.89Å; F131-L133 HydrophobicContact CZ-CD1 3.81Å; F131-L133 HydrophobicContact CZ-CD2 4.06Å; F131-L133 HydrophobicContact CZ-CG 3.97Å; L133-P135 WeakPolarHBondContact O-CD 3.44Å; L133-W139 HydrophobicContact CD2-CG 4.41Å; L133-I192 HydrophobicContact CD1-CB 4.17Å; L133-I192 HydrophobicContact CD1-CG1 4.01Å; L133-I192 HydrophobicContact CD1-CG2 3.56Å; L133-R195 PolarHBondContact N-O 2.73Å; L133-G197 PolarHBondContact O-N 2.88Å
134	D	84.7	Confident	70.4	Confident	73 Å²	73	90 Å²	90	39%	0.39	44%	0.443	S	S	.	.			trans	-73.8	119.3	170.4	-175.2	-5.8	0	0	0	109.3	A136 G137 L204	D134-A136 PolarHBondContact O-N 3.44Å; D134-A136 WeakPolarHBondContact OD1-CB 3.49Å; D134-A136 PolarHBondContact OD1-N 3.26Å; D134-G137 PolarHBondContact O-N 3Å; D134-G137 VanDerWaalsContact O-N 3.09Å; D134-L204 HydrophobicContact CB-CD2 4.14Å
135	P	83.7	Confident	73.3	Confident	23 Å²	23	88.4 Å²	88.4	15%	0.149	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	175.4	28.4	-38.5	0	0	0	113.6	L133 Y140 T196 G197 R262	L133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-Y140 WeakPolarHBondContact O-CD1 3.21Å; P135-T196 HydrophobicContact CB-CG2 3.91Å; P135-T196 HydrophobicContact CG-CG2 4.43Å; P135-G197 WeakPolarHBondContact CD-O 3.43Å; P135-G197 VanDerWaalsContact CG-O 3.3Å; P135-G197 WeakPolarHBondContact CG-O 3.39Å; P135-R262 PolarHBondContact O-NH1 2.89Å; P135-R262 PolarHBondContact O-NH2 2.94Å
136	A	82.3	Confident	76.2	Confident	60 Å²	60	82.2 Å²	82.2	50%	0.496	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.8	176.2	0	0	0	0	0	113.4	D134 R266	D134-A136 PolarHBondContact O-N 3.44Å; D134-A136 WeakPolarHBondContact OD1-CB 3.49Å; D134-A136 PolarHBondContact OD1-N 3.26Å; A136-R266 PolarHBondContact O-NH2 3.15Å; A136-R266 VanDerWaalsContact O-NH2 3.08Å
137	G	85.4	Confident	79.1	Confident	25 Å²	25	73.4 Å²	73.4	26%	0.258	37%	0.365	S	S	.	.	S	Bend	trans	-71.4	153.5	-173.6	0	0	0	0	0	114.5	D134 W139 Y140 Y141	D134-G137 PolarHBondContact O-N 3Å; D134-G137 VanDerWaalsContact O-N 3.09Å; G137-W139 VanDerWaalsContact C-N 3.28Å; G137-W139 PolarHBondContact O-N 2.86Å; G137-Y140 PolarHBondContact O-N 2.94Å; G137-Y141 PolarHBondContact O-N 3.45Å
138	D	88.3	Confident	81.8	Confident	98 Å²	98	64.9 Å²	64.9	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-33.5	179.5	-70.5	-11.4	0	0	0	113	Y140 Y141 C142 R266	D138-Y140 VanDerWaalsContact C-N 3.35Å; D138-Y140 PolarHBondContact O-N 3.2Å; D138-Y141 WeakPolarHBondContact O-CB 3.48Å; D138-Y141 PolarHBondContact O-N 3.35Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 2.83Å; D138-R266 IonicContact OD1-CZ 2.84Å; D138-R266 IonicContact OD1-NH1 3.96Å; D138-R266 PolarHBondContact OD1-NH1 3.38Å; D138-R266 IonicContact OD1-NH2 3.79Å; D138-R266 PolarHBondContact OD1-NH2 3.21Å
139	W	88.8	Confident	84.5	Confident	86 Å²	86	60.3 Å²	60.3	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-44.9	175.7	175.6	-91	0	0	0	112.2	W79 F84 L133 G137 Y141 C142 W143	W79-W139 HydrophobicContact CZ3-CE3 4.47Å; W79-W139 HydrophobicContact CZ3-CZ3 4.11Å; F84-W139 HydrophobicContact CE2-CZ3 4.29Å; F84-W139 HydrophobicContact CZ-CE3 4.11Å; F84-W139 HydrophobicContact CZ-CH2 4.03Å; F84-W139 HydrophobicContact CZ-CZ2 4.45Å; F84-W139 AromaticContact CZ-CZ3 3.85Å; F84-W139 HydrophobicContact CZ-CZ3 3.85Å; L133-W139 HydrophobicContact CD2-CG 4.41Å; G137-W139 VanDerWaalsContact C-N 3.28Å; G137-W139 PolarHBondContact O-N 2.86Å; W139-Y141 VanDerWaalsContact C-N 3.3Å; W139-Y141 PolarHBondContact O-N 3.17Å; W139-C142 PolarHBondContact O-N 3.28Å; W139-W143 WeakPolarHBondContact O-CB 3.46Å; W139-W143 PolarHBondContact O-N 3.3Å
140	Y	90.3	Very high	86.8	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.035	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-38.9	178.6	-177.1	-105.1	0	0	0	111.1	P135 G137 D138 W143 L144 T196 R255 E258	P135-Y140 WeakPolarHBondContact O-CD1 3.21Å; G137-Y140 PolarHBondContact O-N 2.94Å; D138-Y140 VanDerWaalsContact C-N 3.35Å; D138-Y140 PolarHBondContact O-N 3.2Å; Y140-W143 WeakPolarHBondContact O-CB 3.46Å; Y140-W143 PolarHBondContact O-N 3.09Å; Y140-L144 HydrophobicContact CD1-CD1 4.03Å; Y140-L144 HydrophobicContact CD1-CG 4.37Å; Y140-L144 HydrophobicContact CE1-CD1 3.68Å; Y140-L144 HydrophobicContact CE1-CD2 4.36Å; Y140-L144 HydrophobicContact CE1-CG 4.03Å; Y140-L144 WeakPolarHBondContact O-CG 3.42Å; Y140-L144 PolarHBondContact O-N 3.41Å; Y140-T196 HydrophobicContact CE2-CG2 4.21Å; Y140-R255 PolarHBondContact OH-NH1 2.81Å; Y140-E258 WeakPolarHBondContact CE1-OE1 3.32Å; Y140-E258 PolarHBondContact OH-OE1 3.43Å
141	Y	91.2	Very high	88.9	Confident	58 Å²	58	47.1 Å²	47.1	23%	0.227	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-45.3	174.1	174.3	-106.3	0	0	0	112.7	G137 D138 W139 W143 L144 F145 F259 R262	G137-Y141 PolarHBondContact O-N 3.45Å; D138-Y141 WeakPolarHBondContact O-CB 3.48Å; D138-Y141 PolarHBondContact O-N 3.35Å; W139-Y141 VanDerWaalsContact C-N 3.3Å; W139-Y141 PolarHBondContact O-N 3.17Å; Y141-W143 VanDerWaalsContact C-N 3.26Å; Y141-W143 PolarHBondContact O-N 2.96Å; Y141-L144 WeakPolarHBondContact O-CB 3.32Å; Y141-L144 PolarHBondContact O-N 2.99Å; Y141-F145 PolarHBondContact O-N 2.82Å; Y141-F259 HydrophobicContact CE2-CE2 4.29Å; Y141-R262 HydrophobicContact CD2-CB 4.21Å; Y141-R262 HydrophobicContact CE2-CB 4.49Å
142	C	91.9	Very high	90.1	Very high	41 Å²	41	44.4 Å²	44.4	28%	0.277	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-36.9	174.1	-69.2	0	0	0	0	112	W79 D138 W139 F145 V146	W79-C142 HydrophobicContact CH2-CB 4.07Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 2.83Å; W139-C142 PolarHBondContact O-N 3.28Å; C142-F145 WeakPolarHBondContact O-CB 3.49Å; C142-F145 PolarHBondContact O-N 3.48Å; C142-V146 WeakPolarHBondContact O-CG2 3.36Å; C142-V146 PolarHBondContact O-N 2.66Å; C142-V146 VanDerWaalsContact O-N 3.17Å
143	W	94.1	Very high	90.8	Very high	40 Å²	40	44.8 Å²	44.8	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-41.2	174.7	-177.2	-109.1	0	0	0	112.4	W139 Y140 Y141 F145 V146 I147 V185 A188 D189 I192	W139-W143 WeakPolarHBondContact O-CB 3.46Å; W139-W143 PolarHBondContact O-N 3.3Å; Y140-W143 WeakPolarHBondContact O-CB 3.46Å; Y140-W143 PolarHBondContact O-N 3.09Å; Y141-W143 VanDerWaalsContact C-N 3.26Å; Y141-W143 PolarHBondContact O-N 2.96Å; W143-F145 VanDerWaalsContact C-N 3.27Å; W143-F145 PolarHBondContact O-N 2.82Å; W143-V146 HydrophobicContact CE3-CB 4.37Å; W143-V146 HydrophobicContact CE3-CG1 4.38Å; W143-V146 HydrophobicContact CZ3-CG1 4.15Å; W143-V146 WeakPolarHBondContact O-CA 3.3Å; W143-V146 WeakPolarHBondContact O-CB 3.4Å; W143-V146 PolarHBondContact O-N 3.37Å; W143-I147 HydrophobicContact CG-CD1 4.47Å; W143-I147 HydrophobicContact CZ2-CG1 4.5Å; W143-I147 WeakPolarHBondContact O-CG1 3.45Å; W143-I147 PolarHBondContact O-N 2.91Å; W143-V185 HydrophobicContact CH2-CG1 4.39Å; W143-A188 HydrophobicContact CH2-CB 3.86Å; W143-A188 HydrophobicContact CZ2-CB 3.97Å; W143-D189 HydrophobicContact CZ2-CB 4.25Å; W143-D189 PolarHBondContact NE1-OD1 3.49Å; W143-I192 HydrophobicContact CD2-CD1 3.55Å; W143-I192 HydrophobicContact CE3-CD1 4.08Å; W143-I192 HydrophobicContact CG-CD1 4.04Å; W143-I192 HydrophobicContact CH2-CD1 4.04Å; W143-I192 HydrophobicContact CZ2-CD1 3.5Å; W143-I192 HydrophobicContact CZ3-CD1 4.3Å
144	L	93.2	Very high	91.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-39.6	173.5	-73.9	173.5	0	0	0	112.3	Y140 Y141 V146 I147 A148 E258 F259 R262	Y140-L144 HydrophobicContact CD1-CD1 4.03Å; Y140-L144 HydrophobicContact CD1-CG 4.37Å; Y140-L144 HydrophobicContact CE1-CD1 3.68Å; Y140-L144 HydrophobicContact CE1-CD2 4.36Å; Y140-L144 HydrophobicContact CE1-CG 4.03Å; Y140-L144 WeakPolarHBondContact O-CG 3.42Å; Y140-L144 PolarHBondContact O-N 3.41Å; Y141-L144 WeakPolarHBondContact O-CB 3.32Å; Y141-L144 PolarHBondContact O-N 2.99Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 2.92Å; L144-I147 HydrophobicContact CD2-CD1 4.41Å; L144-I147 PolarHBondContact O-N 3.37Å; L144-A148 PolarHBondContact O-N 3.18Å; L144-E258 HydrophobicContact CD1-CG 4.28Å; L144-E258 HydrophobicContact CD2-CG 4.3Å; L144-F259 HydrophobicContact CB-CB 4.27Å; L144-F259 HydrophobicContact CB-CD2 3.99Å; L144-R262 HydrophobicContact CD1-CB 4.38Å; L144-R262 HydrophobicContact CD1-CG 4.01Å
145	F	93.1	Very high	91.8	Very high	107 Å²	107	44.2 Å²	44.2	47%	0.469	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-40.3	173.9	-177.7	-95.9	0	0	0	112.2	Y141 C142 W143 I147 A148 M149 F259	Y141-F145 PolarHBondContact O-N 2.82Å; C142-F145 WeakPolarHBondContact O-CB 3.49Å; C142-F145 PolarHBondContact O-N 3.48Å; W143-F145 VanDerWaalsContact C-N 3.27Å; W143-F145 PolarHBondContact O-N 2.82Å; F145-I147 VanDerWaalsContact C-N 3.28Å; F145-I147 PolarHBondContact O-N 3.42Å; F145-A148 PolarHBondContact O-N 2.93Å; F145-M149 HydrophobicContact CZ-CE 4.39Å; F145-F259 HydrophobicContact CB-CD2 4.47Å; F145-F259 HydrophobicContact CB-CE2 3.89Å; F145-F259 AromaticContact CD2-CE2 3.83Å; F145-F259 HydrophobicContact CD2-CE2 3.83Å; F145-F259 AromaticContact CD2-CZ 3.67Å; F145-F259 HydrophobicContact CD2-CZ 3.67Å; F145-F259 HydrophobicContact CE2-CZ 4.44Å; F145-F259 HydrophobicContact CG-CE2 4.38Å
146	V	94.9	Very high	92.3	Very high	66 Å²	66	44.7 Å²	44.7	40%	0.4	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-34.3	176	173.6	0	0	0	0	111.7	C142 W143 L144 P150 V185	C142-V146 WeakPolarHBondContact O-CG2 3.36Å; C142-V146 PolarHBondContact O-N 2.66Å; C142-V146 VanDerWaalsContact O-N 3.17Å; W143-V146 HydrophobicContact CE3-CB 4.37Å; W143-V146 HydrophobicContact CE3-CG1 4.38Å; W143-V146 HydrophobicContact CZ3-CG1 4.15Å; W143-V146 WeakPolarHBondContact O-CA 3.3Å; W143-V146 WeakPolarHBondContact O-CB 3.4Å; W143-V146 PolarHBondContact O-N 3.37Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 2.92Å; V146-P150 WeakPolarHBondContact O-CD 3.46Å; V146-V185 HydrophobicContact CG1-CG1 4.32Å
147	I	94.9	Very high	92.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-77.8	-34.2	176.3	-58.1	160	0	0	0	112.1	W143 L144 F145 M149 P150 V151 Y186 D189 R255	W143-I147 HydrophobicContact CG-CD1 4.47Å; W143-I147 HydrophobicContact CZ2-CG1 4.5Å; W143-I147 WeakPolarHBondContact O-CG1 3.45Å; W143-I147 PolarHBondContact O-N 2.91Å; L144-I147 HydrophobicContact CD2-CD1 4.41Å; L144-I147 PolarHBondContact O-N 3.37Å; F145-I147 VanDerWaalsContact C-N 3.28Å; F145-I147 PolarHBondContact O-N 3.42Å; I147-M149 PolarHBondContact O-N 3.44Å; I147-P150 WeakPolarHBondContact O-CD 3.34Å; I147-P150 WeakPolarHBondContact O-CG 3.38Å; I147-V151 HydrophobicContact CG2-CG2 3.95Å; I147-V151 WeakPolarHBondContact O-CG2 3.34Å; I147-V151 PolarHBondContact O-N 3.38Å; I147-V151 VanDerWaalsContact O-N 3.17Å; I147-Y186 HydrophobicContact CG2-CE1 4.45Å; I147-D189 HydrophobicContact CD1-CB 4.08Å; I147-D189 WeakPolarHBondContact CD1-OD1 3.39Å; I147-D189 HydrophobicContact CG1-CB 4.35Å; I147-R255 VanDerWaalsContact CD1-NH2 3.28Å; I147-R255 HydrophobicContact CG2-CB 3.82Å; I147-R255 HydrophobicContact CG2-CG 4.25Å
148	A	94.5	Very high	93.2	Very high	8 Å²	8	43.4 Å²	43.4	7%	0.066	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-37.2	179.4	0	0	0	0	0	111.5	L144 F145 V151 L152 M256 F259	L144-A148 PolarHBondContact O-N 3.18Å; F145-A148 PolarHBondContact O-N 2.93Å; A148-V151 PolarHBondContact O-N 2.95Å; A148-L152 WeakPolarHBondContact O-CB 3.3Å; A148-L152 PolarHBondContact O-N 2.83Å; A148-M256 HydrophobicContact CB-CE 4.04Å; A148-M256 HydrophobicContact CB-SD 3.84Å; A148-M256 WeakPolarHBondContact O-CE 3.3Å; A148-F259 HydrophobicContact CB-CB 4.48Å; A148-F259 HydrophobicContact CB-CD1 3.78Å; A148-F259 HydrophobicContact CB-CE1 4.18Å; A148-F259 HydrophobicContact CB-CG 4Å
149	M	93.7	Very high	93.5	Very high	115 Å²	115	39.3 Å²	39.3	57%	0.567	19%	0.19	S	C	*	.	H	α-helix	trans	-60	-56.7	178.6	-66.3	-63.7	-126.1	0	0	114.3	F145 I147 V151 L152 Y153	F145-M149 HydrophobicContact CZ-CE 4.39Å; I147-M149 PolarHBondContact O-N 3.44Å; M149-V151 VanDerWaalsContact C-N 3.31Å; M149-V151 PolarHBondContact O-N 3.45Å; M149-L152 PolarHBondContact O-N 2.83Å; M149-Y153 VanDerWaalsContact O-CB 3.32Å; M149-Y153 WeakPolarHBondContact O-CB 3.42Å; M149-Y153 PolarHBondContact O-N 3.13Å
150	P	94.8	Very high	93.8	Very high	15 Å²	15	35.4 Å²	35.4	10%	0.097	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-30.5	176	22.3	-31.4	0	0	0	113.3	V146 I147 N154 V185 Y186	V146-P150 WeakPolarHBondContact O-CD 3.46Å; I147-P150 WeakPolarHBondContact O-CD 3.34Å; I147-P150 WeakPolarHBondContact O-CG 3.38Å; P150-N154 WeakPolarHBondContact O-CB 3.33Å; P150-N154 PolarHBondContact O-N 3.11Å; P150-N154 PolarHBondContact O-ND2 3.44Å; P150-V185 HydrophobicContact CG-CB 4.42Å; P150-V185 HydrophobicContact CG-CG1 3.99Å; P150-Y186 VanDerWaalsContact C-OH 3.31Å; P150-Y186 HydrophobicContact CB-CE1 4Å; P150-Y186 HydrophobicContact CG-CE1 4Å; P150-Y186 PolarHBondContact O-OH 2.89Å
151	V	94.9	Very high	93.9	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-48	175	175.2	0	0	0	0	110.8	I147 A148 M149 N154 W155 Y186 H252 M256	I147-V151 HydrophobicContact CG2-CG2 3.95Å; I147-V151 WeakPolarHBondContact O-CG2 3.34Å; I147-V151 PolarHBondContact O-N 3.38Å; I147-V151 VanDerWaalsContact O-N 3.17Å; A148-V151 PolarHBondContact O-N 2.95Å; M149-V151 VanDerWaalsContact C-N 3.31Å; M149-V151 PolarHBondContact O-N 3.45Å; V151-N154 PolarHBondContact O-N 2.84Å; V151-W155 WeakPolarHBondContact O-CB 3.4Å; V151-W155 PolarHBondContact O-N 2.87Å; V151-Y186 VanDerWaalsContact CA-OH 3.28Å; V151-Y186 WeakPolarHBondContact CA-OH 3.44Å; V151-Y186 HydrophobicContact CG2-CE1 3.81Å; V151-Y186 PolarHBondContact N-OH 3.41Å; V151-H252 HydrophobicContact CG2-CB 4.42Å; V151-M256 HydrophobicContact CB-CE 4.06Å; V151-M256 HydrophobicContact CG1-CB 4.02Å; V151-M256 HydrophobicContact CG1-CE 4.04Å
152	L	94.4	Very high	94	Very high	60 Å²	60	32.9 Å²	32.9	31%	0.314	17%	0.169	S	C	.	.	H	α-helix	trans	-64.8	-40.7	176.8	-173.3	62.7	0	0	0	111.8	A148 M149 N154 W155 C156 M256 L280	A148-L152 WeakPolarHBondContact O-CB 3.3Å; A148-L152 PolarHBondContact O-N 2.83Å; M149-L152 PolarHBondContact O-N 2.83Å; L152-N154 PolarHBondContact O-N 2.88Å; L152-W155 PolarHBondContact O-N 2.71Å; L152-C156 PolarHBondContact O-N 2.96Å; L152-M256 HydrophobicContact CB-CE 3.79Å; L152-L280 HydrophobicContact CD1-CD1 4.23Å
153	Y	94.9	Very high	94	Very high	36 Å²	36	31.7 Å²	31.7	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-53.4	-53.4	172.8	165.2	-94.4	0	0	0	111.2	M149 C156 L157 R161 W175 L178 D179	M149-Y153 VanDerWaalsContact O-CB 3.32Å; M149-Y153 WeakPolarHBondContact O-CB 3.42Å; M149-Y153 PolarHBondContact O-N 3.13Å; Y153-C156 PolarHBondContact O-N 3.41Å; Y153-L157 HydrophobicContact CD2-CB 4.38Å; Y153-L157 HydrophobicContact CD2-CD1 3.46Å; Y153-L157 VanDerWaalsContact CD2-CD1 3.46Å; Y153-L157 HydrophobicContact CD2-CG 4.42Å; Y153-L157 HydrophobicContact CE2-CB 4.17Å; Y153-L157 HydrophobicContact CE2-CD1 3.48Å; Y153-L157 VanDerWaalsContact CE2-CD1 3.48Å; Y153-L157 HydrophobicContact CE2-CG 4.45Å; Y153-L157 WeakPolarHBondContact O-CB 3.13Å; Y153-L157 PolarHBondContact O-N 2.85Å; Y153-R161 PolarHBondContact OH-NH1 3.48Å; Y153-R161 VanDerWaalsContact OH-NH1 3.13Å; Y153-W175 HydrophobicContact CE2-CE3 4.4Å; Y153-W175 HydrophobicContact CE2-CZ3 4.24Å; Y153-L178 HydrophobicContact CE1-CB 4.44Å; Y153-L178 HydrophobicContact CE2-CB 4.09Å; Y153-L178 HydrophobicContact CE2-CD1 3.95Å; Y153-D179 PolarHBondContact OH-OD1 3.24Å; Y153-D179 VanDerWaalsContact OH-OD1 3.07Å
154	N	94.1	Very high	93.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.154	C	C	.	.	I	π-helix	trans	-66	-41.1	-179.2	-78.9	-60.3	0	0	0	111.4	P150 V151 L152 C156 L158 S182 Y186 L250	P150-N154 WeakPolarHBondContact O-CB 3.33Å; P150-N154 PolarHBondContact O-N 3.11Å; P150-N154 PolarHBondContact O-ND2 3.44Å; V151-N154 PolarHBondContact O-N 2.84Å; L152-N154 PolarHBondContact O-N 2.88Å; N154-C156 PolarHBondContact O-N 3.25Å; N154-L158 WeakPolarHBondContact O-CB 3.3Å; N154-L158 PolarHBondContact O-N 3.15Å; N154-S182 PolarHBondContact ND2-OG 3.22Å; N154-Y186 PolarHBondContact ND2-OH 3.28Å; N154-L250 WeakPolarHBondContact O-CD2 3.32Å
155	W	93.6	Very high	93.6	Very high	74 Å²	74	31.3 Å²	31.3	28%	0.28	16%	0.164	S	C	.	.	I	π-helix	trans	-65.9	-32.4	179.8	-97.6	68.2	0	0	0	114.6	V151 L152 L250 F253 V284 W288	V151-W155 WeakPolarHBondContact O-CB 3.4Å; V151-W155 PolarHBondContact O-N 2.87Å; L152-W155 PolarHBondContact O-N 2.71Å; W155-L250 HydrophobicContact CG-CD2 4.22Å; W155-L250 PolarHBondContact NE1-O 2.66Å; W155-F253 HydrophobicContact CZ2-CB 3.71Å; W155-F253 HydrophobicContact CZ2-CD1 4.21Å; W155-F253 HydrophobicContact CZ2-CG 4.1Å; W155-V284 HydrophobicContact CE3-CG1 3.95Å; W155-V284 HydrophobicContact CZ3-CG1 4.36Å; W155-W288 AromaticContact CD2-CZ2 3.98Å; W155-W288 HydrophobicContact CD2-CZ2 3.98Å; W155-W288 AromaticContact CE3-CE2 3.89Å; W155-W288 HydrophobicContact CE3-CH2 4.42Å; W155-W288 AromaticContact CE3-CZ2 3.54Å; W155-W288 HydrophobicContact CE3-CZ2 3.54Å; W155-W288 AromaticContact CE3-NE1 3.99Å; W155-W288 HydrophobicContact CH2-CZ2 4.49Å; W155-W288 HydrophobicContact CZ3-CH2 4.35Å; W155-W288 AromaticContact CZ3-CZ2 3.83Å; W155-W288 HydrophobicContact CZ3-CZ2 3.83Å; W155-W288 PolarHBondContact O-NE1 2.88Å
156	C	94.3	Very high	93.3	Very high	33 Å²	33	29 Å²	29	22%	0.223	16%	0.157	C	C	.	.	I	π-helix	trans	-92.1	-58.8	176.9	-63.6	0	0	0	0	111.3	L152 Y153 N154 L158 A160 H287	L152-C156 PolarHBondContact O-N 2.96Å; Y153-C156 PolarHBondContact O-N 3.41Å; N154-C156 PolarHBondContact O-N 3.25Å; C156-L158 PolarHBondContact O-N 3.01Å; C156-A160 PolarHBondContact O-N 3.31Å; C156-H287 PolarHBondContact O-NE2 3.4Å
157	L	94.1	Very high	93	Very high	59 Å²	59	27.4 Å²	27.4	31%	0.309	15%	0.146	S	C	.	.	I	π-helix	trans	-78.1	-26.6	-165.9	-67.6	172.5	0	0	0	113.4	Y153 R161 W175	Y153-L157 HydrophobicContact CD2-CB 4.38Å; Y153-L157 HydrophobicContact CD2-CD1 3.46Å; Y153-L157 VanDerWaalsContact CD2-CD1 3.46Å; Y153-L157 HydrophobicContact CD2-CG 4.42Å; Y153-L157 HydrophobicContact CE2-CB 4.17Å; Y153-L157 HydrophobicContact CE2-CD1 3.48Å; Y153-L157 VanDerWaalsContact CE2-CD1 3.48Å; Y153-L157 HydrophobicContact CE2-CG 4.45Å; Y153-L157 WeakPolarHBondContact O-CB 3.13Å; Y153-L157 PolarHBondContact O-N 2.85Å; L157-R161 VanDerWaalsContact O-CB 3.27Å; L157-R161 WeakPolarHBondContact O-CB 3.46Å; L157-R161 VanDerWaalsContact O-CD 3.24Å; L157-R161 WeakPolarHBondContact O-CD 3.25Å; L157-R161 WeakPolarHBondContact O-CG 3.43Å; L157-R161 PolarHBondContact O-N 3.39Å; L157-W175 HydrophobicContact CD1-CH2 4.48Å; L157-W175 HydrophobicContact CD1-CZ3 4.13Å
158	L	93.6	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-67.8	-43.4	179	-169.5	68.3	0	0	0	111.9	N154 C156 R161 A162 P243 R246 F247 L250	N154-L158 WeakPolarHBondContact O-CB 3.3Å; N154-L158 PolarHBondContact O-N 3.15Å; C156-L158 PolarHBondContact O-N 3.01Å; L158-R161 PolarHBondContact O-N 2.88Å; L158-A162 PolarHBondContact O-N 2.88Å; L158-A162 VanDerWaalsContact O-N 3.09Å; L158-P243 HydrophobicContact CD1-CB 4.47Å; L158-R246 HydrophobicContact CD1-CB 3.82Å; L158-R246 HydrophobicContact CD2-CB 4.16Å; L158-R246 WeakPolarHBondContact CD2-O 3.37Å; L158-F247 HydrophobicContact CD2-CD1 3.81Å; L158-F247 HydrophobicContact CD2-CE1 4.44Å; L158-F247 HydrophobicContact CG-CD1 4.05Å; L158-F247 HydrophobicContact CG-CE1 4.2Å; L158-L250 HydrophobicContact CD2-CD2 4.26Å; L158-L250 HydrophobicContact CD2-CG 4.19Å
159	V	94.6	Very high	92.5	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-44.8	176.8	-179.6	0	0	0	0	110.2	R161 A162 C163 L250 W288 C291	V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.75Å; V159-A162 PolarHBondContact O-N 2.93Å; V159-A162 VanDerWaalsContact O-N 3.17Å; V159-C163 PolarHBondContact O-N 2.95Å; V159-C163 VanDerWaalsContact O-N 3.16Å; V159-C163 PolarHBondContact O-SG 2.99Å; V159-L250 HydrophobicContact CG2-CD1 4.36Å; V159-W288 HydrophobicContact CG1-CD2 4.47Å; V159-W288 HydrophobicContact CG2-CD2 4.19Å; V159-W288 HydrophobicContact CG2-CE3 4.43Å; V159-W288 HydrophobicContact CG2-CH2 3.94Å; V159-W288 HydrophobicContact CG2-CZ2 3.6Å; V159-W288 HydrophobicContact CG2-CZ3 4.32Å; V159-C291 HydrophobicContact CG1-CB 3.77Å
160	A	94.5	Very high	92.2	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-56.4	-45.6	174.5	0	0	0	0	0	112.2	C156 A162 C163 F164 L167	C156-A160 PolarHBondContact O-N 3.31Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 3.47Å; A160-C163 PolarHBondContact O-N 3.28Å; A160-F164 WeakPolarHBondContact O-CB 3.39Å; A160-F164 VanDerWaalsContact O-CD2 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.48Å; A160-F164 PolarHBondContact O-N 3.46Å; A160-L167 HydrophobicContact CB-CD2 4.23Å
161	R	93.3	Very high	91.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-30.6	179.4	-74.1	162.7	57.8	-162.3	-2.9	113.2	Y153 L157 L158 V159 L167 D179 P243	Y153-R161 PolarHBondContact OH-NH1 3.48Å; Y153-R161 VanDerWaalsContact OH-NH1 3.13Å; L157-R161 VanDerWaalsContact O-CB 3.27Å; L157-R161 WeakPolarHBondContact O-CB 3.46Å; L157-R161 VanDerWaalsContact O-CD 3.24Å; L157-R161 WeakPolarHBondContact O-CD 3.25Å; L157-R161 WeakPolarHBondContact O-CG 3.43Å; L157-R161 PolarHBondContact O-N 3.39Å; L158-R161 PolarHBondContact O-N 2.88Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.75Å; R161-L167 HydrophobicContact CG-CD2 3.98Å; R161-L167 HydrophobicContact CG-CG 4.27Å; R161-D179 IonicContact CZ-OD1 2.72Å; R161-D179 IonicContact CZ-OD2 3.23Å; R161-D179 IonicContact NH1-OD1 3.97Å; R161-D179 PolarHBondContact NH1-OD1 3.22Å; R161-D179 IonicContact NH1-OD2 3.86Å; R161-D179 PolarHBondContact NH1-OD2 3.19Å; R161-D179 IonicContact NH2-OD1 3.71Å; R161-D179 IonicContact NH2-OD2 3.73Å; R161-D179 PolarHBondContact NH2-OD2 3.41Å; R161-P243 HydrophobicContact CB-CB 4.33Å; R161-P243 HydrophobicContact CB-CG 4.13Å; R161-P243 WeakPolarHBondContact O-CG 3.35Å
162	A	92.2	Very high	91.6	Very high	13 Å²	13	42.9 Å²	42.9	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-41.4	175	0	0	0	0	0	111.8	L158 V159 A160 P243 E244 F247	L158-A162 PolarHBondContact O-N 2.88Å; L158-A162 VanDerWaalsContact O-N 3.09Å; V159-A162 PolarHBondContact O-N 2.93Å; V159-A162 VanDerWaalsContact O-N 3.17Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 3.47Å; A162-P243 HydrophobicContact CB-CG 4.34Å; A162-E244 HydrophobicContact CB-CG 3.89Å; A162-F247 HydrophobicContact CB-CE1 3.87Å; A162-F247 HydrophobicContact CB-CZ 3.66Å
163	C	92.6	Very high	91.4	Very high	15 Å²	15	45.3 Å²	45.3	10%	0.101	22%	0.22	C	C	.	.	H	α-helix	trans	-81.3	-49.8	-177.5	-57.1	0	0	0	0	112	V159 A160 S165 C291 Y294 A295	V159-C163 PolarHBondContact O-N 2.95Å; V159-C163 VanDerWaalsContact O-N 3.16Å; V159-C163 PolarHBondContact O-SG 2.99Å; A160-C163 PolarHBondContact O-N 3.28Å; C163-S165 PolarHBondContact O-N 2.87Å; C163-C291 HydrophobicContact CB-CB 4.13Å; C163-C291 PolarHBondContact SG-O 3.45Å; C163-Y294 HydrophobicContact CB-CD1 4.27Å; C163-Y294 WeakPolarHBondContact O-CD1 3.3Å; C163-Y294 VanDerWaalsContact O-CE1 3.23Å; C163-Y294 WeakPolarHBondContact O-CE1 3.42Å; C163-A295 HydrophobicContact CB-CB 4.45Å
164	F	91.9	Very high	91.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	24%	0.235	C	C	.	.			trans	-91	92.4	-177.6	-60.5	-83.3	0	0	0	110.8	A160 D166 L167 Y294 L320 E323 Y324	A160-F164 WeakPolarHBondContact O-CB 3.39Å; A160-F164 VanDerWaalsContact O-CD2 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.48Å; A160-F164 PolarHBondContact O-N 3.46Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 2.84Å; F164-L167 HydrophobicContact CB-CB 4.17Å; F164-L167 WeakPolarHBondContact O-CB 3.27Å; F164-L167 PolarHBondContact O-N 3.45Å; F164-Y294 AromaticContact CD1-CD1 3.98Å; F164-Y294 HydrophobicContact CD1-CD1 3.98Å; F164-Y294 HydrophobicContact CD1-CD2 4.22Å; F164-Y294 AromaticContact CD1-CE1 3.86Å; F164-Y294 HydrophobicContact CD1-CE1 3.86Å; F164-Y294 HydrophobicContact CD1-CE2 4.1Å; F164-Y294 HydrophobicContact CD1-CG 4.15Å; F164-Y294 AromaticContact CD1-CZ 3.91Å; F164-Y294 AromaticContact CE1-CD1 3.9Å; F164-Y294 HydrophobicContact CE1-CD1 3.9Å; F164-Y294 AromaticContact CE1-CD2 3.58Å; F164-Y294 HydrophobicContact CE1-CD2 3.58Å; F164-Y294 HydrophobicContact CE1-CE1 4.16Å; F164-Y294 AromaticContact CE1-CE2 3.85Å; F164-Y294 HydrophobicContact CE1-CE2 3.85Å; F164-Y294 AromaticContact CE1-CG 3.59Å; F164-Y294 HydrophobicContact CE1-CG 3.59Å; F164-Y294 HydrophobicContact CG-CD1 4.46Å; F164-Y294 HydrophobicContact CG-CE1 4.45Å; F164-Y294 HydrophobicContact CZ-CD1 4.32Å; F164-Y294 HydrophobicContact CZ-CD2 4.23Å; F164-Y294 AromaticContact CZ-CG 3.91Å; F164-Y294 HydrophobicContact CZ-CG 3.91Å; F164-L320 HydrophobicContact CB-CD1 3.87Å; F164-L320 HydrophobicContact CD1-CD1 4.19Å; F164-L320 HydrophobicContact CG-CD1 4.29Å; F164-E323 HydrophobicContact CD1-CB 4.14Å; F164-E323 HydrophobicContact CE1-CB 3.86Å; F164-Y324 HydrophobicContact CD2-CD2 4.41Å; F164-Y324 AromaticContact CE2-CD2 3.7Å; F164-Y324 HydrophobicContact CE2-CD2 3.7Å; F164-Y324 HydrophobicContact CE2-CE2 4.41Å; F164-Y324 AromaticContact CZ-CD2 3.83Å; F164-Y324 HydrophobicContact CZ-CD2 3.83Å
165	S	86.1	Confident	91.2	Very high	32 Å²	32	48.5 Å²	48.5	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-30.3	-172.1	-57.9	0	0	0	0	114.1	C163 L167 Q168 K169 K298	C163-S165 PolarHBondContact O-N 2.87Å; S165-L167 VanDerWaalsContact C-N 3.34Å; S165-Q168 PolarHBondContact O-N 3.25Å; S165-K169 WeakPolarHBondContact O-CG 3.49Å; S165-K169 PolarHBondContact O-N 2.94Å; S165-K169 VanDerWaalsContact O-N 3.07Å; S165-K298 PolarHBondContact OG-NZ 3.05Å
166	D	87.5	Confident	91.1	Very high	59 Å²	59	48 Å²	48	32%	0.316	24%	0.242	S	C	.	.	H	α-helix	trans	-70.3	-34	-179.7	-64.6	-17.2	0	0	0	111.4	F164 Q168 K169 D170	F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 2.84Å; D166-Q168 VanDerWaalsContact C-N 3.28Å; D166-Q168 PolarHBondContact O-N 3.45Å; D166-K169 PolarHBondContact O-N 3.49Å; D166-D170 WeakPolarHBondContact O-CB 3.4Å; D166-D170 PolarHBondContact O-N 2.82Å
167	L	89.1	Confident	91.1	Very high	31 Å²	31	50.2 Å²	50.2	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-40.5	172.1	-176.4	66.3	0	0	0	111.9	A160 R161 F164 S165 W175 L320	A160-L167 HydrophobicContact CB-CD2 4.23Å; R161-L167 HydrophobicContact CG-CD2 3.98Å; R161-L167 HydrophobicContact CG-CG 4.27Å; F164-L167 HydrophobicContact CB-CB 4.17Å; F164-L167 WeakPolarHBondContact O-CB 3.27Å; F164-L167 PolarHBondContact O-N 3.45Å; S165-L167 VanDerWaalsContact C-N 3.34Å; L167-W175 HydrophobicContact CD1-CZ2 3.84Å; L167-W175 HydrophobicContact CG-CZ2 4.13Å; L167-W175 PolarHBondContact O-NE1 2.82Å; L167-L320 HydrophobicContact CB-CD1 4.13Å; L167-L320 HydrophobicContact CB-CD2 3.98Å; L167-L320 HydrophobicContact CD1-CD2 3.9Å
168	Q	89.1	Confident	91.1	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-73.4	-39.4	178.4	175.4	65.3	10.4	0	0	111.9	S165 D166 Y172 I240 P243	S165-Q168 PolarHBondContact O-N 3.25Å; D166-Q168 VanDerWaalsContact C-N 3.28Å; D166-Q168 PolarHBondContact O-N 3.45Å; Q168-Y172 WeakPolarHBondContact O-CA 3.27Å; Q168-Y172 VanDerWaalsContact O-CB 3.23Å; Q168-Y172 WeakPolarHBondContact O-CB 3.48Å; Q168-Y172 PolarHBondContact O-N 3.22Å; Q168-I240 PolarHBondContact NE2-O 2.92Å; Q168-P243 HydrophobicContact CG-CG 4.24Å
169	K	88.1	Confident	91.1	Very high	109 Å²	109	50.8 Å²	50.8	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-72.2	-46.1	-175.8	-72	172.4	-173.6	168.9	0	112.6	S165 D166 Y171	S165-K169 WeakPolarHBondContact O-CG 3.49Å; S165-K169 PolarHBondContact O-N 2.94Å; S165-K169 VanDerWaalsContact O-N 3.07Å; D166-K169 PolarHBondContact O-N 3.49Å; K169-Y171 VanDerWaalsContact C-N 3.32Å; K169-Y171 PolarHBondContact O-N 3.45Å
170	D	88.3	Confident	91	Very high	109 Å²	109	55.1 Å²	55.1	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-68.2	-32.7	-172.5	-70.9	-10.6	0	0	0	112.7	D166	D166-D170 WeakPolarHBondContact O-CB 3.4Å; D166-D170 PolarHBondContact O-N 2.82Å
171	Y	88.9	Confident	91	Very high	133 Å²	133	59 Å²	59	52%	0.522	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	23	-172.5	-57.6	-79.4	0	0	0	114	K169 L173 V174 W175	K169-Y171 VanDerWaalsContact C-N 3.32Å; K169-Y171 PolarHBondContact O-N 3.45Å; Y171-L173 PolarHBondContact O-N 3.49Å; Y171-V174 PolarHBondContact O-N 2.92Å; Y171-W175 VanDerWaalsContact C-CD1 3.48Å; Y171-W175 PolarHBondContact O-N 3.21Å; Y171-W175 VanDerWaalsContact O-N 3.14Å
172	Y	87.5	Confident	91.1	Very high	109 Å²	109	59.1 Å²	59.1	43%	0.427	30%	0.298	S	S	.	.	H	α-helix	trans	-52.3	-36	-171.8	79.9	-86.7	0	0	0	114.5	Q168 W175 L176	Q168-Y172 WeakPolarHBondContact O-CA 3.27Å; Q168-Y172 VanDerWaalsContact O-CB 3.23Å; Q168-Y172 WeakPolarHBondContact O-CB 3.48Å; Q168-Y172 PolarHBondContact O-N 3.22Å; Y172-W175 PolarHBondContact O-N 2.87Å; Y172-L176 WeakPolarHBondContact O-CB 3.31Å; Y172-L176 PolarHBondContact O-N 3.07Å
173	L	90.4	Very high	91.2	Very high	112 Å²	112	59.3 Å²	59.3	59%	0.586	30%	0.297	S	S	*	.	H	α-helix	trans	-69.8	-38.7	-179.8	-172.4	132.9	0	0	0	112.4	Y171 W175 L176 V177	Y171-L173 PolarHBondContact O-N 3.49Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-L176 PolarHBondContact O-N 2.68Å; L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 3.37Å
174	V	93.2	Very high	91.3	Very high	75 Å²	75	63.3 Å²	63.3	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-44	175.2	177.3	0	0	0	0	109.6	Y171 L176 V177 L178	Y171-V174 PolarHBondContact O-N 2.92Å; V174-L176 PolarHBondContact O-N 3.12Å; V174-V177 PolarHBondContact O-N 3.43Å; V174-L178 HydrophobicContact CG1-CD1 4.07Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.17Å
175	W	92.5	Very high	91.4	Very high	29 Å²	29	64.6 Å²	64.6	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44	178.2	-60.6	137.2	0	0	0	113	Y153 L157 L167 Y171 Y172 L173 V177 L178 D179	Y153-W175 HydrophobicContact CE2-CE3 4.4Å; Y153-W175 HydrophobicContact CE2-CZ3 4.24Å; L157-W175 HydrophobicContact CD1-CH2 4.48Å; L157-W175 HydrophobicContact CD1-CZ3 4.13Å; L167-W175 HydrophobicContact CD1-CZ2 3.84Å; L167-W175 HydrophobicContact CG-CZ2 4.13Å; L167-W175 PolarHBondContact O-NE1 2.82Å; Y171-W175 VanDerWaalsContact C-CD1 3.48Å; Y171-W175 PolarHBondContact O-N 3.21Å; Y171-W175 VanDerWaalsContact O-N 3.14Å; Y172-W175 PolarHBondContact O-N 2.87Å; L173-W175 VanDerWaalsContact C-N 3.33Å; W175-V177 VanDerWaalsContact C-N 3.29Å; W175-V177 PolarHBondContact O-N 3.41Å; W175-L178 HydrophobicContact CE3-CD1 4Å; W175-L178 HydrophobicContact CZ3-CD1 4.01Å; W175-L178 PolarHBondContact O-N 3.24Å; W175-D179 WeakPolarHBondContact O-CB 3.35Å; W175-D179 PolarHBondContact O-N 3.38Å
176	L	90.8	Very high	91.8	Very high	63 Å²	63	63 Å²	63	33%	0.33	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-42.2	177.4	-173.7	149.3	0	0	0	111.7	Y172 L173 V174 Y180	Y172-L176 WeakPolarHBondContact O-CB 3.31Å; Y172-L176 PolarHBondContact O-N 3.07Å; L173-L176 PolarHBondContact O-N 2.68Å; V174-L176 PolarHBondContact O-N 3.12Å; L176-Y180 HydrophobicContact CD1-CE2 4.18Å; L176-Y180 HydrophobicContact CD2-CD2 3.56Å; L176-Y180 HydrophobicContact CD2-CE2 3.54Å; L176-Y180 HydrophobicContact CG-CD2 3.85Å; L176-Y180 HydrophobicContact CG-CE2 3.54Å; L176-Y180 WeakPolarHBondContact O-CD2 3.4Å; L176-Y180 PolarHBondContact O-N 3.24Å; L176-Y180 VanDerWaalsContact O-N 3.17Å
177	V	93.9	Very high	92.2	Very high	80 Å²	80	63.7 Å²	63.7	49%	0.485	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-47.1	176	172.9	0	0	0	0	111.1	L173 V174 W175 V181	L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 3.37Å; V174-V177 PolarHBondContact O-N 3.43Å; W175-V177 VanDerWaalsContact C-N 3.29Å; W175-V177 PolarHBondContact O-N 3.41Å; V177-V181 HydrophobicContact CG1-CG2 4.39Å; V177-V181 WeakPolarHBondContact O-CB 3.5Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 3.33Å
178	L	94.4	Very high	92.4	Very high	69 Å²	69	63.8 Å²	63.8	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-40.7	-179.7	-68.9	175.6	0	0	0	112.5	Y153 V174 W175 V181 S182	Y153-L178 HydrophobicContact CE1-CB 4.44Å; Y153-L178 HydrophobicContact CE2-CB 4.09Å; Y153-L178 HydrophobicContact CE2-CD1 3.95Å; V174-L178 HydrophobicContact CG1-CD1 4.07Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.17Å; W175-L178 HydrophobicContact CE3-CD1 4Å; W175-L178 HydrophobicContact CZ3-CD1 4.01Å; W175-L178 PolarHBondContact O-N 3.24Å; L178-V181 PolarHBondContact O-N 3.34Å; L178-S182 PolarHBondContact O-N 3.01Å
179	D	93.3	Very high	92.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-52.6	177.4	-69.1	-20.8	0	0	0	110.5	Y153 R161 W175 V181 S182 D183 R246	Y153-D179 PolarHBondContact OH-OD1 3.24Å; Y153-D179 VanDerWaalsContact OH-OD1 3.07Å; R161-D179 IonicContact CZ-OD1 2.72Å; R161-D179 IonicContact CZ-OD2 3.23Å; R161-D179 IonicContact NH1-OD1 3.97Å; R161-D179 PolarHBondContact NH1-OD1 3.22Å; R161-D179 IonicContact NH1-OD2 3.86Å; R161-D179 PolarHBondContact NH1-OD2 3.19Å; R161-D179 IonicContact NH2-OD1 3.71Å; R161-D179 IonicContact NH2-OD2 3.73Å; R161-D179 PolarHBondContact NH2-OD2 3.41Å; W175-D179 WeakPolarHBondContact O-CB 3.35Å; W175-D179 PolarHBondContact O-N 3.38Å; D179-V181 PolarHBondContact O-N 3.22Å; D179-S182 WeakPolarHBondContact O-CB 3.47Å; D179-S182 PolarHBondContact O-N 3.25Å; D179-S182 VanDerWaalsContact O-N 3.11Å; D179-S182 PolarHBondContact O-OG 3.21Å; D179-D183 PolarHBondContact O-N 3.22Å; D179-R246 IonicContact OD2-CZ 2.76Å; D179-R246 IonicContact OD2-NH1 3.56Å; D179-R246 PolarHBondContact OD2-NH1 3.25Å
180	Y	92.8	Very high	92.9	Very high	102 Å²	102	59.5 Å²	59.5	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-70.5	-30	-179	-70.5	-56.4	0	0	0	113.3	L176 S182 D183 V184 R246	L176-Y180 HydrophobicContact CD1-CE2 4.18Å; L176-Y180 HydrophobicContact CD2-CD2 3.56Å; L176-Y180 HydrophobicContact CD2-CE2 3.54Å; L176-Y180 HydrophobicContact CG-CD2 3.85Å; L176-Y180 HydrophobicContact CG-CE2 3.54Å; L176-Y180 WeakPolarHBondContact O-CD2 3.4Å; L176-Y180 PolarHBondContact O-N 3.24Å; L176-Y180 VanDerWaalsContact O-N 3.17Å; Y180-S182 VanDerWaalsContact C-N 3.32Å; Y180-D183 PolarHBondContact O-N 2.81Å; Y180-V184 VanDerWaalsContact O-CG2 3.29Å; Y180-V184 WeakPolarHBondContact O-CG2 3.42Å; Y180-V184 PolarHBondContact O-N 3.39Å; Y180-R246 VanDerWaalsContact CE1-NH2 3.31Å; Y180-R246 PolarHBondContact OH-NH2 3.4Å
181	V	95.1	Very high	93	Very high	85 Å²	85	60.7 Å²	60.7	52%	0.515	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-42.3	169.7	168.1	0	0	0	0	110.2	V177 L178 D179 V184 V185	V177-V181 HydrophobicContact CG1-CG2 4.39Å; V177-V181 WeakPolarHBondContact O-CB 3.5Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 3.33Å; L178-V181 PolarHBondContact O-N 3.34Å; D179-V181 PolarHBondContact O-N 3.22Å; V181-V184 PolarHBondContact O-N 2.59Å; V181-V185 WeakPolarHBondContact O-CG2 3.47Å; V181-V185 PolarHBondContact O-N 3.1Å; V181-V185 VanDerWaalsContact O-N 3.12Å
182	S	94.6	Very high	93.1	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-42	176.7	80.5	0	0	0	0	112.3	N154 L178 D179 Y180 V184 V185 Y186	N154-S182 PolarHBondContact ND2-OG 3.22Å; L178-S182 PolarHBondContact O-N 3.01Å; D179-S182 WeakPolarHBondContact O-CB 3.47Å; D179-S182 PolarHBondContact O-N 3.25Å; D179-S182 VanDerWaalsContact O-N 3.11Å; D179-S182 PolarHBondContact O-OG 3.21Å; Y180-S182 VanDerWaalsContact C-N 3.32Å; S182-V184 PolarHBondContact O-N 3.12Å; S182-V185 PolarHBondContact O-N 3.29Å; S182-V185 VanDerWaalsContact O-N 3.15Å; S182-Y186 PolarHBondContact O-N 3.09Å
183	D	94.3	Very high	93.3	Very high	16 Å²	16	51.4 Å²	51.4	9%	0.086	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-40.5	176.3	-77.6	-16.3	0	0	0	111.6	D179 Y180 V185 Y186 I187 R249	D179-D183 PolarHBondContact O-N 3.22Å; Y180-D183 PolarHBondContact O-N 2.81Å; D183-V185 VanDerWaalsContact C-N 3.31Å; D183-V185 PolarHBondContact O-N 3.4Å; D183-Y186 PolarHBondContact O-N 3.32Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.09Å; D183-I187 PolarHBondContact O-N 3.38Å; D183-R249 IonicContact OD1-CZ 2.85Å; D183-R249 IonicContact OD1-NE 3.23Å; D183-R249 PolarHBondContact OD1-NE 2.87Å; D183-R249 IonicContact OD1-NH2 2.66Å; D183-R249 IonicContact OD2-CZ 2.96Å; D183-R249 IonicContact OD2-NE 3.91Å; D183-R249 IonicContact OD2-NH2 2.68Å; D183-R249 PolarHBondContact OD2-NH2 3.07Å
184	V	94.6	Very high	93.3	Very high	100 Å²	100	47.9 Å²	47.9	61%	0.606	25%	0.254	S	S	*	.	H	α-helix	trans	-61.6	-40	174.6	169.5	0	0	0	0	111.4	Y180 V181 S182 I187 A188	Y180-V184 VanDerWaalsContact O-CG2 3.29Å; Y180-V184 WeakPolarHBondContact O-CG2 3.42Å; Y180-V184 PolarHBondContact O-N 3.39Å; V181-V184 PolarHBondContact O-N 2.59Å; S182-V184 PolarHBondContact O-N 3.12Å; V184-I187 PolarHBondContact O-N 3.11Å; V184-A188 WeakPolarHBondContact O-CB 3.43Å; V184-A188 PolarHBondContact O-N 2.92Å
185	V	95.6	Very high	93.1	Very high	28 Å²	28	49.3 Å²	49.3	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-42.1	176.4	174.7	0	0	0	0	111.1	W143 V146 P150 V181 S182 D183 A188 D189	W143-V185 HydrophobicContact CH2-CG1 4.39Å; V146-V185 HydrophobicContact CG1-CG1 4.32Å; P150-V185 HydrophobicContact CG-CB 4.42Å; P150-V185 HydrophobicContact CG-CG1 3.99Å; V181-V185 WeakPolarHBondContact O-CG2 3.47Å; V181-V185 PolarHBondContact O-N 3.1Å; V181-V185 VanDerWaalsContact O-N 3.12Å; S182-V185 PolarHBondContact O-N 3.29Å; S182-V185 VanDerWaalsContact O-N 3.15Å; D183-V185 VanDerWaalsContact C-N 3.31Å; D183-V185 PolarHBondContact O-N 3.4Å; V185-A188 PolarHBondContact O-N 3.3Å; V185-D189 PolarHBondContact O-N 2.96Å
186	Y	94.8	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.3	-64.8	-23.4	0	0	0	112.8	I147 P150 V151 N154 S182 D183 A188 D189 I190 R249 H252	I147-Y186 HydrophobicContact CG2-CE1 4.45Å; P150-Y186 VanDerWaalsContact C-OH 3.31Å; P150-Y186 HydrophobicContact CB-CE1 4Å; P150-Y186 HydrophobicContact CG-CE1 4Å; P150-Y186 PolarHBondContact O-OH 2.89Å; V151-Y186 VanDerWaalsContact CA-OH 3.28Å; V151-Y186 WeakPolarHBondContact CA-OH 3.44Å; V151-Y186 HydrophobicContact CG2-CE1 3.81Å; V151-Y186 PolarHBondContact N-OH 3.41Å; N154-Y186 PolarHBondContact ND2-OH 3.28Å; S182-Y186 PolarHBondContact O-N 3.09Å; D183-Y186 PolarHBondContact O-N 3.32Å; Y186-A188 VanDerWaalsContact C-N 3.34Å; Y186-D189 WeakPolarHBondContact O-CB 3.35Å; Y186-D189 PolarHBondContact O-N 2.92Å; Y186-I190 PolarHBondContact O-N 3.47Å; Y186-I190 VanDerWaalsContact O-N 3.08Å; Y186-R249 HydrophobicContact CE2-CG 4.4Å; Y186-H252 AromaticContact CD1-CD2 3.62Å; Y186-H252 AromaticContact CD1-CE1 3.93Å; Y186-H252 AromaticContact CD1-NE2 3.57Å; Y186-H252 HydrophobicContact CE1-CB 4.4Å; Y186-H252 AromaticContact CE1-CD2 3.5Å; Y186-H252 VanDerWaalsContact CE1-CD2 3.5Å; Y186-H252 WeakPolarHBondContact CE1-CD2 3.4Å; Y186-H252 AromaticContact CE1-CG 3.91Å; Y186-H252 AromaticContact CE1-NE2 3.94Å; Y186-H252 HydrophobicContact CE2-CB 4.28Å
187	I	94.4	Very high	92.8	Very high	73 Å²	73	46.3 Å²	46.3	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-46.3	174.7	-70.4	166.5	0	0	0	109.9	D183 V184 D189 I190 F191 I228	D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.09Å; D183-I187 PolarHBondContact O-N 3.38Å; V184-I187 PolarHBondContact O-N 3.11Å; I187-D189 PolarHBondContact O-N 3.02Å; I187-I190 PolarHBondContact O-N 3.48Å; I187-F191 HydrophobicContact CG2-CD2 3.95Å; I187-F191 HydrophobicContact CG2-CE2 3.5Å; I187-F191 VanDerWaalsContact CG2-CE2 3.5Å; I187-F191 WeakPolarHBondContact O-CD2 3.5Å; I187-F191 PolarHBondContact O-N 2.97Å; I187-I228 HydrophobicContact CD1-CG2 4.26Å; I187-I228 HydrophobicContact CG1-CD1 4.03Å; I187-I228 HydrophobicContact CG1-CG2 3.76Å
188	A	93.8	Very high	92.5	Very high	33 Å²	33	44.9 Å²	44.9	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-36.9	175.3	0	0	0	0	0	112	W143 V184 V185 Y186 F191 I192	W143-A188 HydrophobicContact CH2-CB 3.86Å; W143-A188 HydrophobicContact CZ2-CB 3.97Å; V184-A188 WeakPolarHBondContact O-CB 3.43Å; V184-A188 PolarHBondContact O-N 2.92Å; V185-A188 PolarHBondContact O-N 3.3Å; Y186-A188 VanDerWaalsContact C-N 3.34Å; A188-F191 PolarHBondContact O-N 3.43Å; A188-I192 PolarHBondContact O-N 3.46Å
189	D	94.1	Very high	92.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-45.2	177.1	-170.8	49.3	0	0	0	112.2	W143 I147 V185 Y186 I187 F191 I192 R193 H252 R255	W143-D189 HydrophobicContact CZ2-CB 4.25Å; W143-D189 PolarHBondContact NE1-OD1 3.49Å; I147-D189 HydrophobicContact CD1-CB 4.08Å; I147-D189 WeakPolarHBondContact CD1-OD1 3.39Å; I147-D189 HydrophobicContact CG1-CB 4.35Å; V185-D189 PolarHBondContact O-N 2.96Å; Y186-D189 WeakPolarHBondContact O-CB 3.35Å; Y186-D189 PolarHBondContact O-N 2.92Å; I187-D189 PolarHBondContact O-N 3.02Å; D189-F191 VanDerWaalsContact C-N 3.25Å; D189-F191 PolarHBondContact O-N 2.94Å; D189-I192 WeakPolarHBondContact O-CB 3.49Å; D189-I192 PolarHBondContact O-N 3.17Å; D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.39Å; D189-R193 PolarHBondContact O-N 3.05Å; D189-H252 IonicContact OD2-NE2 3.1Å; D189-R255 IonicContact OD1-CZ 2.73Å; D189-R255 IonicContact OD1-NE 3.9Å; D189-R255 IonicContact OD1-NH2 3Å; D189-R255 PolarHBondContact OD1-NH2 3.24Å; D189-R255 IonicContact OD2-CZ 3.66Å; D189-R255 IonicContact OD2-NE 2.71Å; D189-R255 PolarHBondContact OD2-NE 2.85Å; D189-R255 IonicContact OD2-NH2 3.95Å; D189-R255 PolarHBondContact OD2-NH2 3.07Å
190	I	92.9	Very high	91.9	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-42.3	175	-65.7	-172.6	0	0	0	111	Y186 I187 I192 R193 L194 Y215 D224 I228	Y186-I190 PolarHBondContact O-N 3.47Å; Y186-I190 VanDerWaalsContact O-N 3.08Å; I187-I190 PolarHBondContact O-N 3.48Å; I190-I192 PolarHBondContact O-N 3.43Å; I190-R193 PolarHBondContact O-N 3.43Å; I190-L194 HydrophobicContact CG2-CD1 4.03Å; I190-L194 HydrophobicContact CG2-CG 4.49Å; I190-L194 WeakPolarHBondContact O-CD1 3.48Å; I190-L194 VanDerWaalsContact O-CG 3.27Å; I190-L194 WeakPolarHBondContact O-CG 3.39Å; I190-L194 PolarHBondContact O-N 2.84Å; I190-Y215 HydrophobicContact CG2-CE1 4.45Å; I190-D224 HydrophobicContact CD1-CB 3.91Å; I190-D224 HydrophobicContact CG1-CB 4Å; I190-I228 HydrophobicContact CD1-CD1 3.38Å; I190-I228 HydrophobicContact CD1-CG1 4.49Å; I190-I228 HydrophobicContact CG1-CD1 4Å
191	F	91.9	Very high	91.6	Very high	135 Å²	135	56 Å²	56	59%	0.592	28%	0.284	S	S	*	.	H	α-helix	trans	-63.5	-40.2	176.6	-74.4	-65.8	0	0	0	112.9	I187 A188 D189 R195	I187-F191 HydrophobicContact CG2-CD2 3.95Å; I187-F191 HydrophobicContact CG2-CE2 3.5Å; I187-F191 VanDerWaalsContact CG2-CE2 3.5Å; I187-F191 WeakPolarHBondContact O-CD2 3.5Å; I187-F191 PolarHBondContact O-N 2.97Å; A188-F191 PolarHBondContact O-N 3.43Å; D189-F191 VanDerWaalsContact C-N 3.25Å; D189-F191 PolarHBondContact O-N 2.94Å; F191-R195 WeakPolarHBondContact O-CG 3.37Å
192	I	91.2	Very high	91	Very high	22 Å²	22	54.9 Å²	54.9	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-44	175.9	-81.1	164.1	0	0	0	110.5	L133 W143 A188 D189 I190 L194 R195 T196	L133-I192 HydrophobicContact CD1-CB 4.17Å; L133-I192 HydrophobicContact CD1-CG1 4.01Å; L133-I192 HydrophobicContact CD1-CG2 3.56Å; W143-I192 HydrophobicContact CD2-CD1 3.55Å; W143-I192 HydrophobicContact CE3-CD1 4.08Å; W143-I192 HydrophobicContact CG-CD1 4.04Å; W143-I192 HydrophobicContact CH2-CD1 4.04Å; W143-I192 HydrophobicContact CZ2-CD1 3.5Å; W143-I192 HydrophobicContact CZ3-CD1 4.3Å; A188-I192 PolarHBondContact O-N 3.46Å; D189-I192 WeakPolarHBondContact O-CB 3.49Å; D189-I192 PolarHBondContact O-N 3.17Å; I190-I192 PolarHBondContact O-N 3.43Å; I192-L194 PolarHBondContact O-N 3.44Å; I192-R195 CarbonylContact O-C 3.58Å; I192-R195 VanDerWaalsContact O-C 3.31Å; I192-R195 WeakPolarHBondContact O-CA 3.32Å; I192-R195 WeakPolarHBondContact O-CB 3.48Å; I192-R195 PolarHBondContact O-N 3.46Å; I192-T196 PolarHBondContact O-N 3.34Å; I192-T196 PolarHBondContact O-OG1 3.49Å; I192-T196 VanDerWaalsContact O-OG1 3.06Å
193	R	90.2	Very high	90.7	Very high	24 Å²	24	61 Å²	61	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-34.3	-179.5	-65.4	-172	79.1	-149.6	-6.3	113.6	D189 I190 R195 T196 Y215 Q220 D224	D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.39Å; D189-R193 PolarHBondContact O-N 3.05Å; I190-R193 PolarHBondContact O-N 3.43Å; R193-R195 PolarHBondContact O-N 3.28Å; R193-R195 VanDerWaalsContact O-N 3.08Å; R193-T196 WeakPolarHBondContact CA-OG1 3.49Å; R193-T196 PolarHBondContact O-N 3.2Å; R193-T196 VanDerWaalsContact O-N 3.17Å; R193-Y215 HydrophobicContact CB-CD1 4.31Å; R193-Y215 HydrophobicContact CB-CE1 3.82Å; R193-Y215 HydrophobicContact CB-CE2 4.2Å; R193-Y215 PolarHBondContact NH1-OH 3.18Å; R193-Y215 VanDerWaalsContact NH1-OH 3.17Å; R193-Q220 VanDerWaalsContact CZ-NE2 3.28Å; R193-D224 IonicContact CZ-OD2 2.94Å; R193-D224 IonicContact NH1-OD1 3.76Å; R193-D224 IonicContact NH1-OD2 2.92Å; R193-D224 PolarHBondContact NH1-OD2 3.39Å
194	L	90.9	Very high	90.4	Very high	39 Å²	39	62.6 Å²	62.6	20%	0.204	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16	169.1	-73.8	164.7	0	0	0	113	I190 I192 R212 Y215	I190-L194 HydrophobicContact CG2-CD1 4.03Å; I190-L194 HydrophobicContact CG2-CG 4.49Å; I190-L194 WeakPolarHBondContact O-CD1 3.48Å; I190-L194 VanDerWaalsContact O-CG 3.27Å; I190-L194 WeakPolarHBondContact O-CG 3.39Å; I190-L194 PolarHBondContact O-N 2.84Å; I192-L194 PolarHBondContact O-N 3.44Å; L194-R212 HydrophobicContact CD2-CB 4.18Å; L194-R212 HydrophobicContact CD2-CG 3.72Å; L194-Y215 HydrophobicContact CD2-CD1 3.73Å; L194-Y215 HydrophobicContact CD2-CE1 4.31Å; L194-Y215 HydrophobicContact CG-CD1 3.93Å; L194-Y215 HydrophobicContact CG-CE1 4.14Å
195	R	88.8	Confident	90.1	Very high	105 Å²	105	58.7 Å²	58.7	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	2.2	-179.9	-60.5	-64.2	-177.1	168.5	-1.4	113.3	F131 V132 L133 F191 I192 R193	F131-R195 HydrophobicContact CD1-CB 4.39Å; F131-R195 HydrophobicContact CD1-CG 4.49Å; F131-R195 WeakPolarHBondContact O-CB 3.06Å; V132-R195 WeakPolarHBondContact CA-O 3.31Å; L133-R195 PolarHBondContact N-O 2.73Å; F191-R195 WeakPolarHBondContact O-CG 3.37Å; I192-R195 CarbonylContact O-C 3.58Å; I192-R195 VanDerWaalsContact O-C 3.31Å; I192-R195 WeakPolarHBondContact O-CA 3.32Å; I192-R195 WeakPolarHBondContact O-CB 3.48Å; I192-R195 PolarHBondContact O-N 3.46Å; R193-R195 PolarHBondContact O-N 3.28Å; R193-R195 VanDerWaalsContact O-N 3.08Å
196	T	89.6	Confident	89.6	Confident	24 Å²	24	63.6 Å²	63.6	15%	0.147	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-79.7	123.5	179.9	-59.5	0	0	0	0	110.4	P135 Y140 I192 R193 L211	P135-T196 HydrophobicContact CB-CG2 3.91Å; P135-T196 HydrophobicContact CG-CG2 4.43Å; Y140-T196 HydrophobicContact CE2-CG2 4.21Å; I192-T196 PolarHBondContact O-N 3.34Å; I192-T196 PolarHBondContact O-OG1 3.49Å; I192-T196 VanDerWaalsContact O-OG1 3.06Å; R193-T196 WeakPolarHBondContact CA-OG1 3.49Å; R193-T196 PolarHBondContact O-N 3.2Å; R193-T196 VanDerWaalsContact O-N 3.17Å; T196-L211 WeakPolarHBondContact O-CD2 3.36Å
197	G	87.3	Confident	89.3	Confident	5 Å²	5	67.1 Å²	67.1	5%	0.052	35%	0.345	C	S	.	.			trans	-58.3	149.3	176	0	0	0	0	0	113.1	L133 P135 L211	L133-G197 PolarHBondContact O-N 2.88Å; P135-G197 WeakPolarHBondContact CD-O 3.43Å; P135-G197 VanDerWaalsContact CG-O 3.3Å; P135-G197 WeakPolarHBondContact CG-O 3.39Å; G197-L211 VanDerWaalsContact CA-CD2 3.45Å
198	F	88.1	Confident	89	Confident	50 Å²	50	65.9 Å²	65.9	22%	0.219	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.6	165.4	68.1	-87.8	0	0	0	109.7	E200 V205 L211 N214	F198-E200 HydrophobicContact CD2-CB 4.47Å; F198-E200 HydrophobicContact CE2-CB 4.01Å; F198-V205 HydrophobicContact CD2-CG2 4.45Å; F198-V205 HydrophobicContact CE1-CB 4.22Å; F198-V205 HydrophobicContact CE1-CG1 4.25Å; F198-V205 HydrophobicContact CE2-CB 4.41Å; F198-V205 HydrophobicContact CE2-CG2 4Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.18Å; F198-V205 HydrophobicContact CZ-CG2 4.11Å; F198-V205 PolarHBondContact O-N 3.46Å; F198-L211 HydrophobicContact CD1-CD2 3.85Å; F198-L211 HydrophobicContact CE1-CD2 4.16Å; F198-N214 HydrophobicContact CD1-CB 4.35Å; F198-N214 HydrophobicContact CE1-CB 3.96Å; F198-N214 HydrophobicContact CZ-CB 4.4Å
199	L	88	Confident	88.8	Confident	122 Å²	122	70.9 Å²	70.9	64%	0.639	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.2	179.2	-74.7	158.5	0	0	0	109.7
200	E	87.1	Confident	88.6	Confident	87 Å²	87	75.7 Å²	75.7	41%	0.407	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	170.7	-167.4	175	-163.9	0	0	107.1	F198 G202 L203 V205 K210	F198-E200 HydrophobicContact CD2-CB 4.47Å; F198-E200 HydrophobicContact CE2-CB 4.01Å; E200-G202 PolarHBondContact O-N 3Å; E200-G202 VanDerWaalsContact O-N 3.13Å; E200-L203 PolarHBondContact N-O 2.93Å; E200-L203 PolarHBondContact O-N 3.22Å; E200-V205 HydrophobicContact CB-CG2 3.32Å; E200-V205 HydrophobicContact CG-CG2 4.4Å; E200-V205 WeakPolarHBondContact OE2-CG2 3.35Å; E200-K210 IonicContact OE2-NZ 2.82Å; E200-K210 PolarHBondContact OE2-NZ 3.09Å
201	Q	87.1	Confident	88.4	Confident	197 Å²	197	74.6 Å²	74.6	92%	0.921	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.4	-175.8	-57.4	178.4	-32.3	0	0	114.4	L203	Q201-L203 VanDerWaalsContact C-N 3.26Å; Q201-L203 PolarHBondContact O-N 2.82Å
202	G	82.8	Confident	88.4	Confident	63 Å²	63	73.6 Å²	73.6	65%	0.649	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-0.6	-178.7	0	0	0	0	0	114.9	E200	E200-G202 PolarHBondContact O-N 3Å; E200-G202 VanDerWaalsContact O-N 3.13Å
203	L	86.8	Confident	88.4	Confident	132 Å²	132	76 Å²	76	69%	0.691	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.3	173.5	-65.5	174.8	0	0	0	110.4	E200 Q201 V205	E200-L203 PolarHBondContact N-O 2.93Å; E200-L203 PolarHBondContact O-N 3.22Å; Q201-L203 VanDerWaalsContact C-N 3.26Å; Q201-L203 PolarHBondContact O-N 2.82Å; L203-V205 PolarHBondContact O-N 3.34Å
204	L	87.9	Confident	88.4	Confident	51 Å²	51	78.8 Å²	78.8	27%	0.267	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	111.6	176.1	-174.5	68.6	0	0	0	109.4	D134 K206	D134-L204 HydrophobicContact CB-CD2 4.14Å; L204-K206 PolarHBondContact O-N 2.89Å
205	V	88.9	Confident	88.4	Confident	18 Å²	18	77.4 Å²	77.4	11%	0.109	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.7	177.6	-179.5	0	0	0	0	109.4	F198 E200 L203 D207 K210	F198-V205 HydrophobicContact CD2-CG2 4.45Å; F198-V205 HydrophobicContact CE1-CB 4.22Å; F198-V205 HydrophobicContact CE1-CG1 4.25Å; F198-V205 HydrophobicContact CE2-CB 4.41Å; F198-V205 HydrophobicContact CE2-CG2 4Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.18Å; F198-V205 HydrophobicContact CZ-CG2 4.11Å; F198-V205 PolarHBondContact O-N 3.46Å; E200-V205 HydrophobicContact CB-CG2 3.32Å; E200-V205 HydrophobicContact CG-CG2 4.4Å; E200-V205 WeakPolarHBondContact OE2-CG2 3.35Å; L203-V205 PolarHBondContact O-N 3.34Å; V205-D207 HydrophobicContact CG1-CB 4.37Å; V205-K210 HydrophobicContact CG1-CB 4.18Å; V205-K210 HydrophobicContact CG1-CD 4.01Å
206	K	85.9	Confident	88.6	Confident	131 Å²	131	75.5 Å²	75.5	57%	0.57	38%	0.382	S	S	*	.			trans	-106	0.7	178.6	-60.8	-174.7	-179.1	-176.4	0	113.9	V132 L204 T208	V132-K206 HydrophobicContact CB-CB 4.44Å; V132-K206 HydrophobicContact CB-CG 4.43Å; V132-K206 HydrophobicContact CG1-CB 4.39Å; V132-K206 HydrophobicContact CG1-CG 4.2Å; V132-K206 HydrophobicContact CG2-CB 4.1Å; V132-K206 WeakPolarHBondContact CG2-O 3.23Å; L204-K206 PolarHBondContact O-N 2.89Å; K206-T208 PolarHBondContact O-N 3.36Å
207	D	88.3	Confident	88.7	Confident	74 Å²	74	82.1 Å²	82.1	40%	0.396	41%	0.411	S	S	.	.			trans	-75.1	113.3	179.8	-175.3	-4.2	0	0	0	112	V205 K209 K210 L211	V205-D207 HydrophobicContact CG1-CB 4.37Å; D207-K209 PolarHBondContact O-N 3.26Å; D207-K209 VanDerWaalsContact O-N 3.15Å; D207-K209 PolarHBondContact OD1-N 2.75Å; D207-K210 HydrophobicContact CB-CB 4.28Å; D207-K210 HydrophobicContact CB-CD 4.32Å; D207-K210 HydrophobicContact CB-CG 4.25Å; D207-K210 PolarHBondContact O-N 3.05Å; D207-K210 VanDerWaalsContact O-N 3.15Å; D207-L211 WeakPolarHBondContact O-CD1 3.23Å; D207-L211 WeakPolarHBondContact O-CG 3.26Å; D207-L211 PolarHBondContact O-N 3.31Å
208	T	87.2	Confident	88.9	Confident	47 Å²	47	84.4 Å²	84.4	29%	0.288	42%	0.424	S	S	.	.	H	α-helix	trans	-55.2	-31.3	-177.7	64.6	0	0	0	0	114.6	L130 K206 R212	L130-T208 HydrophobicContact CD2-CG2 4.27Å; K206-T208 PolarHBondContact O-N 3.36Å; T208-R212 WeakPolarHBondContact O-CB 3.33Å; T208-R212 PolarHBondContact O-N 3.25Å
209	K	89.3	Confident	89	Confident	138 Å²	138	87.8 Å²	87.8	60%	0.6	44%	0.444	S	S	*	.	H	α-helix	trans	-72.9	-49.3	178.2	-68.3	-177.8	-178.8	178.9	0	110.5	D207 L211 R212 D213	D207-K209 PolarHBondContact O-N 3.26Å; D207-K209 VanDerWaalsContact O-N 3.15Å; D207-K209 PolarHBondContact OD1-N 2.75Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.48Å; K209-R212 PolarHBondContact O-N 2.84Å; K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.07Å
210	K	89.6	Confident	89.1	Confident	100 Å²	100	83.8 Å²	83.8	44%	0.435	42%	0.422	S	S	.	.	H	α-helix	trans	-59.2	-41.4	176.2	-69.1	-171.6	171.2	-165.8	0	112.2	E200 V205 D207 D213 N214	E200-K210 IonicContact OE2-NZ 2.82Å; E200-K210 PolarHBondContact OE2-NZ 3.09Å; V205-K210 HydrophobicContact CG1-CB 4.18Å; V205-K210 HydrophobicContact CG1-CD 4.01Å; D207-K210 HydrophobicContact CB-CB 4.28Å; D207-K210 HydrophobicContact CB-CD 4.32Å; D207-K210 HydrophobicContact CB-CG 4.25Å; D207-K210 PolarHBondContact O-N 3.05Å; D207-K210 VanDerWaalsContact O-N 3.15Å; K210-D213 PolarHBondContact O-N 3.22Å; K210-N214 VanDerWaalsContact O-CB 3.27Å; K210-N214 WeakPolarHBondContact O-CB 3.38Å; K210-N214 PolarHBondContact O-N 3.22Å
211	L	90.2	Very high	89.4	Confident	2 Å²	2	81.9 Å²	81.9	1%	0.01	41%	0.413	C	S	.	.	H	α-helix	trans	-58.4	-52.5	177.6	-68.4	162.8	0	0	0	111.5	V132 T196 G197 F198 D207 K209 Y215	V132-L211 HydrophobicContact CG1-CD1 4.02Å; V132-L211 HydrophobicContact CG2-CD1 3.9Å; T196-L211 WeakPolarHBondContact O-CD2 3.36Å; G197-L211 VanDerWaalsContact CA-CD2 3.45Å; F198-L211 HydrophobicContact CD1-CD2 3.85Å; F198-L211 HydrophobicContact CE1-CD2 4.16Å; D207-L211 WeakPolarHBondContact O-CD1 3.23Å; D207-L211 WeakPolarHBondContact O-CG 3.26Å; D207-L211 PolarHBondContact O-N 3.31Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.48Å; L211-Y215 WeakPolarHBondContact O-CB 3.37Å; L211-Y215 PolarHBondContact O-N 3.25Å
212	R	90.4	Very high	89.7	Confident	115 Å²	115	79 Å²	79	43%	0.434	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-48.9	178.1	175.5	-169.7	70	-167	-1.6	111.7	L194 T208 K209 N214 Y215 I216	L194-R212 HydrophobicContact CD2-CB 4.18Å; L194-R212 HydrophobicContact CD2-CG 3.72Å; T208-R212 WeakPolarHBondContact O-CB 3.33Å; T208-R212 PolarHBondContact O-N 3.25Å; K209-R212 PolarHBondContact O-N 2.84Å; R212-N214 VanDerWaalsContact C-N 3.32Å; R212-N214 PolarHBondContact O-N 3.38Å; R212-Y215 PolarHBondContact O-N 3.27Å; R212-Y215 VanDerWaalsContact O-N 3.15Å; R212-I216 HydrophobicContact CG-CD1 3.52Å; R212-I216 HydrophobicContact CG-CG1 4.14Å; R212-I216 WeakPolarHBondContact O-CG1 3.22Å; R212-I216 PolarHBondContact O-N 3.5Å
213	D	91.4	Very high	90.1	Very high	72 Å²	72	77.9 Å²	77.9	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-40.2	-173.5	-61.7	-11.2	0	0	0	110	K209 K210 Y215 H217	K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.07Å; K210-D213 PolarHBondContact O-N 3.22Å; D213-Y215 PolarHBondContact O-N 2.98Å; D213-H217 PolarHBondContact O-CD2 3.24Å; D213-H217 PolarHBondContact O-N 3.04Å
214	N	90.1	Very high	90.4	Very high	82 Å²	82	71.6 Å²	71.6	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-45	171.8	-175.6	60.1	0	0	0	112.4	F198 K210 R212 T218	F198-N214 HydrophobicContact CD1-CB 4.35Å; F198-N214 HydrophobicContact CE1-CB 3.96Å; F198-N214 HydrophobicContact CZ-CB 4.4Å; K210-N214 VanDerWaalsContact O-CB 3.27Å; K210-N214 WeakPolarHBondContact O-CB 3.38Å; K210-N214 PolarHBondContact O-N 3.22Å; R212-N214 VanDerWaalsContact C-N 3.32Å; R212-N214 PolarHBondContact O-N 3.38Å; N214-T218 PolarHBondContact O-OG1 3.25Å; N214-T218 VanDerWaalsContact O-OG1 3.05Å
215	Y	91	Very high	90.7	Very high	11 Å²	11	72.2 Å²	72.2	4%	0.043	35%	0.349	C	S	.	.	H	α-helix	trans	-67.1	-45.1	-178.7	178.9	-132.8	0	0	0	112.9	I190 R193 L194 L211 R212 D213 H217 T218 F221 D224	I190-Y215 HydrophobicContact CG2-CE1 4.45Å; R193-Y215 HydrophobicContact CB-CD1 4.31Å; R193-Y215 HydrophobicContact CB-CE1 3.82Å; R193-Y215 HydrophobicContact CB-CE2 4.2Å; R193-Y215 PolarHBondContact NH1-OH 3.18Å; R193-Y215 VanDerWaalsContact NH1-OH 3.17Å; L194-Y215 HydrophobicContact CD2-CD1 3.73Å; L194-Y215 HydrophobicContact CD2-CE1 4.31Å; L194-Y215 HydrophobicContact CG-CD1 3.93Å; L194-Y215 HydrophobicContact CG-CE1 4.14Å; L211-Y215 WeakPolarHBondContact O-CB 3.37Å; L211-Y215 PolarHBondContact O-N 3.25Å; R212-Y215 PolarHBondContact O-N 3.27Å; R212-Y215 VanDerWaalsContact O-N 3.15Å; D213-Y215 PolarHBondContact O-N 2.98Å; Y215-H217 PolarHBondContact O-N 3.22Å; Y215-T218 VanDerWaalsContact O-CB 3.29Å; Y215-T218 WeakPolarHBondContact O-CB 3.34Å; Y215-T218 PolarHBondContact O-N 3.11Å; Y215-T218 PolarHBondContact O-OG1 3.49Å; Y215-F221 AromaticContact CD1-CD2 3.96Å; Y215-F221 HydrophobicContact CD1-CD2 3.96Å; Y215-F221 HydrophobicContact CD2-CB 4.22Å; Y215-F221 HydrophobicContact CE1-CB 4.35Å; Y215-F221 AromaticContact CE1-CD2 3.46Å; Y215-F221 HydrophobicContact CE1-CD2 3.46Å; Y215-F221 VanDerWaalsContact CE1-CD2 3.46Å; Y215-F221 HydrophobicContact CE1-CE2 4.21Å; Y215-F221 HydrophobicContact CE1-CG 4.34Å; Y215-F221 HydrophobicContact CE2-CB 3.81Å; Y215-F221 HydrophobicContact CE2-CD2 4.43Å; Y215-F221 AromaticContact CZ-CD2 3.71Å; Y215-F221 VanDerWaalsContact O-CB 3.26Å; Y215-F221 WeakPolarHBondContact O-CB 3.21Å; Y215-D224 PolarHBondContact OH-OD2 3.37Å
216	I	93.4	Very high	90.9	Very high	64 Å²	64	72.9 Å²	72.9	33%	0.328	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-32.6	-177.9	-71.7	175.2	0	0	0	112.5	R212 T218 F221	R212-I216 HydrophobicContact CG-CD1 3.52Å; R212-I216 HydrophobicContact CG-CG1 4.14Å; R212-I216 WeakPolarHBondContact O-CG1 3.22Å; R212-I216 PolarHBondContact O-N 3.5Å; I216-T218 VanDerWaalsContact C-N 3.29Å; I216-T218 PolarHBondContact O-N 3.34Å; I216-F221 HydrophobicContact CB-CD1 4.27Å; I216-F221 HydrophobicContact CB-CE1 4.33Å; I216-F221 HydrophobicContact CG1-CD1 4.33Å; I216-F221 HydrophobicContact CG1-CE1 4.08Å; I216-F221 HydrophobicContact CG1-CE2 4.3Å; I216-F221 HydrophobicContact CG1-CZ 4.05Å; I216-F221 HydrophobicContact CG2-CD1 4.19Å; I216-F221 HydrophobicContact CG2-CE1 4.04Å; I216-F221 WeakPolarHBondContact O-CD1 3.09Å
217	H	91.8	Very high	91.2	Very high	163 Å²	163	66.7 Å²	66.7	76%	0.755	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.3	178	-74.8	-63.6	0	0	0	113.9	D213 Y215	D213-H217 PolarHBondContact O-CD2 3.24Å; D213-H217 PolarHBondContact O-N 3.04Å; Y215-H217 PolarHBondContact O-N 3.22Å
218	T	91.8	Very high	91.3	Very high	53 Å²	53	64.7 Å²	64.7	33%	0.325	32%	0.316	S	S	.	.	S	Bend	trans	-78	142.1	-178.7	-55.7	0	0	0	0	110.9	N214 Y215 I216 Q220 F221	N214-T218 PolarHBondContact O-OG1 3.25Å; N214-T218 VanDerWaalsContact O-OG1 3.05Å; Y215-T218 VanDerWaalsContact O-CB 3.29Å; Y215-T218 WeakPolarHBondContact O-CB 3.34Å; Y215-T218 PolarHBondContact O-N 3.11Å; Y215-T218 PolarHBondContact O-OG1 3.49Å; I216-T218 VanDerWaalsContact C-N 3.29Å; I216-T218 PolarHBondContact O-N 3.34Å; T218-Q220 HydrophobicContact CG2-CB 3.92Å; T218-Q220 PolarHBondContact O-N 3.13Å; T218-Q220 VanDerWaalsContact O-N 3.16Å; T218-F221 PolarHBondContact O-N 3.41Å; T218-F221 VanDerWaalsContact O-N 3.08Å
219	L	90.6	Very high	91.5	Very high	122 Å²	122	66.7 Å²	66.7	64%	0.639	32%	0.324	S	S	*	.	H	α-helix	trans	-54	-35.5	175	-172	97.2	0	0	0	111.8	F221 K222 L223	L219-F221 VanDerWaalsContact C-N 3.3Å; L219-F221 PolarHBondContact O-N 3.21Å; L219-K222 WeakPolarHBondContact O-CB 3.32Å; L219-K222 PolarHBondContact O-N 2.91Å; L219-L223 HydrophobicContact CD2-CD1 4.05Å; L219-L223 PolarHBondContact O-N 3.24Å; L219-L223 VanDerWaalsContact O-N 3.08Å
220	Q	89.9	Confident	91.5	Very high	38 Å²	38	63.8 Å²	63.8	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-36.4	179.8	-149	176.8	-12.5	0	0	112.6	R193 T218 K222 L223 D224 A254	R193-Q220 VanDerWaalsContact CZ-NE2 3.28Å; T218-Q220 HydrophobicContact CG2-CB 3.92Å; T218-Q220 PolarHBondContact O-N 3.13Å; T218-Q220 VanDerWaalsContact O-N 3.16Å; Q220-K222 VanDerWaalsContact C-N 3.3Å; Q220-K222 PolarHBondContact O-N 3.22Å; Q220-L223 PolarHBondContact O-N 3.43Å; Q220-D224 WeakPolarHBondContact O-CB 3.43Å; Q220-D224 PolarHBondContact O-N 3.41Å; Q220-D224 VanDerWaalsContact O-OD1 3.12Å; Q220-A254 HydrophobicContact CG-CB 4.13Å
221	F	92.5	Very high	91.5	Very high	47 Å²	47	60.4 Å²	60.4	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-38.8	173.8	175.1	-105.8	0	0	0	111.7	Y215 I216 T218 L219 D224 V225	Y215-F221 AromaticContact CD1-CD2 3.96Å; Y215-F221 HydrophobicContact CD1-CD2 3.96Å; Y215-F221 HydrophobicContact CD2-CB 4.22Å; Y215-F221 HydrophobicContact CE1-CB 4.35Å; Y215-F221 AromaticContact CE1-CD2 3.46Å; Y215-F221 HydrophobicContact CE1-CD2 3.46Å; Y215-F221 VanDerWaalsContact CE1-CD2 3.46Å; Y215-F221 HydrophobicContact CE1-CE2 4.21Å; Y215-F221 HydrophobicContact CE1-CG 4.34Å; Y215-F221 HydrophobicContact CE2-CB 3.81Å; Y215-F221 HydrophobicContact CE2-CD2 4.43Å; Y215-F221 AromaticContact CZ-CD2 3.71Å; Y215-F221 VanDerWaalsContact O-CB 3.26Å; Y215-F221 WeakPolarHBondContact O-CB 3.21Å; I216-F221 HydrophobicContact CB-CD1 4.27Å; I216-F221 HydrophobicContact CB-CE1 4.33Å; I216-F221 HydrophobicContact CG1-CD1 4.33Å; I216-F221 HydrophobicContact CG1-CE1 4.08Å; I216-F221 HydrophobicContact CG1-CE2 4.3Å; I216-F221 HydrophobicContact CG1-CZ 4.05Å; I216-F221 HydrophobicContact CG2-CD1 4.19Å; I216-F221 HydrophobicContact CG2-CE1 4.04Å; I216-F221 WeakPolarHBondContact O-CD1 3.09Å; T218-F221 PolarHBondContact O-N 3.41Å; T218-F221 VanDerWaalsContact O-N 3.08Å; L219-F221 VanDerWaalsContact C-N 3.3Å; L219-F221 PolarHBondContact O-N 3.21Å; F221-D224 PolarHBondContact O-N 3.46Å; F221-V225 HydrophobicContact CD1-CG2 4.35Å; F221-V225 HydrophobicContact CD2-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.92Å; F221-V225 HydrophobicContact CE2-CG2 3.63Å; F221-V225 HydrophobicContact CG-CG2 4.43Å; F221-V225 HydrophobicContact CZ-CG2 3.55Å; F221-V225 WeakPolarHBondContact O-CB 3.26Å; F221-V225 VanDerWaalsContact O-CG2 3.31Å; F221-V225 WeakPolarHBondContact O-CG2 3.48Å; F221-V225 PolarHBondContact O-N 3.44Å
222	K	93.2	Very high	91.2	Very high	135 Å²	135	60.9 Å²	60.9	59%	0.587	31%	0.31	S	S	*	.	H	α-helix	trans	-64.7	-40.3	177	-59.9	179.1	-179.8	177.3	0	111.7	L219 Q220 S226	L219-K222 WeakPolarHBondContact O-CB 3.32Å; L219-K222 PolarHBondContact O-N 2.91Å; Q220-K222 VanDerWaalsContact C-N 3.3Å; Q220-K222 PolarHBondContact O-N 3.22Å; K222-S226 WeakPolarHBondContact O-CB 3.47Å; K222-S226 PolarHBondContact O-N 3.32Å; K222-S226 PolarHBondContact O-OG 3.04Å; K222-S226 VanDerWaalsContact O-OG 3.13Å
223	L	93	Very high	91	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-67.6	-41.2	175.2	-66.3	176.6	0	0	0	112	L219 Q220 S226 S227	L219-L223 HydrophobicContact CD2-CD1 4.05Å; L219-L223 PolarHBondContact O-N 3.24Å; L219-L223 VanDerWaalsContact O-N 3.08Å; Q220-L223 PolarHBondContact O-N 3.43Å; L223-S226 WeakPolarHBondContact CA-OG 3.37Å; L223-S226 PolarHBondContact O-N 2.75Å; L223-S226 PolarHBondContact O-OG 3.42Å; L223-S227 VanDerWaalsContact O-CB 3.31Å; L223-S227 WeakPolarHBondContact O-CB 3.36Å; L223-S227 PolarHBondContact O-N 3.03Å; L223-S227 PolarHBondContact O-OG 3.13Å
224	D	92.5	Very high	90.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-44.5	179.5	-69.3	5.2	0	0	0	110.7	I190 R193 Y215 Q220 F221 S227 I228 H252	I190-D224 HydrophobicContact CD1-CB 3.91Å; I190-D224 HydrophobicContact CG1-CB 4Å; R193-D224 IonicContact CZ-OD2 2.94Å; R193-D224 IonicContact NH1-OD1 3.76Å; R193-D224 IonicContact NH1-OD2 2.92Å; R193-D224 PolarHBondContact NH1-OD2 3.39Å; Y215-D224 PolarHBondContact OH-OD2 3.37Å; Q220-D224 WeakPolarHBondContact O-CB 3.43Å; Q220-D224 PolarHBondContact O-N 3.41Å; Q220-D224 VanDerWaalsContact O-OD1 3.12Å; F221-D224 PolarHBondContact O-N 3.46Å; D224-S227 PolarHBondContact O-N 3.44Å; D224-S227 PolarHBondContact O-OG 3.45Å; D224-I228 PolarHBondContact O-N 2.83Å; D224-H252 IonicContact OD1-CE1 3.87Å; D224-H252 IonicContact OD1-ND1 3.87Å
225	V	93.1	Very high	90.8	Very high	65 Å²	65	58.4 Å²	58.4	39%	0.394	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-44.5	175.8	172.4	0	0	0	0	111.4	F221 S227 I228 I229	F221-V225 HydrophobicContact CD1-CG2 4.35Å; F221-V225 HydrophobicContact CD2-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.92Å; F221-V225 HydrophobicContact CE2-CG2 3.63Å; F221-V225 HydrophobicContact CG-CG2 4.43Å; F221-V225 HydrophobicContact CZ-CG2 3.55Å; F221-V225 WeakPolarHBondContact O-CB 3.26Å; F221-V225 VanDerWaalsContact O-CG2 3.31Å; F221-V225 WeakPolarHBondContact O-CG2 3.48Å; F221-V225 PolarHBondContact O-N 3.44Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 3.34Å; V225-I228 PolarHBondContact O-N 2.81Å; V225-I229 WeakPolarHBondContact O-CG1 3.25Å; V225-I229 PolarHBondContact O-N 2.91Å
226	S	93.1	Very high	90.4	Very high	32 Å²	32	66.8 Å²	66.8	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-33	178.7	65.2	0	0	0	0	112.2	K222 L223 I228 N248 L251	K222-S226 WeakPolarHBondContact O-CB 3.47Å; K222-S226 PolarHBondContact O-N 3.32Å; K222-S226 PolarHBondContact O-OG 3.04Å; K222-S226 VanDerWaalsContact O-OG 3.13Å; L223-S226 WeakPolarHBondContact CA-OG 3.37Å; L223-S226 PolarHBondContact O-N 2.75Å; L223-S226 PolarHBondContact O-OG 3.42Å; S226-I228 VanDerWaalsContact C-N 3.28Å; S226-I228 PolarHBondContact O-N 2.91Å; S226-N248 PolarHBondContact O-ND2 3.27Å; S226-L251 VanDerWaalsContact OG-CD1 3.29Å; S226-L251 WeakPolarHBondContact OG-CD1 3.14Å
227	S	92.4	Very high	90.1	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-21.9	177.4	74.9	0	0	0	0	114.8	L223 D224 V225 N248 R249 H252	L223-S227 VanDerWaalsContact O-CB 3.31Å; L223-S227 WeakPolarHBondContact O-CB 3.36Å; L223-S227 PolarHBondContact O-N 3.03Å; L223-S227 PolarHBondContact O-OG 3.13Å; D224-S227 PolarHBondContact O-N 3.44Å; D224-S227 PolarHBondContact O-OG 3.45Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 3.34Å; S227-N248 WeakPolarHBondContact CA-O 3.3Å; S227-N248 PolarHBondContact O-ND2 3.4Å; S227-R249 VanDerWaalsContact O-CD 3.23Å; S227-R249 WeakPolarHBondContact O-CD 3.24Å; S227-R249 PolarHBondContact O-NE 3.13Å; S227-H252 PolarHBondContact OG-ND1 2.91Å
228	I	91.2	Very high	89.7	Confident	32 Å²	32	64.5 Å²	64.5	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-104.8	-3.8	-176.1	-63.2	178.2	0	0	0	112.5	I187 I190 D224 V225 S226 P230	I187-I228 HydrophobicContact CD1-CG2 4.26Å; I187-I228 HydrophobicContact CG1-CD1 4.03Å; I187-I228 HydrophobicContact CG1-CG2 3.76Å; I190-I228 HydrophobicContact CD1-CD1 3.38Å; I190-I228 HydrophobicContact CD1-CG1 4.49Å; I190-I228 HydrophobicContact CG1-CD1 4Å; D224-I228 PolarHBondContact O-N 2.83Å; V225-I228 PolarHBondContact O-N 2.81Å; S226-I228 VanDerWaalsContact C-N 3.28Å; S226-I228 PolarHBondContact O-N 2.91Å; I228-P230 VanDerWaalsContact O-N 3.13Å
229	I	92.3	Very high	89.3	Confident	89 Å²	89	63.4 Å²	63.4	46%	0.456	35%	0.349	S	S	.	.			trans	-51.3	125.9	175.8	-64.3	176.2	0	0	0	108.8	V225 T231 N248 R249	V225-I229 WeakPolarHBondContact O-CG1 3.25Å; V225-I229 PolarHBondContact O-N 2.91Å; I229-T231 HydrophobicContact CB-CG2 4.49Å; I229-T231 HydrophobicContact CG2-CG2 3.99Å; I229-T231 PolarHBondContact O-N 2.78Å; I229-N248 PolarHBondContact O-ND2 3.15Å; I229-R249 PolarHBondContact O-NH1 2.6Å
230	P	88.3	Confident	88.8	Confident	77 Å²	77	61.7 Å²	61.7	50%	0.5	34%	0.339	S	S	.	.			trans	-77.6	64	-173.7	33	-37.4	0	0	0	110.7	I228 D232 L233	I228-P230 VanDerWaalsContact O-N 3.13Å; P230-D232 PolarHBondContact O-N 2.9Å; P230-D232 VanDerWaalsContact O-N 3.12Å; P230-L233 HydrophobicContact CB-CD1 4.39Å; P230-L233 HydrophobicContact CB-CG 4.39Å; P230-L233 HydrophobicContact CG-CD1 4.24Å; P230-L233 WeakPolarHBondContact O-CG 3.39Å; P230-L233 PolarHBondContact O-N 3.11Å
231	T	89.3	Confident	88.5	Confident	30 Å²	30	65 Å²	65	18%	0.184	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-62.7	-14.7	174.8	54.6	0	0	0	0	112	I229 L233 I234 V245 N248 R249	I229-T231 HydrophobicContact CB-CG2 4.49Å; I229-T231 HydrophobicContact CG2-CG2 3.99Å; I229-T231 PolarHBondContact O-N 2.78Å; T231-L233 PolarHBondContact O-N 3.19Å; T231-L233 VanDerWaalsContact O-N 3.17Å; T231-I234 WeakPolarHBondContact O-CB 3.4Å; T231-I234 WeakPolarHBondContact O-CG1 3.32Å; T231-I234 PolarHBondContact O-N 2.86Å; T231-V245 WeakPolarHBondContact CB-O 3.2Å; T231-V245 PolarHBondContact OG1-O 3.02Å; T231-N248 PolarHBondContact OG1-OD1 3.01Å; T231-N248 VanDerWaalsContact OG1-OD1 3.04Å; T231-R249 PolarHBondContact OG1-NH1 3.41Å
232	D	84.9	Confident	88.3	Confident	11 Å²	11	64.4 Å²	64.4	6%	0.059	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.3	-23.7	173.8	-53.2	0.3	0	0	0	112.6	P230 I234 Y235 R246 R249	P230-D232 PolarHBondContact O-N 2.9Å; P230-D232 VanDerWaalsContact O-N 3.12Å; D232-I234 PolarHBondContact O-N 2.76Å; D232-I234 VanDerWaalsContact O-N 3.12Å; D232-Y235 HydrophobicContact CB-CD2 3.8Å; D232-Y235 HydrophobicContact CB-CE2 3.75Å; D232-Y235 WeakPolarHBondContact O-CB 2.96Å; D232-Y235 WeakPolarHBondContact O-CD2 3.4Å; D232-Y235 VanDerWaalsContact O-CG 3.25Å; D232-Y235 PolarHBondContact O-N 3.49Å; D232-R246 WeakPolarHBondContact OD1-CG 3.49Å; D232-R246 IonicContact OD1-CZ 3.85Å; D232-R246 IonicContact OD1-NE 3.66Å; D232-R246 PolarHBondContact OD1-NE 3.34Å; D232-R246 IonicContact OD2-CZ 2.72Å; D232-R246 IonicContact OD2-NE 3.38Å; D232-R246 PolarHBondContact OD2-NE 2.9Å; D232-R246 IonicContact OD2-NH2 3.39Å; D232-R246 PolarHBondContact OD2-NH2 3.48Å; D232-R249 IonicContact OD1-CZ 2.88Å; D232-R249 VanDerWaalsContact OD1-CZ 3.23Å; D232-R249 IonicContact OD1-NH1 3.52Å; D232-R249 PolarHBondContact OD1-NH1 2.83Å; D232-R249 IonicContact OD1-NH2 2.75Å; D232-R249 PolarHBondContact OD1-NH2 3.03Å; D232-R249 IonicContact OD2-CZ 2.74Å; D232-R249 IonicContact OD2-NH2 2.62Å; D232-R249 PolarHBondContact OD2-NH2 2.92Å
233	L	86	Confident	88	Confident	113 Å²	113	58.1 Å²	58.1	59%	0.592	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-60	-21.3	172.9	-62.6	176.4	0	0	0	111.8	P230 T231 Y235 F236	P230-L233 HydrophobicContact CB-CD1 4.39Å; P230-L233 HydrophobicContact CB-CG 4.39Å; P230-L233 HydrophobicContact CG-CD1 4.24Å; P230-L233 WeakPolarHBondContact O-CG 3.39Å; P230-L233 PolarHBondContact O-N 3.11Å; T231-L233 PolarHBondContact O-N 3.19Å; T231-L233 VanDerWaalsContact O-N 3.17Å; L233-Y235 PolarHBondContact O-N 3.01Å; L233-F236 HydrophobicContact CD2-CE2 4.06Å; L233-F236 VanDerWaalsContact O-CD2 3.24Å; L233-F236 WeakPolarHBondContact O-CD2 3.32Å; L233-F236 PolarHBondContact O-N 3.11Å
234	I	89.5	Confident	87.8	Confident	81 Å²	81	61.8 Å²	61.8	42%	0.415	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.9	174.1	-58.7	169.6	0	0	0	111.5	T231 D232 F236 A237 V238 V245	T231-I234 WeakPolarHBondContact O-CB 3.4Å; T231-I234 WeakPolarHBondContact O-CG1 3.32Å; T231-I234 PolarHBondContact O-N 2.86Å; D232-I234 PolarHBondContact O-N 2.76Å; D232-I234 VanDerWaalsContact O-N 3.12Å; I234-F236 PolarHBondContact O-N 2.92Å; I234-F236 VanDerWaalsContact O-N 3.14Å; I234-A237 PolarHBondContact O-N 3.18Å; I234-V238 HydrophobicContact CG2-CB 4.47Å; I234-V238 HydrophobicContact CG2-CG2 3.65Å; I234-V238 PolarHBondContact O-N 3.4Å; I234-V245 HydrophobicContact CB-CG1 4.3Å; I234-V245 HydrophobicContact CG2-CG1 4.05Å
235	Y	86.3	Confident	87.7	Confident	23 Å²	23	63.2 Å²	63.2	9%	0.09	35%	0.354	C	S	.	.	H	α-helix	trans	-57.4	-27.8	172.5	-69.7	-45.9	0	0	0	113.1	D232 L233 A237 G239 S242 V245 R246	D232-Y235 HydrophobicContact CB-CD2 3.8Å; D232-Y235 HydrophobicContact CB-CE2 3.75Å; D232-Y235 WeakPolarHBondContact O-CB 2.96Å; D232-Y235 WeakPolarHBondContact O-CD2 3.4Å; D232-Y235 VanDerWaalsContact O-CG 3.25Å; D232-Y235 PolarHBondContact O-N 3.49Å; L233-Y235 PolarHBondContact O-N 3.01Å; Y235-A237 PolarHBondContact O-N 2.96Å; Y235-G239 WeakPolarHBondContact CD1-O 3.38Å; Y235-G239 CarbonylContact O-C 3.57Å; Y235-G239 VanDerWaalsContact O-CA 3.25Å; Y235-G239 WeakPolarHBondContact O-CA 3.28Å; Y235-G239 PolarHBondContact O-N 3.46Å; Y235-S242 VanDerWaalsContact CE1-O 3.29Å; Y235-S242 WeakPolarHBondContact CE1-O 3.4Å; Y235-V245 HydrophobicContact CD1-CG2 3.81Å; Y235-V245 HydrophobicContact CE1-CG2 3.29Å; Y235-V245 HydrophobicContact CE2-CG2 4.19Å; Y235-V245 HydrophobicContact CG-CG2 4.47Å; Y235-V245 VanDerWaalsContact CZ-CG2 3.48Å; Y235-R246 VanDerWaalsContact OH-CD 3.31Å; Y235-R246 WeakPolarHBondContact OH-CD 3.12Å; Y235-R246 PolarHBondContact OH-NH1 3.38Å; Y235-R246 VanDerWaalsContact OH-NH1 3.1Å
236	F	84.5	Confident	87.7	Confident	188 Å²	188	60.5 Å²	60.5	83%	0.825	34%	0.337	S	S	*	.	H	α-helix	trans	-65.9	-23.7	175.2	-66.7	-64	0	0	0	113	L233 I234	L233-F236 HydrophobicContact CD2-CE2 4.06Å; L233-F236 VanDerWaalsContact O-CD2 3.24Å; L233-F236 WeakPolarHBondContact O-CD2 3.32Å; L233-F236 PolarHBondContact O-N 3.11Å; I234-F236 PolarHBondContact O-N 2.92Å; I234-F236 VanDerWaalsContact O-N 3.14Å
237	A	86.1	Confident	87.7	Confident	92 Å²	92	63 Å²	63	76%	0.76	34%	0.344	S	S	*	.	H	α-helix	trans	-99	-41.2	179.1	0	0	0	0	0	113	I234 Y235	I234-A237 PolarHBondContact O-N 3.18Å; Y235-A237 PolarHBondContact O-N 2.96Å
238	V	83.8	Confident	87.7	Confident	86 Å²	86	64.3 Å²	64.3	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-99.6	-17	-171	-174.4	0	0	0	0	112.5	I234	I234-V238 HydrophobicContact CG2-CB 4.47Å; I234-V238 HydrophobicContact CG2-CG2 3.65Å; I234-V238 PolarHBondContact O-N 3.4Å
239	G	82.7	Confident	87.8	Confident	31 Å²	31	63 Å²	63	32%	0.32	34%	0.343	S	S	.	.			trans	95.1	155.2	-176.9	0	0	0	0	0	113.3	Y235 H241 S242	Y235-G239 WeakPolarHBondContact CD1-O 3.38Å; Y235-G239 CarbonylContact O-C 3.57Å; Y235-G239 VanDerWaalsContact O-CA 3.25Å; Y235-G239 WeakPolarHBondContact O-CA 3.28Å; Y235-G239 PolarHBondContact O-N 3.46Å; G239-H241 PolarHBondContact O-N 3.39Å; G239-S242 PolarHBondContact O-N 3.03Å
240	I	81.3	Confident	87.8	Confident	86 Å²	86	59.7 Å²	59.7	44%	0.441	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.7	-172.8	-61.8	168.4	0	0	0	112.7	Q168 S242	Q168-I240 PolarHBondContact NE2-O 2.92Å; I240-S242 VanDerWaalsContact C-N 3.32Å; I240-S242 PolarHBondContact O-N 3.06Å
241	H	83.5	Confident	88.1	Confident	106 Å²	106	59.1 Å²	59.1	49%	0.491	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.5	-176.4	-59.5	-63	0	0	0	114.5	G239 P243	G239-H241 PolarHBondContact O-N 3.39Å; H241-P243 WeakPolarHBondContact O-CD 3.23Å
242	S	86.6	Confident	88.2	Confident	35 Å²	35	57.7 Å²	57.7	25%	0.245	31%	0.311	C	S	.	.			trans	-109.7	79.2	-177.9	-61.7	0	0	0	0	112.3	Y235 G239 I240 E244	Y235-S242 VanDerWaalsContact CE1-O 3.29Å; Y235-S242 WeakPolarHBondContact CE1-O 3.4Å; G239-S242 PolarHBondContact O-N 3.03Å; I240-S242 VanDerWaalsContact C-N 3.32Å; I240-S242 PolarHBondContact O-N 3.06Å; S242-E244 PolarHBondContact O-N 3.21Å; S242-E244 VanDerWaalsContact O-N 3.15Å
243	P	87.6	Confident	88.4	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.026	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-67	-15.6	-174.2	29.3	-35.9	0	0	0	113.9	L158 R161 A162 Q168 H241 V245 R246	L158-P243 HydrophobicContact CD1-CB 4.47Å; R161-P243 HydrophobicContact CB-CB 4.33Å; R161-P243 HydrophobicContact CB-CG 4.13Å; R161-P243 WeakPolarHBondContact O-CG 3.35Å; A162-P243 HydrophobicContact CB-CG 4.34Å; Q168-P243 HydrophobicContact CG-CG 4.24Å; H241-P243 WeakPolarHBondContact O-CD 3.23Å; P243-V245 PolarHBondContact O-N 2.97Å; P243-V245 VanDerWaalsContact O-N 3.11Å; P243-R246 WeakPolarHBondContact O-CB 3.46Å; P243-R246 PolarHBondContact O-N 3.47Å
244	E	89.9	Confident	88.6	Confident	117 Å²	117	56.2 Å²	56.2	55%	0.547	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-53	-30.8	177.9	-63.8	167.1	-145.3	0	0	113.7	A162 S242 R246 F247	A162-E244 HydrophobicContact CB-CG 3.89Å; S242-E244 PolarHBondContact O-N 3.21Å; S242-E244 VanDerWaalsContact O-N 3.15Å; E244-R246 PolarHBondContact O-N 2.97Å; E244-F247 HydrophobicContact CB-CZ 4.5Å; E244-F247 HydrophobicContact CG-CZ 4.28Å; E244-F247 WeakPolarHBondContact O-CG 3.37Å; E244-F247 PolarHBondContact O-N 2.99Å; E244-F247 VanDerWaalsContact O-N 3.12Å
245	V	90.4	Very high	88.6	Confident	30 Å²	30	52.4 Å²	52.4	18%	0.182	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.5	178.5	-55.9	0	0	0	0	112.8	T231 I234 Y235 P243	T231-V245 WeakPolarHBondContact CB-O 3.2Å; T231-V245 PolarHBondContact OG1-O 3.02Å; I234-V245 HydrophobicContact CB-CG1 4.3Å; I234-V245 HydrophobicContact CG2-CG1 4.05Å; Y235-V245 HydrophobicContact CD1-CG2 3.81Å; Y235-V245 HydrophobicContact CE1-CG2 3.29Å; Y235-V245 HydrophobicContact CE2-CG2 4.19Å; Y235-V245 HydrophobicContact CG-CG2 4.47Å; Y235-V245 VanDerWaalsContact CZ-CG2 3.48Å; P243-V245 PolarHBondContact O-N 2.97Å; P243-V245 VanDerWaalsContact O-N 3.11Å
246	R	91.7	Very high	88.9	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-91.8	4.2	-179	-75.4	-172.6	161	145	-19.1	115	L158 D179 Y180 D232 Y235 P243 E244 N248 R249	L158-R246 HydrophobicContact CD1-CB 3.82Å; L158-R246 HydrophobicContact CD2-CB 4.16Å; L158-R246 WeakPolarHBondContact CD2-O 3.37Å; D179-R246 IonicContact OD2-CZ 2.76Å; D179-R246 IonicContact OD2-NH1 3.56Å; D179-R246 PolarHBondContact OD2-NH1 3.25Å; Y180-R246 VanDerWaalsContact CE1-NH2 3.31Å; Y180-R246 PolarHBondContact OH-NH2 3.4Å; D232-R246 WeakPolarHBondContact OD1-CG 3.49Å; D232-R246 IonicContact OD1-CZ 3.85Å; D232-R246 IonicContact OD1-NE 3.66Å; D232-R246 PolarHBondContact OD1-NE 3.34Å; D232-R246 IonicContact OD2-CZ 2.72Å; D232-R246 IonicContact OD2-NE 3.38Å; D232-R246 PolarHBondContact OD2-NE 2.9Å; D232-R246 IonicContact OD2-NH2 3.39Å; D232-R246 PolarHBondContact OD2-NH2 3.48Å; Y235-R246 VanDerWaalsContact OH-CD 3.31Å; Y235-R246 WeakPolarHBondContact OH-CD 3.12Å; Y235-R246 PolarHBondContact OH-NH1 3.38Å; Y235-R246 VanDerWaalsContact OH-NH1 3.1Å; P243-R246 WeakPolarHBondContact O-CB 3.46Å; P243-R246 PolarHBondContact O-N 3.47Å; E244-R246 PolarHBondContact O-N 2.97Å; R246-N248 VanDerWaalsContact C-OD1 3.31Å; R246-N248 PolarHBondContact O-N 3.24Å; R246-N248 PolarHBondContact O-OD1 2.92Å; R246-R249 WeakPolarHBondContact O-CB 2.9Å; R246-R249 WeakPolarHBondContact O-CD 3.1Å; R246-R249 PolarHBondContact O-N 3.12Å
247	F	92.9	Very high	89.2	Confident	86 Å²	86	48 Å²	48	38%	0.377	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.9	-18.2	-178	-77.6	-0.4	0	0	0	114.6	L158 A162 E244 R249 L250	L158-F247 HydrophobicContact CD2-CD1 3.81Å; L158-F247 HydrophobicContact CD2-CE1 4.44Å; L158-F247 HydrophobicContact CG-CD1 4.05Å; L158-F247 HydrophobicContact CG-CE1 4.2Å; A162-F247 HydrophobicContact CB-CE1 3.87Å; A162-F247 HydrophobicContact CB-CZ 3.66Å; E244-F247 HydrophobicContact CB-CZ 4.5Å; E244-F247 HydrophobicContact CG-CZ 4.28Å; E244-F247 WeakPolarHBondContact O-CG 3.37Å; E244-F247 PolarHBondContact O-N 2.99Å; E244-F247 VanDerWaalsContact O-N 3.12Å; F247-R249 PolarHBondContact O-N 2.98Å; F247-L250 HydrophobicContact CB-CD1 4.23Å; F247-L250 HydrophobicContact CD1-CD1 4.17Å; F247-L250 HydrophobicContact CG-CD1 4.22Å; F247-L250 WeakPolarHBondContact O-CB 3.44Å; F247-L250 WeakPolarHBondContact O-CG 3.13Å; F247-L250 PolarHBondContact O-N 2.9Å; F247-L250 VanDerWaalsContact O-N 3.11Å
248	N	93.3	Very high	89.5	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.139	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57.1	-28.5	171	66	-48.1	0	0	0	113.2	S226 S227 I229 T231 R246 L250 L251	S226-N248 PolarHBondContact O-ND2 3.27Å; S227-N248 WeakPolarHBondContact CA-O 3.3Å; S227-N248 PolarHBondContact O-ND2 3.4Å; I229-N248 PolarHBondContact O-ND2 3.15Å; T231-N248 PolarHBondContact OG1-OD1 3.01Å; T231-N248 VanDerWaalsContact OG1-OD1 3.04Å; R246-N248 VanDerWaalsContact C-OD1 3.31Å; R246-N248 PolarHBondContact O-N 3.24Å; R246-N248 PolarHBondContact O-OD1 2.92Å; N248-L250 PolarHBondContact O-N 2.84Å; N248-L251 WeakPolarHBondContact O-CB 3.43Å; N248-L251 WeakPolarHBondContact O-CG 3.46Å; N248-L251 PolarHBondContact O-N 2.87Å; N248-L251 VanDerWaalsContact O-N 3.16Å
249	R	93.2	Very high	89.9	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.015	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65.9	-19.6	178.4	-80.7	63.4	176.1	-156.3	-11.5	113.3	D183 Y186 S227 I229 T231 D232 R246 F247 L251 H252	D183-R249 IonicContact OD1-CZ 2.85Å; D183-R249 IonicContact OD1-NE 3.23Å; D183-R249 PolarHBondContact OD1-NE 2.87Å; D183-R249 IonicContact OD1-NH2 2.66Å; D183-R249 IonicContact OD2-CZ 2.96Å; D183-R249 IonicContact OD2-NE 3.91Å; D183-R249 IonicContact OD2-NH2 2.68Å; D183-R249 PolarHBondContact OD2-NH2 3.07Å; Y186-R249 HydrophobicContact CE2-CG 4.4Å; S227-R249 VanDerWaalsContact O-CD 3.23Å; S227-R249 WeakPolarHBondContact O-CD 3.24Å; S227-R249 PolarHBondContact O-NE 3.13Å; I229-R249 PolarHBondContact O-NH1 2.6Å; T231-R249 PolarHBondContact OG1-NH1 3.41Å; D232-R249 IonicContact OD1-CZ 2.88Å; D232-R249 VanDerWaalsContact OD1-CZ 3.23Å; D232-R249 IonicContact OD1-NH1 3.52Å; D232-R249 PolarHBondContact OD1-NH1 2.83Å; D232-R249 IonicContact OD1-NH2 2.75Å; D232-R249 PolarHBondContact OD1-NH2 3.03Å; D232-R249 IonicContact OD2-CZ 2.74Å; D232-R249 IonicContact OD2-NH2 2.62Å; D232-R249 PolarHBondContact OD2-NH2 2.92Å; R246-R249 WeakPolarHBondContact O-CB 2.9Å; R246-R249 WeakPolarHBondContact O-CD 3.1Å; R246-R249 PolarHBondContact O-N 3.12Å; F247-R249 PolarHBondContact O-N 2.98Å; R249-L251 PolarHBondContact O-N 3.45Å; R249-H252 PolarHBondContact O-N 3Å
250	L	92.9	Very high	90.4	Very high	21 Å²	21	41.2 Å²	41.2	11%	0.11	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.4	176.5	-60	171.8	0	0	0	112.2	N154 W155 L158 V159 F247 N248 H252 F253 W288	N154-L250 WeakPolarHBondContact O-CD2 3.32Å; W155-L250 HydrophobicContact CG-CD2 4.22Å; W155-L250 PolarHBondContact NE1-O 2.66Å; L158-L250 HydrophobicContact CD2-CD2 4.26Å; L158-L250 HydrophobicContact CD2-CG 4.19Å; V159-L250 HydrophobicContact CG2-CD1 4.36Å; F247-L250 HydrophobicContact CB-CD1 4.23Å; F247-L250 HydrophobicContact CD1-CD1 4.17Å; F247-L250 HydrophobicContact CG-CD1 4.22Å; F247-L250 WeakPolarHBondContact O-CB 3.44Å; F247-L250 WeakPolarHBondContact O-CG 3.13Å; F247-L250 PolarHBondContact O-N 2.9Å; F247-L250 VanDerWaalsContact O-N 3.11Å; N248-L250 PolarHBondContact O-N 2.84Å; L250-H252 PolarHBondContact O-N 2.87Å; L250-F253 WeakPolarHBondContact O-CD1 3.21Å; L250-W288 HydrophobicContact CD1-CH2 3.94Å; L250-W288 HydrophobicContact CD1-CZ2 4.43Å; L250-W288 HydrophobicContact CD2-CZ2 4.29Å
251	L	92.8	Very high	90.9	Very high	65 Å²	65	42 Å²	42	34%	0.34	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67.5	-13.4	178.6	-60.4	176.2	0	0	0	113.6	S226 N248 R249 F253	S226-L251 VanDerWaalsContact OG-CD1 3.29Å; S226-L251 WeakPolarHBondContact OG-CD1 3.14Å; N248-L251 WeakPolarHBondContact O-CB 3.43Å; N248-L251 WeakPolarHBondContact O-CG 3.46Å; N248-L251 PolarHBondContact O-N 2.87Å; N248-L251 VanDerWaalsContact O-N 3.16Å; R249-L251 PolarHBondContact O-N 3.45Å; L251-F253 PolarHBondContact O-N 2.79Å; L251-F253 VanDerWaalsContact O-N 3.13Å
252	H	91.6	Very high	91.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-76.6	10.9	179.3	-146.6	87.6	0	0	0	113.9	V151 Y186 D189 D224 S227 R249 L250 A254 R255	V151-H252 HydrophobicContact CG2-CB 4.42Å; Y186-H252 AromaticContact CD1-CD2 3.62Å; Y186-H252 AromaticContact CD1-CE1 3.93Å; Y186-H252 AromaticContact CD1-NE2 3.57Å; Y186-H252 HydrophobicContact CE1-CB 4.4Å; Y186-H252 AromaticContact CE1-CD2 3.5Å; Y186-H252 VanDerWaalsContact CE1-CD2 3.5Å; Y186-H252 WeakPolarHBondContact CE1-CD2 3.4Å; Y186-H252 AromaticContact CE1-CG 3.91Å; Y186-H252 AromaticContact CE1-NE2 3.94Å; Y186-H252 HydrophobicContact CE2-CB 4.28Å; D189-H252 IonicContact OD2-NE2 3.1Å; D224-H252 IonicContact OD1-CE1 3.87Å; D224-H252 IonicContact OD1-ND1 3.87Å; S227-H252 PolarHBondContact OG-ND1 2.91Å; R249-H252 PolarHBondContact O-N 3Å; L250-H252 PolarHBondContact O-N 2.87Å; H252-A254 PolarHBondContact O-N 3.36Å; H252-R255 PolarHBondContact O-N 2.84Å
253	F	89.4	Confident	91.6	Very high	73 Å²	73	39.7 Å²	39.7	32%	0.32	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.6	-24.1	-176	70.6	-97.3	0	0	0	114.1	W155 L250 L251 R255 M256 F257	W155-F253 HydrophobicContact CZ2-CB 3.71Å; W155-F253 HydrophobicContact CZ2-CD1 4.21Å; W155-F253 HydrophobicContact CZ2-CG 4.1Å; L250-F253 WeakPolarHBondContact O-CD1 3.21Å; L251-F253 PolarHBondContact O-N 2.79Å; L251-F253 VanDerWaalsContact O-N 3.13Å; F253-R255 PolarHBondContact O-N 3.43Å; F253-R255 VanDerWaalsContact O-N 3.15Å; F253-M256 VanDerWaalsContact O-CB 3.3Å; F253-M256 WeakPolarHBondContact O-CB 3.43Å; F253-M256 PolarHBondContact O-N 3.33Å; F253-F257 AromaticContact CD2-CD2 3.75Å; F253-F257 HydrophobicContact CD2-CD2 3.75Å; F253-F257 AromaticContact CD2-CE2 3.43Å; F253-F257 HydrophobicContact CD2-CE2 3.43Å; F253-F257 VanDerWaalsContact CD2-CE2 3.43Å; F253-F257 HydrophobicContact CE2-CD2 4.16Å; F253-F257 AromaticContact CE2-CE2 3.78Å; F253-F257 HydrophobicContact CE2-CE2 3.78Å
254	A	90.9	Very high	91.7	Very high	19 Å²	19	41.7 Å²	41.7	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-32.7	-177.4	0	0	0	0	0	112.8	Q220 H252 M256 F257 E258	Q220-A254 HydrophobicContact CG-CB 4.13Å; H252-A254 PolarHBondContact O-N 3.36Å; A254-M256 VanDerWaalsContact C-N 3.33Å; A254-M256 PolarHBondContact O-N 2.87Å; A254-F257 PolarHBondContact O-N 3.31Å; A254-E258 PolarHBondContact O-N 2.94Å
255	R	89.9	Confident	91.7	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-30.1	178	-61	-65.1	-79.6	156.7	-4.1	112.9	Y140 I147 D189 H252 F253 E258 F259	Y140-R255 PolarHBondContact OH-NH1 2.81Å; I147-R255 VanDerWaalsContact CD1-NH2 3.28Å; I147-R255 HydrophobicContact CG2-CB 3.82Å; I147-R255 HydrophobicContact CG2-CG 4.25Å; D189-R255 IonicContact OD1-CZ 2.73Å; D189-R255 IonicContact OD1-NE 3.9Å; D189-R255 IonicContact OD1-NH2 3Å; D189-R255 PolarHBondContact OD1-NH2 3.24Å; D189-R255 IonicContact OD2-CZ 3.66Å; D189-R255 IonicContact OD2-NE 2.71Å; D189-R255 PolarHBondContact OD2-NE 2.85Å; D189-R255 IonicContact OD2-NH2 3.95Å; D189-R255 PolarHBondContact OD2-NH2 3.07Å; H252-R255 PolarHBondContact O-N 2.84Å; F253-R255 PolarHBondContact O-N 3.43Å; F253-R255 VanDerWaalsContact O-N 3.15Å; R255-E258 IonicContact CZ-OE2 3.93Å; R255-E258 VanDerWaalsContact NH1-CD 3.26Å; R255-E258 IonicContact NH1-OE1 3.25Å; R255-E258 PolarHBondContact NH1-OE1 2.85Å; R255-E258 IonicContact NH1-OE2 3.97Å; R255-E258 PolarHBondContact NH1-OE2 3.17Å; R255-E258 PolarHBondContact O-N 2.95Å; R255-F259 PolarHBondContact O-N 3.09Å
256	M	91.3	Very high	91.6	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-42.7	175.5	-175	65.7	79.9	0	0	111.1	A148 V151 L152 F253 A254 E258 F259 F260	A148-M256 HydrophobicContact CB-CE 4.04Å; A148-M256 HydrophobicContact CB-SD 3.84Å; A148-M256 WeakPolarHBondContact O-CE 3.3Å; V151-M256 HydrophobicContact CB-CE 4.06Å; V151-M256 HydrophobicContact CG1-CB 4.02Å; V151-M256 HydrophobicContact CG1-CE 4.04Å; L152-M256 HydrophobicContact CB-CE 3.79Å; F253-M256 VanDerWaalsContact O-CB 3.3Å; F253-M256 WeakPolarHBondContact O-CB 3.43Å; F253-M256 PolarHBondContact O-N 3.33Å; A254-M256 VanDerWaalsContact C-N 3.33Å; A254-M256 PolarHBondContact O-N 2.87Å; M256-E258 PolarHBondContact O-N 2.91Å; M256-F259 WeakPolarHBondContact O-CB 3.27Å; M256-F259 PolarHBondContact O-N 3.41Å; M256-F259 HydrophobicContact SD-CD1 4.21Å; M256-F260 HydrophobicContact CG-CD2 4.1Å; M256-F260 HydrophobicContact CG-CE1 3.99Å; M256-F260 HydrophobicContact CG-CE2 3.44Å; M256-F260 VanDerWaalsContact CG-CE2 3.44Å; M256-F260 HydrophobicContact CG-CZ 3.38Å; M256-F260 VanDerWaalsContact O-CG 3.32Å; M256-F260 WeakPolarHBondContact O-CG 3.45Å; M256-F260 PolarHBondContact O-N 3.42Å; M256-F260 HydrophobicContact SD-CD1 4.29Å; M256-F260 HydrophobicContact SD-CE1 3.51Å; M256-F260 VanDerWaalsContact SD-CE1 3.51Å; M256-F260 HydrophobicContact SD-CE2 4.1Å; M256-F260 HydrophobicContact SD-CZ 3.4Å; M256-F260 WeakPolarHBondContact SD-CZ 3.48Å
257	F	91.7	Very high	91.5	Very high	97 Å²	97	46.8 Å²	46.8	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-42.1	176.3	-70.7	-59	0	0	0	111.9	F253 A254 F259 F260 D261 Y281	F253-F257 AromaticContact CD2-CD2 3.75Å; F253-F257 HydrophobicContact CD2-CD2 3.75Å; F253-F257 AromaticContact CD2-CE2 3.43Å; F253-F257 HydrophobicContact CD2-CE2 3.43Å; F253-F257 VanDerWaalsContact CD2-CE2 3.43Å; F253-F257 HydrophobicContact CE2-CD2 4.16Å; F253-F257 AromaticContact CE2-CE2 3.78Å; F253-F257 HydrophobicContact CE2-CE2 3.78Å; A254-F257 PolarHBondContact O-N 3.31Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.96Å; F257-F260 HydrophobicContact CD1-CD2 4.39Å; F257-F260 PolarHBondContact O-N 3.22Å; F257-D261 PolarHBondContact O-N 2.95Å; F257-Y281 HydrophobicContact CE1-CE1 4.35Å; F257-Y281 WeakPolarHBondContact CE1-OH 3.47Å
258	E	91.8	Very high	91.4	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-41.4	174	-172.1	179.2	163.8	0	0	111.9	Y140 L144 A254 R255 M256 R262	Y140-E258 WeakPolarHBondContact CE1-OE1 3.32Å; Y140-E258 PolarHBondContact OH-OE1 3.43Å; L144-E258 HydrophobicContact CD1-CG 4.28Å; L144-E258 HydrophobicContact CD2-CG 4.3Å; A254-E258 PolarHBondContact O-N 2.94Å; R255-E258 IonicContact CZ-OE2 3.93Å; R255-E258 VanDerWaalsContact NH1-CD 3.26Å; R255-E258 IonicContact NH1-OE1 3.25Å; R255-E258 PolarHBondContact NH1-OE1 2.85Å; R255-E258 IonicContact NH1-OE2 3.97Å; R255-E258 PolarHBondContact NH1-OE2 3.17Å; R255-E258 PolarHBondContact O-N 2.95Å; M256-E258 PolarHBondContact O-N 2.91Å; E258-R262 WeakPolarHBondContact O-CB 3.49Å; E258-R262 VanDerWaalsContact O-CG 3.26Å; E258-R262 WeakPolarHBondContact O-CG 3.31Å; E258-R262 PolarHBondContact O-N 2.8Å; E258-R262 VanDerWaalsContact O-N 3.08Å
259	F	93.3	Very high	91	Very high	19 Å²	19	54.1 Å²	54.1	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-43.5	174	170.5	-105.5	0	0	0	112.1	Y141 L144 F145 A148 R255 M256 F257 R262 T263	Y141-F259 HydrophobicContact CE2-CE2 4.29Å; L144-F259 HydrophobicContact CB-CB 4.27Å; L144-F259 HydrophobicContact CB-CD2 3.99Å; F145-F259 HydrophobicContact CB-CD2 4.47Å; F145-F259 HydrophobicContact CB-CE2 3.89Å; F145-F259 AromaticContact CD2-CE2 3.83Å; F145-F259 HydrophobicContact CD2-CE2 3.83Å; F145-F259 AromaticContact CD2-CZ 3.67Å; F145-F259 HydrophobicContact CD2-CZ 3.67Å; F145-F259 HydrophobicContact CE2-CZ 4.44Å; F145-F259 HydrophobicContact CG-CE2 4.38Å; A148-F259 HydrophobicContact CB-CB 4.48Å; A148-F259 HydrophobicContact CB-CD1 3.78Å; A148-F259 HydrophobicContact CB-CE1 4.18Å; A148-F259 HydrophobicContact CB-CG 4Å; R255-F259 PolarHBondContact O-N 3.09Å; M256-F259 WeakPolarHBondContact O-CB 3.27Å; M256-F259 PolarHBondContact O-N 3.41Å; M256-F259 HydrophobicContact SD-CD1 4.21Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.96Å; F259-R262 PolarHBondContact O-N 3.26Å; F259-T263 WeakPolarHBondContact CE2-OG1 3.46Å; F259-T263 VanDerWaalsContact CZ-OG1 3.31Å; F259-T263 WeakPolarHBondContact CZ-OG1 3.39Å; F259-T263 VanDerWaalsContact O-CB 3.31Å; F259-T263 WeakPolarHBondContact O-CB 3.49Å; F259-T263 PolarHBondContact O-N 3.35Å; F259-T263 PolarHBondContact O-OG1 2.94Å
260	F	93.4	Very high	90.9	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-48.1	177.4	-65.4	-23.8	0	0	0	112.2	M256 F257 R262 T263 E264 F273 L280 Y281	M256-F260 HydrophobicContact CG-CD2 4.1Å; M256-F260 HydrophobicContact CG-CE1 3.99Å; M256-F260 HydrophobicContact CG-CE2 3.44Å; M256-F260 VanDerWaalsContact CG-CE2 3.44Å; M256-F260 HydrophobicContact CG-CZ 3.38Å; M256-F260 VanDerWaalsContact O-CG 3.32Å; M256-F260 WeakPolarHBondContact O-CG 3.45Å; M256-F260 PolarHBondContact O-N 3.42Å; M256-F260 HydrophobicContact SD-CD1 4.29Å; M256-F260 HydrophobicContact SD-CE1 3.51Å; M256-F260 VanDerWaalsContact SD-CE1 3.51Å; M256-F260 HydrophobicContact SD-CE2 4.1Å; M256-F260 HydrophobicContact SD-CZ 3.4Å; M256-F260 WeakPolarHBondContact SD-CZ 3.48Å; F257-F260 HydrophobicContact CD1-CD2 4.39Å; F257-F260 PolarHBondContact O-N 3.22Å; F260-R262 VanDerWaalsContact C-N 3.31Å; F260-R262 PolarHBondContact O-N 2.99Å; F260-T263 PolarHBondContact O-N 3.37Å; F260-E264 WeakPolarHBondContact O-CB 3.24Å; F260-E264 PolarHBondContact O-N 3.12Å; F260-F273 HydrophobicContact CB-CE1 4.43Å; F260-F273 HydrophobicContact CD1-CZ 4.07Å; F260-F273 WeakPolarHBondContact O-CE1 3.47Å; F260-L280 HydrophobicContact CE1-CD2 4.48Å; F260-L280 HydrophobicContact CZ-CD2 3.85Å; F260-Y281 HydrophobicContact CD2-CE1 4.38Å; F260-Y281 WeakPolarHBondContact CD2-OH 3.26Å; F260-Y281 AromaticContact CE2-CE1 3.7Å; F260-Y281 HydrophobicContact CE2-CE1 3.7Å; F260-Y281 AromaticContact CE2-CZ 3.85Å; F260-Y281 WeakPolarHBondContact CE2-OH 3.33Å
261	D	91.4	Very high	90.6	Very high	102 Å²	102	57.3 Å²	57.3	55%	0.545	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-41.6	179.1	-70.9	-16.2	0	0	0	111.8	F257 T265	F257-D261 PolarHBondContact O-N 2.95Å; D261-T265 PolarHBondContact O-N 3.06Å; D261-T265 PolarHBondContact O-OG1 3.39Å; D261-T265 VanDerWaalsContact O-OG1 3.09Å
262	R	91.2	Very high	90.4	Very high	78 Å²	78	59.5 Å²	59.5	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-70.1	-37.6	177.8	-67.7	-55.1	-169.3	105.1	7.8	112.9	P135 Y141 L144 E258 F259 F260 T265 R266	P135-R262 PolarHBondContact O-NH1 2.89Å; P135-R262 PolarHBondContact O-NH2 2.94Å; Y141-R262 HydrophobicContact CD2-CB 4.21Å; Y141-R262 HydrophobicContact CE2-CB 4.49Å; L144-R262 HydrophobicContact CD1-CB 4.38Å; L144-R262 HydrophobicContact CD1-CG 4.01Å; E258-R262 WeakPolarHBondContact O-CB 3.49Å; E258-R262 VanDerWaalsContact O-CG 3.26Å; E258-R262 WeakPolarHBondContact O-CG 3.31Å; E258-R262 PolarHBondContact O-N 2.8Å; E258-R262 VanDerWaalsContact O-N 3.08Å; F259-R262 PolarHBondContact O-N 3.26Å; F260-R262 VanDerWaalsContact C-N 3.31Å; F260-R262 PolarHBondContact O-N 2.99Å; R262-T265 PolarHBondContact O-OG1 3.13Å; R262-T265 VanDerWaalsContact O-OG1 3.06Å; R262-R266 WeakPolarHBondContact O-CG 3.49Å; R262-R266 PolarHBondContact O-N 2.98Å
263	T	92.3	Very high	90.4	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.086	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-37.7	177.8	-55.3	0	0	0	0	110.9	F259 F260 T265 R266 T267 F273	F259-T263 WeakPolarHBondContact CE2-OG1 3.46Å; F259-T263 VanDerWaalsContact CZ-OG1 3.31Å; F259-T263 WeakPolarHBondContact CZ-OG1 3.39Å; F259-T263 VanDerWaalsContact O-CB 3.31Å; F259-T263 WeakPolarHBondContact O-CB 3.49Å; F259-T263 PolarHBondContact O-N 3.35Å; F259-T263 PolarHBondContact O-OG1 2.94Å; F260-T263 PolarHBondContact O-N 3.37Å; T263-T265 PolarHBondContact O-N 2.96Å; T263-R266 PolarHBondContact O-N 3.15Å; T263-T267 WeakPolarHBondContact O-CB 3.37Å; T263-T267 WeakPolarHBondContact O-CG2 3.45Å; T263-T267 PolarHBondContact O-N 2.92Å; T263-F273 VanDerWaalsContact CB-CZ 3.44Å; T263-F273 HydrophobicContact CG2-CD1 4.49Å; T263-F273 HydrophobicContact CG2-CD2 3.98Å; T263-F273 HydrophobicContact CG2-CE1 3.96Å; T263-F273 HydrophobicContact CG2-CE2 3.4Å; T263-F273 VanDerWaalsContact CG2-CE2 3.4Å; T263-F273 HydrophobicContact CG2-CG 4.49Å; T263-F273 HydrophobicContact CG2-CZ 3.4Å; T263-F273 VanDerWaalsContact CG2-CZ 3.4Å
264	E	91.2	Very high	90.5	Very high	46 Å²	46	62.4 Å²	62.4	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-41.6	177.7	-173.1	178.9	143	0	0	112.4	F260 T267 P270 F273 R274	F260-E264 WeakPolarHBondContact O-CB 3.24Å; F260-E264 PolarHBondContact O-N 3.12Å; E264-T267 WeakPolarHBondContact O-CG2 3.25Å; E264-P270 HydrophobicContact CG-CB 4.17Å; E264-F273 HydrophobicContact CB-CD1 3.87Å; E264-F273 HydrophobicContact CB-CE1 4.07Å; E264-F273 HydrophobicContact CG-CD1 4.38Å; E264-R274 VanDerWaalsContact CD-NE 3.35Å; E264-R274 HydrophobicContact CG-CG 4.48Å; E264-R274 IonicContact OE1-CZ 3.17Å; E264-R274 IonicContact OE1-NE 3.84Å; E264-R274 PolarHBondContact OE1-NE 2.91Å; E264-R274 IonicContact OE1-NH2 3.18Å; E264-R274 PolarHBondContact OE1-NH2 3.11Å; E264-R274 IonicContact OE2-NE 2.77Å
265	T	89.2	Confident	90.4	Very high	112 Å²	112	64.1 Å²	64.1	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-74.9	-25.3	179.6	49	0	0	0	0	113.5	D261 R262 T263	D261-T265 PolarHBondContact O-N 3.06Å; D261-T265 PolarHBondContact O-OG1 3.39Å; D261-T265 VanDerWaalsContact O-OG1 3.09Å; R262-T265 PolarHBondContact O-OG1 3.13Å; R262-T265 VanDerWaalsContact O-OG1 3.06Å; T263-T265 PolarHBondContact O-N 2.96Å
266	R	88.9	Confident	90.5	Very high	103 Å²	103	67.4 Å²	67.4	39%	0.389	34%	0.339	S	S	.	.	H	α-helix	trans	-90.4	-26.4	179.4	-74.6	-172.3	166.9	-141.9	-2.8	114.1	A136 D138 R262 T263	A136-R266 PolarHBondContact O-NH2 3.15Å; A136-R266 VanDerWaalsContact O-NH2 3.08Å; D138-R266 IonicContact OD1-CZ 2.84Å; D138-R266 IonicContact OD1-NH1 3.96Å; D138-R266 PolarHBondContact OD1-NH1 3.38Å; D138-R266 IonicContact OD1-NH2 3.79Å; D138-R266 PolarHBondContact OD1-NH2 3.21Å; R262-R266 WeakPolarHBondContact O-CG 3.49Å; R262-R266 PolarHBondContact O-N 2.98Å; T263-R266 PolarHBondContact O-N 3.15Å
267	T	89.6	Confident	90.5	Very high	47 Å²	47	67.1 Å²	67.1	29%	0.288	34%	0.338	S	S	.	.			trans	-70.4	140.6	179.9	-175.5	0	0	0	0	111.3	T263 E264 Y269 P270 F273	T263-T267 WeakPolarHBondContact O-CB 3.37Å; T263-T267 WeakPolarHBondContact O-CG2 3.45Å; T263-T267 PolarHBondContact O-N 2.92Å; E264-T267 WeakPolarHBondContact O-CG2 3.25Å; T267-Y269 PolarHBondContact O-N 2.95Å; T267-Y269 PolarHBondContact OG1-N 3.36Å; T267-P270 HydrophobicContact CG2-CB 4.33Å; T267-F273 HydrophobicContact CG2-CB 4.04Å; T267-F273 HydrophobicContact CG2-CG 4.48Å
268	S	89.5	Confident	90.4	Very high	106 Å²	106	63.4 Å²	63.4	74%	0.741	32%	0.323	S	S	*	.	S	Bend	trans	-70.8	-11.4	170.9	-48.6	0	0	0	0	112.7
269	Y	86.6	Confident	90.4	Very high	160 Å²	160	65.1 Å²	65.1	63%	0.627	34%	0.335	S	S	*	.			trans	-127.6	67.9	-176.7	-56.4	-75.5	0	0	0	111.9	T267 N271 I272 F273	T267-Y269 PolarHBondContact O-N 2.95Å; T267-Y269 PolarHBondContact OG1-N 3.36Å; Y269-N271 VanDerWaalsContact C-N 3.32Å; Y269-N271 PolarHBondContact O-N 3.01Å; Y269-I272 HydrophobicContact CG-CD1 4.44Å; Y269-I272 PolarHBondContact O-N 3.37Å; Y269-F273 PolarHBondContact O-N 2.84Å
270	P	89.9	Confident	90.3	Very high	47 Å²	47	66.5 Å²	66.5	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-37.2	-174.3	23	-33.8	0	0	0	112.9	E264 T267 I272 F273 R274	E264-P270 HydrophobicContact CG-CB 4.17Å; T267-P270 HydrophobicContact CG2-CB 4.33Å; P270-I272 PolarHBondContact O-N 2.94Å; P270-F273 PolarHBondContact O-N 3.47Å; P270-R274 WeakPolarHBondContact O-CG 3.48Å; P270-R274 PolarHBondContact O-N 2.84Å
271	N	87.8	Confident	90.2	Very high	45 Å²	45	69.9 Å²	69.9	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-39.2	-179.7	-68.2	-31.9	0	0	0	113	Y269 F273 R274 I275	Y269-N271 VanDerWaalsContact C-N 3.32Å; Y269-N271 PolarHBondContact O-N 3.01Å; N271-F273 VanDerWaalsContact C-N 3.35Å; N271-R274 PolarHBondContact O-N 2.78Å; N271-I275 WeakPolarHBondContact O-CG1 3.39Å; N271-I275 PolarHBondContact O-N 3.11Å; N271-I275 VanDerWaalsContact O-N 3.11Å
272	I	88.3	Confident	90.2	Very high	110 Å²	110	67.2 Å²	67.2	56%	0.564	34%	0.342	S	S	*	.	H	α-helix	trans	-67	-41.6	177.1	-66	174.1	0	0	0	109.9	Y269 P270 I275 S276	Y269-I272 HydrophobicContact CG-CD1 4.44Å; Y269-I272 PolarHBondContact O-N 3.37Å; P270-I272 PolarHBondContact O-N 2.94Å; I272-I275 PolarHBondContact O-N 2.91Å; I272-S276 PolarHBondContact O-N 2.99Å
273	F	91.6	Very high	90.3	Very high	36 Å²	36	68.5 Å²	68.5	16%	0.158	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-43.4	177.5	-175.1	-106.6	0	0	0	112.2	F260 T263 E264 T267 Y269 P270 N271 I275 S276 N277	F260-F273 HydrophobicContact CB-CE1 4.43Å; F260-F273 HydrophobicContact CD1-CZ 4.07Å; F260-F273 WeakPolarHBondContact O-CE1 3.47Å; T263-F273 VanDerWaalsContact CB-CZ 3.44Å; T263-F273 HydrophobicContact CG2-CD1 4.49Å; T263-F273 HydrophobicContact CG2-CD2 3.98Å; T263-F273 HydrophobicContact CG2-CE1 3.96Å; T263-F273 HydrophobicContact CG2-CE2 3.4Å; T263-F273 VanDerWaalsContact CG2-CE2 3.4Å; T263-F273 HydrophobicContact CG2-CG 4.49Å; T263-F273 HydrophobicContact CG2-CZ 3.4Å; T263-F273 VanDerWaalsContact CG2-CZ 3.4Å; E264-F273 HydrophobicContact CB-CD1 3.87Å; E264-F273 HydrophobicContact CB-CE1 4.07Å; E264-F273 HydrophobicContact CG-CD1 4.38Å; T267-F273 HydrophobicContact CG2-CB 4.04Å; T267-F273 HydrophobicContact CG2-CG 4.48Å; Y269-F273 PolarHBondContact O-N 2.84Å; P270-F273 PolarHBondContact O-N 3.47Å; N271-F273 VanDerWaalsContact C-N 3.35Å; F273-I275 VanDerWaalsContact C-N 3.35Å; F273-I275 PolarHBondContact O-N 2.95Å; F273-S276 WeakPolarHBondContact O-CB 3.44Å; F273-S276 PolarHBondContact O-N 3.13Å; F273-S276 VanDerWaalsContact O-N 3.16Å; F273-N277 WeakPolarHBondContact CE1-ND2 3.27Å; F273-N277 WeakPolarHBondContact CZ-ND2 3.48Å; F273-N277 PolarHBondContact O-N 3.45Å
274	R	90.4	Very high	90.4	Very high	98 Å²	98	68.7 Å²	68.7	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-57.7	-44.7	173.4	-71.9	175.6	-179.6	173.8	0.3	112.5	E264 P270 N271 N277 L278 M374	E264-R274 VanDerWaalsContact CD-NE 3.35Å; E264-R274 HydrophobicContact CG-CG 4.48Å; E264-R274 IonicContact OE1-CZ 3.17Å; E264-R274 IonicContact OE1-NE 3.84Å; E264-R274 PolarHBondContact OE1-NE 2.91Å; E264-R274 IonicContact OE1-NH2 3.18Å; E264-R274 PolarHBondContact OE1-NH2 3.11Å; E264-R274 IonicContact OE2-NE 2.77Å; P270-R274 WeakPolarHBondContact O-CG 3.48Å; P270-R274 PolarHBondContact O-N 2.84Å; N271-R274 PolarHBondContact O-N 2.78Å; R274-N277 PolarHBondContact O-N 2.79Å; R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 2.78Å; R274-M374 HydrophobicContact CB-SD 3.59Å; R274-M374 VanDerWaalsContact CB-SD 3.59Å
275	I	89.9	Confident	90.6	Very high	56 Å²	56	69.5 Å²	69.5	29%	0.287	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.7	-67.6	167.6	0	0	0	110.4	N271 I272 F273 N277 L278 V279 M374	N271-I275 WeakPolarHBondContact O-CG1 3.39Å; N271-I275 PolarHBondContact O-N 3.11Å; N271-I275 VanDerWaalsContact O-N 3.11Å; I272-I275 PolarHBondContact O-N 2.91Å; F273-I275 VanDerWaalsContact C-N 3.35Å; F273-I275 PolarHBondContact O-N 2.95Å; I275-N277 PolarHBondContact O-N 2.88Å; I275-L278 PolarHBondContact O-N 3.28Å; I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG2 3.32Å; I275-V279 PolarHBondContact O-N 3.1Å; I275-M374 HydrophobicContact CG1-SD 4.02Å
276	S	90.8	Very high	90.9	Very high	70 Å²	70	65 Å²	65	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-43.8	177.3	-171.6	0	0	0	0	112.4	I272 F273 L278 V279 L280	I272-S276 PolarHBondContact O-N 2.99Å; F273-S276 WeakPolarHBondContact O-CB 3.44Å; F273-S276 PolarHBondContact O-N 3.13Å; F273-S276 VanDerWaalsContact O-N 3.16Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-V279 PolarHBondContact O-N 3.39Å; S276-L280 WeakPolarHBondContact O-CB 3.33Å; S276-L280 PolarHBondContact O-N 3.4Å
277	N	91.8	Very high	91.2	Very high	14 Å²	14	60.8 Å²	60.8	8%	0.075	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-40.2	176.8	-71.4	-10.8	0	0	0	111.5	F273 R274 I275 L280 Y281	F273-N277 WeakPolarHBondContact CE1-ND2 3.27Å; F273-N277 WeakPolarHBondContact CZ-ND2 3.48Å; F273-N277 PolarHBondContact O-N 3.45Å; R274-N277 PolarHBondContact O-N 2.79Å; I275-N277 PolarHBondContact O-N 2.88Å; N277-L280 WeakPolarHBondContact O-CB 3.12Å; N277-L280 PolarHBondContact O-N 3.1Å; N277-Y281 HydrophobicContact CB-CE2 4.4Å; N277-Y281 VanDerWaalsContact O-CD2 3.29Å; N277-Y281 WeakPolarHBondContact O-CD2 3.15Å; N277-Y281 VanDerWaalsContact O-CG 3.26Å; N277-Y281 PolarHBondContact O-N 3.17Å
278	L	90.6	Very high	91.5	Very high	20 Å²	20	62.1 Å²	62.1	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-44.7	176	-174.1	60.4	0	0	0	111.7	R274 I275 S276 L280 Y281 I282 I367 N370 V371 M374	R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 2.78Å; I275-L278 PolarHBondContact O-N 3.28Å; S276-L278 VanDerWaalsContact C-N 3.33Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.47Å; L278-Y281 PolarHBondContact O-N 2.96Å; L278-I282 HydrophobicContact CG-CD1 4.45Å; L278-I282 VanDerWaalsContact O-CG1 3.27Å; L278-I282 WeakPolarHBondContact O-CG1 3.05Å; L278-I282 PolarHBondContact O-N 3.4Å; L278-I367 HydrophobicContact CD1-CG1 4.04Å; L278-I367 HydrophobicContact CD1-CG2 4.44Å; L278-I367 HydrophobicContact CD2-CG2 4.19Å; L278-I367 HydrophobicContact CG-CG2 4.3Å; L278-N370 HydrophobicContact CD2-CB 4.38Å; L278-V371 HydrophobicContact CD2-CG2 3.37Å; L278-M374 HydrophobicContact CD2-CE 3.87Å
279	V	90.7	Very high	91.8	Very high	73 Å²	73	57.8 Å²	57.8	44%	0.442	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-42.4	173.7	172.1	0	0	0	0	110.9	I275 S276 Y281 I282 L283	I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG2 3.32Å; I275-V279 PolarHBondContact O-N 3.1Å; S276-V279 PolarHBondContact O-N 3.39Å; V279-Y281 PolarHBondContact O-N 3.29Å; V279-I282 WeakPolarHBondContact O-CB 3.3Å; V279-I282 PolarHBondContact O-N 3.48Å; V279-L283 HydrophobicContact CG1-CD1 4.07Å; V279-L283 HydrophobicContact CG1-CG 4.4Å; V279-L283 WeakPolarHBondContact O-CG 3.27Å; V279-L283 PolarHBondContact O-N 2.79Å
280	L	92.3	Very high	92.3	Very high	48 Å²	48	50.1 Å²	50.1	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-45.5	175.2	179.3	64.7	0	0	0	111.8	L152 F260 S276 N277 L278 I282 L283 V284	L152-L280 HydrophobicContact CD1-CD1 4.23Å; F260-L280 HydrophobicContact CE1-CD2 4.48Å; F260-L280 HydrophobicContact CZ-CD2 3.85Å; S276-L280 WeakPolarHBondContact O-CB 3.33Å; S276-L280 PolarHBondContact O-N 3.4Å; N277-L280 WeakPolarHBondContact O-CB 3.12Å; N277-L280 PolarHBondContact O-N 3.1Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.47Å; L280-I282 VanDerWaalsContact C-N 3.33Å; L280-I282 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 2.96Å; L280-V284 HydrophobicContact CD1-CG2 4.33Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.81Å
281	Y	91.3	Very high	92.6	Very high	83 Å²	83	47.9 Å²	47.9	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-42.9	176.1	-62.2	-35.6	0	0	0	112.3	F257 F260 N277 L278 V279 V284 I285	F257-Y281 HydrophobicContact CE1-CE1 4.35Å; F257-Y281 WeakPolarHBondContact CE1-OH 3.47Å; F260-Y281 HydrophobicContact CD2-CE1 4.38Å; F260-Y281 WeakPolarHBondContact CD2-OH 3.26Å; F260-Y281 AromaticContact CE2-CE1 3.7Å; F260-Y281 HydrophobicContact CE2-CE1 3.7Å; F260-Y281 AromaticContact CE2-CZ 3.85Å; F260-Y281 WeakPolarHBondContact CE2-OH 3.33Å; N277-Y281 HydrophobicContact CB-CE2 4.4Å; N277-Y281 VanDerWaalsContact O-CD2 3.29Å; N277-Y281 WeakPolarHBondContact O-CD2 3.15Å; N277-Y281 VanDerWaalsContact O-CG 3.26Å; N277-Y281 PolarHBondContact O-N 3.17Å; L278-Y281 PolarHBondContact O-N 2.96Å; V279-Y281 PolarHBondContact O-N 3.29Å; Y281-V284 PolarHBondContact O-N 2.83Å; Y281-I285 WeakPolarHBondContact O-CD1 3.48Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.3Å; Y281-I285 PolarHBondContact O-N 2.93Å
282	I	91.3	Very high	92.9	Very high	46 Å²	46	48.6 Å²	48.6	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-49.3	176.5	-64.8	166.1	0	0	0	110.6	L278 V279 L280 V284 I285 I286 I367	L278-I282 HydrophobicContact CG-CD1 4.45Å; L278-I282 VanDerWaalsContact O-CG1 3.27Å; L278-I282 WeakPolarHBondContact O-CG1 3.05Å; L278-I282 PolarHBondContact O-N 3.4Å; V279-I282 WeakPolarHBondContact O-CB 3.3Å; V279-I282 PolarHBondContact O-N 3.48Å; L280-I282 VanDerWaalsContact C-N 3.33Å; L280-I282 PolarHBondContact O-N 2.9Å; I282-V284 VanDerWaalsContact C-N 3.31Å; I282-V284 PolarHBondContact O-N 2.82Å; I282-I285 PolarHBondContact O-N 2.86Å; I282-I286 HydrophobicContact CG2-CD1 3.63Å; I282-I286 HydrophobicContact CG2-CG1 4.32Å; I282-I286 VanDerWaalsContact O-CG1 3.31Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.33Å; I282-I367 HydrophobicContact CD1-CD1 4.07Å; I282-I367 HydrophobicContact CD1-CG1 4.34Å; I282-I367 HydrophobicContact CD1-CG2 3.49Å; I282-I367 VanDerWaalsContact CD1-CG2 3.49Å; I282-I367 HydrophobicContact CG1-CD1 3.55Å; I282-I367 HydrophobicContact CG1-CG1 4.12Å; I282-I367 HydrophobicContact CG1-CG2 4.2Å
283	L	93.4	Very high	93.2	Very high	104 Å²	104	43.4 Å²	43.4	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-40.4	-179.9	-69.2	174.1	0	0	0	111.7	V279 L280 H287	V279-L283 HydrophobicContact CG1-CD1 4.07Å; V279-L283 HydrophobicContact CG1-CG 4.4Å; V279-L283 WeakPolarHBondContact O-CG 3.27Å; V279-L283 PolarHBondContact O-N 2.79Å; L280-L283 PolarHBondContact O-N 2.96Å; L283-H287 WeakPolarHBondContact O-CB 3.45Å; L283-H287 PolarHBondContact O-N 2.85Å
284	V	94.4	Very high	93.4	Very high	19 Å²	19	42 Å²	42	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-42.9	176.6	173	0	0	0	0	111.3	W155 L280 Y281 I282 H287 W288	W155-V284 HydrophobicContact CE3-CG1 3.95Å; W155-V284 HydrophobicContact CZ3-CG1 4.36Å; L280-V284 HydrophobicContact CD1-CG2 4.33Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.81Å; Y281-V284 PolarHBondContact O-N 2.83Å; I282-V284 VanDerWaalsContact C-N 3.31Å; I282-V284 PolarHBondContact O-N 2.82Å; V284-H287 WeakPolarHBondContact O-CB 3.17Å; V284-H287 PolarHBondContact O-N 3.42Å; V284-W288 PolarHBondContact O-N 2.87Å
285	I	94.1	Very high	93.6	Very high	62 Å²	62	39.2 Å²	39.2	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-47.1	178.4	-68	164.4	0	0	0	111	Y281 I282 H287 W288 N289 L335 I363	Y281-I285 WeakPolarHBondContact O-CD1 3.48Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.3Å; Y281-I285 PolarHBondContact O-N 2.93Å; I282-I285 PolarHBondContact O-N 2.86Å; I285-H287 VanDerWaalsContact C-N 3.29Å; I285-H287 PolarHBondContact O-N 3.01Å; I285-W288 PolarHBondContact O-N 2.85Å; I285-N289 WeakPolarHBondContact O-CB 3.33Å; I285-N289 PolarHBondContact O-N 2.66Å; I285-L335 HydrophobicContact CG2-CD1 3.99Å; I285-I363 HydrophobicContact CD1-CD1 4.37Å; I285-I363 HydrophobicContact CD1-CG2 4.12Å; I285-I363 HydrophobicContact CG2-CD1 4.26Å
286	I	94.9	Very high	93.8	Very high	18 Å²	18	38.5 Å²	38.5	9%	0.092	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-42.3	176.1	-66	171.7	0	0	0	110.3	I282 N289 A290 L328 S331 T332 L335	I282-I286 HydrophobicContact CG2-CD1 3.63Å; I282-I286 HydrophobicContact CG2-CG1 4.32Å; I282-I286 VanDerWaalsContact O-CG1 3.31Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.33Å; I286-N289 PolarHBondContact O-N 2.92Å; I286-A290 VanDerWaalsContact O-CB 3.29Å; I286-A290 WeakPolarHBondContact O-CB 3.43Å; I286-A290 PolarHBondContact O-N 3.49Å; I286-L328 HydrophobicContact CG2-CD1 3.74Å; I286-L328 HydrophobicContact CG2-CG 4.35Å; I286-S331 PolarHBondContact O-OG 3.17Å; I286-S331 VanDerWaalsContact O-OG 3.07Å; I286-T332 WeakPolarHBondContact CG2-OG1 3.38Å; I286-L335 HydrophobicContact CB-CD1 4.42Å; I286-L335 HydrophobicContact CG1-CD1 3.9Å
287	H	96	Very high	93.9	Very high	15 Å²	15	35.1 Å²	35.1	7%	0.069	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-46.9	175.8	171.9	71.3	0	0	0	112.5	C156 L283 V284 I285 A290 C291 Y324	C156-H287 PolarHBondContact O-NE2 3.4Å; L283-H287 WeakPolarHBondContact O-CB 3.45Å; L283-H287 PolarHBondContact O-N 2.85Å; V284-H287 WeakPolarHBondContact O-CB 3.17Å; V284-H287 PolarHBondContact O-N 3.42Å; I285-H287 VanDerWaalsContact C-N 3.29Å; I285-H287 PolarHBondContact O-N 3.01Å; H287-A290 WeakPolarHBondContact O-CB 3.41Å; H287-A290 PolarHBondContact O-N 3.08Å; H287-C291 VanDerWaalsContact CE1-SG 3.58Å; H287-C291 PolarHBondContact O-N 2.92Å; H287-C291 PolarHBondContact O-SG 3.45Å; H287-Y324 AromaticContact CE1-CE2 3.72Å; H287-Y324 AromaticContact ND1-CE2 3.48Å; H287-Y324 WeakPolarHBondContact ND1-CE2 3.42Å; H287-Y324 AromaticContact ND1-CZ 3.6Å; H287-Y324 PolarHBondContact ND1-OH 3.45Å
288	W	96.3	Very high	93.9	Very high	74 Å²	74	39 Å²	39	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-45.1	179.1	-83.8	54.4	0	0	0	111.6	W155 V159 L250 V284 I285 A290 C291 V292	W155-W288 AromaticContact CD2-CZ2 3.98Å; W155-W288 HydrophobicContact CD2-CZ2 3.98Å; W155-W288 AromaticContact CE3-CE2 3.89Å; W155-W288 HydrophobicContact CE3-CH2 4.42Å; W155-W288 AromaticContact CE3-CZ2 3.54Å; W155-W288 HydrophobicContact CE3-CZ2 3.54Å; W155-W288 AromaticContact CE3-NE1 3.99Å; W155-W288 HydrophobicContact CH2-CZ2 4.49Å; W155-W288 HydrophobicContact CZ3-CH2 4.35Å; W155-W288 AromaticContact CZ3-CZ2 3.83Å; W155-W288 HydrophobicContact CZ3-CZ2 3.83Å; W155-W288 PolarHBondContact O-NE1 2.88Å; V159-W288 HydrophobicContact CG1-CD2 4.47Å; V159-W288 HydrophobicContact CG2-CD2 4.19Å; V159-W288 HydrophobicContact CG2-CE3 4.43Å; V159-W288 HydrophobicContact CG2-CH2 3.94Å; V159-W288 HydrophobicContact CG2-CZ2 3.6Å; V159-W288 HydrophobicContact CG2-CZ3 4.32Å; L250-W288 HydrophobicContact CD1-CH2 3.94Å; L250-W288 HydrophobicContact CD1-CZ2 4.43Å; L250-W288 HydrophobicContact CD2-CZ2 4.29Å; V284-W288 PolarHBondContact O-N 2.87Å; I285-W288 PolarHBondContact O-N 2.85Å; W288-A290 VanDerWaalsContact C-N 3.34Å; W288-A290 PolarHBondContact O-N 2.97Å; W288-C291 WeakPolarHBondContact O-CB 3.49Å; W288-C291 PolarHBondContact O-N 3.14Å; W288-V292 WeakPolarHBondContact O-CG2 3.33Å; W288-V292 PolarHBondContact O-N 3.45Å
289	N	95.6	Very high	94	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-38.7	178.1	-176.8	36.4	0	0	0	111.8	I285 I286 C291 V292 Y293 S331 L335 D356	I285-N289 WeakPolarHBondContact O-CB 3.33Å; I285-N289 PolarHBondContact O-N 2.66Å; I286-N289 PolarHBondContact O-N 2.92Å; N289-C291 VanDerWaalsContact C-N 3.34Å; N289-C291 PolarHBondContact O-N 2.91Å; N289-V292 PolarHBondContact O-N 2.79Å; N289-Y293 WeakPolarHBondContact O-CB 3.4Å; N289-Y293 PolarHBondContact O-N 3.47Å; N289-S331 VanDerWaalsContact CB-OG 3.23Å; N289-S331 WeakPolarHBondContact CB-OG 3.33Å; N289-S331 PolarHBondContact ND2-OG 2.82Å; N289-L335 HydrophobicContact CB-CD1 3.82Å; N289-L335 WeakPolarHBondContact ND2-CG 3.47Å; N289-D356 PolarHBondContact ND2-OD1 3.47Å; N289-D356 PolarHBondContact ND2-OD2 3.48Å; N289-D356 PolarHBondContact OD1-OD1 3.23Å
290	A	96.2	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-42.8	171.3	0	0	0	0	0	112.8	I286 H287 W288 Y293 Y294 C327 L328 S331	I286-A290 VanDerWaalsContact O-CB 3.29Å; I286-A290 WeakPolarHBondContact O-CB 3.43Å; I286-A290 PolarHBondContact O-N 3.49Å; H287-A290 WeakPolarHBondContact O-CB 3.41Å; H287-A290 PolarHBondContact O-N 3.08Å; W288-A290 VanDerWaalsContact C-N 3.34Å; W288-A290 PolarHBondContact O-N 2.97Å; A290-Y293 PolarHBondContact O-N 2.85Å; A290-Y294 PolarHBondContact O-N 3.22Å; A290-C327 HydrophobicContact CB-CB 4.14Å; A290-C327 WeakPolarHBondContact CB-O 3.36Å; A290-L328 HydrophobicContact CB-CB 4.47Å; A290-L328 HydrophobicContact CB-CD1 4.24Å; A290-S331 PolarHBondContact N-OG 2.85Å
291	C	95.9	Very high	94.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-42.9	177	-66.6	0	0	0	0	111.6	V159 C163 H287 W288 N289 Y294 A295	V159-C291 HydrophobicContact CG1-CB 3.77Å; C163-C291 HydrophobicContact CB-CB 4.13Å; C163-C291 PolarHBondContact SG-O 3.45Å; H287-C291 VanDerWaalsContact CE1-SG 3.58Å; H287-C291 PolarHBondContact O-N 2.92Å; H287-C291 PolarHBondContact O-SG 3.45Å; W288-C291 WeakPolarHBondContact O-CB 3.49Å; W288-C291 PolarHBondContact O-N 3.14Å; N289-C291 VanDerWaalsContact C-N 3.34Å; N289-C291 PolarHBondContact O-N 2.91Å; C291-Y294 PolarHBondContact O-N 3.15Å; C291-A295 WeakPolarHBondContact O-CB 3.48Å; C291-A295 PolarHBondContact O-N 3.07Å
292	V	95.1	Very high	94.2	Very high	60 Å²	60	37.7 Å²	37.7	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-45.5	176.1	172	0	0	0	0	111.1	W288 N289 Y294 A295 I296 F352	W288-V292 WeakPolarHBondContact O-CG2 3.33Å; W288-V292 PolarHBondContact O-N 3.45Å; N289-V292 PolarHBondContact O-N 2.79Å; V292-Y294 PolarHBondContact O-N 3.05Å; V292-A295 PolarHBondContact O-N 3.17Å; V292-A295 VanDerWaalsContact O-N 3.16Å; V292-I296 HydrophobicContact CG1-CD1 3.76Å; V292-I296 HydrophobicContact CG1-CG1 4.33Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 3.16Å; V292-F352 HydrophobicContact CG1-CE2 3.76Å; V292-F352 HydrophobicContact CG1-CZ 4.07Å
293	Y	95.4	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-44.5	175.9	168	-106.6	0	0	0	112.4	N289 A290 I296 S297 W307 Y309 Y326 C327 W330	N289-Y293 WeakPolarHBondContact O-CB 3.4Å; N289-Y293 PolarHBondContact O-N 3.47Å; A290-Y293 PolarHBondContact O-N 2.85Å; Y293-I296 PolarHBondContact O-N 3.18Å; Y293-S297 WeakPolarHBondContact O-CB 3.41Å; Y293-S297 PolarHBondContact O-N 3.11Å; Y293-S297 PolarHBondContact O-OG 3.43Å; Y293-W307 AromaticContact CD2-CH2 3.69Å; Y293-W307 HydrophobicContact CD2-CH2 3.69Å; Y293-W307 AromaticContact CD2-CZ2 3.65Å; Y293-W307 HydrophobicContact CD2-CZ2 3.65Å; Y293-W307 HydrophobicContact CD2-CZ3 4.38Å; Y293-W307 HydrophobicContact CE2-CD2 4.22Å; Y293-W307 AromaticContact CE2-CE2 3.88Å; Y293-W307 HydrophobicContact CE2-CE3 4.33Å; Y293-W307 AromaticContact CE2-CH2 3.82Å; Y293-W307 HydrophobicContact CE2-CH2 3.82Å; Y293-W307 AromaticContact CE2-CZ2 3.67Å; Y293-W307 HydrophobicContact CE2-CZ2 3.67Å; Y293-W307 HydrophobicContact CE2-CZ3 4.15Å; Y293-W307 PolarHBondContact OH-O 3.09Å; Y293-Y309 PolarHBondContact OH-N 2.77Å; Y293-Y326 HydrophobicContact CE1-CD1 4.42Å; Y293-Y326 HydrophobicContact CE1-CE1 4.21Å; Y293-C327 HydrophobicContact CD1-CB 3.98Å; Y293-C327 HydrophobicContact CE1-CB 4.48Å; Y293-W330 HydrophobicContact CD1-CB 4.39Å; Y293-W330 HydrophobicContact CD1-CD2 4.07Å; Y293-W330 AromaticContact CD1-CE3 3.99Å; Y293-W330 HydrophobicContact CD1-CE3 3.99Å; Y293-W330 HydrophobicContact CD1-CG 4.23Å; Y293-W330 AromaticContact CD2-CD2 3.79Å; Y293-W330 HydrophobicContact CD2-CD2 3.79Å; Y293-W330 AromaticContact CD2-CE2 3.84Å; Y293-W330 AromaticContact CD2-CE3 3.75Å; Y293-W330 HydrophobicContact CD2-CE3 3.75Å; Y293-W330 HydrophobicContact CD2-CH2 4Å; Y293-W330 AromaticContact CD2-CZ2 3.97Å; Y293-W330 HydrophobicContact CD2-CZ2 3.97Å; Y293-W330 AromaticContact CD2-CZ3 3.88Å; Y293-W330 HydrophobicContact CD2-CZ3 3.88Å; Y293-W330 HydrophobicContact CE1-CB 4.16Å; Y293-W330 HydrophobicContact CE1-CD2 4.16Å; Y293-W330 AromaticContact CE1-CG 3.95Å; Y293-W330 HydrophobicContact CE1-CG 3.95Å; Y293-W330 AromaticContact CE2-CD2 3.9Å; Y293-W330 HydrophobicContact CE2-CD2 3.9Å; Y293-W330 AromaticContact CE2-CE2 3.74Å; Y293-W330 HydrophobicContact CE2-CE3 4.35Å; Y293-W330 HydrophobicContact CE2-CG 4.27Å; Y293-W330 HydrophobicContact CE2-CZ2 4.15Å; Y293-W330 AromaticContact CE2-NE1 3.89Å; Y293-W330 AromaticContact CG-CD2 3.88Å; Y293-W330 HydrophobicContact CG-CD2 3.88Å; Y293-W330 AromaticContact CG-CE3 3.55Å; Y293-W330 HydrophobicContact CG-CE3 3.55Å; Y293-W330 HydrophobicContact CG-CH2 4.49Å; Y293-W330 AromaticContact CG-CZ3 3.91Å; Y293-W330 HydrophobicContact CG-CZ3 3.91Å; Y293-W330 AromaticContact CZ-CD1 3.95Å; Y293-W330 AromaticContact CZ-CG 3.98Å
294	Y	95.1	Very high	93.9	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-42.9	174.9	-174.1	-94.1	0	0	0	111.8	C163 F164 A290 C291 V292 I296 S297 K298 F302 Y309 E323	C163-Y294 HydrophobicContact CB-CD1 4.27Å; C163-Y294 WeakPolarHBondContact O-CD1 3.3Å; C163-Y294 VanDerWaalsContact O-CE1 3.23Å; C163-Y294 WeakPolarHBondContact O-CE1 3.42Å; F164-Y294 AromaticContact CD1-CD1 3.98Å; F164-Y294 HydrophobicContact CD1-CD1 3.98Å; F164-Y294 HydrophobicContact CD1-CD2 4.22Å; F164-Y294 AromaticContact CD1-CE1 3.86Å; F164-Y294 HydrophobicContact CD1-CE1 3.86Å; F164-Y294 HydrophobicContact CD1-CE2 4.1Å; F164-Y294 HydrophobicContact CD1-CG 4.15Å; F164-Y294 AromaticContact CD1-CZ 3.91Å; F164-Y294 AromaticContact CE1-CD1 3.9Å; F164-Y294 HydrophobicContact CE1-CD1 3.9Å; F164-Y294 AromaticContact CE1-CD2 3.58Å; F164-Y294 HydrophobicContact CE1-CD2 3.58Å; F164-Y294 HydrophobicContact CE1-CE1 4.16Å; F164-Y294 AromaticContact CE1-CE2 3.85Å; F164-Y294 HydrophobicContact CE1-CE2 3.85Å; F164-Y294 AromaticContact CE1-CG 3.59Å; F164-Y294 HydrophobicContact CE1-CG 3.59Å; F164-Y294 HydrophobicContact CG-CD1 4.46Å; F164-Y294 HydrophobicContact CG-CE1 4.45Å; F164-Y294 HydrophobicContact CZ-CD1 4.32Å; F164-Y294 HydrophobicContact CZ-CD2 4.23Å; F164-Y294 AromaticContact CZ-CG 3.91Å; F164-Y294 HydrophobicContact CZ-CG 3.91Å; A290-Y294 PolarHBondContact O-N 3.22Å; C291-Y294 PolarHBondContact O-N 3.15Å; V292-Y294 PolarHBondContact O-N 3.05Å; Y294-I296 PolarHBondContact O-N 2.95Å; Y294-S297 PolarHBondContact O-N 3.48Å; Y294-K298 WeakPolarHBondContact O-CB 3.38Å; Y294-K298 PolarHBondContact O-N 3.06Å; Y294-F302 HydrophobicContact CD2-CE1 4.47Å; Y294-F302 HydrophobicContact CE1-CZ 4.19Å; Y294-F302 HydrophobicContact CE2-CE1 4.04Å; Y294-F302 HydrophobicContact CE2-CZ 4.11Å; Y294-F302 AromaticContact CZ-CZ 3.75Å; Y294-Y309 HydrophobicContact CD2-CG 4.49Å; Y294-Y309 HydrophobicContact CE2-CD1 4.39Å; Y294-Y309 HydrophobicContact CE2-CG 4.48Å; Y294-E323 HydrophobicContact CE2-CB 3.9Å; Y294-E323 HydrophobicContact CE2-CG 4.22Å; Y294-E323 VanDerWaalsContact OH-CD 3.29Å; Y294-E323 PolarHBondContact OH-OE1 3.23Å; Y294-E323 PolarHBondContact OH-OE2 2.75Å
295	A	94.1	Very high	93.8	Very high	39 Å²	39	37.1 Å²	37.1	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-41.7	178.6	0	0	0	0	0	112.5	C163 C291 V292 K298 S299	C163-A295 HydrophobicContact CB-CB 4.45Å; C291-A295 WeakPolarHBondContact O-CB 3.48Å; C291-A295 PolarHBondContact O-N 3.07Å; V292-A295 PolarHBondContact O-N 3.17Å; V292-A295 VanDerWaalsContact O-N 3.16Å; A295-K298 PolarHBondContact O-N 2.99Å; A295-S299 PolarHBondContact O-N 3.5Å
296	I	94.3	Very high	93.6	Very high	40 Å²	40	38.6 Å²	38.6	21%	0.205	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-49.5	174.8	-66.7	170.2	0	0	0	109.7	V292 Y293 Y294 K298 S299 I300 W307 F352	V292-I296 HydrophobicContact CG1-CD1 3.76Å; V292-I296 HydrophobicContact CG1-CG1 4.33Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 3.16Å; Y293-I296 PolarHBondContact O-N 3.18Å; Y294-I296 PolarHBondContact O-N 2.95Å; I296-K298 PolarHBondContact O-N 3Å; I296-S299 PolarHBondContact O-N 3.24Å; I296-S299 PolarHBondContact O-OG 3.46Å; I296-I300 HydrophobicContact CG2-CD1 3.72Å; I296-I300 HydrophobicContact CG2-CG1 4.3Å; I296-I300 WeakPolarHBondContact O-CG1 3.44Å; I296-I300 PolarHBondContact O-N 3.17Å; I296-W307 HydrophobicContact CG2-CH2 4.15Å; I296-W307 HydrophobicContact CG2-CZ3 4.05Å; I296-F352 HydrophobicContact CD1-CB 4.47Å; I296-F352 HydrophobicContact CD1-CD1 4.01Å; I296-F352 HydrophobicContact CD1-CD2 3.48Å; I296-F352 VanDerWaalsContact CD1-CD2 3.48Å; I296-F352 HydrophobicContact CD1-CE1 4.1Å; I296-F352 HydrophobicContact CD1-CE2 3.59Å; I296-F352 HydrophobicContact CD1-CG 3.71Å; I296-F352 HydrophobicContact CD1-CZ 3.9Å
297	S	94.1	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-40.5	176.6	-64.7	0	0	0	0	112.2	Y293 Y294 G301 Y309	Y293-S297 WeakPolarHBondContact O-CB 3.41Å; Y293-S297 PolarHBondContact O-N 3.11Å; Y293-S297 PolarHBondContact O-OG 3.43Å; Y294-S297 PolarHBondContact O-N 3.48Å; S297-G301 CarbonylContact O-C 3.56Å; S297-G301 PolarHBondContact O-N 3.06Å; S297-Y309 PolarHBondContact OG-N 3.08Å; S297-Y309 VanDerWaalsContact OG-N 3.16Å
298	K	91.8	Very high	93.4	Very high	95 Å²	95	37.2 Å²	37.2	41%	0.413	22%	0.221	S	C	.	.	H	α-helix	trans	-65.6	-38.6	175.9	-174.5	179.3	174	-168.9	0	112.6	S165 Y294 A295 I296 F302	S165-K298 PolarHBondContact OG-NZ 3.05Å; Y294-K298 WeakPolarHBondContact O-CB 3.38Å; Y294-K298 PolarHBondContact O-N 3.06Å; A295-K298 PolarHBondContact O-N 2.99Å; I296-K298 PolarHBondContact O-N 3Å; K298-F302 HydrophobicContact CB-CE1 3.81Å; K298-F302 HydrophobicContact CB-CE2 4.24Å; K298-F302 HydrophobicContact CB-CZ 3.46Å; K298-F302 VanDerWaalsContact CB-CZ 3.46Å; K298-F302 HydrophobicContact CD-CZ 4.29Å; K298-F302 HydrophobicContact CG-CE1 4.44Å; K298-F302 HydrophobicContact CG-CE2 3.98Å; K298-F302 HydrophobicContact CG-CZ 3.64Å
299	S	92	Very high	93.3	Very high	97 Å²	97	33.7 Å²	33.7	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-71.2	-34.8	179.7	71.9	0	0	0	0	113.1	A295 I296	A295-S299 PolarHBondContact O-N 3.5Å; I296-S299 PolarHBondContact O-N 3.24Å; I296-S299 PolarHBondContact O-OG 3.46Å
300	I	92.6	Very high	93.1	Very high	28 Å²	28	34.4 Å²	34.4	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-77.7	-36.8	177.1	-63	179.4	0	0	0	110.9	I296 W307 V308 K346 E348 E349	I296-I300 HydrophobicContact CG2-CD1 3.72Å; I296-I300 HydrophobicContact CG2-CG1 4.3Å; I296-I300 WeakPolarHBondContact O-CG1 3.44Å; I296-I300 PolarHBondContact O-N 3.17Å; I300-W307 HydrophobicContact CD1-CZ3 4.42Å; I300-V308 HydrophobicContact CB-CG1 4.15Å; I300-V308 HydrophobicContact CD1-CG1 4.34Å; I300-V308 HydrophobicContact CG2-CG1 3.96Å; I300-K346 HydrophobicContact CG2-CD 4.19Å; I300-E348 HydrophobicContact CD1-CG 4.1Å; I300-E348 WeakPolarHBondContact CD1-OE1 3.32Å; I300-E348 WeakPolarHBondContact CG1-OE1 3.45Å; I300-E349 HydrophobicContact CD1-CG 3.81Å
301	G	92.2	Very high	92.7	Very high	21 Å²	21	38 Å²	38	22%	0.216	23%	0.232	C	C	.	.			trans	115.9	132	-177.7	0	0	0	0	0	111.5	S297 V304	S297-G301 CarbonylContact O-C 3.56Å; S297-G301 PolarHBondContact O-N 3.06Å; G301-V304 VanDerWaalsContact O-CG2 3.3Å; G301-V304 WeakPolarHBondContact O-CG2 3.33Å
302	F	92.7	Very high	92.2	Very high	50 Å²	50	40.2 Å²	40.2	22%	0.219	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	136	-177.8	-58.4	-56.1	0	0	0	112.5	Y294 K298 V304 Y309 I312	Y294-F302 HydrophobicContact CD2-CE1 4.47Å; Y294-F302 HydrophobicContact CE1-CZ 4.19Å; Y294-F302 HydrophobicContact CE2-CE1 4.04Å; Y294-F302 HydrophobicContact CE2-CZ 4.11Å; Y294-F302 AromaticContact CZ-CZ 3.75Å; K298-F302 HydrophobicContact CB-CE1 3.81Å; K298-F302 HydrophobicContact CB-CE2 4.24Å; K298-F302 HydrophobicContact CB-CZ 3.46Å; K298-F302 VanDerWaalsContact CB-CZ 3.46Å; K298-F302 HydrophobicContact CD-CZ 4.29Å; K298-F302 HydrophobicContact CG-CE1 4.44Å; K298-F302 HydrophobicContact CG-CE2 3.98Å; K298-F302 HydrophobicContact CG-CZ 3.64Å; F302-V304 PolarHBondContact O-N 3.36Å; F302-Y309 HydrophobicContact CD1-CD1 4.03Å; F302-Y309 HydrophobicContact CD1-CG 4.46Å; F302-Y309 HydrophobicContact CE1-CD1 4.33Å; F302-I312 HydrophobicContact CB-CG1 4.4Å; F302-I312 HydrophobicContact CD1-CD1 4.37Å; F302-I312 HydrophobicContact CD2-CD1 3.24Å; F302-I312 HydrophobicContact CD2-CG1 3.85Å; F302-I312 HydrophobicContact CE1-CD1 4.29Å; F302-I312 HydrophobicContact CE2-CD1 3.14Å; F302-I312 HydrophobicContact CE2-CG1 4.22Å; F302-I312 HydrophobicContact CG-CD1 3.87Å; F302-I312 HydrophobicContact CG-CG1 4.07Å; F302-I312 HydrophobicContact CZ-CD1 3.69Å
303	G	88.7	Confident	91.7	Very high	38 Å²	38	43 Å²	43	39%	0.392	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	17.4	177.8	0	0	0	0	0	115.7	D305 Y309	G303-D305 VanDerWaalsContact C-N 3.31Å; G303-Y309 PolarHBondContact N-O 2.68Å
304	V	91.5	Very high	91.2	Very high	90 Å²	90	46.5 Å²	46.5	55%	0.545	28%	0.28	S	S	.	.	S	Bend	trans	-69.2	-33.5	176.9	173.2	0	0	0	0	111.3	G301 F302	G301-V304 VanDerWaalsContact O-CG2 3.3Å; G301-V304 WeakPolarHBondContact O-CG2 3.33Å; F302-V304 PolarHBondContact O-N 3.36Å
305	D	91.8	Very high	90.6	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.16	31%	0.314	C	S	.	.	S	Bend	trans	-143.9	-175.9	179.2	56.5	65.6	0	0	0	110.7	G303 W307 V308 V345 K346	G303-D305 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact OD1-N 3.33Å; D305-V308 WeakPolarHBondContact OD1-CG2 3.43Å; D305-V308 PolarHBondContact OD1-N 3.17Å; D305-V345 HydrophobicContact CB-CB 4.2Å; D305-V345 HydrophobicContact CB-CG2 4.01Å; D305-K346 IonicContact OD2-NZ 3.8Å
306	T	89.3	Confident	90.2	Very high	93 Å²	93	54.8 Å²	54.8	57%	0.571	32%	0.322	S	S	*	.	S	Bend	trans	-79	-16.3	-175.9	50.8	0	0	0	0	114.1	P342	T306-P342 WeakPolarHBondContact O-CB 3.41Å
307	W	93.1	Very high	89.8	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	32%	0.322	C	S	.	.	S	Bend	trans	-93.9	-40.8	-174.4	179.5	83.6	0	0	0	112.5	Y293 I296 I300 D305 W330 P344 E349 F352 V353	Y293-W307 AromaticContact CD2-CH2 3.69Å; Y293-W307 HydrophobicContact CD2-CH2 3.69Å; Y293-W307 AromaticContact CD2-CZ2 3.65Å; Y293-W307 HydrophobicContact CD2-CZ2 3.65Å; Y293-W307 HydrophobicContact CD2-CZ3 4.38Å; Y293-W307 HydrophobicContact CE2-CD2 4.22Å; Y293-W307 AromaticContact CE2-CE2 3.88Å; Y293-W307 HydrophobicContact CE2-CE3 4.33Å; Y293-W307 AromaticContact CE2-CH2 3.82Å; Y293-W307 HydrophobicContact CE2-CH2 3.82Å; Y293-W307 AromaticContact CE2-CZ2 3.67Å; Y293-W307 HydrophobicContact CE2-CZ2 3.67Å; Y293-W307 HydrophobicContact CE2-CZ3 4.15Å; Y293-W307 PolarHBondContact OH-O 3.09Å; I296-W307 HydrophobicContact CG2-CH2 4.15Å; I296-W307 HydrophobicContact CG2-CZ3 4.05Å; I300-W307 HydrophobicContact CD1-CZ3 4.42Å; D305-W307 PolarHBondContact OD1-N 3.33Å; W307-W330 AromaticContact CE2-CZ2 3.92Å; W307-W330 HydrophobicContact CZ2-CH2 4.13Å; W307-W330 AromaticContact CZ2-CZ2 3.76Å; W307-W330 HydrophobicContact CZ2-CZ2 3.76Å; W307-W330 AromaticContact NE1-CZ2 3.59Å; W307-W330 AromaticContact NE1-NE1 3.97Å; W307-P344 HydrophobicContact CG-CB 4.29Å; W307-E349 HydrophobicContact CD2-CB 4.13Å; W307-E349 HydrophobicContact CD2-CG 4.17Å; W307-E349 HydrophobicContact CE3-CB 3.94Å; W307-E349 HydrophobicContact CE3-CG 3.5Å; W307-E349 HydrophobicContact CZ3-CB 4.15Å; W307-E349 HydrophobicContact CZ3-CG 3.7Å; W307-F352 AromaticContact CH2-CD1 3.63Å; W307-F352 HydrophobicContact CH2-CD1 3.63Å; W307-F352 AromaticContact CH2-CE1 3.97Å; W307-F352 HydrophobicContact CH2-CE1 3.97Å; W307-F352 AromaticContact CZ2-CD1 3.61Å; W307-F352 HydrophobicContact CZ2-CD1 3.61Å; W307-F352 AromaticContact CZ2-CE1 3.87Å; W307-F352 HydrophobicContact CZ2-CE1 3.87Å; W307-V353 HydrophobicContact CZ2-CG2 3.84Å
308	V	94.2	Very high	89.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	34%	0.336	C	S	.	.	S	Bend	trans	-63.4	159.9	177.2	-63.2	0	0	0	0	111.8	I300 D305	I300-V308 HydrophobicContact CB-CG1 4.15Å; I300-V308 HydrophobicContact CD1-CG1 4.34Å; I300-V308 HydrophobicContact CG2-CG1 3.96Å; D305-V308 WeakPolarHBondContact OD1-CG2 3.43Å; D305-V308 PolarHBondContact OD1-N 3.17Å
309	Y	93.3	Very high	89	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-52.1	136.6	174.1	-176.1	-97.8	0	0	0	111.5	Y293 Y294 S297 F302 G303 I312 Y317 E323 Y326	Y293-Y309 PolarHBondContact OH-N 2.77Å; Y294-Y309 HydrophobicContact CD2-CG 4.49Å; Y294-Y309 HydrophobicContact CE2-CD1 4.39Å; Y294-Y309 HydrophobicContact CE2-CG 4.48Å; S297-Y309 PolarHBondContact OG-N 3.08Å; S297-Y309 VanDerWaalsContact OG-N 3.16Å; F302-Y309 HydrophobicContact CD1-CD1 4.03Å; F302-Y309 HydrophobicContact CD1-CG 4.46Å; F302-Y309 HydrophobicContact CE1-CD1 4.33Å; G303-Y309 PolarHBondContact N-O 2.68Å; Y309-I312 HydrophobicContact CD1-CG1 4.17Å; Y309-I312 HydrophobicContact CE1-CG1 3.93Å; Y309-Y317 PolarHBondContact OH-O 2.84Å; Y309-E323 HydrophobicContact CE1-CG 4.11Å; Y309-E323 HydrophobicContact CE2-CB 4.46Å; Y309-E323 WeakPolarHBondContact OH-CA 3.36Å; Y309-E323 PolarHBondContact OH-N 2.59Å; Y309-Y326 AromaticContact CD2-CD1 3.56Å; Y309-Y326 HydrophobicContact CD2-CD1 3.56Å; Y309-Y326 HydrophobicContact CD2-CE1 4.09Å; Y309-Y326 HydrophobicContact CD2-CG 4.2Å; Y309-Y326 AromaticContact CE2-CD1 3.76Å; Y309-Y326 HydrophobicContact CE2-CD1 3.76Å; Y309-Y326 AromaticContact CE2-CG 3.92Å; Y309-Y326 HydrophobicContact CE2-CG 3.92Å
310	P	91.3	Very high	88.9	Confident	30 Å²	30	55.9 Å²	55.9	20%	0.195	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-55	161.2	-179.8	-27.9	35.7	0	0	0	114	I312 Y317	P310-I312 PolarHBondContact O-N 2.85Å; P310-Y317 HydrophobicContact CB-CD1 3.85Å; P310-Y317 HydrophobicContact CB-CD2 4.04Å; P310-Y317 HydrophobicContact CB-CE1 4.24Å; P310-Y317 HydrophobicContact CB-CE2 4.44Å; P310-Y317 HydrophobicContact CB-CG 3.75Å; P310-Y317 HydrophobicContact CG-CD1 3.85Å; P310-Y317 HydrophobicContact CG-CE1 3.94Å; P310-Y317 HydrophobicContact CG-CG 4.28Å
311	N	88.9	Confident	88.8	Confident	75 Å²	75	57 Å²	57	40%	0.401	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-64.3	120.6	-176.9	-168.6	-14.7	0	0	0	111.8	T313 D314	N311-T313 PolarHBondContact ND2-OG1 2.89Å; N311-T313 PolarHBondContact O-N 3.01Å; N311-T313 PolarHBondContact OD1-N 3.48Å; N311-T313 PolarHBondContact OD1-OG1 2.99Å; N311-D314 WeakPolarHBondContact O-CB 3.32Å; N311-D314 PolarHBondContact O-N 3.46Å; N311-D314 VanDerWaalsContact O-N 3.1Å
312	I	84.9	Confident	88.8	Confident	47 Å²	47	59.3 Å²	59.3	24%	0.241	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.3	179.8	-59.9	179.8	0	0	0	112.2	F302 Y309 P310 D314 G318 E323	F302-I312 HydrophobicContact CB-CG1 4.4Å; F302-I312 HydrophobicContact CD1-CD1 4.37Å; F302-I312 HydrophobicContact CD2-CD1 3.24Å; F302-I312 HydrophobicContact CD2-CG1 3.85Å; F302-I312 HydrophobicContact CE1-CD1 4.29Å; F302-I312 HydrophobicContact CE2-CD1 3.14Å; F302-I312 HydrophobicContact CE2-CG1 4.22Å; F302-I312 HydrophobicContact CG-CD1 3.87Å; F302-I312 HydrophobicContact CG-CG1 4.07Å; F302-I312 HydrophobicContact CZ-CD1 3.69Å; Y309-I312 HydrophobicContact CD1-CG1 4.17Å; Y309-I312 HydrophobicContact CE1-CG1 3.93Å; P310-I312 PolarHBondContact O-N 2.85Å; I312-D314 PolarHBondContact O-N 3.34Å; I312-G318 VanDerWaalsContact O-CA 3.27Å; I312-G318 WeakPolarHBondContact O-CA 3.44Å; I312-E323 WeakPolarHBondContact CD1-OE1 3.38Å
313	T	84	Confident	88.8	Confident	118 Å²	118	56.9 Å²	56.9	72%	0.724	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19	176.6	61.5	0	0	0	0	113.1	N311 P315	N311-T313 PolarHBondContact ND2-OG1 2.89Å; N311-T313 PolarHBondContact O-N 3.01Å; N311-T313 PolarHBondContact OD1-N 3.48Å; N311-T313 PolarHBondContact OD1-OG1 2.99Å; T313-P315 WeakPolarHBondContact O-CD 3.3Å
314	D	85.7	Confident	89.1	Confident	74 Å²	74	58.6 Å²	58.6	40%	0.396	32%	0.321	S	S	.	.	S	Bend	trans	-73.2	122.4	171.4	-168.1	-29.1	0	0	0	109.7	N311 I312 E316 Y317 G318	N311-D314 WeakPolarHBondContact O-CB 3.32Å; N311-D314 PolarHBondContact O-N 3.46Å; N311-D314 VanDerWaalsContact O-N 3.1Å; I312-D314 PolarHBondContact O-N 3.34Å; D314-E316 PolarHBondContact O-N 3.06Å; D314-E316 PolarHBondContact OD1-N 2.56Å; D314-Y317 HydrophobicContact CB-CD2 4.12Å; D314-Y317 PolarHBondContact O-N 2.85Å; D314-G318 PolarHBondContact O-N 2.76Å
315	P	83	Confident	89.2	Confident	116 Å²	116	59 Å²	59	75%	0.753	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-25.7	177.3	-25.4	33.7	0	0	0	114.4	T313 Y317	T313-P315 WeakPolarHBondContact O-CD 3.3Å; P315-Y317 VanDerWaalsContact C-N 3.34Å
316	E	85.3	Confident	89.3	Confident	105 Å²	105	59.6 Å²	59.6	49%	0.491	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.1	177.4	-170.6	179.7	166.1	0	0	112.6	D314 Y319 R322	D314-E316 PolarHBondContact O-N 3.06Å; D314-E316 PolarHBondContact OD1-N 2.56Å; E316-Y319 WeakPolarHBondContact O-CE1 3.34Å; E316-R322 WeakPolarHBondContact O-CG 3.42Å; E316-R322 IonicContact OE1-NH2 2.74Å
317	Y	85.2	Confident	89.6	Confident	49 Å²	49	55.1 Å²	55.1	19%	0.192	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-4.8	-172.6	-62	-80.8	0	0	0	113.9	Y309 P310 D314 P315 Y319 R322	Y309-Y317 PolarHBondContact OH-O 2.84Å; P310-Y317 HydrophobicContact CB-CD1 3.85Å; P310-Y317 HydrophobicContact CB-CD2 4.04Å; P310-Y317 HydrophobicContact CB-CE1 4.24Å; P310-Y317 HydrophobicContact CB-CE2 4.44Å; P310-Y317 HydrophobicContact CB-CG 3.75Å; P310-Y317 HydrophobicContact CG-CD1 3.85Å; P310-Y317 HydrophobicContact CG-CE1 3.94Å; P310-Y317 HydrophobicContact CG-CG 4.28Å; D314-Y317 HydrophobicContact CB-CD2 4.12Å; D314-Y317 PolarHBondContact O-N 2.85Å; P315-Y317 VanDerWaalsContact C-N 3.34Å; Y317-Y319 PolarHBondContact O-N 3.29Å; Y317-R322 HydrophobicContact CD1-CG 4.26Å
318	G	82	Confident	89.7	Confident	30 Å²	30	57.6 Å²	57.6	31%	0.309	30%	0.304	S	S	.	.			trans	-85.6	0	-170.9	0	0	0	0	0	117.5	I312 D314	I312-G318 VanDerWaalsContact O-CA 3.27Å; I312-G318 WeakPolarHBondContact O-CA 3.44Å; D314-G318 PolarHBondContact O-N 2.76Å
319	Y	87.9	Confident	89.6	Confident	129 Å²	129	63.6 Å²	63.6	51%	0.506	33%	0.328	S	S	.	.	S	Bend	trans	-105.9	140	-179.2	66.2	-86.4	0	0	0	112.7	E316 Y317 A321 R322 E323	E316-Y319 WeakPolarHBondContact O-CE1 3.34Å; Y317-Y319 PolarHBondContact O-N 3.29Å; Y319-A321 VanDerWaalsContact C-N 3.28Å; Y319-A321 HydrophobicContact CD2-CB 3.92Å; Y319-A321 HydrophobicContact CE2-CB 3.96Å; Y319-A321 PolarHBondContact O-N 2.75Å; Y319-R322 HydrophobicContact CD1-CB 4.03Å; Y319-R322 HydrophobicContact CD2-CB 3.96Å; Y319-R322 HydrophobicContact CE1-CB 3.72Å; Y319-R322 HydrophobicContact CE1-CG 4.33Å; Y319-R322 HydrophobicContact CE2-CB 3.64Å; Y319-R322 HydrophobicContact CG-CB 4.15Å; Y319-R322 WeakPolarHBondContact O-CA 3.46Å; Y319-R322 VanDerWaalsContact O-CB 3.32Å; Y319-R322 WeakPolarHBondContact O-CB 3.43Å; Y319-R322 PolarHBondContact O-N 2.73Å; Y319-E323 PolarHBondContact O-N 2.8Å
320	L	89.2	Confident	89.7	Confident	46 Å²	46	63.8 Å²	63.8	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-47.8	-41.7	-172	178.9	65	0	0	0	115.1	F164 L167 R322 E323 Y324	F164-L320 HydrophobicContact CB-CD1 3.87Å; F164-L320 HydrophobicContact CD1-CD1 4.19Å; F164-L320 HydrophobicContact CG-CD1 4.29Å; L167-L320 HydrophobicContact CB-CD1 4.13Å; L167-L320 HydrophobicContact CB-CD2 3.98Å; L167-L320 HydrophobicContact CD1-CD2 3.9Å; L320-R322 VanDerWaalsContact C-N 3.33Å; L320-R322 PolarHBondContact O-N 2.94Å; L320-E323 PolarHBondContact O-N 2.84Å; L320-Y324 PolarHBondContact O-N 2.62Å; L320-Y324 VanDerWaalsContact O-N 3.11Å
321	A	91.2	Very high	89.8	Confident	53 Å²	53	62.3 Å²	62.3	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-36.7	179.5	0	0	0	0	0	112	Y319 I325	Y319-A321 VanDerWaalsContact C-N 3.28Å; Y319-A321 HydrophobicContact CD2-CB 3.92Å; Y319-A321 HydrophobicContact CE2-CB 3.96Å; Y319-A321 PolarHBondContact O-N 2.75Å; A321-I325 VanDerWaalsContact O-CB 3.28Å; A321-I325 WeakPolarHBondContact O-CB 3.42Å; A321-I325 WeakPolarHBondContact O-CD1 3.36Å; A321-I325 WeakPolarHBondContact O-CG1 3.47Å; A321-I325 PolarHBondContact O-N 2.97Å
322	R	92	Very high	90	Very high	68 Å²	68	61.1 Å²	61.1	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-66.6	-44.9	175.6	-174.8	60.1	164	172.3	-2.7	111.4	E316 Y317 Y319 L320 Y324 I325 Y326	E316-R322 WeakPolarHBondContact O-CG 3.42Å; E316-R322 IonicContact OE1-NH2 2.74Å; Y317-R322 HydrophobicContact CD1-CG 4.26Å; Y319-R322 HydrophobicContact CD1-CB 4.03Å; Y319-R322 HydrophobicContact CD2-CB 3.96Å; Y319-R322 HydrophobicContact CE1-CB 3.72Å; Y319-R322 HydrophobicContact CE1-CG 4.33Å; Y319-R322 HydrophobicContact CE2-CB 3.64Å; Y319-R322 HydrophobicContact CG-CB 4.15Å; Y319-R322 WeakPolarHBondContact O-CA 3.46Å; Y319-R322 VanDerWaalsContact O-CB 3.32Å; Y319-R322 WeakPolarHBondContact O-CB 3.43Å; Y319-R322 PolarHBondContact O-N 2.73Å; L320-R322 VanDerWaalsContact C-N 3.33Å; L320-R322 PolarHBondContact O-N 2.94Å; R322-Y324 VanDerWaalsContact C-N 3.33Å; R322-Y324 PolarHBondContact O-N 3.21Å; R322-I325 PolarHBondContact O-N 3.35Å; R322-Y326 VanDerWaalsContact O-CB 3.24Å; R322-Y326 WeakPolarHBondContact O-CB 3.5Å; R322-Y326 PolarHBondContact O-N 3.06Å
323	E	92	Very high	90.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54.7	-52.7	178.4	-57.5	-176.2	129.6	0	0	110.4	F164 Y294 Y309 I312 Y319 L320 C327	F164-E323 HydrophobicContact CD1-CB 4.14Å; F164-E323 HydrophobicContact CE1-CB 3.86Å; Y294-E323 HydrophobicContact CE2-CB 3.9Å; Y294-E323 HydrophobicContact CE2-CG 4.22Å; Y294-E323 VanDerWaalsContact OH-CD 3.29Å; Y294-E323 PolarHBondContact OH-OE1 3.23Å; Y294-E323 PolarHBondContact OH-OE2 2.75Å; Y309-E323 HydrophobicContact CE1-CG 4.11Å; Y309-E323 HydrophobicContact CE2-CB 4.46Å; Y309-E323 WeakPolarHBondContact OH-CA 3.36Å; Y309-E323 PolarHBondContact OH-N 2.59Å; I312-E323 WeakPolarHBondContact CD1-OE1 3.38Å; Y319-E323 PolarHBondContact O-N 2.8Å; L320-E323 PolarHBondContact O-N 2.84Å; E323-C327 WeakPolarHBondContact O-CB 2.9Å; E323-C327 PolarHBondContact O-N 3.16Å; E323-C327 VanDerWaalsContact O-N 3.11Å; E323-C327 PolarHBondContact O-SG 3.16Å
324	Y	94.7	Very high	90.7	Very high	74 Å²	74	54 Å²	54	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-47.5	-179.7	-178	-102.2	0	0	0	112.7	F164 H287 L320 R322 Y326 C327 L328	F164-Y324 HydrophobicContact CD2-CD2 4.41Å; F164-Y324 AromaticContact CE2-CD2 3.7Å; F164-Y324 HydrophobicContact CE2-CD2 3.7Å; F164-Y324 HydrophobicContact CE2-CE2 4.41Å; F164-Y324 AromaticContact CZ-CD2 3.83Å; F164-Y324 HydrophobicContact CZ-CD2 3.83Å; H287-Y324 AromaticContact CE1-CE2 3.72Å; H287-Y324 AromaticContact ND1-CE2 3.48Å; H287-Y324 WeakPolarHBondContact ND1-CE2 3.42Å; H287-Y324 AromaticContact ND1-CZ 3.6Å; H287-Y324 PolarHBondContact ND1-OH 3.45Å; L320-Y324 PolarHBondContact O-N 2.62Å; L320-Y324 VanDerWaalsContact O-N 3.11Å; R322-Y324 VanDerWaalsContact C-N 3.33Å; R322-Y324 PolarHBondContact O-N 3.21Å; Y324-Y326 VanDerWaalsContact C-N 3.35Å; Y324-Y326 PolarHBondContact O-N 2.94Å; Y324-C327 PolarHBondContact O-N 3.49Å; Y324-L328 HydrophobicContact CE1-CD2 4.12Å; Y324-L328 VanDerWaalsContact O-CB 3.28Å; Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.11Å
325	I	94.9	Very high	91	Very high	98 Å²	98	51.1 Å²	51.1	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-40.7	-177.6	-70.3	167	0	0	0	111.2	A321 R322 L328 Y329	A321-I325 VanDerWaalsContact O-CB 3.28Å; A321-I325 WeakPolarHBondContact O-CB 3.42Å; A321-I325 WeakPolarHBondContact O-CD1 3.36Å; A321-I325 WeakPolarHBondContact O-CG1 3.47Å; A321-I325 PolarHBondContact O-N 2.97Å; R322-I325 PolarHBondContact O-N 3.35Å; I325-L328 PolarHBondContact O-N 3.48Å; I325-Y329 VanDerWaalsContact O-CB 3.31Å; I325-Y329 WeakPolarHBondContact O-CB 3.49Å; I325-Y329 PolarHBondContact O-N 3.08Å
326	Y	93.4	Very high	91.3	Very high	42 Å²	42	47.1 Å²	47.1	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-47.3	177.9	-178.9	-84.8	0	0	0	111.4	Y293 Y309 R322 Y324 L328 Y329 W330	Y293-Y326 HydrophobicContact CE1-CD1 4.42Å; Y293-Y326 HydrophobicContact CE1-CE1 4.21Å; Y309-Y326 AromaticContact CD2-CD1 3.56Å; Y309-Y326 HydrophobicContact CD2-CD1 3.56Å; Y309-Y326 HydrophobicContact CD2-CE1 4.09Å; Y309-Y326 HydrophobicContact CD2-CG 4.2Å; Y309-Y326 AromaticContact CE2-CD1 3.76Å; Y309-Y326 HydrophobicContact CE2-CD1 3.76Å; Y309-Y326 AromaticContact CE2-CG 3.92Å; Y309-Y326 HydrophobicContact CE2-CG 3.92Å; R322-Y326 VanDerWaalsContact O-CB 3.24Å; R322-Y326 WeakPolarHBondContact O-CB 3.5Å; R322-Y326 PolarHBondContact O-N 3.06Å; Y324-Y326 VanDerWaalsContact C-N 3.35Å; Y324-Y326 PolarHBondContact O-N 2.94Å; Y326-L328 VanDerWaalsContact C-N 3.3Å; Y326-L328 PolarHBondContact O-N 3.04Å; Y326-Y329 WeakPolarHBondContact O-CB 3.49Å; Y326-Y329 PolarHBondContact O-N 2.72Å; Y326-W330 WeakPolarHBondContact O-CB 3.38Å; Y326-W330 PolarHBondContact O-N 3.27Å
327	C	94.6	Very high	91.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-36.7	178	-65.9	0	0	0	0	111.9	A290 Y293 E323 Y324 W330 S331	A290-C327 HydrophobicContact CB-CB 4.14Å; A290-C327 WeakPolarHBondContact CB-O 3.36Å; Y293-C327 HydrophobicContact CD1-CB 3.98Å; Y293-C327 HydrophobicContact CE1-CB 4.48Å; E323-C327 WeakPolarHBondContact O-CB 2.9Å; E323-C327 PolarHBondContact O-N 3.16Å; E323-C327 VanDerWaalsContact O-N 3.11Å; E323-C327 PolarHBondContact O-SG 3.16Å; Y324-C327 PolarHBondContact O-N 3.49Å; C327-W330 PolarHBondContact O-N 3.48Å; C327-S331 VanDerWaalsContact O-CB 3.3Å; C327-S331 WeakPolarHBondContact O-CB 3.42Å; C327-S331 PolarHBondContact O-N 2.98Å
328	L	95.3	Very high	91.6	Very high	52 Å²	52	48.2 Å²	48.2	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-41.1	174.3	-166.1	75	0	0	0	111.7	I286 A290 Y324 I325 Y326 T332	I286-L328 HydrophobicContact CG2-CD1 3.74Å; I286-L328 HydrophobicContact CG2-CG 4.35Å; A290-L328 HydrophobicContact CB-CB 4.47Å; A290-L328 HydrophobicContact CB-CD1 4.24Å; Y324-L328 HydrophobicContact CE1-CD2 4.12Å; Y324-L328 VanDerWaalsContact O-CB 3.28Å; Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.11Å; I325-L328 PolarHBondContact O-N 3.48Å; Y326-L328 VanDerWaalsContact C-N 3.3Å; Y326-L328 PolarHBondContact O-N 3.04Å; L328-T332 WeakPolarHBondContact O-CB 3.27Å; L328-T332 PolarHBondContact O-N 2.79Å; L328-T332 PolarHBondContact O-OG1 2.66Å
329	Y	93.8	Very high	91	Very high	129 Å²	129	48.6 Å²	48.6	51%	0.506	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-50.2	174.1	170.9	-103.3	0	0	0	111.4	I325 Y326 S331 T332 L333	I325-Y329 VanDerWaalsContact O-CB 3.31Å; I325-Y329 WeakPolarHBondContact O-CB 3.49Å; I325-Y329 PolarHBondContact O-N 3.08Å; Y326-Y329 WeakPolarHBondContact O-CB 3.49Å; Y326-Y329 PolarHBondContact O-N 2.72Å; Y329-S331 PolarHBondContact O-N 3.42Å; Y329-T332 PolarHBondContact O-N 3.43Å; Y329-L333 HydrophobicContact CD1-CD1 4.19Å; Y329-L333 HydrophobicContact CE1-CD1 3.52Å; Y329-L333 HydrophobicContact CE1-CG 4.46Å; Y329-L333 HydrophobicContact CE2-CD1 3.96Å; Y329-L333 HydrophobicContact CE2-CG 4.2Å; Y329-L333 VanDerWaalsContact CZ-CD1 3.4Å; Y329-L333 PolarHBondContact O-N 2.94Å
330	W	93.9	Very high	90.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-51.8	176	-176.5	96.2	0	0	0	111	Y293 W307 Y326 C327 T332 L333 T334 T341 F352 V353	Y293-W330 HydrophobicContact CD1-CB 4.39Å; Y293-W330 HydrophobicContact CD1-CD2 4.07Å; Y293-W330 AromaticContact CD1-CE3 3.99Å; Y293-W330 HydrophobicContact CD1-CE3 3.99Å; Y293-W330 HydrophobicContact CD1-CG 4.23Å; Y293-W330 AromaticContact CD2-CD2 3.79Å; Y293-W330 HydrophobicContact CD2-CD2 3.79Å; Y293-W330 AromaticContact CD2-CE2 3.84Å; Y293-W330 AromaticContact CD2-CE3 3.75Å; Y293-W330 HydrophobicContact CD2-CE3 3.75Å; Y293-W330 HydrophobicContact CD2-CH2 4Å; Y293-W330 AromaticContact CD2-CZ2 3.97Å; Y293-W330 HydrophobicContact CD2-CZ2 3.97Å; Y293-W330 AromaticContact CD2-CZ3 3.88Å; Y293-W330 HydrophobicContact CD2-CZ3 3.88Å; Y293-W330 HydrophobicContact CE1-CB 4.16Å; Y293-W330 HydrophobicContact CE1-CD2 4.16Å; Y293-W330 AromaticContact CE1-CG 3.95Å; Y293-W330 HydrophobicContact CE1-CG 3.95Å; Y293-W330 AromaticContact CE2-CD2 3.9Å; Y293-W330 HydrophobicContact CE2-CD2 3.9Å; Y293-W330 AromaticContact CE2-CE2 3.74Å; Y293-W330 HydrophobicContact CE2-CE3 4.35Å; Y293-W330 HydrophobicContact CE2-CG 4.27Å; Y293-W330 HydrophobicContact CE2-CZ2 4.15Å; Y293-W330 AromaticContact CE2-NE1 3.89Å; Y293-W330 AromaticContact CG-CD2 3.88Å; Y293-W330 HydrophobicContact CG-CD2 3.88Å; Y293-W330 AromaticContact CG-CE3 3.55Å; Y293-W330 HydrophobicContact CG-CE3 3.55Å; Y293-W330 HydrophobicContact CG-CH2 4.49Å; Y293-W330 AromaticContact CG-CZ3 3.91Å; Y293-W330 HydrophobicContact CG-CZ3 3.91Å; Y293-W330 AromaticContact CZ-CD1 3.95Å; Y293-W330 AromaticContact CZ-CG 3.98Å; W307-W330 AromaticContact CE2-CZ2 3.92Å; W307-W330 HydrophobicContact CZ2-CH2 4.13Å; W307-W330 AromaticContact CZ2-CZ2 3.76Å; W307-W330 HydrophobicContact CZ2-CZ2 3.76Å; W307-W330 AromaticContact NE1-CZ2 3.59Å; W307-W330 AromaticContact NE1-NE1 3.97Å; Y326-W330 WeakPolarHBondContact O-CB 3.38Å; Y326-W330 PolarHBondContact O-N 3.27Å; C327-W330 PolarHBondContact O-N 3.48Å; W330-T332 VanDerWaalsContact C-N 3.31Å; W330-T332 PolarHBondContact O-N 3.26Å; W330-L333 PolarHBondContact O-N 3.24Å; W330-L333 VanDerWaalsContact O-N 3.16Å; W330-T334 HydrophobicContact CH2-CG2 4.12Å; W330-T334 PolarHBondContact O-N 3.17Å; W330-T334 PolarHBondContact O-OG1 3.29Å; W330-T334 VanDerWaalsContact O-OG1 3.06Å; W330-T341 HydrophobicContact CG-CG2 4.23Å; W330-F352 AromaticContact CH2-CE1 3.73Å; W330-F352 HydrophobicContact CH2-CE1 3.73Å; W330-F352 HydrophobicContact CZ3-CE1 4.17Å; W330-V353 HydrophobicContact CZ2-CG2 4.38Å
331	S	94.3	Very high	90.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-38.4	-179.2	-176.1	0	0	0	0	112.8	I286 N289 A290 C327 Y329 T334 L335	I286-S331 PolarHBondContact O-OG 3.17Å; I286-S331 VanDerWaalsContact O-OG 3.07Å; N289-S331 VanDerWaalsContact CB-OG 3.23Å; N289-S331 WeakPolarHBondContact CB-OG 3.33Å; N289-S331 PolarHBondContact ND2-OG 2.82Å; A290-S331 PolarHBondContact N-OG 2.85Å; C327-S331 VanDerWaalsContact O-CB 3.3Å; C327-S331 WeakPolarHBondContact O-CB 3.42Å; C327-S331 PolarHBondContact O-N 2.98Å; Y329-S331 PolarHBondContact O-N 3.42Å; S331-T334 PolarHBondContact O-N 2.89Å; S331-L335 WeakPolarHBondContact O-CB 3.06Å; S331-L335 WeakPolarHBondContact O-CG 3.44Å; S331-L335 PolarHBondContact O-N 2.87Å
332	T	93	Very high	90	Very high	50 Å²	50	48.2 Å²	48.2	31%	0.307	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-47.5	175.9	-57.7	0	0	0	0	110.4	I286 L328 Y329 W330 T334 T336	I286-T332 WeakPolarHBondContact CG2-OG1 3.38Å; L328-T332 WeakPolarHBondContact O-CB 3.27Å; L328-T332 PolarHBondContact O-N 2.79Å; L328-T332 PolarHBondContact O-OG1 2.66Å; Y329-T332 PolarHBondContact O-N 3.43Å; W330-T332 VanDerWaalsContact C-N 3.31Å; W330-T332 PolarHBondContact O-N 3.26Å; T332-T334 PolarHBondContact O-N 3.28Å; T332-T336 HydrophobicContact CG2-CG2 4.2Å; T332-T336 VanDerWaalsContact O-CB 3.27Å; T332-T336 WeakPolarHBondContact O-CB 3.41Å; T332-T336 VanDerWaalsContact O-CG2 3.26Å; T332-T336 WeakPolarHBondContact O-CG2 3.49Å; T332-T336 PolarHBondContact O-N 3.38Å; T332-T336 PolarHBondContact O-OG1 3.31Å
333	L	92.2	Very high	89.8	Confident	15 Å²	15	49.1 Å²	49.1	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-40.1	179.1	-72	179.6	0	0	0	112.9	Y329 W330 T337 I338 G339 T341	Y329-L333 HydrophobicContact CD1-CD1 4.19Å; Y329-L333 HydrophobicContact CE1-CD1 3.52Å; Y329-L333 HydrophobicContact CE1-CG 4.46Å; Y329-L333 HydrophobicContact CE2-CD1 3.96Å; Y329-L333 HydrophobicContact CE2-CG 4.2Å; Y329-L333 VanDerWaalsContact CZ-CD1 3.4Å; Y329-L333 PolarHBondContact O-N 2.94Å; W330-L333 PolarHBondContact O-N 3.24Å; W330-L333 VanDerWaalsContact O-N 3.16Å; L333-T337 PolarHBondContact O-N 2.93Å; L333-I338 HydrophobicContact CD2-CB 3.95Å; L333-I338 HydrophobicContact CD2-CD1 4.33Å; L333-I338 HydrophobicContact CD2-CG2 3.89Å; L333-I338 PolarHBondContact O-N 3.35Å; L333-I338 VanDerWaalsContact O-N 3.13Å; L333-G339 PolarHBondContact O-N 2.9Å; L333-T341 HydrophobicContact CB-CG2 3.92Å; L333-T341 HydrophobicContact CD1-CG2 4.2Å
334	T	91.9	Very high	89.8	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-51.5	179.7	-49.5	0	0	0	0	111.2	W330 S331 T332 T336 T337 D356 F357	W330-T334 HydrophobicContact CH2-CG2 4.12Å; W330-T334 PolarHBondContact O-N 3.17Å; W330-T334 PolarHBondContact O-OG1 3.29Å; W330-T334 VanDerWaalsContact O-OG1 3.06Å; S331-T334 PolarHBondContact O-N 2.89Å; T332-T334 PolarHBondContact O-N 3.28Å; T334-T336 PolarHBondContact O-N 3.26Å; T334-T337 PolarHBondContact O-N 3.17Å; T334-T337 VanDerWaalsContact O-N 3.13Å; T334-D356 HydrophobicContact CG2-CB 4.4Å; T334-D356 WeakPolarHBondContact CG2-OD2 3.48Å; T334-F357 HydrophobicContact CG2-CD1 4.03Å; T334-F357 HydrophobicContact CG2-CE1 3.8Å; T334-F357 HydrophobicContact CG2-CZ 4.1Å
335	L	91.1	Very high	89.8	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-72.5	-26.6	-176.6	-69.3	175.7	0	0	0	113.9	I285 I286 N289 S331 T337 D356	I285-L335 HydrophobicContact CG2-CD1 3.99Å; I286-L335 HydrophobicContact CB-CD1 4.42Å; I286-L335 HydrophobicContact CG1-CD1 3.9Å; N289-L335 HydrophobicContact CB-CD1 3.82Å; N289-L335 WeakPolarHBondContact ND2-CG 3.47Å; S331-L335 WeakPolarHBondContact O-CB 3.06Å; S331-L335 WeakPolarHBondContact O-CG 3.44Å; S331-L335 PolarHBondContact O-N 2.87Å; L335-T337 VanDerWaalsContact C-N 3.29Å; L335-D356 WeakPolarHBondContact CD2-OD1 3.46Å
336	T	89.7	Confident	89.7	Confident	32 Å²	32	49 Å²	49	20%	0.196	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.6	173.4	61.5	0	0	0	0	113	T332 T334 I338 F364	T332-T336 HydrophobicContact CG2-CG2 4.2Å; T332-T336 VanDerWaalsContact O-CB 3.27Å; T332-T336 WeakPolarHBondContact O-CB 3.41Å; T332-T336 VanDerWaalsContact O-CG2 3.26Å; T332-T336 WeakPolarHBondContact O-CG2 3.49Å; T332-T336 PolarHBondContact O-N 3.38Å; T332-T336 PolarHBondContact O-OG1 3.31Å; T334-T336 PolarHBondContact O-N 3.26Å; T336-I338 PolarHBondContact O-N 2.94Å; T336-I338 WeakPolarHBondContact OG1-CD1 3.45Å; T336-I338 WeakPolarHBondContact OG1-CG1 3.39Å; T336-F364 HydrophobicContact CG2-CE2 4.45Å
337	T	87.7	Confident	89.7	Confident	67 Å²	67	53.4 Å²	53.4	41%	0.411	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	21	176.7	69.1	0	0	0	0	114.6	L333 T334 L335 V361	L333-T337 PolarHBondContact O-N 2.93Å; T334-T337 PolarHBondContact O-N 3.17Å; T334-T337 VanDerWaalsContact O-N 3.13Å; L335-T337 VanDerWaalsContact C-N 3.29Å; T337-V361 HydrophobicContact CG2-CG2 3.6Å
338	I	88.1	Confident	89.5	Confident	111 Å²	111	58.6 Å²	58.6	57%	0.569	32%	0.317	S	S	*	.			trans	-72.6	-35.8	175.2	-61.4	171.6	0	0	0	110.1	L333 T336 E340	L333-I338 HydrophobicContact CD2-CB 3.95Å; L333-I338 HydrophobicContact CD2-CD1 4.33Å; L333-I338 HydrophobicContact CD2-CG2 3.89Å; L333-I338 PolarHBondContact O-N 3.35Å; L333-I338 VanDerWaalsContact O-N 3.13Å; T336-I338 PolarHBondContact O-N 2.94Å; T336-I338 WeakPolarHBondContact OG1-CD1 3.45Å; T336-I338 WeakPolarHBondContact OG1-CG1 3.39Å; I338-E340 PolarHBondContact O-N 3.21Å
339	G	69.3	Low	89.5	Confident	37 Å²	37	56.1 Å²	56.1	38%	0.381	30%	0.304	S	S	.	.			trans	78.4	12.4	158.3	0	0	0	0	0	118.1	L333 T341	L333-G339 PolarHBondContact O-N 2.9Å; G339-T341 PolarHBondContact O-N 3.45Å
340	E	76.1	Confident	89.4	Confident	152 Å²	152	55.3 Å²	55.3	71%	0.71	30%	0.301	S	S	*	.			trans	-83.8	48	174.7	-63.1	-170.9	169.3	0	0	112.7	I338	I338-E340 PolarHBondContact O-N 3.21Å
341	T	84.4	Confident	89.5	Confident	30 Å²	30	60 Å²	60	18%	0.184	33%	0.326	C	S	.	.	S	Bend	trans	-101.1	150.1	177.1	56.5	0	0	0	0	110.9	W330 L333 G339	W330-T341 HydrophobicContact CG-CG2 4.23Å; L333-T341 HydrophobicContact CB-CG2 3.92Å; L333-T341 HydrophobicContact CD1-CG2 4.2Å; G339-T341 PolarHBondContact O-N 3.45Å
342	P	87.4	Confident	89.4	Confident	39 Å²	39	61.8 Å²	61.8	25%	0.253	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-53.5	143.6	172.8	-23.1	32.7	0	0	0	111.2	T306	T306-P342 WeakPolarHBondContact O-CB 3.41Å
343	P	88.4	Confident	89.4	Confident	86 Å²	86	60 Å²	60	56%	0.558	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-70.9	141	179.6	28.8	-33.8	0	0	0	110.8
344	P	92.6	Very high	89.4	Confident	19 Å²	19	64.3 Å²	64.3	12%	0.123	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.7	151	170.5	27.3	-33.7	0	0	0	110.8	W307 E349 Y350 V353	W307-P344 HydrophobicContact CG-CB 4.29Å; P344-E349 HydrophobicContact CB-CB 3.57Å; P344-Y350 HydrophobicContact CB-CD1 4.38Å; P344-Y350 HydrophobicContact CB-CD2 4.27Å; P344-Y350 HydrophobicContact CB-CE2 4.43Å; P344-Y350 HydrophobicContact CB-CG 4.24Å; P344-Y350 HydrophobicContact CG-CD1 3.6Å; P344-Y350 HydrophobicContact CG-CD2 4.3Å; P344-Y350 HydrophobicContact CG-CE1 3.63Å; P344-Y350 HydrophobicContact CG-CE2 4.32Å; P344-Y350 HydrophobicContact CG-CG 3.94Å; P344-Y350 WeakPolarHBondContact O-CE2 3.25Å; P344-Y350 PolarHBondContact O-OH 3.26Å; P344-V353 HydrophobicContact CB-CG2 4.44Å; P344-V353 HydrophobicContact CG-CG2 4.38Å
345	V	93.3	Very high	89.5	Confident	82 Å²	82	70.3 Å²	70.3	50%	0.497	37%	0.371	S	S	.	.			trans	-114.8	-37.1	-176.5	-176.3	0	0	0	0	111.1	D305 E349	D305-V345 HydrophobicContact CB-CB 4.2Å; D305-V345 HydrophobicContact CB-CG2 4.01Å; V345-E349 PolarHBondContact N-OE2 2.76Å
346	K	92.8	Very high	89.6	Confident	68 Å²	68	70.3 Å²	70.3	30%	0.296	37%	0.371	S	S	.	.	S	Bend	trans	-100.6	153.8	-178.8	-61.6	177.1	-176.6	166.2	0	112.8	I300 D305 E348 E349 Y350	I300-K346 HydrophobicContact CG2-CD 4.19Å; D305-K346 IonicContact OD2-NZ 3.8Å; K346-E348 VanDerWaalsContact C-N 3.25Å; K346-E348 HydrophobicContact CB-CG 4.04Å; K346-E348 PolarHBondContact O-N 3.25Å; K346-E349 HydrophobicContact CB-CG 4.03Å; K346-E349 PolarHBondContact N-OE2 3.38Å; K346-E349 WeakPolarHBondContact O-CB 3.39Å; K346-E349 PolarHBondContact O-N 2.93Å; K346-Y350 VanDerWaalsContact O-CD2 3.29Å; K346-Y350 WeakPolarHBondContact O-CD2 3.29Å; K346-Y350 PolarHBondContact O-N 2.74Å
347	D	93.6	Very high	89.7	Confident	136 Å²	136	72.1 Å²	72.1	73%	0.727	38%	0.376	S	S	*	.	H	α-helix	trans	-57.4	-37.1	179.6	-66.2	-18.1	0	0	0	112.8	E349 Y350 L351	D347-E349 VanDerWaalsContact C-N 3.34Å; D347-Y350 PolarHBondContact O-N 3.06Å; D347-L351 WeakPolarHBondContact O-CG 3.33Å; D347-L351 PolarHBondContact O-N 2.95Å
348	E	91.6	Very high	89.9	Confident	108 Å²	108	73.9 Å²	73.9	51%	0.505	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-36.9	176.4	63.5	-166.3	176.1	0	0	112.8	I300 K346 F352	I300-E348 HydrophobicContact CD1-CG 4.1Å; I300-E348 WeakPolarHBondContact CD1-OE1 3.32Å; I300-E348 WeakPolarHBondContact CG1-OE1 3.45Å; K346-E348 VanDerWaalsContact C-N 3.25Å; K346-E348 HydrophobicContact CB-CG 4.04Å; K346-E348 PolarHBondContact O-N 3.25Å; E348-F352 WeakPolarHBondContact O-CB 3.32Å; E348-F352 PolarHBondContact O-N 2.9Å
349	E	93.8	Very high	90.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-71.7	-42.2	176.4	-56.3	163.8	-174.4	0	0	110.3	I300 W307 P344 V345 K346 D347 L351 F352 V353	I300-E349 HydrophobicContact CD1-CG 3.81Å; W307-E349 HydrophobicContact CD2-CB 4.13Å; W307-E349 HydrophobicContact CD2-CG 4.17Å; W307-E349 HydrophobicContact CE3-CB 3.94Å; W307-E349 HydrophobicContact CE3-CG 3.5Å; W307-E349 HydrophobicContact CZ3-CB 4.15Å; W307-E349 HydrophobicContact CZ3-CG 3.7Å; P344-E349 HydrophobicContact CB-CB 3.57Å; V345-E349 PolarHBondContact N-OE2 2.76Å; K346-E349 HydrophobicContact CB-CG 4.03Å; K346-E349 PolarHBondContact N-OE2 3.38Å; K346-E349 WeakPolarHBondContact O-CB 3.39Å; K346-E349 PolarHBondContact O-N 2.93Å; D347-E349 VanDerWaalsContact C-N 3.34Å; E349-L351 PolarHBondContact O-N 3.27Å; E349-F352 PolarHBondContact O-N 2.93Å; E349-V353 WeakPolarHBondContact O-CB 3.48Å; E349-V353 VanDerWaalsContact O-CG2 3.26Å; E349-V353 WeakPolarHBondContact O-CG2 3.26Å; E349-V353 PolarHBondContact O-N 3.08Å
350	Y	93.4	Very high	91.1	Very high	112 Å²	112	71 Å²	71	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-58	-47.4	173.5	-86.1	-75	0	0	0	111.5	P344 K346 D347 V353 I354	P344-Y350 HydrophobicContact CB-CD1 4.38Å; P344-Y350 HydrophobicContact CB-CD2 4.27Å; P344-Y350 HydrophobicContact CB-CE2 4.43Å; P344-Y350 HydrophobicContact CB-CG 4.24Å; P344-Y350 HydrophobicContact CG-CD1 3.6Å; P344-Y350 HydrophobicContact CG-CD2 4.3Å; P344-Y350 HydrophobicContact CG-CE1 3.63Å; P344-Y350 HydrophobicContact CG-CE2 4.32Å; P344-Y350 HydrophobicContact CG-CG 3.94Å; P344-Y350 WeakPolarHBondContact O-CE2 3.25Å; P344-Y350 PolarHBondContact O-OH 3.26Å; K346-Y350 VanDerWaalsContact O-CD2 3.29Å; K346-Y350 WeakPolarHBondContact O-CD2 3.29Å; K346-Y350 PolarHBondContact O-N 2.74Å; D347-Y350 PolarHBondContact O-N 3.06Å; Y350-V353 PolarHBondContact O-N 2.67Å; Y350-I354 WeakPolarHBondContact O-CB 3.1Å; Y350-I354 WeakPolarHBondContact O-CD1 3.29Å; Y350-I354 WeakPolarHBondContact O-CG1 3.49Å; Y350-I354 PolarHBondContact O-N 3.37Å
351	L	94.1	Very high	91.8	Very high	103 Å²	103	67.5 Å²	67.5	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-48.4	177.2	-75.1	179	0	0	0	111.4	D347 E349 I354 F355	D347-L351 WeakPolarHBondContact O-CG 3.33Å; D347-L351 PolarHBondContact O-N 2.95Å; E349-L351 PolarHBondContact O-N 3.27Å; L351-I354 PolarHBondContact O-N 3.33Å; L351-F355 WeakPolarHBondContact O-CD2 3.45Å; L351-F355 PolarHBondContact O-N 3.21Å
352	F	93.3	Very high	92.2	Very high	38 Å²	38	71.2 Å²	71.2	17%	0.167	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-49.8	178.2	172.5	-110.1	0	0	0	112.1	V292 I296 W307 W330 E348 E349 I354 F355 D356	V292-F352 HydrophobicContact CG1-CE2 3.76Å; V292-F352 HydrophobicContact CG1-CZ 4.07Å; I296-F352 HydrophobicContact CD1-CB 4.47Å; I296-F352 HydrophobicContact CD1-CD1 4.01Å; I296-F352 HydrophobicContact CD1-CD2 3.48Å; I296-F352 VanDerWaalsContact CD1-CD2 3.48Å; I296-F352 HydrophobicContact CD1-CE1 4.1Å; I296-F352 HydrophobicContact CD1-CE2 3.59Å; I296-F352 HydrophobicContact CD1-CG 3.71Å; I296-F352 HydrophobicContact CD1-CZ 3.9Å; W307-F352 AromaticContact CH2-CD1 3.63Å; W307-F352 HydrophobicContact CH2-CD1 3.63Å; W307-F352 AromaticContact CH2-CE1 3.97Å; W307-F352 HydrophobicContact CH2-CE1 3.97Å; W307-F352 AromaticContact CZ2-CD1 3.61Å; W307-F352 HydrophobicContact CZ2-CD1 3.61Å; W307-F352 AromaticContact CZ2-CE1 3.87Å; W307-F352 HydrophobicContact CZ2-CE1 3.87Å; W330-F352 AromaticContact CH2-CE1 3.73Å; W330-F352 HydrophobicContact CH2-CE1 3.73Å; W330-F352 HydrophobicContact CZ3-CE1 4.17Å; E348-F352 WeakPolarHBondContact O-CB 3.32Å; E348-F352 PolarHBondContact O-N 2.9Å; E349-F352 PolarHBondContact O-N 2.93Å; F352-I354 VanDerWaalsContact C-N 3.35Å; F352-I354 PolarHBondContact O-N 2.72Å; F352-F355 PolarHBondContact O-N 3.17Å; F352-D356 WeakPolarHBondContact O-CB 3.5Å; F352-D356 PolarHBondContact O-N 2.9Å
353	V	92.9	Very high	92.3	Very high	13 Å²	13	71.9 Å²	71.9	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-179.7	171.3	0	0	0	0	111.7	W307 W330 P344 E349 Y350 D356 F357	W307-V353 HydrophobicContact CZ2-CG2 3.84Å; W330-V353 HydrophobicContact CZ2-CG2 4.38Å; P344-V353 HydrophobicContact CB-CG2 4.44Å; P344-V353 HydrophobicContact CG-CG2 4.38Å; E349-V353 WeakPolarHBondContact O-CB 3.48Å; E349-V353 VanDerWaalsContact O-CG2 3.26Å; E349-V353 WeakPolarHBondContact O-CG2 3.26Å; E349-V353 PolarHBondContact O-N 3.08Å; Y350-V353 PolarHBondContact O-N 2.67Å; V353-D356 PolarHBondContact O-N 3.34Å; V353-F357 HydrophobicContact CG1-CD2 3.45Å; V353-F357 VanDerWaalsContact CG1-CD2 3.45Å; V353-F357 HydrophobicContact CG1-CE2 3.31Å; V353-F357 HydrophobicContact CG1-CZ 4.4Å; V353-F357 WeakPolarHBondContact O-CB 3.03Å; V353-F357 VanDerWaalsContact O-CD2 3.25Å; V353-F357 WeakPolarHBondContact O-CD2 3.4Å; V353-F357 PolarHBondContact O-N 2.66Å
354	I	92.8	Very high	92.3	Very high	104 Å²	104	71.7 Å²	71.7	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-46.4	174.9	-71.7	164.8	0	0	0	110.9	Y350 L351 F352 L358	Y350-I354 WeakPolarHBondContact O-CB 3.1Å; Y350-I354 WeakPolarHBondContact O-CD1 3.29Å; Y350-I354 WeakPolarHBondContact O-CG1 3.49Å; Y350-I354 PolarHBondContact O-N 3.37Å; L351-I354 PolarHBondContact O-N 3.33Å; F352-I354 VanDerWaalsContact C-N 3.35Å; F352-I354 PolarHBondContact O-N 2.72Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 3.08Å
355	F	92.8	Very high	92.2	Very high	127 Å²	127	73.7 Å²	73.7	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-42.9	176.9	-80.2	-65.5	0	0	0	111.8	L351 F352 L358 I359	L351-F355 WeakPolarHBondContact O-CD2 3.45Å; L351-F355 PolarHBondContact O-N 3.21Å; F352-F355 PolarHBondContact O-N 3.17Å; F355-L358 PolarHBondContact O-N 3.09Å; F355-I359 WeakPolarHBondContact O-CB 3.43Å; F355-I359 VanDerWaalsContact O-CG1 3.3Å; F355-I359 WeakPolarHBondContact O-CG1 3.45Å; F355-I359 PolarHBondContact O-N 3.21Å
356	D	92.9	Very high	92.1	Very high	13 Å²	13	73.8 Å²	73.8	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-41.4	179.6	-163.7	41.9	0	0	0	111.5	N289 T334 L335 F352 V353 G360	N289-D356 PolarHBondContact ND2-OD1 3.47Å; N289-D356 PolarHBondContact ND2-OD2 3.48Å; N289-D356 PolarHBondContact OD1-OD1 3.23Å; T334-D356 HydrophobicContact CG2-CB 4.4Å; T334-D356 WeakPolarHBondContact CG2-OD2 3.48Å; L335-D356 WeakPolarHBondContact CD2-OD1 3.46Å; F352-D356 WeakPolarHBondContact O-CB 3.5Å; F352-D356 PolarHBondContact O-N 2.9Å; V353-D356 PolarHBondContact O-N 3.34Å; D356-G360 WeakPolarHBondContact O-CA 3.47Å; D356-G360 PolarHBondContact O-N 3.25Å
357	F	91.8	Very high	91.9	Very high	69 Å²	69	71.6 Å²	71.6	30%	0.303	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-42.6	173.6	-84.1	-51.9	0	0	0	112.7	T334 V353 G360 V361	T334-F357 HydrophobicContact CG2-CD1 4.03Å; T334-F357 HydrophobicContact CG2-CE1 3.8Å; T334-F357 HydrophobicContact CG2-CZ 4.1Å; V353-F357 HydrophobicContact CG1-CD2 3.45Å; V353-F357 VanDerWaalsContact CG1-CD2 3.45Å; V353-F357 HydrophobicContact CG1-CE2 3.31Å; V353-F357 HydrophobicContact CG1-CZ 4.4Å; V353-F357 WeakPolarHBondContact O-CB 3.03Å; V353-F357 VanDerWaalsContact O-CD2 3.25Å; V353-F357 WeakPolarHBondContact O-CD2 3.4Å; V353-F357 PolarHBondContact O-N 2.66Å; F357-G360 PolarHBondContact O-N 3.03Å; F357-V361 WeakPolarHBondContact O-CB 2.96Å; F357-V361 WeakPolarHBondContact O-CG2 3.48Å; F357-V361 PolarHBondContact O-N 3.19Å
358	L	92.3	Very high	91.6	Very high	105 Å²	105	68.8 Å²	68.8	55%	0.55	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-46.4	178.8	-177.5	65.2	0	0	0	111.3	I354 F355 L362	I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 3.08Å; F355-L358 PolarHBondContact O-N 3.09Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.01Å; L358-L362 PolarHBondContact O-N 3.29Å
359	I	91.6	Very high	91.6	Very high	87 Å²	87	65.7 Å²	65.7	45%	0.446	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-45.3	177.7	-67.8	169.7	0	0	0	110.1	F355 L362 I363	F355-I359 WeakPolarHBondContact O-CB 3.43Å; F355-I359 VanDerWaalsContact O-CG1 3.3Å; F355-I359 WeakPolarHBondContact O-CG1 3.45Å; F355-I359 PolarHBondContact O-N 3.21Å; I359-L362 PolarHBondContact O-N 2.88Å; I359-I363 HydrophobicContact CG2-CD1 3.49Å; I359-I363 VanDerWaalsContact CG2-CD1 3.49Å; I359-I363 HydrophobicContact CG2-CG1 4.15Å; I359-I363 WeakPolarHBondContact O-CB 3.12Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.5Å; I359-I363 PolarHBondContact O-N 3.16Å
360	G	91	Very high	91.3	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-49	179.4	0	0	0	0	0	112.7	D356 F357 L362 I363 F364	D356-G360 WeakPolarHBondContact O-CA 3.47Å; D356-G360 PolarHBondContact O-N 3.25Å; F357-G360 PolarHBondContact O-N 3.03Å; G360-L362 VanDerWaalsContact C-N 3.35Å; G360-L362 PolarHBondContact O-N 3.02Å; G360-I363 PolarHBondContact O-N 3.48Å; G360-F364 WeakPolarHBondContact O-CB 3.32Å; G360-F364 PolarHBondContact O-N 3.29Å
361	V	91.7	Very high	91.1	Very high	77 Å²	77	66.3 Å²	66.3	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176.7	170.8	0	0	0	0	111.3	T337 F357 A365	T337-V361 HydrophobicContact CG2-CG2 3.6Å; F357-V361 WeakPolarHBondContact O-CB 2.96Å; F357-V361 WeakPolarHBondContact O-CG2 3.48Å; F357-V361 PolarHBondContact O-N 3.19Å; V361-A365 WeakPolarHBondContact O-CB 3.31Å; V361-A365 PolarHBondContact O-N 3.13Å
362	L	92.1	Very high	90.9	Very high	108 Å²	108	63.2 Å²	63.2	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-45	-179.9	-70.1	173.2	0	0	0	112.2	L358 I359 G360 T366	L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.01Å; L358-L362 PolarHBondContact O-N 3.29Å; I359-L362 PolarHBondContact O-N 2.88Å; G360-L362 VanDerWaalsContact C-N 3.35Å; G360-L362 PolarHBondContact O-N 3.02Å; L362-T366 WeakPolarHBondContact O-CB 3.47Å; L362-T366 PolarHBondContact O-N 3.02Å; L362-T366 VanDerWaalsContact O-N 3.07Å; L362-T366 PolarHBondContact O-OG1 3.43Å
363	I	89.8	Confident	90.7	Very high	53 Å²	53	64.4 Å²	64.4	27%	0.272	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-50.6	178.4	-71	179.3	0	0	0	109.8	I285 I359 G360 A365 T366 I367	I285-I363 HydrophobicContact CD1-CD1 4.37Å; I285-I363 HydrophobicContact CD1-CG2 4.12Å; I285-I363 HydrophobicContact CG2-CD1 4.26Å; I359-I363 HydrophobicContact CG2-CD1 3.49Å; I359-I363 VanDerWaalsContact CG2-CD1 3.49Å; I359-I363 HydrophobicContact CG2-CG1 4.15Å; I359-I363 WeakPolarHBondContact O-CB 3.12Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.5Å; I359-I363 PolarHBondContact O-N 3.16Å; G360-I363 PolarHBondContact O-N 3.48Å; I363-A365 PolarHBondContact O-N 3.38Å; I363-T366 PolarHBondContact O-N 2.86Å; I363-I367 HydrophobicContact CG2-CD1 3.45Å; I363-I367 VanDerWaalsContact CG2-CD1 3.45Å; I363-I367 HydrophobicContact CG2-CG1 4.38Å; I363-I367 WeakPolarHBondContact O-CD1 3.26Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.41Å; I363-I367 PolarHBondContact O-N 3.04Å
364	F	87.8	Confident	90.4	Very high	83 Å²	83	65.1 Å²	65.1	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-43.9	-179.3	-173.2	-102.8	0	0	0	112	T336 G360 T366 I367 V368	T336-F364 HydrophobicContact CG2-CE2 4.45Å; G360-F364 WeakPolarHBondContact O-CB 3.32Å; G360-F364 PolarHBondContact O-N 3.29Å; F364-T366 VanDerWaalsContact C-N 3.34Å; F364-T366 PolarHBondContact O-N 3.08Å; F364-I367 PolarHBondContact O-N 3.36Å; F364-V368 HydrophobicContact CD1-CG2 4.13Å; F364-V368 HydrophobicContact CD2-CG2 4.44Å; F364-V368 HydrophobicContact CE1-CG2 3.74Å; F364-V368 HydrophobicContact CE2-CG2 4.07Å; F364-V368 HydrophobicContact CG-CG2 4.47Å; F364-V368 HydrophobicContact CZ-CG2 3.7Å; F364-V368 WeakPolarHBondContact O-CG2 3.46Å; F364-V368 PolarHBondContact O-N 2.67Å
365	A	91.1	Very high	90.1	Very high	60 Å²	60	63.9 Å²	63.9	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-42.7	175.1	0	0	0	0	0	112.2	V361 I363 G369	V361-A365 WeakPolarHBondContact O-CB 3.31Å; V361-A365 PolarHBondContact O-N 3.13Å; I363-A365 PolarHBondContact O-N 3.38Å; A365-G369 PolarHBondContact O-N 2.71Å
366	T	90.6	Very high	89.9	Confident	84 Å²	84	61.6 Å²	61.6	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-43.2	177.6	-57.5	0	0	0	0	111.5	L362 I363 F364 G369 N370	L362-T366 WeakPolarHBondContact O-CB 3.47Å; L362-T366 PolarHBondContact O-N 3.02Å; L362-T366 VanDerWaalsContact O-N 3.07Å; L362-T366 PolarHBondContact O-OG1 3.43Å; I363-T366 PolarHBondContact O-N 2.86Å; F364-T366 VanDerWaalsContact C-N 3.34Å; F364-T366 PolarHBondContact O-N 3.08Å; T366-G369 PolarHBondContact O-N 2.95Å; T366-N370 WeakPolarHBondContact O-CB 3.36Å; T366-N370 PolarHBondContact O-N 3.5Å; T366-N370 PolarHBondContact O-ND2 3.2Å
367	I	88.8	Confident	89.6	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-54.1	177	-71.6	155.3	0	0	0	110.6	L278 I282 I363 F364 G369 N370 V371	L278-I367 HydrophobicContact CD1-CG1 4.04Å; L278-I367 HydrophobicContact CD1-CG2 4.44Å; L278-I367 HydrophobicContact CD2-CG2 4.19Å; L278-I367 HydrophobicContact CG-CG2 4.3Å; I282-I367 HydrophobicContact CD1-CD1 4.07Å; I282-I367 HydrophobicContact CD1-CG1 4.34Å; I282-I367 HydrophobicContact CD1-CG2 3.49Å; I282-I367 VanDerWaalsContact CD1-CG2 3.49Å; I282-I367 HydrophobicContact CG1-CD1 3.55Å; I282-I367 HydrophobicContact CG1-CG1 4.12Å; I282-I367 HydrophobicContact CG1-CG2 4.2Å; I363-I367 HydrophobicContact CG2-CD1 3.45Å; I363-I367 VanDerWaalsContact CG2-CD1 3.45Å; I363-I367 HydrophobicContact CG2-CG1 4.38Å; I363-I367 WeakPolarHBondContact O-CD1 3.26Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.41Å; I363-I367 PolarHBondContact O-N 3.04Å; F364-I367 PolarHBondContact O-N 3.36Å; I367-G369 VanDerWaalsContact C-N 3.28Å; I367-G369 PolarHBondContact O-N 3.14Å; I367-N370 PolarHBondContact O-N 3.08Å; I367-N370 VanDerWaalsContact O-N 3.14Å; I367-V371 HydrophobicContact CG2-CG2 4.32Å; I367-V371 WeakPolarHBondContact O-CG2 3.48Å; I367-V371 PolarHBondContact O-N 3.43Å
368	V	87.4	Confident	89.3	Confident	77 Å²	77	66.6 Å²	66.6	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-40.2	-177.7	172.8	0	0	0	0	110.5	F364 G372	F364-V368 HydrophobicContact CD1-CG2 4.13Å; F364-V368 HydrophobicContact CD2-CG2 4.44Å; F364-V368 HydrophobicContact CE1-CG2 3.74Å; F364-V368 HydrophobicContact CE2-CG2 4.07Å; F364-V368 HydrophobicContact CG-CG2 4.47Å; F364-V368 HydrophobicContact CZ-CG2 3.7Å; F364-V368 WeakPolarHBondContact O-CG2 3.46Å; F364-V368 PolarHBondContact O-N 2.67Å; V368-G372 PolarHBondContact O-N 3.06Å
369	G	91	Very high	89	Confident	44 Å²	44	65.3 Å²	65.3	45%	0.454	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-46.1	173.5	0	0	0	0	0	112.9	A365 T366 I367 G372 S373	A365-G369 PolarHBondContact O-N 2.71Å; T366-G369 PolarHBondContact O-N 2.95Å; I367-G369 VanDerWaalsContact C-N 3.28Å; I367-G369 PolarHBondContact O-N 3.14Å; G369-G372 PolarHBondContact O-N 3.06Å; G369-S373 PolarHBondContact O-N 2.95Å
370	N	88.7	Confident	88.9	Confident	79 Å²	79	63.3 Å²	63.3	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-43.4	178.5	-73.9	-16	0	0	0	112.3	L278 T366 I367 G372 S373 M374	L278-N370 HydrophobicContact CD2-CB 4.38Å; T366-N370 WeakPolarHBondContact O-CB 3.36Å; T366-N370 PolarHBondContact O-N 3.5Å; T366-N370 PolarHBondContact O-ND2 3.2Å; I367-N370 PolarHBondContact O-N 3.08Å; I367-N370 VanDerWaalsContact O-N 3.14Å; N370-G372 VanDerWaalsContact C-N 3.35Å; N370-S373 PolarHBondContact O-N 3.28Å; N370-M374 HydrophobicContact CB-CE 4.01Å; N370-M374 WeakPolarHBondContact O-CG 3.38Å; N370-M374 PolarHBondContact O-N 3.26Å
371	V	88.6	Confident	88.6	Confident	46 Å²	46	67.5 Å²	67.5	28%	0.279	41%	0.411	S	S	.	.	H	α-helix	trans	-59.7	-46.7	173.7	174.3	0	0	0	0	110.3	L278 I367 S373 M374 I375	L278-V371 HydrophobicContact CD2-CG2 3.37Å; I367-V371 HydrophobicContact CG2-CG2 4.32Å; I367-V371 WeakPolarHBondContact O-CG2 3.48Å; I367-V371 PolarHBondContact O-N 3.43Å; V371-S373 VanDerWaalsContact C-N 3.34Å; V371-S373 PolarHBondContact O-N 3.46Å; V371-M374 PolarHBondContact O-N 3.16Å; V371-I375 HydrophobicContact CG1-CD1 3.71Å; V371-I375 HydrophobicContact CG1-CG1 4.31Å; V371-I375 WeakPolarHBondContact O-CG1 3.48Å; V371-I375 PolarHBondContact O-N 3.48Å
372	G	89.3	Confident	88.3	Confident	38 Å²	38	71.6 Å²	71.6	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-45	177.5	0	0	0	0	0	112.4	V368 G369 N370 I375 S376	V368-G372 PolarHBondContact O-N 3.06Å; G369-G372 PolarHBondContact O-N 3.06Å; N370-G372 VanDerWaalsContact C-N 3.35Å; G372-I375 PolarHBondContact O-N 3.34Å; G372-S376 WeakPolarHBondContact O-CB 3.37Å; G372-S376 PolarHBondContact O-N 3.39Å
373	S	89.3	Confident	88.2	Confident	62 Å²	62	69.2 Å²	69.2	43%	0.434	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174.9	-175.5	0	0	0	0	112.2	G369 N370 V371 I375 S376 N377	G369-S373 PolarHBondContact O-N 2.95Å; N370-S373 PolarHBondContact O-N 3.28Å; V371-S373 VanDerWaalsContact C-N 3.34Å; V371-S373 PolarHBondContact O-N 3.46Å; S373-I375 PolarHBondContact O-N 3.07Å; S373-S376 WeakPolarHBondContact O-CB 3.06Å; S373-S376 PolarHBondContact O-N 3Å; S373-N377 WeakPolarHBondContact O-CB 3.5Å; S373-N377 VanDerWaalsContact O-CG 3.28Å; S373-N377 PolarHBondContact O-N 3.17Å; S373-N377 PolarHBondContact O-ND2 2.95Å
374	M	87.1	Confident	88.2	Confident	29 Å²	29	71.9 Å²	71.9	14%	0.143	43%	0.425	C	S	.	.	H	α-helix	trans	-63.1	-41.7	177.8	-72.3	-176.5	-124.5	0	0	112.6	R274 I275 L278 N370 V371 N377 M378	R274-M374 HydrophobicContact CB-SD 3.59Å; R274-M374 VanDerWaalsContact CB-SD 3.59Å; I275-M374 HydrophobicContact CG1-SD 4.02Å; L278-M374 HydrophobicContact CD2-CE 3.87Å; N370-M374 HydrophobicContact CB-CE 4.01Å; N370-M374 WeakPolarHBondContact O-CG 3.38Å; N370-M374 PolarHBondContact O-N 3.26Å; V371-M374 PolarHBondContact O-N 3.16Å; M374-N377 PolarHBondContact O-N 3.49Å; M374-M378 WeakPolarHBondContact O-CB 3.48Å; M374-M378 PolarHBondContact O-N 3.27Å
375	I	87.6	Confident	88.3	Confident	78 Å²	78	69 Å²	69	40%	0.4	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.3	-68.6	170.4	0	0	0	110.7	V371 G372 S373 M378 N379	V371-I375 HydrophobicContact CG1-CD1 3.71Å; V371-I375 HydrophobicContact CG1-CG1 4.31Å; V371-I375 WeakPolarHBondContact O-CG1 3.48Å; V371-I375 PolarHBondContact O-N 3.48Å; G372-I375 PolarHBondContact O-N 3.34Å; S373-I375 PolarHBondContact O-N 3.07Å; I375-M378 PolarHBondContact O-N 3.49Å; I375-N379 PolarHBondContact O-N 3.15Å
376	S	88.5	Confident	88.2	Confident	78 Å²	78	69.8 Å²	69.8	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-47.9	175.3	-172.4	0	0	0	0	111.3	G372 S373 M378 N379 A380	G372-S376 WeakPolarHBondContact O-CB 3.37Å; G372-S376 PolarHBondContact O-N 3.39Å; S373-S376 WeakPolarHBondContact O-CB 3.06Å; S373-S376 PolarHBondContact O-N 3Å; S376-M378 PolarHBondContact O-N 3.44Å; S376-N379 CarbonylContact O-C 3.59Å; S376-N379 PolarHBondContact O-N 3.41Å; S376-N379 VanDerWaalsContact O-N 3.14Å; S376-A380 PolarHBondContact O-N 3.15Å
377	N	86.3	Confident	88.3	Confident	89 Å²	89	68.6 Å²	68.6	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-38.9	178	-71.8	-23.2	0	0	0	112.7	S373 M374 N379 A380	S373-N377 WeakPolarHBondContact O-CB 3.5Å; S373-N377 VanDerWaalsContact O-CG 3.28Å; S373-N377 PolarHBondContact O-N 3.17Å; S373-N377 PolarHBondContact O-ND2 2.95Å; M374-N377 PolarHBondContact O-N 3.49Å; N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 3.43Å; N377-A380 VanDerWaalsContact O-CB 3.26Å; N377-A380 WeakPolarHBondContact O-CB 3.49Å; N377-A380 PolarHBondContact O-N 3.49Å
378	M	84.6	Confident	88.4	Confident	99 Å²	99	72.7 Å²	72.7	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-34.1	176.3	-176.2	176.8	66.3	0	0	112.3	M374 I375 S376	M374-M378 WeakPolarHBondContact O-CB 3.48Å; M374-M378 PolarHBondContact O-N 3.27Å; I375-M378 PolarHBondContact O-N 3.49Å; S376-M378 PolarHBondContact O-N 3.44Å
379	N	87	Confident	88.6	Confident	77 Å²	77	69.5 Å²	69.5	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-92.8	1.3	178.7	-72	-35.7	0	0	0	113.7	I375 S376 N377 T381 R382 A383	I375-N379 PolarHBondContact O-N 3.15Å; S376-N379 CarbonylContact O-C 3.59Å; S376-N379 PolarHBondContact O-N 3.41Å; S376-N379 VanDerWaalsContact O-N 3.14Å; N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 3.43Å; N379-T381 PolarHBondContact O-N 3.44Å; N379-R382 PolarHBondContact O-N 2.97Å; N379-R382 VanDerWaalsContact O-N 3.15Å; N379-A383 PolarHBondContact O-N 3.49Å
380	A	88.4	Confident	88.7	Confident	45 Å²	45	71 Å²	71	37%	0.372	40%	0.399	S	S	.	.	H	α-helix	trans	-57.9	-46.2	-171.7	0	0	0	0	0	113	S376 N377 R382 A383 E384	S376-A380 PolarHBondContact O-N 3.15Å; N377-A380 VanDerWaalsContact O-CB 3.26Å; N377-A380 WeakPolarHBondContact O-CB 3.49Å; N377-A380 PolarHBondContact O-N 3.49Å; A380-R382 VanDerWaalsContact C-N 3.31Å; A380-R382 PolarHBondContact O-N 3.25Å; A380-A383 PolarHBondContact O-N 3.38Å; A380-E384 WeakPolarHBondContact O-CB 3.44Å; A380-E384 PolarHBondContact O-N 2.97Å
381	T	85.3	Confident	89	Confident	90 Å²	90	70.1 Å²	70.1	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-62.4	-38.4	179.5	-51	0	0	0	0	112.4	N379 F385	N379-T381 PolarHBondContact O-N 3.44Å; T381-F385 WeakPolarHBondContact O-CB 3.35Å; T381-F385 PolarHBondContact O-N 3.48Å
382	R	85.9	Confident	89.3	Confident	162 Å²	162	70.3 Å²	70.3	61%	0.611	40%	0.404	S	S	*	.	H	α-helix	trans	-69.9	-41.6	176.7	-174.7	176.4	-179.5	-177.6	-0.1	111.1	N379 A380 F385 Q386 W417	N379-R382 PolarHBondContact O-N 2.97Å; N379-R382 VanDerWaalsContact O-N 3.15Å; A380-R382 VanDerWaalsContact C-N 3.31Å; A380-R382 PolarHBondContact O-N 3.25Å; R382-F385 PolarHBondContact O-N 3.5Å; R382-Q386 WeakPolarHBondContact O-CB 3.49Å; R382-Q386 PolarHBondContact O-N 3.37Å; R382-W417 HydrophobicContact CB-CH2 3.7Å; R382-W417 HydrophobicContact CB-CZ2 4.01Å; R382-W417 HydrophobicContact CG-CH2 3.9Å; R382-W417 HydrophobicContact CG-CZ2 3.78Å
383	A	89.9	Confident	89.5	Confident	59 Å²	59	71.3 Å²	71.3	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.2	0	0	0	0	0	111.6	N379 A380 Q386 A387	N379-A383 PolarHBondContact O-N 3.49Å; A380-A383 PolarHBondContact O-N 3.38Å; A383-Q386 PolarHBondContact O-N 3.28Å; A383-A387 WeakPolarHBondContact O-CB 3.5Å; A383-A387 PolarHBondContact O-N 2.99Å
384	E	89.3	Confident	89.7	Confident	109 Å²	109	74.5 Å²	74.5	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-45.2	177	-167.6	-161.5	149.5	0	0	111.7	A380 A387 K388	A380-E384 WeakPolarHBondContact O-CB 3.44Å; A380-E384 PolarHBondContact O-N 2.97Å; E384-A387 PolarHBondContact O-N 3.02Å; E384-K388 WeakPolarHBondContact O-CG 3.45Å; E384-K388 PolarHBondContact O-N 3.09Å; E384-K388 VanDerWaalsContact O-N 3.07Å; E384-K388 VanDerWaalsContact OE1-CE 3.25Å; E384-K388 WeakPolarHBondContact OE1-CE 3.41Å; E384-K388 IonicContact OE1-NZ 3.86Å; E384-K388 PolarHBondContact OE1-NZ 2.98Å
385	F	88.9	Confident	90.1	Very high	22 Å²	22	79.7 Å²	79.7	10%	0.096	43%	0.425	C	S	.	.	H	α-helix	trans	-64	-42.8	177	-178.9	-105	0	0	0	112.1	T381 R382 A387 K388 I389 F413 W417 T422	T381-F385 WeakPolarHBondContact O-CB 3.35Å; T381-F385 PolarHBondContact O-N 3.48Å; R382-F385 PolarHBondContact O-N 3.5Å; F385-A387 VanDerWaalsContact C-N 3.33Å; F385-A387 PolarHBondContact O-N 3.39Å; F385-K388 WeakPolarHBondContact O-CB 3.38Å; F385-K388 PolarHBondContact O-N 2.84Å; F385-I389 HydrophobicContact CD1-CD1 3.75Å; F385-I389 HydrophobicContact CD1-CG1 4.49Å; F385-I389 HydrophobicContact CE1-CD1 3.19Å; F385-I389 HydrophobicContact CE1-CG1 4.1Å; F385-I389 HydrophobicContact CZ-CD1 3.64Å; F385-I389 HydrophobicContact CZ-CG1 4.19Å; F385-I389 PolarHBondContact O-N 3.49Å; F385-F413 AromaticContact CE2-CD1 3.91Å; F385-F413 HydrophobicContact CE2-CD1 3.91Å; F385-F413 HydrophobicContact CZ-CB 4.19Å; F385-F413 AromaticContact CZ-CD1 3.91Å; F385-F413 HydrophobicContact CZ-CD1 3.91Å; F385-F413 WeakPolarHBondContact CZ-O 3.44Å; F385-W417 HydrophobicContact CB-CE3 3.9Å; F385-W417 HydrophobicContact CB-CZ3 3.61Å; F385-W417 HydrophobicContact CD1-CB 4.37Å; F385-W417 AromaticContact CD1-CD2 3.75Å; F385-W417 HydrophobicContact CD1-CD2 3.75Å; F385-W417 AromaticContact CD1-CE3 3.18Å; F385-W417 HydrophobicContact CD1-CE3 3.18Å; F385-W417 HydrophobicContact CD1-CG 4.24Å; F385-W417 AromaticContact CD1-CZ3 3.77Å; F385-W417 HydrophobicContact CD1-CZ3 3.77Å; F385-W417 HydrophobicContact CD2-CE3 4.09Å; F385-W417 HydrophobicContact CE1-CB 3.55Å; F385-W417 AromaticContact CE1-CD2 3.85Å; F385-W417 HydrophobicContact CE1-CD2 3.85Å; F385-W417 AromaticContact CE1-CE3 3.59Å; F385-W417 HydrophobicContact CE1-CE3 3.59Å; F385-W417 AromaticContact CE1-CG 3.84Å; F385-W417 HydrophobicContact CE1-CG 3.84Å; F385-W417 HydrophobicContact CE2-CE3 4.46Å; F385-W417 HydrophobicContact CG-CD2 4.43Å; F385-W417 AromaticContact CG-CE3 3.44Å; F385-W417 HydrophobicContact CG-CE3 3.44Å; F385-W417 VanDerWaalsContact CG-CE3 3.44Å; F385-W417 AromaticContact CG-CZ3 3.73Å; F385-W417 HydrophobicContact CG-CZ3 3.73Å; F385-W417 HydrophobicContact CZ-CB 3.8Å; F385-W417 HydrophobicContact CZ-CE3 4.23Å; F385-T422 HydrophobicContact CD2-CG2 3.72Å; F385-T422 HydrophobicContact CE2-CG2 3.34Å; F385-T422 HydrophobicContact CZ-CG2 3.86Å
386	Q	90.1	Very high	90.5	Very high	76 Å²	76	76.5 Å²	76.5	36%	0.355	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-41.7	176.2	-170.4	59.2	51.3	0	0	111.4	R382 A383 K388 I389 D390	R382-Q386 WeakPolarHBondContact O-CB 3.49Å; R382-Q386 PolarHBondContact O-N 3.37Å; A383-Q386 PolarHBondContact O-N 3.28Å; Q386-K388 VanDerWaalsContact C-N 3.31Å; Q386-K388 PolarHBondContact O-N 2.83Å; Q386-I389 WeakPolarHBondContact O-CB 3.38Å; Q386-I389 PolarHBondContact O-N 3.32Å; Q386-I389 VanDerWaalsContact O-N 3.15Å; Q386-D390 PolarHBondContact NE2-OD1 3.43Å; Q386-D390 PolarHBondContact O-N 3.49Å
387	A	92.6	Very high	90.7	Very high	59 Å²	59	78.3 Å²	78.3	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-60.2	-39.5	175.5	0	0	0	0	0	112.3	A383 E384 F385 D390 A391	A383-A387 WeakPolarHBondContact O-CB 3.5Å; A383-A387 PolarHBondContact O-N 2.99Å; E384-A387 PolarHBondContact O-N 3.02Å; F385-A387 VanDerWaalsContact C-N 3.33Å; F385-A387 PolarHBondContact O-N 3.39Å; A387-D390 PolarHBondContact O-N 3.44Å; A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 2.86Å
388	K	90.8	Very high	91.2	Very high	108 Å²	108	80.9 Å²	80.9	47%	0.47	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-44.8	173.3	-70.4	174.6	-173.1	168.3	0	111.7	E384 F385 Q386 D390 A391 V392	E384-K388 WeakPolarHBondContact O-CG 3.45Å; E384-K388 PolarHBondContact O-N 3.09Å; E384-K388 VanDerWaalsContact O-N 3.07Å; E384-K388 VanDerWaalsContact OE1-CE 3.25Å; E384-K388 WeakPolarHBondContact OE1-CE 3.41Å; E384-K388 IonicContact OE1-NZ 3.86Å; E384-K388 PolarHBondContact OE1-NZ 2.98Å; F385-K388 WeakPolarHBondContact O-CB 3.38Å; F385-K388 PolarHBondContact O-N 2.84Å; Q386-K388 VanDerWaalsContact C-N 3.31Å; Q386-K388 PolarHBondContact O-N 2.83Å; K388-D390 VanDerWaalsContact C-N 3.34Å; K388-D390 PolarHBondContact O-N 3.3Å; K388-A391 PolarHBondContact O-N 2.88Å; K388-V392 WeakPolarHBondContact O-CG2 3.5Å; K388-V392 PolarHBondContact O-N 2.92Å; K388-V392 VanDerWaalsContact O-N 3.15Å
389	I	91.3	Very high	91.8	Very high	10 Å²	10	83.6 Å²	83.6	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-60.6	-45.7	176.1	-71	174	0	0	0	110.9	F385 Q386 A391 V392 K393 F413	F385-I389 HydrophobicContact CD1-CD1 3.75Å; F385-I389 HydrophobicContact CD1-CG1 4.49Å; F385-I389 HydrophobicContact CE1-CD1 3.19Å; F385-I389 HydrophobicContact CE1-CG1 4.1Å; F385-I389 HydrophobicContact CZ-CD1 3.64Å; F385-I389 HydrophobicContact CZ-CG1 4.19Å; F385-I389 PolarHBondContact O-N 3.49Å; Q386-I389 WeakPolarHBondContact O-CB 3.38Å; Q386-I389 PolarHBondContact O-N 3.32Å; Q386-I389 VanDerWaalsContact O-N 3.15Å; I389-A391 VanDerWaalsContact C-N 3.32Å; I389-A391 PolarHBondContact O-N 3.12Å; I389-V392 PolarHBondContact O-N 3.28Å; I389-K393 HydrophobicContact CG2-CD 3.94Å; I389-K393 VanDerWaalsContact CG2-CE 3.43Å; I389-K393 HydrophobicContact CG2-CG 4.26Å; I389-K393 WeakPolarHBondContact O-CG 3.46Å; I389-K393 PolarHBondContact O-N 3.33Å; I389-F413 HydrophobicContact CD1-CB 4.04Å; I389-F413 HydrophobicContact CD1-CG 4.43Å; I389-F413 HydrophobicContact CG1-CB 4.11Å; I389-F413 HydrophobicContact CG1-CD1 4.02Å; I389-F413 HydrophobicContact CG1-CD2 4.47Å; I389-F413 HydrophobicContact CG1-CG 3.96Å
390	D	93.6	Very high	92.1	Very high	76 Å²	76	88.9 Å²	88.9	41%	0.406	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-36.9	-176.6	-66.1	-19.8	0	0	0	111.3	Q386 A387 K388 V392 K393 H394	Q386-D390 PolarHBondContact NE2-OD1 3.43Å; Q386-D390 PolarHBondContact O-N 3.49Å; A387-D390 PolarHBondContact O-N 3.44Å; K388-D390 VanDerWaalsContact C-N 3.34Å; K388-D390 PolarHBondContact O-N 3.3Å; D390-V392 PolarHBondContact O-N 3.04Å; D390-K393 PolarHBondContact O-N 3.32Å; D390-K393 IonicContact OD1-NZ 3.5Å; D390-H394 WeakPolarHBondContact O-CB 3.47Å; D390-H394 PolarHBondContact O-N 2.98Å
391	A	95	Very high	92.5	Very high	61 Å²	61	88.6 Å²	88.6	50%	0.504	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-43.2	171.5	0	0	0	0	0	112.4	A387 K388 I389 H394 Y395	A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 2.86Å; K388-A391 PolarHBondContact O-N 2.88Å; I389-A391 VanDerWaalsContact C-N 3.32Å; I389-A391 PolarHBondContact O-N 3.12Å; A391-H394 PolarHBondContact O-N 3.15Å; A391-Y395 WeakPolarHBondContact O-CB 3.49Å; A391-Y395 PolarHBondContact O-N 3.47Å
392	V	94.4	Very high	93	Very high	49 Å²	49	87.4 Å²	87.4	30%	0.297	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-41.5	177.3	176.6	0	0	0	0	111.3	K388 I389 D390 H394 Y395 M396 V409 F413	K388-V392 WeakPolarHBondContact O-CG2 3.5Å; K388-V392 PolarHBondContact O-N 2.92Å; K388-V392 VanDerWaalsContact O-N 3.15Å; I389-V392 PolarHBondContact O-N 3.28Å; D390-V392 PolarHBondContact O-N 3.04Å; V392-H394 PolarHBondContact O-N 3.49Å; V392-Y395 WeakPolarHBondContact O-CB 3.45Å; V392-Y395 PolarHBondContact O-N 3.17Å; V392-M396 HydrophobicContact CG1-CE 4.08Å; V392-M396 HydrophobicContact CG1-SD 4.42Å; V392-M396 WeakPolarHBondContact O-CG 3.28Å; V392-M396 PolarHBondContact O-N 3.06Å; V392-V409 HydrophobicContact CG1-CG1 3.88Å; V392-F413 HydrophobicContact CB-CE2 4.36Å; V392-F413 HydrophobicContact CG1-CE2 4.15Å; V392-F413 HydrophobicContact CG2-CE2 4.22Å; V392-F413 HydrophobicContact CG2-CZ 4.1Å
393	K	93.1	Very high	93.3	Very high	60 Å²	60	86.7 Å²	86.7	26%	0.261	43%	0.429	S	S	.	.	H	α-helix	trans	-58.8	-47.1	173.8	-74.6	175	179.9	168.4	0	111.3	I389 D390 Y395 M396 Q397	I389-K393 HydrophobicContact CG2-CD 3.94Å; I389-K393 VanDerWaalsContact CG2-CE 3.43Å; I389-K393 HydrophobicContact CG2-CG 4.26Å; I389-K393 WeakPolarHBondContact O-CG 3.46Å; I389-K393 PolarHBondContact O-N 3.33Å; D390-K393 PolarHBondContact O-N 3.32Å; D390-K393 IonicContact OD1-NZ 3.5Å; K393-Y395 VanDerWaalsContact C-N 3.33Å; K393-Y395 PolarHBondContact O-N 2.93Å; K393-M396 HydrophobicContact CG-CE 4.35Å; K393-M396 PolarHBondContact O-N 3.37Å; K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.39Å
394	H	94.8	Very high	93.5	Very high	128 Å²	128	91.6 Å²	91.6	59%	0.593	44%	0.442	S	S	*	.	H	α-helix	trans	-60.4	-42.9	177.2	-174.3	-95.1	0	0	0	111.7	D390 A391 V392 M396 Q397 F398	D390-H394 WeakPolarHBondContact O-CB 3.47Å; D390-H394 PolarHBondContact O-N 2.98Å; A391-H394 PolarHBondContact O-N 3.15Å; V392-H394 PolarHBondContact O-N 3.49Å; H394-M396 PolarHBondContact O-N 3.23Å; H394-Q397 PolarHBondContact O-N 3.37Å; H394-F398 WeakPolarHBondContact O-CB 3.19Å; H394-F398 PolarHBondContact O-N 3.25Å
395	Y	95.4	Very high	93.5	Very high	138 Å²	138	91.5 Å²	91.5	54%	0.541	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-45.4	175.1	178.9	-96.6	0	0	0	112.7	A391 V392 K393 F398 R399	A391-Y395 WeakPolarHBondContact O-CB 3.49Å; A391-Y395 PolarHBondContact O-N 3.47Å; V392-Y395 WeakPolarHBondContact O-CB 3.45Å; V392-Y395 PolarHBondContact O-N 3.17Å; K393-Y395 VanDerWaalsContact C-N 3.33Å; K393-Y395 PolarHBondContact O-N 2.93Å; Y395-F398 PolarHBondContact O-N 2.72Å; Y395-R399 HydrophobicContact CD2-CG 4.42Å; Y395-R399 HydrophobicContact CE1-CG 4.07Å; Y395-R399 HydrophobicContact CE2-CG 3.98Å; Y395-R399 WeakPolarHBondContact O-CB 3.11Å; Y395-R399 WeakPolarHBondContact O-CG 3.41Å; Y395-R399 PolarHBondContact O-N 3.19Å
396	M	95.2	Very high	93.7	Very high	12 Å²	12	91.5 Å²	91.5	6%	0.059	44%	0.444	C	S	.	.	H	α-helix	trans	-64.8	-39.5	178.9	-71.6	-173	-62.1	0	0	112.4	V392 K393 H394 R399 K400 V401 E406 V409	V392-M396 HydrophobicContact CG1-CE 4.08Å; V392-M396 HydrophobicContact CG1-SD 4.42Å; V392-M396 WeakPolarHBondContact O-CG 3.28Å; V392-M396 PolarHBondContact O-N 3.06Å; K393-M396 HydrophobicContact CG-CE 4.35Å; K393-M396 PolarHBondContact O-N 3.37Å; H394-M396 PolarHBondContact O-N 3.23Å; M396-R399 PolarHBondContact O-N 3.36Å; M396-K400 PolarHBondContact O-N 3.38Å; M396-V401 HydrophobicContact CB-CB 4.1Å; M396-V401 HydrophobicContact CB-CG2 4.19Å; M396-V401 HydrophobicContact CG-CB 4.36Å; M396-V401 HydrophobicContact CG-CG2 4.25Å; M396-V401 PolarHBondContact O-N 2.93Å; M396-E406 HydrophobicContact CE-CB 4.25Å; M396-E406 HydrophobicContact CE-CG 3.78Å; M396-E406 HydrophobicContact SD-CB 4.18Å; M396-E406 HydrophobicContact SD-CG 4.36Å; M396-V409 HydrophobicContact CE-CB 4.36Å; M396-V409 HydrophobicContact CE-CG1 4.19Å; M396-V409 HydrophobicContact SD-CB 4.02Å; M396-V409 HydrophobicContact SD-CG1 4.16Å; M396-V409 HydrophobicContact SD-CG2 4.05Å
397	Q	93.7	Very high	93.8	Very high	116 Å²	116	89.8 Å²	89.8	54%	0.542	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-47	175.2	-71.6	175.1	5.5	0	0	111.3	K393 H394 R399 K400	K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.39Å; H394-Q397 PolarHBondContact O-N 3.37Å; Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 2.7Å; Q397-K400 PolarHBondContact O-N 2.99Å; Q397-K400 VanDerWaalsContact O-N 3.09Å
398	F	96.1	Very high	93.8	Very high	143 Å²	143	91.5 Å²	91.5	63%	0.627	44%	0.439	S	S	*	.	H	α-helix	trans	-59.6	-41.4	177.7	179.5	-103.2	0	0	0	112.3	H394 Y395 K400	H394-F398 WeakPolarHBondContact O-CB 3.19Å; H394-F398 PolarHBondContact O-N 3.25Å; Y395-F398 PolarHBondContact O-N 2.72Å; F398-K400 VanDerWaalsContact C-N 3.3Å; F398-K400 PolarHBondContact O-N 3.34Å
399	R	96.4	Very high	93.8	Very high	155 Å²	155	88.3 Å²	88.3	59%	0.585	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	0.5	177.9	-65.4	-60	-171.1	-178.3	-0.6	114.3	Y395 M396 Q397 V401	Y395-R399 HydrophobicContact CD2-CG 4.42Å; Y395-R399 HydrophobicContact CE1-CG 4.07Å; Y395-R399 HydrophobicContact CE2-CG 3.98Å; Y395-R399 WeakPolarHBondContact O-CB 3.11Å; Y395-R399 WeakPolarHBondContact O-CG 3.41Å; Y395-R399 PolarHBondContact O-N 3.19Å; M396-R399 PolarHBondContact O-N 3.36Å; Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 2.7Å; R399-V401 VanDerWaalsContact C-N 3.29Å; R399-V401 HydrophobicContact CB-CG2 4.14Å; R399-V401 PolarHBondContact O-N 3.22Å
400	K	94.9	Very high	93.9	Very high	189 Å²	189	90.1 Å²	90.1	82%	0.822	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	45.4	-179.2	-56.5	-178.4	-179.1	-178.8	0	112.7	M396 Q397 F398	M396-K400 PolarHBondContact O-N 3.38Å; Q397-K400 PolarHBondContact O-N 2.99Å; Q397-K400 VanDerWaalsContact O-N 3.09Å; F398-K400 VanDerWaalsContact C-N 3.3Å; F398-K400 PolarHBondContact O-N 3.34Å
401	V	95.8	Very high	93.8	Very high	39 Å²	39	93.7 Å²	93.7	24%	0.236	45%	0.445	C	S	.	.			trans	-64	148.7	175.7	175.7	0	0	0	0	110.2	M396 R399 M405	M396-V401 HydrophobicContact CB-CB 4.1Å; M396-V401 HydrophobicContact CB-CG2 4.19Å; M396-V401 HydrophobicContact CG-CB 4.36Å; M396-V401 HydrophobicContact CG-CG2 4.25Å; M396-V401 PolarHBondContact O-N 2.93Å; R399-V401 VanDerWaalsContact C-N 3.29Å; R399-V401 HydrophobicContact CB-CG2 4.14Å; R399-V401 PolarHBondContact O-N 3.22Å; V401-M405 HydrophobicContact CG1-CB 3.63Å; V401-M405 HydrophobicContact CG1-CG 3.67Å; V401-M405 HydrophobicContact CG1-SD 3.45Å; V401-M405 WeakPolarHBondContact CG1-SD 3.49Å
402	S	96.2	Very high	93.6	Very high	64 Å²	64	94.6 Å²	94.6	45%	0.448	44%	0.436	S	S	.	.			trans	-61.9	147.2	179.1	69.2	0	0	0	0	111.9	E404 M405 E406	S402-E404 PolarHBondContact O-N 3.49Å; S402-M405 PolarHBondContact O-N 3.49Å; S402-M405 VanDerWaalsContact O-N 3.1Å; S402-M405 WeakPolarHBondContact OG-CB 3.41Å; S402-M405 PolarHBondContact OG-N 2.99Å; S402-E406 PolarHBondContact O-N 3.15Å
403	K	92.2	Very high	93.4	Very high	147 Å²	147	93.8 Å²	93.8	64%	0.639	43%	0.428	S	S	*	.	H	α-helix	trans	-61.1	-30.7	179.4	-70.7	-71.8	164.9	-162	0	112.9	E406 A407	K403-E406 WeakPolarHBondContact CD-OE2 3.43Å; K403-E406 IonicContact NZ-OE1 2.69Å; K403-E406 IonicContact NZ-OE2 2.91Å; K403-E406 PolarHBondContact NZ-OE2 3.18Å; K403-A407 WeakPolarHBondContact O-CB 3.44Å; K403-A407 PolarHBondContact O-N 3.22Å
404	E	92.9	Very high	93.2	Very high	162 Å²	162	94.9 Å²	94.9	76%	0.757	44%	0.437	S	S	*	.	H	α-helix	trans	-65.3	-44	174.7	-64.9	179.8	-178	0	0	112.2	S402 A407 K408	S402-E404 PolarHBondContact O-N 3.49Å; E404-A407 PolarHBondContact O-N 3.42Å; E404-K408 WeakPolarHBondContact O-CB 3.31Å; E404-K408 PolarHBondContact O-N 3.5Å
405	M	91.1	Very high	93	Very high	108 Å²	108	90.6 Å²	90.6	53%	0.532	42%	0.416	S	S	.	.	H	α-helix	trans	-69.8	-40.4	177.5	-177.4	-179.9	-64.9	0	0	111	V401 S402 A407 K408 V409	V401-M405 HydrophobicContact CG1-CB 3.63Å; V401-M405 HydrophobicContact CG1-CG 3.67Å; V401-M405 HydrophobicContact CG1-SD 3.45Å; V401-M405 WeakPolarHBondContact CG1-SD 3.49Å; S402-M405 PolarHBondContact O-N 3.49Å; S402-M405 VanDerWaalsContact O-N 3.1Å; S402-M405 WeakPolarHBondContact OG-CB 3.41Å; S402-M405 PolarHBondContact OG-N 2.99Å; M405-A407 PolarHBondContact O-N 2.97Å; M405-K408 WeakPolarHBondContact O-CB 3.19Å; M405-K408 PolarHBondContact O-N 3.44Å; M405-K408 VanDerWaalsContact O-N 3.16Å; M405-V409 WeakPolarHBondContact O-CG2 3.31Å; M405-V409 PolarHBondContact O-N 2.86Å
406	E	92.3	Very high	92.6	Very high	22 Å²	22	84.7 Å²	84.7	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-57.2	-48.4	172.8	177.9	174.1	-170.7	0	0	111.5	M396 S402 K403 K408 V409 I410	M396-E406 HydrophobicContact CE-CB 4.25Å; M396-E406 HydrophobicContact CE-CG 3.78Å; M396-E406 HydrophobicContact SD-CB 4.18Å; M396-E406 HydrophobicContact SD-CG 4.36Å; S402-E406 PolarHBondContact O-N 3.15Å; K403-E406 WeakPolarHBondContact CD-OE2 3.43Å; K403-E406 IonicContact NZ-OE1 2.69Å; K403-E406 IonicContact NZ-OE2 2.91Å; K403-E406 PolarHBondContact NZ-OE2 3.18Å; E406-K408 VanDerWaalsContact C-N 3.28Å; E406-K408 PolarHBondContact O-N 2.92Å; E406-V409 PolarHBondContact O-N 2.95Å; E406-I410 HydrophobicContact CG-CD1 3.93Å; E406-I410 WeakPolarHBondContact O-CG1 3.46Å; E406-I410 PolarHBondContact O-N 3.3Å
407	A	92.1	Very high	92.2	Very high	40 Å²	40	88.3 Å²	88.3	33%	0.331	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-30.1	177.1	0	0	0	0	0	113.1	K403 E404 M405 R411	K403-A407 WeakPolarHBondContact O-CB 3.44Å; K403-A407 PolarHBondContact O-N 3.22Å; E404-A407 PolarHBondContact O-N 3.42Å; M405-A407 PolarHBondContact O-N 2.97Å; A407-R411 WeakPolarHBondContact O-CB 3.45Å; A407-R411 WeakPolarHBondContact O-CG 3.31Å; A407-R411 PolarHBondContact O-N 3.31Å; A407-R411 PolarHBondContact O-NE 3.28Å; A407-R411 VanDerWaalsContact O-NE 3.09Å
408	K	91.8	Very high	91.9	Very high	95 Å²	95	87.8 Å²	87.8	41%	0.413	41%	0.412	S	S	.	.	H	α-helix	trans	-68.8	-45.7	173.9	-174.8	-179.9	178.8	-179.4	0	111.2	E404 M405 E406 R411 W412 D479	E404-K408 WeakPolarHBondContact O-CB 3.31Å; E404-K408 PolarHBondContact O-N 3.5Å; M405-K408 WeakPolarHBondContact O-CB 3.19Å; M405-K408 PolarHBondContact O-N 3.44Å; M405-K408 VanDerWaalsContact O-N 3.16Å; E406-K408 VanDerWaalsContact C-N 3.28Å; E406-K408 PolarHBondContact O-N 2.92Å; K408-R411 PolarHBondContact O-N 3.27Å; K408-W412 PolarHBondContact O-N 2.94Å; K408-W412 VanDerWaalsContact O-N 3.08Å; K408-D479 VanDerWaalsContact CE-OD1 3.29Å; K408-D479 WeakPolarHBondContact CE-OD1 3.48Å; K408-D479 IonicContact NZ-OD1 2.67Å; K408-D479 PolarHBondContact NZ-OD1 3.32Å
409	V	92.4	Very high	91.4	Very high	41 Å²	41	84.6 Å²	84.6	25%	0.248	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-45	178.5	172.3	0	0	0	0	111.1	V392 M396 M405 E406 R411 W412 F413	V392-V409 HydrophobicContact CG1-CG1 3.88Å; M396-V409 HydrophobicContact CE-CB 4.36Å; M396-V409 HydrophobicContact CE-CG1 4.19Å; M396-V409 HydrophobicContact SD-CB 4.02Å; M396-V409 HydrophobicContact SD-CG1 4.16Å; M396-V409 HydrophobicContact SD-CG2 4.05Å; M405-V409 WeakPolarHBondContact O-CG2 3.31Å; M405-V409 PolarHBondContact O-N 2.86Å; E406-V409 PolarHBondContact O-N 2.95Å; V409-R411 PolarHBondContact O-N 3.28Å; V409-W412 WeakPolarHBondContact O-CB 3.33Å; V409-W412 PolarHBondContact O-N 2.76Å; V409-F413 HydrophobicContact CG1-CD2 3.8Å; V409-F413 HydrophobicContact CG1-CE2 3.7Å; V409-F413 WeakPolarHBondContact O-CD2 3.32Å; V409-F413 PolarHBondContact O-N 3.09Å
410	I	91.8	Very high	90.7	Very high	47 Å²	47	85.9 Å²	85.9	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-46.3	178.3	-66	167.6	0	0	0	110.9	E406 W412 F413 D414	E406-I410 HydrophobicContact CG-CD1 3.93Å; E406-I410 WeakPolarHBondContact O-CG1 3.46Å; E406-I410 PolarHBondContact O-N 3.3Å; I410-W412 VanDerWaalsContact C-N 3.26Å; I410-W412 PolarHBondContact O-N 3.41Å; I410-F413 PolarHBondContact O-N 3.44Å; I410-F413 VanDerWaalsContact O-N 3.14Å; I410-D414 PolarHBondContact O-N 3.35Å
411	R	91.8	Very high	89.7	Confident	151 Å²	151	79.7 Å²	79.7	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-59.8	-34.5	176.2	-80.9	-177.2	-79	166.8	-9.5	113.3	A407 K408 V409 Y415 Y545	A407-R411 WeakPolarHBondContact O-CB 3.45Å; A407-R411 WeakPolarHBondContact O-CG 3.31Å; A407-R411 PolarHBondContact O-N 3.31Å; A407-R411 PolarHBondContact O-NE 3.28Å; A407-R411 VanDerWaalsContact O-NE 3.09Å; K408-R411 PolarHBondContact O-N 3.27Å; V409-R411 PolarHBondContact O-N 3.28Å; R411-Y415 WeakPolarHBondContact O-CB 3.45Å; R411-Y415 PolarHBondContact O-N 2.95Å; R411-Y415 VanDerWaalsContact O-N 3.09Å; R411-Y545 PolarHBondContact O-OH 3.23Å
412	W	90.7	Very high	88.5	Confident	80 Å²	80	80 Å²	80	30%	0.303	39%	0.386	S	S	.	.	H	α-helix	trans	-67.5	-45.3	175	178.1	85	0	0	0	111.6	K408 V409 I410 D414 Y415 L416 V474	K408-W412 PolarHBondContact O-N 2.94Å; K408-W412 VanDerWaalsContact O-N 3.08Å; V409-W412 WeakPolarHBondContact O-CB 3.33Å; V409-W412 PolarHBondContact O-N 2.76Å; I410-W412 VanDerWaalsContact C-N 3.26Å; I410-W412 PolarHBondContact O-N 3.41Å; W412-D414 PolarHBondContact O-N 3.29Å; W412-Y415 WeakPolarHBondContact O-CB 3.39Å; W412-Y415 PolarHBondContact O-N 3.13Å; W412-L416 HydrophobicContact CD2-CD1 3.97Å; W412-L416 HydrophobicContact CD2-CG 4.38Å; W412-L416 HydrophobicContact CE3-CD1 3.82Å; W412-L416 HydrophobicContact CH2-CD1 3.36Å; W412-L416 HydrophobicContact CZ2-CD1 3.51Å; W412-L416 HydrophobicContact CZ2-CG 4.34Å; W412-L416 HydrophobicContact CZ3-CD1 3.52Å; W412-L416 WeakPolarHBondContact O-CG 3.01Å; W412-L416 PolarHBondContact O-N 3.49Å; W412-V474 PolarHBondContact NE1-O 3.16Å
413	F	90.7	Very high	87.1	Confident	33 Å²	33	80.9 Å²	80.9	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-42	174.5	-83.4	-70.4	0	0	0	112.6	F385 I389 V392 V409 I410 Y415 L416 W417	F385-F413 AromaticContact CE2-CD1 3.91Å; F385-F413 HydrophobicContact CE2-CD1 3.91Å; F385-F413 HydrophobicContact CZ-CB 4.19Å; F385-F413 AromaticContact CZ-CD1 3.91Å; F385-F413 HydrophobicContact CZ-CD1 3.91Å; F385-F413 WeakPolarHBondContact CZ-O 3.44Å; I389-F413 HydrophobicContact CD1-CB 4.04Å; I389-F413 HydrophobicContact CD1-CG 4.43Å; I389-F413 HydrophobicContact CG1-CB 4.11Å; I389-F413 HydrophobicContact CG1-CD1 4.02Å; I389-F413 HydrophobicContact CG1-CD2 4.47Å; I389-F413 HydrophobicContact CG1-CG 3.96Å; V392-F413 HydrophobicContact CB-CE2 4.36Å; V392-F413 HydrophobicContact CG1-CE2 4.15Å; V392-F413 HydrophobicContact CG2-CE2 4.22Å; V392-F413 HydrophobicContact CG2-CZ 4.1Å; V409-F413 HydrophobicContact CG1-CD2 3.8Å; V409-F413 HydrophobicContact CG1-CE2 3.7Å; V409-F413 WeakPolarHBondContact O-CD2 3.32Å; V409-F413 PolarHBondContact O-N 3.09Å; I410-F413 PolarHBondContact O-N 3.44Å; I410-F413 VanDerWaalsContact O-N 3.14Å; F413-Y415 VanDerWaalsContact C-N 3.3Å; F413-Y415 PolarHBondContact O-N 3.4Å; F413-L416 PolarHBondContact O-N 3.2Å; F413-W417 PolarHBondContact O-N 3.09Å
414	D	89.4	Confident	86.3	Confident	82 Å²	82	78.1 Å²	78.1	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-40	176.5	-71	-22.8	0	0	0	111.6	I410 W412 W417 T418	I410-D414 PolarHBondContact O-N 3.35Å; W412-D414 PolarHBondContact O-N 3.29Å; D414-W417 PolarHBondContact O-N 3.43Å; D414-T418 WeakPolarHBondContact O-CB 3.36Å; D414-T418 PolarHBondContact O-N 3.35Å; D414-T418 PolarHBondContact O-OG1 3.41Å
415	Y	89.7	Confident	85.4	Confident	39 Å²	39	73.8 Å²	73.8	15%	0.153	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-45.1	174.2	175.1	-91.4	0	0	0	111.8	R411 W412 F413 W417 N419 K421 V474 Y545	R411-Y415 WeakPolarHBondContact O-CB 3.45Å; R411-Y415 PolarHBondContact O-N 2.95Å; R411-Y415 VanDerWaalsContact O-N 3.09Å; W412-Y415 WeakPolarHBondContact O-CB 3.39Å; W412-Y415 PolarHBondContact O-N 3.13Å; F413-Y415 VanDerWaalsContact C-N 3.3Å; F413-Y415 PolarHBondContact O-N 3.4Å; Y415-W417 VanDerWaalsContact C-N 3.34Å; Y415-W417 PolarHBondContact O-N 2.91Å; Y415-N419 WeakPolarHBondContact CD2-ND2 3.34Å; Y415-N419 WeakPolarHBondContact CE2-ND2 3.44Å; Y415-N419 VanDerWaalsContact CZ-ND2 3.3Å; Y415-N419 WeakPolarHBondContact O-CB 3.38Å; Y415-N419 PolarHBondContact O-N 2.88Å; Y415-N419 VanDerWaalsContact O-N 3.16Å; Y415-N419 PolarHBondContact O-ND2 3.38Å; Y415-K421 HydrophobicContact CE1-CD 4.28Å; Y415-K421 PolarHBondContact OH-NZ 3.14Å; Y415-V474 HydrophobicContact CD1-CG1 4.07Å; Y415-V474 HydrophobicContact CE1-CG1 3.69Å; Y415-Y545 AromaticContact CD1-CD1 3.45Å; Y415-Y545 HydrophobicContact CD1-CD1 3.45Å; Y415-Y545 VanDerWaalsContact CD1-CD1 3.45Å; Y415-Y545 AromaticContact CD1-CE1 3.8Å; Y415-Y545 HydrophobicContact CD1-CE1 3.8Å; Y415-Y545 AromaticContact CD1-CG 3.99Å; Y415-Y545 HydrophobicContact CD1-CG 3.99Å; Y415-Y545 AromaticContact CD2-CD1 3.6Å; Y415-Y545 HydrophobicContact CD2-CD1 3.6Å; Y415-Y545 AromaticContact CD2-CD2 3.46Å; Y415-Y545 HydrophobicContact CD2-CD2 3.46Å; Y415-Y545 VanDerWaalsContact CD2-CD2 3.46Å; Y415-Y545 AromaticContact CD2-CE1 3.81Å; Y415-Y545 HydrophobicContact CD2-CE1 3.81Å; Y415-Y545 AromaticContact CD2-CE2 3.69Å; Y415-Y545 HydrophobicContact CD2-CE2 3.69Å; Y415-Y545 AromaticContact CD2-CG 3.4Å; Y415-Y545 HydrophobicContact CD2-CG 3.4Å; Y415-Y545 VanDerWaalsContact CD2-CG 3.4Å; Y415-Y545 AromaticContact CD2-CZ 3.84Å; Y415-Y545 AromaticContact CE1-CD1 3.73Å; Y415-Y545 HydrophobicContact CE1-CD1 3.73Å; Y415-Y545 AromaticContact CE1-CG 3.93Å; Y415-Y545 HydrophobicContact CE1-CG 3.93Å; Y415-Y545 AromaticContact CE2-CD1 3.85Å; Y415-Y545 HydrophobicContact CE2-CD1 3.85Å; Y415-Y545 AromaticContact CE2-CD2 3.57Å; Y415-Y545 HydrophobicContact CE2-CD2 3.57Å; Y415-Y545 HydrophobicContact CE2-CE2 4.28Å; Y415-Y545 AromaticContact CE2-CG 3.31Å; Y415-Y545 HydrophobicContact CE2-CG 3.31Å; Y415-Y545 AromaticContact CG-CD1 3.41Å; Y415-Y545 HydrophobicContact CG-CD1 3.41Å; Y415-Y545 VanDerWaalsContact CG-CD1 3.41Å; Y415-Y545 HydrophobicContact CG-CD2 4.12Å; Y415-Y545 AromaticContact CG-CE1 3.42Å; Y415-Y545 HydrophobicContact CG-CE1 3.42Å; Y415-Y545 VanDerWaalsContact CG-CE1 3.42Å; Y415-Y545 HydrophobicContact CG-CE2 4.14Å; Y415-Y545 AromaticContact CG-CG 3.76Å; Y415-Y545 HydrophobicContact CG-CG 3.76Å; Y415-Y545 AromaticContact CG-CZ 3.79Å; Y415-Y545 AromaticContact CZ-CD1 3.93Å; Y415-Y545 AromaticContact CZ-CG 3.61Å; Y415-Y545 WeakPolarHBondContact OH-CB 3.34Å
416	L	88.4	Confident	84.6	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-44.2	177.5	-70.9	-178.8	0	0	0	111.5	W412 F413 K420 K421 T422 V474	W412-L416 HydrophobicContact CD2-CD1 3.97Å; W412-L416 HydrophobicContact CD2-CG 4.38Å; W412-L416 HydrophobicContact CE3-CD1 3.82Å; W412-L416 HydrophobicContact CH2-CD1 3.36Å; W412-L416 HydrophobicContact CZ2-CD1 3.51Å; W412-L416 HydrophobicContact CZ2-CG 4.34Å; W412-L416 HydrophobicContact CZ3-CD1 3.52Å; W412-L416 WeakPolarHBondContact O-CG 3.01Å; W412-L416 PolarHBondContact O-N 3.49Å; F413-L416 PolarHBondContact O-N 3.2Å; L416-K420 PolarHBondContact O-N 3.22Å; L416-K421 HydrophobicContact CD2-CB 3.95Å; L416-K421 PolarHBondContact O-N 2.91Å; L416-T422 HydrophobicContact CB-CG2 3.94Å; L416-V474 HydrophobicContact CD2-CB 4.12Å; L416-V474 HydrophobicContact CD2-CG1 4.19Å; L416-V474 HydrophobicContact CD2-CG2 3.95Å
417	W	86.8	Confident	84	Confident	87 Å²	87	79.3 Å²	79.3	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-51.2	179.6	-177.1	-103.6	0	0	0	112.3	R382 F385 F413 D414 Y415 N419 K420 T422	R382-W417 HydrophobicContact CB-CH2 3.7Å; R382-W417 HydrophobicContact CB-CZ2 4.01Å; R382-W417 HydrophobicContact CG-CH2 3.9Å; R382-W417 HydrophobicContact CG-CZ2 3.78Å; F385-W417 HydrophobicContact CB-CE3 3.9Å; F385-W417 HydrophobicContact CB-CZ3 3.61Å; F385-W417 HydrophobicContact CD1-CB 4.37Å; F385-W417 AromaticContact CD1-CD2 3.75Å; F385-W417 HydrophobicContact CD1-CD2 3.75Å; F385-W417 AromaticContact CD1-CE3 3.18Å; F385-W417 HydrophobicContact CD1-CE3 3.18Å; F385-W417 HydrophobicContact CD1-CG 4.24Å; F385-W417 AromaticContact CD1-CZ3 3.77Å; F385-W417 HydrophobicContact CD1-CZ3 3.77Å; F385-W417 HydrophobicContact CD2-CE3 4.09Å; F385-W417 HydrophobicContact CE1-CB 3.55Å; F385-W417 AromaticContact CE1-CD2 3.85Å; F385-W417 HydrophobicContact CE1-CD2 3.85Å; F385-W417 AromaticContact CE1-CE3 3.59Å; F385-W417 HydrophobicContact CE1-CE3 3.59Å; F385-W417 AromaticContact CE1-CG 3.84Å; F385-W417 HydrophobicContact CE1-CG 3.84Å; F385-W417 HydrophobicContact CE2-CE3 4.46Å; F385-W417 HydrophobicContact CG-CD2 4.43Å; F385-W417 AromaticContact CG-CE3 3.44Å; F385-W417 HydrophobicContact CG-CE3 3.44Å; F385-W417 VanDerWaalsContact CG-CE3 3.44Å; F385-W417 AromaticContact CG-CZ3 3.73Å; F385-W417 HydrophobicContact CG-CZ3 3.73Å; F385-W417 HydrophobicContact CZ-CB 3.8Å; F385-W417 HydrophobicContact CZ-CE3 4.23Å; F413-W417 PolarHBondContact O-N 3.09Å; D414-W417 PolarHBondContact O-N 3.43Å; Y415-W417 VanDerWaalsContact C-N 3.34Å; Y415-W417 PolarHBondContact O-N 2.91Å; W417-N419 VanDerWaalsContact C-N 3.25Å; W417-N419 PolarHBondContact O-N 3.38Å; W417-K420 PolarHBondContact O-N 3.37Å; W417-T422 HydrophobicContact CB-CG2 4.38Å; W417-T422 HydrophobicContact CE3-CG2 4.08Å
418	T	87.1	Confident	83.6	Confident	106 Å²	106	81.6 Å²	81.6	65%	0.65	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-36.7	-175.8	-54.7	0	0	0	0	111.6	D414 K420	D414-T418 WeakPolarHBondContact O-CB 3.36Å; D414-T418 PolarHBondContact O-N 3.35Å; D414-T418 PolarHBondContact O-OG1 3.41Å; T418-K420 VanDerWaalsContact C-N 3.34Å
419	N	84.9	Confident	83.1	Confident	75 Å²	75	78.7 Å²	78.7	40%	0.401	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.8	179	-62.9	-61.7	0	0	0	114	Y415 W417 K421	Y415-N419 WeakPolarHBondContact CD2-ND2 3.34Å; Y415-N419 WeakPolarHBondContact CE2-ND2 3.44Å; Y415-N419 VanDerWaalsContact CZ-ND2 3.3Å; Y415-N419 WeakPolarHBondContact O-CB 3.38Å; Y415-N419 PolarHBondContact O-N 2.88Å; Y415-N419 VanDerWaalsContact O-N 3.16Å; Y415-N419 PolarHBondContact O-ND2 3.38Å; W417-N419 VanDerWaalsContact C-N 3.25Å; W417-N419 PolarHBondContact O-N 3.38Å; N419-K421 HydrophobicContact CB-CD 4.15Å; N419-K421 HydrophobicContact CB-CG 4.1Å; N419-K421 PolarHBondContact O-N 2.93Å
420	K	80.9	Confident	82.7	Confident	183 Å²	183	83 Å²	83	80%	0.796	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.6	-179.3	-54.8	-178.4	-179.7	179.9	0	113.8	L416 W417 T418 T422	L416-K420 PolarHBondContact O-N 3.22Å; W417-K420 PolarHBondContact O-N 3.37Å; T418-K420 VanDerWaalsContact C-N 3.34Å; K420-T422 VanDerWaalsContact C-N 3.33Å
421	K	75.7	Confident	82.4	Confident	59 Å²	59	87.8 Å²	87.8	26%	0.257	42%	0.419	S	S	.	.			trans	-94.9	19.5	179	-63.8	-179.9	-176.8	173.5	0	112.8	Y415 L416 N419 V474 D547	Y415-K421 HydrophobicContact CE1-CD 4.28Å; Y415-K421 PolarHBondContact OH-NZ 3.14Å; L416-K421 HydrophobicContact CD2-CB 3.95Å; L416-K421 PolarHBondContact O-N 2.91Å; N419-K421 HydrophobicContact CB-CD 4.15Å; N419-K421 HydrophobicContact CB-CG 4.1Å; N419-K421 PolarHBondContact O-N 2.93Å; K421-V474 HydrophobicContact CD-CG2 4.29Å; K421-D547 WeakPolarHBondContact CE-OD2 3.29Å; K421-D547 IonicContact NZ-OD1 3.37Å; K421-D547 PolarHBondContact NZ-OD1 3.24Å; K421-D547 IonicContact NZ-OD2 2.66Å; K421-D547 PolarHBondContact NZ-OD2 2.92Å
422	T	68.6	Low	82.1	Confident	45 Å²	45	83.5 Å²	83.5	28%	0.276	41%	0.407	S	S	.	.			trans	-87.5	-9.8	-175.9	52.2	0	0	0	0	113.8	F385 L416 W417 K420	F385-T422 HydrophobicContact CD2-CG2 3.72Å; F385-T422 HydrophobicContact CE2-CG2 3.34Å; F385-T422 HydrophobicContact CZ-CG2 3.86Å; L416-T422 HydrophobicContact CB-CG2 3.94Å; W417-T422 HydrophobicContact CB-CG2 4.38Å; W417-T422 HydrophobicContact CE3-CG2 4.08Å; K420-T422 VanDerWaalsContact C-N 3.33Å
423	V	68.8	Low	82.1	Confident	82 Å²	82	83.7 Å²	83.7	50%	0.497	42%	0.418	S	S	.	.	S	Bend	trans	-89.1	120.8	-175.5	-177	0	0	0	0	108.8	E425 V428	V423-E425 PolarHBondContact O-N 3.03Å; V423-V428 HydrophobicContact CG1-CG2 3.24Å
424	D	73.7	Confident	81.7	Confident	90 Å²	90	85.3 Å²	85.3	48%	0.481	44%	0.438	S	S	.	.			trans	-71.3	108.6	169.9	-171.4	-14.2	0	0	0	108.8	R426 E427 V428	D424-R426 PolarHBondContact O-N 3.35Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 WeakPolarHBondContact OD1-CB 3.41Å; D424-R426 PolarHBondContact OD1-N 2.83Å; D424-E427 HydrophobicContact CB-CB 4.28Å; D424-E427 HydrophobicContact CB-CG 4.32Å; D424-E427 PolarHBondContact O-N 3.36Å; D424-V428 PolarHBondContact O-N 2.92Å
425	E	75	Confident	81.5	Confident	71 Å²	71	88.7 Å²	88.7	33%	0.332	45%	0.449	S	S	.	.	H	α-helix	trans	-55.1	-32.2	179.3	-67.2	179.4	171.1	0	0	111.4	V423 L429 H445	V423-E425 PolarHBondContact O-N 3.03Å; E425-L429 WeakPolarHBondContact O-CB 3.35Å; E425-L429 WeakPolarHBondContact O-CG 3.35Å; E425-L429 PolarHBondContact O-N 3.15Å; E425-H445 IonicContact OE2-CE1 3.97Å; E425-H445 IonicContact OE2-NE2 3.98Å
426	R	74	Confident	81.4	Confident	135 Å²	135	90.7 Å²	90.7	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-69	-40.9	-179.5	-68.4	-179.1	167.1	-160.8	-9.8	112.4	D424 L429 K430	D424-R426 PolarHBondContact O-N 3.35Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 WeakPolarHBondContact OD1-CB 3.41Å; D424-R426 PolarHBondContact OD1-N 2.83Å; R426-L429 PolarHBondContact O-N 3.21Å; R426-K430 WeakPolarHBondContact O-CB 3.44Å; R426-K430 PolarHBondContact O-N 3.36Å; R426-K430 VanDerWaalsContact O-N 3.1Å
427	E	79.9	Confident	81.2	Confident	111 Å²	111	95.2 Å²	95.2	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-68.9	-38.9	178.5	-75.8	-64.1	132.5	0	0	111.2	D424 L429 K430	D424-E427 HydrophobicContact CB-CB 4.28Å; D424-E427 HydrophobicContact CB-CG 4.32Å; D424-E427 PolarHBondContact O-N 3.36Å; E427-L429 PolarHBondContact O-N 2.92Å; E427-K430 WeakPolarHBondContact O-CB 3.26Å; E427-K430 PolarHBondContact O-N 3.47Å; E427-K430 IonicContact OE1-NZ 3.45Å
428	V	82.6	Confident	80.9	Confident	87 Å²	87	92 Å²	92	53%	0.527	47%	0.47	S	S	.	.	H	α-helix	trans	-64.9	-40.4	176.3	176.9	0	0	0	0	111.8	V423 D424 K430	V423-V428 HydrophobicContact CG1-CG2 3.24Å; D424-V428 PolarHBondContact O-N 2.92Å; V428-K430 VanDerWaalsContact C-N 3.32Å
429	L	81.3	Confident	80.8	Confident	35 Å²	35	89.8 Å²	89.8	18%	0.183	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-85.8	-2.1	-177.1	-59.6	174.9	0	0	0	113.5	E425 R426 E427 N431 L432 R437 I440	E425-L429 WeakPolarHBondContact O-CB 3.35Å; E425-L429 WeakPolarHBondContact O-CG 3.35Å; E425-L429 PolarHBondContact O-N 3.15Å; R426-L429 PolarHBondContact O-N 3.21Å; E427-L429 PolarHBondContact O-N 2.92Å; L429-N431 VanDerWaalsContact C-N 3.32Å; L429-N431 PolarHBondContact O-N 3.05Å; L429-L432 HydrophobicContact CB-CD1 4.49Å; L429-L432 HydrophobicContact CD2-CD1 3.52Å; L429-L432 PolarHBondContact O-N 3.22Å; L429-R437 HydrophobicContact CB-CG 4.06Å; L429-R437 HydrophobicContact CD1-CG 4.39Å; L429-I440 HydrophobicContact CD2-CD1 4.12Å; L429-I440 HydrophobicContact CD2-CG2 4.23Å
430	K	84	Confident	80.9	Confident	130 Å²	130	89.5 Å²	89.5	57%	0.565	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-65	-33.5	-176.4	-173	177.2	-179.5	177	0	113.5	R426 E427 V428 L432	R426-K430 WeakPolarHBondContact O-CB 3.44Å; R426-K430 PolarHBondContact O-N 3.36Å; R426-K430 VanDerWaalsContact O-N 3.1Å; E427-K430 WeakPolarHBondContact O-CB 3.26Å; E427-K430 PolarHBondContact O-N 3.47Å; E427-K430 IonicContact OE1-NZ 3.45Å; V428-K430 VanDerWaalsContact C-N 3.32Å; K430-L432 VanDerWaalsContact C-N 3.29Å
431	N	86.1	Confident	80.9	Confident	148 Å²	148	81.2 Å²	81.2	79%	0.791	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-83.7	-5.4	-178.5	-64.6	-27.7	0	0	0	113.2	L429	L429-N431 VanDerWaalsContact C-N 3.32Å; L429-N431 PolarHBondContact O-N 3.05Å
432	L	86.8	Confident	81.3	Confident	62 Å²	62	78.7 Å²	78.7	33%	0.325	41%	0.405	S	S	.	.	S	Bend	trans	-87.2	142.1	179.6	-64	173.8	0	0	0	110.8	L429 K430 I440	L429-L432 HydrophobicContact CB-CD1 4.49Å; L429-L432 HydrophobicContact CD2-CD1 3.52Å; L429-L432 PolarHBondContact O-N 3.22Å; K430-L432 VanDerWaalsContact C-N 3.29Å; L432-I440 HydrophobicContact CD1-CD1 3.57Å
433	P	89.3	Confident	82	Confident	83 Å²	83	81.6 Å²	81.6	54%	0.539	42%	0.419	S	S	.	.			trans	-52.7	145.2	167.6	-25	32.7	0	0	0	111.8	K435 L436 R437	P433-K435 PolarHBondContact O-N 3.36Å; P433-K435 VanDerWaalsContact O-N 3.07Å; P433-L436 HydrophobicContact CG-CD1 4.38Å; P433-L436 PolarHBondContact O-N 2.98Å; P433-R437 PolarHBondContact O-N 2.99Å
434	A	82.6	Confident	82.6	Confident	67 Å²	67	81.2 Å²	81.2	55%	0.554	42%	0.416	S	S	*	.	H	α-helix	trans	-52.3	-37.5	-175.8	0	0	0	0	0	113.3	A438	A434-A438 WeakPolarHBondContact O-CB 3.43Å; A434-A438 PolarHBondContact O-N 3.37Å
435	K	84.8	Confident	83	Confident	154 Å²	154	77.6 Å²	77.6	67%	0.67	40%	0.397	S	S	*	.	H	α-helix	trans	-61.5	-51	176.5	-172.4	178.4	178.4	-174.7	0	112.6	P433 R437 A438 E439	P433-K435 PolarHBondContact O-N 3.36Å; P433-K435 VanDerWaalsContact O-N 3.07Å; K435-R437 VanDerWaalsContact C-N 3.35Å; K435-R437 PolarHBondContact O-N 2.99Å; K435-A438 PolarHBondContact O-N 3.48Å; K435-E439 VanDerWaalsContact CE-OE1 3.23Å; K435-E439 WeakPolarHBondContact CE-OE1 3.49Å; K435-E439 WeakPolarHBondContact O-CG 3.33Å; K435-E439 PolarHBondContact O-N 2.94Å
436	L	87.3	Confident	83.4	Confident	80 Å²	80	74.3 Å²	74.3	42%	0.419	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-38	179.5	-69.6	-179.7	0	0	0	111.9	P433 A438 E439 I440	P433-L436 HydrophobicContact CG-CD1 4.38Å; P433-L436 PolarHBondContact O-N 2.98Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 3.24Å; L436-E439 PolarHBondContact O-N 3.37Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.34Å; L436-I440 PolarHBondContact O-N 3.1Å
437	R	84.1	Confident	83.8	Confident	109 Å²	109	70.5 Å²	70.5	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-43.4	174.4	-178	175.2	65.8	-176.9	0.4	111.5	L429 P433 K435 A441	L429-R437 HydrophobicContact CB-CG 4.06Å; L429-R437 HydrophobicContact CD1-CG 4.39Å; P433-R437 PolarHBondContact O-N 2.99Å; K435-R437 VanDerWaalsContact C-N 3.35Å; K435-R437 PolarHBondContact O-N 2.99Å; R437-A441 WeakPolarHBondContact O-CB 3.48Å; R437-A441 PolarHBondContact O-N 3.45Å
438	A	81.6	Confident	83.9	Confident	20 Å²	20	66.1 Å²	66.1	17%	0.165	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-47.8	175.4	0	0	0	0	0	111.6	A434 K435 L436 I440 A441 I442 L468	A434-A438 WeakPolarHBondContact O-CB 3.43Å; A434-A438 PolarHBondContact O-N 3.37Å; K435-A438 PolarHBondContact O-N 3.48Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 3.24Å; A438-I440 PolarHBondContact O-N 2.89Å; A438-A441 PolarHBondContact O-N 2.87Å; A438-I442 WeakPolarHBondContact O-CB 3.33Å; A438-I442 WeakPolarHBondContact O-CD1 3.42Å; A438-I442 WeakPolarHBondContact O-CG1 3.4Å; A438-I442 PolarHBondContact O-N 2.87Å; A438-L468 HydrophobicContact CB-CD1 4.27Å; A438-L468 HydrophobicContact CB-CD2 4.05Å
439	E	85.1	Confident	84	Confident	59 Å²	59	62 Å²	62	28%	0.276	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-43.7	178.5	-73.6	174	-164.4	0	0	112.8	K435 L436 N443	K435-E439 VanDerWaalsContact CE-OE1 3.23Å; K435-E439 WeakPolarHBondContact CE-OE1 3.49Å; K435-E439 WeakPolarHBondContact O-CG 3.33Å; K435-E439 PolarHBondContact O-N 2.94Å; L436-E439 PolarHBondContact O-N 3.37Å; E439-N443 WeakPolarHBondContact O-CB 3.45Å; E439-N443 PolarHBondContact O-N 2.73Å
440	I	86.4	Confident	84.1	Confident	69 Å²	69	64.6 Å²	64.6	35%	0.354	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-50.2	176	-68.2	167	0	0	0	110.4	L429 L432 L436 A438 I442 N443 V444	L429-I440 HydrophobicContact CD2-CD1 4.12Å; L429-I440 HydrophobicContact CD2-CG2 4.23Å; L432-I440 HydrophobicContact CD1-CD1 3.57Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.34Å; L436-I440 PolarHBondContact O-N 3.1Å; A438-I440 PolarHBondContact O-N 2.89Å; I440-I442 VanDerWaalsContact C-N 3.3Å; I440-I442 PolarHBondContact O-N 2.93Å; I440-N443 PolarHBondContact O-N 2.89Å; I440-N443 VanDerWaalsContact O-N 3.13Å; I440-V444 HydrophobicContact CG2-CG2 4.21Å; I440-V444 VanDerWaalsContact O-CG2 3.32Å; I440-V444 WeakPolarHBondContact O-CG2 3.5Å; I440-V444 PolarHBondContact O-N 3.38Å
441	A	81.5	Confident	84	Confident	10 Å²	10	65.7 Å²	65.7	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-43.5	-178.4	0	0	0	0	0	111.3	R437 A438 V444 H445 V467 L468	R437-A441 WeakPolarHBondContact O-CB 3.48Å; R437-A441 PolarHBondContact O-N 3.45Å; A438-A441 PolarHBondContact O-N 2.87Å; A441-V444 PolarHBondContact O-N 2.97Å; A441-H445 WeakPolarHBondContact O-CB 3.37Å; A441-H445 PolarHBondContact O-CD2 2.85Å; A441-H445 PolarHBondContact O-N 2.91Å; A441-V467 HydrophobicContact CB-CG1 3.62Å; A441-V467 WeakPolarHBondContact O-CG1 3.1Å; A441-L468 HydrophobicContact CB-CD2 3.98Å
442	I	83.7	Confident	83.9	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-48.9	174.9	-65.4	163.9	0	0	0	110.2	F94 A438 I440 V444 L446 V464	F94-I442 HydrophobicContact CE2-CD1 3.95Å; A438-I442 WeakPolarHBondContact O-CB 3.33Å; A438-I442 WeakPolarHBondContact O-CD1 3.42Å; A438-I442 WeakPolarHBondContact O-CG1 3.4Å; A438-I442 PolarHBondContact O-N 2.87Å; I440-I442 VanDerWaalsContact C-N 3.3Å; I440-I442 PolarHBondContact O-N 2.93Å; I442-V444 VanDerWaalsContact C-N 3.31Å; I442-V444 PolarHBondContact O-N 2.94Å; I442-L446 HydrophobicContact CG2-CB 4.12Å; I442-L446 HydrophobicContact CG2-CD2 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.47Å; I442-L446 WeakPolarHBondContact O-CB 3.44Å; I442-L446 PolarHBondContact O-N 3.49Å; I442-V464 HydrophobicContact CD1-CB 4.25Å; I442-V464 HydrophobicContact CD1-CG1 3.55Å; I442-V464 HydrophobicContact CD1-CG2 3.77Å; I442-V464 HydrophobicContact CG1-CB 4.36Å; I442-V464 HydrophobicContact CG1-CG1 3.93Å; I442-V464 HydrophobicContact CG1-CG2 3.99Å
443	N	83.4	Confident	83.4	Confident	105 Å²	105	64.9 Å²	64.9	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-64.3	-35	-178.3	-80.6	-19.6	0	0	0	113.2	E439 I440	E439-N443 WeakPolarHBondContact O-CB 3.45Å; E439-N443 PolarHBondContact O-N 2.73Å; I440-N443 PolarHBondContact O-N 2.89Å; I440-N443 VanDerWaalsContact O-N 3.13Å
444	V	81.6	Confident	82.8	Confident	74 Å²	74	61.1 Å²	61.1	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-79.5	-45.2	-179.1	179.1	0	0	0	0	111.8	I440 A441 I442	I440-V444 HydrophobicContact CG2-CG2 4.21Å; I440-V444 VanDerWaalsContact O-CG2 3.32Å; I440-V444 WeakPolarHBondContact O-CG2 3.5Å; I440-V444 PolarHBondContact O-N 3.38Å; A441-V444 PolarHBondContact O-N 2.97Å; I442-V444 VanDerWaalsContact C-N 3.31Å; I442-V444 PolarHBondContact O-N 2.94Å
445	H	82.1	Confident	82.6	Confident	14 Å²	14	58 Å²	58	7%	0.065	28%	0.277	C	S	.	.	H	α-helix	trans	-105.2	-21	-166.4	-56.4	-55.3	0	0	0	114.9	E425 A441 S447 T448 L449 V467 F549	E425-H445 IonicContact OE2-CE1 3.97Å; E425-H445 IonicContact OE2-NE2 3.98Å; A441-H445 WeakPolarHBondContact O-CB 3.37Å; A441-H445 PolarHBondContact O-CD2 2.85Å; A441-H445 PolarHBondContact O-N 2.91Å; H445-S447 PolarHBondContact O-N 2.82Å; H445-T448 WeakPolarHBondContact O-CB 3.48Å; H445-T448 PolarHBondContact O-N 3.2Å; H445-L449 HydrophobicContact CB-CD1 4.16Å; H445-L449 VanDerWaalsContact O-CD1 3.24Å; H445-L449 WeakPolarHBondContact O-CD1 3.22Å; H445-L449 PolarHBondContact O-N 3.37Å; H445-L449 VanDerWaalsContact O-N 3.12Å; H445-V467 HydrophobicContact CB-CG1 3.95Å; H445-V467 HydrophobicContact CB-CG2 4.04Å; H445-F549 AromaticContact CE1-CE1 3.59Å; H445-F549 AromaticContact CE1-CZ 3.44Å; H445-F549 VanDerWaalsContact CE1-CZ 3.44Å; H445-F549 WeakPolarHBondContact CE1-CZ 3.39Å; H445-F549 AromaticContact ND1-CE1 3.65Å; H445-F549 AromaticContact ND1-CE2 3.89Å; H445-F549 AromaticContact ND1-CZ 3.12Å; H445-F549 WeakPolarHBondContact ND1-CZ 3.32Å
446	L	83	Confident	82.3	Confident	2 Å²	2	57 Å²	57	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-34.5	-175.5	-176.2	66.4	0	0	0	112.3	I442 T448 L449 K450 L463	I442-L446 HydrophobicContact CG2-CB 4.12Å; I442-L446 HydrophobicContact CG2-CD2 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.47Å; I442-L446 WeakPolarHBondContact O-CB 3.44Å; I442-L446 PolarHBondContact O-N 3.49Å; L446-T448 VanDerWaalsContact C-N 3.28Å; L446-T448 PolarHBondContact O-N 2.86Å; L446-L449 PolarHBondContact O-N 3.28Å; L446-K450 HydrophobicContact CD1-CG 4.27Å; L446-K450 HydrophobicContact CG-CD 4.24Å; L446-K450 HydrophobicContact CG-CG 4.3Å; L446-K450 WeakPolarHBondContact O-CB 3.2Å; L446-K450 WeakPolarHBondContact O-CG 3.49Å; L446-K450 PolarHBondContact O-N 3.38Å; L446-L463 HydrophobicContact CD1-CB 3.8Å; L446-L463 HydrophobicContact CD1-CD1 4.04Å
447	S	82.6	Confident	81.8	Confident	56 Å²	56	59.3 Å²	59.3	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-31	177.4	71.3	0	0	0	0	112.8	H445 K451	H445-S447 PolarHBondContact O-N 2.82Å; S447-K451 WeakPolarHBondContact O-CD 3.47Å; S447-K451 VanDerWaalsContact O-CG 3.31Å; S447-K451 WeakPolarHBondContact O-CG 3.27Å
448	T	82.2	Confident	81.7	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-75.4	-46.7	175.4	-54.4	0	0	0	0	110.5	H445 L446 K450 K451 V452 I493 K495 F549	H445-T448 WeakPolarHBondContact O-CB 3.48Å; H445-T448 PolarHBondContact O-N 3.2Å; L446-T448 VanDerWaalsContact C-N 3.28Å; L446-T448 PolarHBondContact O-N 2.86Å; T448-K450 PolarHBondContact O-N 3Å; T448-K451 PolarHBondContact O-N 3.45Å; T448-V452 WeakPolarHBondContact O-CG2 3.45Å; T448-I493 HydrophobicContact CG2-CG2 4.4Å; T448-K495 HydrophobicContact CG2-CG 4.5Å; T448-F549 HydrophobicContact CG2-CD2 4.44Å; T448-F549 HydrophobicContact CG2-CE2 4.28Å
449	L	83.7	Confident	81.8	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-41.5	178.4	-80	88.6	0	0	0	112.4	H445 L446 K451 V452 L463 L466 V467 L470	H445-L449 HydrophobicContact CB-CD1 4.16Å; H445-L449 VanDerWaalsContact O-CD1 3.24Å; H445-L449 WeakPolarHBondContact O-CD1 3.22Å; H445-L449 PolarHBondContact O-N 3.37Å; H445-L449 VanDerWaalsContact O-N 3.12Å; L446-L449 PolarHBondContact O-N 3.28Å; L449-K451 PolarHBondContact O-N 3.29Å; L449-V452 WeakPolarHBondContact O-CB 3.29Å; L449-V452 PolarHBondContact O-N 3.11Å; L449-L463 HydrophobicContact CD2-CD2 4.38Å; L449-L466 HydrophobicContact CD2-CB 3.99Å; L449-V467 HydrophobicContact CD1-CG2 3.38Å; L449-V467 HydrophobicContact CD2-CG2 4.05Å; L449-V467 HydrophobicContact CG-CG2 4.28Å; L449-L470 HydrophobicContact CD1-CD1 3.5Å; L449-L470 HydrophobicContact CG-CD1 4.28Å
450	K	83.8	Confident	81.6	Confident	89 Å²	89	58.9 Å²	58.9	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-23.9	178.6	-78	-169.9	174.2	-164.1	0	113.7	L446 T448 V452 L463	L446-K450 HydrophobicContact CD1-CG 4.27Å; L446-K450 HydrophobicContact CG-CD 4.24Å; L446-K450 HydrophobicContact CG-CG 4.3Å; L446-K450 WeakPolarHBondContact O-CB 3.2Å; L446-K450 WeakPolarHBondContact O-CG 3.49Å; L446-K450 PolarHBondContact O-N 3.38Å; T448-K450 PolarHBondContact O-N 3Å; K450-V452 VanDerWaalsContact C-N 3.31Å; K450-L463 HydrophobicContact CG-CD1 4.07Å
451	K	82.8	Confident	81.5	Confident	153 Å²	153	56.8 Å²	56.8	67%	0.665	29%	0.289	S	S	*	.	H	α-helix	trans	-77.5	-18.8	174.5	-70.6	171.8	-175.7	-178.9	0	112.5	S447 T448 L449 R453	S447-K451 WeakPolarHBondContact O-CD 3.47Å; S447-K451 VanDerWaalsContact O-CG 3.31Å; S447-K451 WeakPolarHBondContact O-CG 3.27Å; T448-K451 PolarHBondContact O-N 3.45Å; L449-K451 PolarHBondContact O-N 3.29Å; K451-R453 PolarHBondContact O-N 3.45Å
452	V	82.9	Confident	81.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.285	C	S	.	.	S	Bend	trans	-76.1	120.6	-179.2	-171.2	0	0	0	0	109.2	T448 L449 K450 I454 F455 H456 I493 G516 C518	T448-V452 WeakPolarHBondContact O-CG2 3.45Å; L449-V452 WeakPolarHBondContact O-CB 3.29Å; L449-V452 PolarHBondContact O-N 3.11Å; K450-V452 VanDerWaalsContact C-N 3.31Å; V452-I454 HydrophobicContact CG1-CG2 3.8Å; V452-I454 PolarHBondContact O-N 2.93Å; V452-I454 VanDerWaalsContact O-N 3.11Å; V452-F455 HydrophobicContact CB-CD2 3.92Å; V452-F455 HydrophobicContact CG1-CD2 3.9Å; V452-F455 HydrophobicContact CG1-CE2 4.41Å; V452-F455 HydrophobicContact CG2-CD2 4.49Å; V452-F455 PolarHBondContact O-N 3.31Å; V452-H456 PolarHBondContact O-N 3Å; V452-I493 HydrophobicContact CG2-CG2 3.52Å; V452-G516 WeakPolarHBondContact CA-O 3.43Å; V452-C518 HydrophobicContact CG1-CB 3.74Å; V452-C518 VanDerWaalsContact CG1-SG 3.6Å
453	R	76.6	Confident	81.8	Confident	193 Å²	193	56.3 Å²	56.3	73%	0.728	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31.5	-175	-67.1	-176.2	174.4	-174.2	-1.9	114.1	K451 F455	K451-R453 PolarHBondContact O-N 3.45Å; R453-F455 VanDerWaalsContact C-N 3.28Å; R453-F455 PolarHBondContact O-N 3.4Å
454	I	76.6	Confident	81.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-73.8	-21.7	-179.3	-155.2	163.8	0	0	0	112.9	V452 E521 L570	V452-I454 HydrophobicContact CG1-CG2 3.8Å; V452-I454 PolarHBondContact O-N 2.93Å; V452-I454 VanDerWaalsContact O-N 3.11Å; I454-E521 HydrophobicContact CD1-CB 4.31Å; I454-E521 HydrophobicContact CD1-CG 4.12Å; I454-L570 HydrophobicContact CD1-CD2 4.44Å; I454-L570 HydrophobicContact CD1-CG 3.86Å; I454-L570 HydrophobicContact CG1-CD1 4.29Å; I454-L570 HydrophobicContact CG1-CG 3.95Å
455	F	79.6	Confident	82	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-109.7	6.1	-175.8	-64.2	-52.5	0	0	0	112.7	V452 R453 L463 L466 M491 I493 L570	V452-F455 HydrophobicContact CB-CD2 3.92Å; V452-F455 HydrophobicContact CG1-CD2 3.9Å; V452-F455 HydrophobicContact CG1-CE2 4.41Å; V452-F455 HydrophobicContact CG2-CD2 4.49Å; V452-F455 PolarHBondContact O-N 3.31Å; R453-F455 VanDerWaalsContact C-N 3.28Å; R453-F455 PolarHBondContact O-N 3.4Å; F455-L463 HydrophobicContact CB-CD2 3.76Å; F455-L463 HydrophobicContact CG-CD2 4.32Å; F455-L466 HydrophobicContact CD1-CD1 4.08Å; F455-L466 HydrophobicContact CE1-CD1 3.65Å; F455-L466 HydrophobicContact CZ-CD1 4.05Å; F455-M491 HydrophobicContact CE2-CE 4.16Å; F455-M491 HydrophobicContact CZ-CE 4.08Å; F455-M491 HydrophobicContact CZ-SD 4.37Å; F455-I493 HydrophobicContact CE2-CD1 3.97Å; F455-L570 HydrophobicContact CE1-CD1 4.29Å; F455-L570 HydrophobicContact CE1-CD2 4.41Å
456	H	78.3	Confident	82.2	Confident	133 Å²	133	50.3 Å²	50.3	62%	0.616	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-42.5	-178.7	-176.6	-87.2	0	0	0	112	V452 C458	V452-H456 PolarHBondContact O-N 3Å; H456-C458 VanDerWaalsContact C-N 3.34Å
457	D	77.1	Confident	82.3	Confident	129 Å²	129	50.4 Å²	50.4	69%	0.69	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	12.3	-176.3	-52.6	-37.1	0	0	0	112.4
458	C	80.8	Confident	82.3	Confident	17 Å²	17	51.5 Å²	51.5	12%	0.115	25%	0.252	C	S	.	.	S	Bend	trans	-84	148.3	176.9	-72.6	0	0	0	0	111.4	H456 L462 L463	H456-C458 VanDerWaalsContact C-N 3.34Å; C458-L462 HydrophobicContact CB-CD2 4.1Å; C458-L463 HydrophobicContact CB-CD2 4.22Å
459	E	83.8	Confident	82.6	Confident	130 Å²	130	52.1 Å²	52.1	61%	0.607	25%	0.253	S	S	*	.			trans	-60.2	144.6	173.5	-169.5	180	171	0	0	111.5	G461 L462 L463 Y563	E459-G461 PolarHBondContact O-N 2.94Å; E459-L462 PolarHBondContact O-N 2.92Å; E459-L463 PolarHBondContact O-N 3.25Å; E459-Y563 HydrophobicContact CB-CD1 4.38Å; E459-Y563 HydrophobicContact CB-CE1 4.49Å; E459-Y563 WeakPolarHBondContact OE2-CE1 3.41Å
460	A	81.4	Confident	82.7	Confident	33 Å²	33	52.7 Å²	52.7	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-52.8	-38.9	176.1	0	0	0	0	0	114	F98 L462 L463 V464	F98-A460 HydrophobicContact CD1-CB 3.64Å; F98-A460 HydrophobicContact CE1-CB 3.33Å; F98-A460 HydrophobicContact CZ-CB 4.38Å; A460-L462 PolarHBondContact O-N 3.41Å; A460-L463 PolarHBondContact O-N 3.03Å; A460-V464 WeakPolarHBondContact O-CG2 3.5Å; A460-V464 PolarHBondContact O-N 2.94Å; A460-V464 VanDerWaalsContact O-N 3.11Å
461	G	83.8	Confident	82.8	Confident	24 Å²	24	52 Å²	52	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-47.5	179.4	0	0	0	0	0	112.3	E459 L463 V464 E465 Y563	E459-G461 PolarHBondContact O-N 2.94Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.17Å; G461-V464 PolarHBondContact O-N 2.76Å; G461-E465 PolarHBondContact O-N 3.32Å; G461-E465 VanDerWaalsContact O-N 3.13Å; G461-Y563 VanDerWaalsContact C-OH 3.31Å; G461-Y563 WeakPolarHBondContact CA-OH 3.09Å
462	L	86.1	Confident	83.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176	177.4	63.1	0	0	0	111.7	C458 E459 A460 V464 E465 L466 A559 V560 Y563 A566	C458-L462 HydrophobicContact CB-CD2 4.1Å; E459-L462 PolarHBondContact O-N 2.92Å; A460-L462 PolarHBondContact O-N 3.41Å; L462-V464 VanDerWaalsContact C-N 3.28Å; L462-V464 PolarHBondContact O-N 3.12Å; L462-E465 PolarHBondContact O-N 3.17Å; L462-L466 HydrophobicContact CD1-CD1 4.05Å; L462-L466 HydrophobicContact CD1-CD2 4.31Å; L462-L466 HydrophobicContact CD1-CG 3.93Å; L462-L466 HydrophobicContact CD2-CD1 4.44Å; L462-L466 HydrophobicContact CG-CD1 3.88Å; L462-L466 HydrophobicContact CG-CG 4.17Å; L462-L466 WeakPolarHBondContact O-CB 2.93Å; L462-L466 VanDerWaalsContact O-CG 3.26Å; L462-L466 WeakPolarHBondContact O-CG 3.38Å; L462-L466 PolarHBondContact O-N 3.43Å; L462-A559 HydrophobicContact CD1-CB 3.9Å; L462-V560 HydrophobicContact CD1-CG2 4.36Å; L462-Y563 HydrophobicContact CB-CD1 4.12Å; L462-Y563 HydrophobicContact CB-CD2 3.78Å; L462-Y563 HydrophobicContact CB-CE1 4.32Å; L462-Y563 HydrophobicContact CB-CE2 4.02Å; L462-Y563 HydrophobicContact CB-CG 3.85Å; L462-Y563 HydrophobicContact CD1-CD2 3.7Å; L462-Y563 HydrophobicContact CD1-CE2 4.27Å; L462-Y563 HydrophobicContact CD1-CG 4.27Å; L462-Y563 HydrophobicContact CG-CD2 4.26Å; L462-Y563 HydrophobicContact CG-CG 4.46Å; L462-A566 HydrophobicContact CD2-CB 3.32Å
463	L	86.1	Confident	83.4	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-38.4	-179.5	-59.4	-178.4	0	0	0	112.1	L446 L449 K450 F455 C458 E459 A460 G461 V467	L446-L463 HydrophobicContact CD1-CB 3.8Å; L446-L463 HydrophobicContact CD1-CD1 4.04Å; L449-L463 HydrophobicContact CD2-CD2 4.38Å; K450-L463 HydrophobicContact CG-CD1 4.07Å; F455-L463 HydrophobicContact CB-CD2 3.76Å; F455-L463 HydrophobicContact CG-CD2 4.32Å; C458-L463 HydrophobicContact CB-CD2 4.22Å; E459-L463 PolarHBondContact O-N 3.25Å; A460-L463 PolarHBondContact O-N 3.03Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.17Å; L463-V467 WeakPolarHBondContact O-CB 3.28Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.22Å
464	V	82.9	Confident	84.1	Confident	30 Å²	30	43.1 Å²	43.1	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.8	170.4	0	0	0	0	110.8	F98 I442 A460 G461 L462 V467 L468	F98-V464 HydrophobicContact CZ-CG2 4.28Å; I442-V464 HydrophobicContact CD1-CB 4.25Å; I442-V464 HydrophobicContact CD1-CG1 3.55Å; I442-V464 HydrophobicContact CD1-CG2 3.77Å; I442-V464 HydrophobicContact CG1-CB 4.36Å; I442-V464 HydrophobicContact CG1-CG1 3.93Å; I442-V464 HydrophobicContact CG1-CG2 3.99Å; A460-V464 WeakPolarHBondContact O-CG2 3.5Å; A460-V464 PolarHBondContact O-N 2.94Å; A460-V464 VanDerWaalsContact O-N 3.11Å; G461-V464 PolarHBondContact O-N 2.76Å; L462-V464 VanDerWaalsContact C-N 3.28Å; L462-V464 PolarHBondContact O-N 3.12Å; V464-V467 PolarHBondContact O-N 3.47Å; V464-L468 PolarHBondContact O-N 3.04Å
465	E	85.5	Confident	84.9	Confident	36 Å²	36	44.6 Å²	44.6	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-44.8	179	-160.1	-164	150.7	0	0	111.7	G461 L462 V467 L468 K469 A559	G461-E465 PolarHBondContact O-N 3.32Å; G461-E465 VanDerWaalsContact O-N 3.13Å; L462-E465 PolarHBondContact O-N 3.17Å; E465-V467 VanDerWaalsContact C-N 3.35Å; E465-V467 PolarHBondContact O-N 3.19Å; E465-L468 PolarHBondContact O-N 2.86Å; E465-K469 WeakPolarHBondContact OE1-CE 3.22Å; E465-K469 IonicContact OE1-NZ 3.83Å; E465-K469 PolarHBondContact OE1-NZ 3.23Å; E465-A559 HydrophobicContact CG-CB 4.42Å; E465-A559 WeakPolarHBondContact OE1-CA 3.37Å; E465-A559 WeakPolarHBondContact OE1-CB 3.39Å
466	L	87.1	Confident	85.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-42.4	178.1	-68.7	179.4	0	0	0	112	L449 F455 L462 L468 K469 L470 L551 L556 A559	L449-L466 HydrophobicContact CD2-CB 3.99Å; F455-L466 HydrophobicContact CD1-CD1 4.08Å; F455-L466 HydrophobicContact CE1-CD1 3.65Å; F455-L466 HydrophobicContact CZ-CD1 4.05Å; L462-L466 HydrophobicContact CD1-CD1 4.05Å; L462-L466 HydrophobicContact CD1-CD2 4.31Å; L462-L466 HydrophobicContact CD1-CG 3.93Å; L462-L466 HydrophobicContact CD2-CD1 4.44Å; L462-L466 HydrophobicContact CG-CD1 3.88Å; L462-L466 HydrophobicContact CG-CG 4.17Å; L462-L466 WeakPolarHBondContact O-CB 2.93Å; L462-L466 VanDerWaalsContact O-CG 3.26Å; L462-L466 WeakPolarHBondContact O-CG 3.38Å; L462-L466 PolarHBondContact O-N 3.43Å; L466-L468 PolarHBondContact O-N 3.32Å; L466-K469 PolarHBondContact O-N 3.35Å; L466-L470 WeakPolarHBondContact O-CG 3.11Å; L466-L470 PolarHBondContact O-N 3.4Å; L466-L470 VanDerWaalsContact O-N 3.15Å; L466-L551 HydrophobicContact CD2-CD1 4.49Å; L466-L551 HydrophobicContact CD2-CD2 3.84Å; L466-L556 HydrophobicContact CD2-CD1 3.87Å; L466-A559 HydrophobicContact CD2-CB 3.74Å
467	V	86	Confident	86.2	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-38.7	178	159.7	0	0	0	0	112.1	A441 H445 L449 L463 V464 E465 K469	A441-V467 HydrophobicContact CB-CG1 3.62Å; A441-V467 WeakPolarHBondContact O-CG1 3.1Å; H445-V467 HydrophobicContact CB-CG1 3.95Å; H445-V467 HydrophobicContact CB-CG2 4.04Å; L449-V467 HydrophobicContact CD1-CG2 3.38Å; L449-V467 HydrophobicContact CD2-CG2 4.05Å; L449-V467 HydrophobicContact CG-CG2 4.28Å; L463-V467 WeakPolarHBondContact O-CB 3.28Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.22Å; V464-V467 PolarHBondContact O-N 3.47Å; E465-V467 VanDerWaalsContact C-N 3.35Å; E465-V467 PolarHBondContact O-N 3.19Å; V467-K469 VanDerWaalsContact C-N 3.26Å; V467-K469 PolarHBondContact O-N 3.27Å
468	L	82.4	Confident	86.9	Confident	79 Å²	79	37.3 Å²	37.3	41%	0.414	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-24	179.3	-70.4	173.4	0	0	0	113.2	A438 A441 V464 E465 L466	A438-L468 HydrophobicContact CB-CD1 4.27Å; A438-L468 HydrophobicContact CB-CD2 4.05Å; A441-L468 HydrophobicContact CB-CD2 3.98Å; V464-L468 PolarHBondContact O-N 3.04Å; E465-L468 PolarHBondContact O-N 2.86Å; L466-L468 PolarHBondContact O-N 3.32Å
469	K	86.7	Confident	87.4	Confident	30 Å²	30	37.9 Å²	37.9	13%	0.13	22%	0.216	C	C	.	.	H	α-helix	trans	-96.3	-11.1	-178.3	-58.8	-173.1	-168	175.7	0	113.3	E465 L466 V467 L551 D555 E558	E465-K469 WeakPolarHBondContact OE1-CE 3.22Å; E465-K469 IonicContact OE1-NZ 3.83Å; E465-K469 PolarHBondContact OE1-NZ 3.23Å; L466-K469 PolarHBondContact O-N 3.35Å; V467-K469 VanDerWaalsContact C-N 3.26Å; V467-K469 PolarHBondContact O-N 3.27Å; K469-L551 HydrophobicContact CB-CD1 3.94Å; K469-D555 HydrophobicContact CB-CB 4.03Å; K469-D555 HydrophobicContact CD-CB 3.62Å; K469-D555 HydrophobicContact CG-CB 4.37Å; K469-D555 PolarHBondContact NZ-O 3.07Å; K469-E558 IonicContact NZ-OE2 3.17Å; K469-E558 PolarHBondContact NZ-OE2 2.97Å
470	L	86.6	Confident	87.9	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.068	20%	0.202	C	C	.	.			trans	-62.4	139.8	178	-69	-174.7	0	0	0	112.4	L449 L466 I493 F549 L551	L449-L470 HydrophobicContact CD1-CD1 3.5Å; L449-L470 HydrophobicContact CG-CD1 4.28Å; L466-L470 WeakPolarHBondContact O-CG 3.11Å; L466-L470 PolarHBondContact O-N 3.4Å; L466-L470 VanDerWaalsContact O-N 3.15Å; L470-I493 HydrophobicContact CD2-CD1 4.15Å; L470-F549 HydrophobicContact CB-CB 4.3Å; L470-F549 HydrophobicContact CB-CD1 4.09Å; L470-F549 HydrophobicContact CB-CG 4.4Å; L470-F549 HydrophobicContact CD1-CB 4Å; L470-F549 HydrophobicContact CD1-CD1 4.31Å; L470-F549 HydrophobicContact CD1-CD2 4.28Å; L470-F549 HydrophobicContact CD1-CG 3.96Å; L470-F549 HydrophobicContact CD2-CB 4.06Å; L470-F549 HydrophobicContact CG-CB 4.34Å; L470-L551 HydrophobicContact CD2-CB 3.97Å; L470-L551 HydrophobicContact CD2-CD1 4.31Å
471	R	87.1	Confident	88.5	Confident	75 Å²	75	34.9 Å²	34.9	28%	0.283	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.9	175.3	-69.2	-177.7	-65.9	171.9	9.5	110.5	E490 C550	R471-E490 IonicContact CZ-OE1 2.75Å; R471-E490 IonicContact NH2-OE1 2.98Å; R471-E490 PolarHBondContact NH2-OE1 3.18Å; R471-C550 HydrophobicContact CB-CB 4.43Å; R471-C550 PolarHBondContact N-O 2.91Å; R471-C550 PolarHBondContact O-N 2.92Å
472	P	87.1	Confident	88.8	Confident	69 Å²	69	34 Å²	34	45%	0.448	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.9	174.6	27.2	-32.6	0	0	0	111	L548 F549	P472-L548 CarbonylContact C-O 3.57Å; P472-F549 HydrophobicContact CB-CD1 4.33Å; P472-F549 HydrophobicContact CB-CE1 4.17Å
473	Q	89.8	Confident	89.1	Confident	58 Å²	58	40.9 Å²	40.9	27%	0.271	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.8	174.4	-69.3	-172	15.3	0	0	110.3	F475 L548 C550	Q473-F475 HydrophobicContact CB-CE2 3.96Å; Q473-L548 PolarHBondContact N-O 2.92Å; Q473-L548 PolarHBondContact O-N 3.36Å; Q473-C550 HydrophobicContact CG-CB 4.11Å
474	V	91.8	Very high	89.3	Confident	34 Å²	34	45.3 Å²	45.3	21%	0.206	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.1	-178.3	-178.6	0	0	0	0	110	W412 Y415 L416 K421 S546	W412-V474 PolarHBondContact NE1-O 3.16Å; Y415-V474 HydrophobicContact CD1-CG1 4.07Å; Y415-V474 HydrophobicContact CE1-CG1 3.69Å; L416-V474 HydrophobicContact CD2-CB 4.12Å; L416-V474 HydrophobicContact CD2-CG1 4.19Å; L416-V474 HydrophobicContact CD2-CG2 3.95Å; K421-V474 HydrophobicContact CD-CG2 4.29Å; V474-S546 WeakPolarHBondContact CA-O 3.5Å
475	F	92.8	Very high	89.5	Confident	34 Å²	34	45.1 Å²	45.1	15%	0.149	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.8	177.9	-69	-89.3	0	0	0	111.4	Q473 D479 I481 Y492 Y545 S546 L548	Q473-F475 HydrophobicContact CB-CE2 3.96Å; F475-D479 HydrophobicContact CD1-CB 4.48Å; F475-I481 HydrophobicContact CB-CG1 4.36Å; F475-I481 HydrophobicContact CD1-CB 4.5Å; F475-I481 HydrophobicContact CD1-CG1 3.69Å; F475-I481 HydrophobicContact CD2-CG1 4.01Å; F475-I481 HydrophobicContact CE1-CB 4.25Å; F475-I481 HydrophobicContact CE1-CG1 3.9Å; F475-I481 HydrophobicContact CE1-CG2 4.05Å; F475-I481 HydrophobicContact CE2-CG1 4.22Å; F475-I481 HydrophobicContact CE2-CG2 4.13Å; F475-I481 HydrophobicContact CG-CG1 3.73Å; F475-I481 HydrophobicContact CZ-CB 4.42Å; F475-I481 HydrophobicContact CZ-CG1 4.17Å; F475-I481 HydrophobicContact CZ-CG2 3.75Å; F475-Y492 HydrophobicContact CZ-CE1 4.5Å; F475-Y545 WeakPolarHBondContact O-CA 3.29Å; F475-S546 PolarHBondContact N-O 3.48Å; F475-S546 PolarHBondContact O-N 2.9Å; F475-L548 HydrophobicContact CD2-CD1 3.56Å; F475-L548 HydrophobicContact CD2-CG 3.96Å; F475-L548 HydrophobicContact CE2-CB 4.4Å; F475-L548 HydrophobicContact CE2-CD1 3.62Å; F475-L548 HydrophobicContact CE2-CG 4.22Å
476	S	92.8	Very high	89.7	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.063	25%	0.245	C	C	.	.			trans	-87.8	161.4	179.7	-36.8	0	0	0	0	111.6	G478 D479 S542 G544	S476-G478 PolarHBondContact O-N 2.89Å; S476-D479 WeakPolarHBondContact CA-OD2 3.34Å; S476-D479 WeakPolarHBondContact CB-OD2 3.23Å; S476-D479 PolarHBondContact N-OD2 3.43Å; S476-D479 WeakPolarHBondContact O-CB 3.42Å; S476-D479 PolarHBondContact O-N 3.28Å; S476-D479 VanDerWaalsContact O-N 3.11Å; S476-D479 PolarHBondContact OG-OD2 3.44Å; S476-S542 WeakPolarHBondContact O-CB 3.35Å; S476-G544 CarbonylContact C-O 3.55Å
477	P	93.8	Very high	89.7	Confident	61 Å²	61	51.9 Å²	51.9	40%	0.396	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	131.8	172.8	-20.1	28.8	0	0	0	111.9	D479 G544 Y545	P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 2.92Å; P477-G544 WeakPolarHBondContact CA-O 3.34Å; P477-Y545 HydrophobicContact CG-CD2 3.81Å; P477-Y545 HydrophobicContact CG-CE2 3.82Å; P477-Y545 HydrophobicContact CG-CG 4.31Å
478	G	90.5	Very high	89.7	Confident	39 Å²	39	51.6 Å²	51.6	40%	0.402	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-6	-179.1	0	0	0	0	0	115.1	S476 S542	S476-G478 PolarHBondContact O-N 2.89Å; G478-S542 WeakPolarHBondContact CA-O 3.41Å; G478-S542 PolarHBondContact N-O 3.28Å
479	D	92.1	Very high	90	Very high	30 Å²	30	54.8 Å²	54.8	16%	0.16	28%	0.278	C	S	.	.			trans	-69.5	135.1	177	-72.2	-19.5	0	0	0	111.1	K408 F475 S476 P477 R541 S542	K408-D479 VanDerWaalsContact CE-OD1 3.29Å; K408-D479 WeakPolarHBondContact CE-OD1 3.48Å; K408-D479 IonicContact NZ-OD1 2.67Å; K408-D479 PolarHBondContact NZ-OD1 3.32Å; F475-D479 HydrophobicContact CD1-CB 4.48Å; S476-D479 WeakPolarHBondContact CA-OD2 3.34Å; S476-D479 WeakPolarHBondContact CB-OD2 3.23Å; S476-D479 PolarHBondContact N-OD2 3.43Å; S476-D479 WeakPolarHBondContact O-CB 3.42Å; S476-D479 PolarHBondContact O-N 3.28Å; S476-D479 VanDerWaalsContact O-N 3.11Å; S476-D479 PolarHBondContact OG-OD2 3.44Å; P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 2.92Å; D479-R541 CarbonylContact O-C 3.33Å; D479-R541 WeakPolarHBondContact O-CA 3.5Å; D479-S542 PolarHBondContact O-N 2.96Å
480	Y	93.1	Very high	90.2	Very high	80 Å²	80	55.3 Å²	55.3	31%	0.314	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118	169.1	-75	-93.3	0	0	0	108.7	R483 V502 N539 I540 R541	Y480-R483 HydrophobicContact CD1-CG 4.43Å; Y480-V502 HydrophobicContact CE1-CG2 3.72Å; Y480-N539 HydrophobicContact CD1-CB 4.31Å; Y480-N539 HydrophobicContact CE1-CB 4.15Å; Y480-I540 CarbonylContact C-O 3.5Å; Y480-I540 WeakPolarHBondContact CA-O 3.42Å; Y480-R541 HydrophobicContact CD1-CB 4.18Å; Y480-R541 HydrophobicContact CE1-CB 4.16Å
481	I	93.8	Very high	90.4	Very high	19 Å²	19	54.7 Å²	54.7	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-40.6	176.6	-59.2	91.5	0	0	0	109.8	F475 Y492 L499 F519 I540 L548	F475-I481 HydrophobicContact CB-CG1 4.36Å; F475-I481 HydrophobicContact CD1-CB 4.5Å; F475-I481 HydrophobicContact CD1-CG1 3.69Å; F475-I481 HydrophobicContact CD2-CG1 4.01Å; F475-I481 HydrophobicContact CE1-CB 4.25Å; F475-I481 HydrophobicContact CE1-CG1 3.9Å; F475-I481 HydrophobicContact CE1-CG2 4.05Å; F475-I481 HydrophobicContact CE2-CG1 4.22Å; F475-I481 HydrophobicContact CE2-CG2 4.13Å; F475-I481 HydrophobicContact CG-CG1 3.73Å; F475-I481 HydrophobicContact CZ-CB 4.42Å; F475-I481 HydrophobicContact CZ-CG1 4.17Å; F475-I481 HydrophobicContact CZ-CG2 3.75Å; I481-Y492 HydrophobicContact CG2-CD2 3.96Å; I481-Y492 HydrophobicContact CG2-CE1 4.45Å; I481-Y492 HydrophobicContact CG2-CE2 3.78Å; I481-Y492 HydrophobicContact CG2-CG 4.36Å; I481-L499 HydrophobicContact CD1-CD1 4.42Å; I481-L499 HydrophobicContact CD1-CD2 3.74Å; I481-F519 HydrophobicContact CB-CE2 4.42Å; I481-F519 HydrophobicContact CB-CZ 4.31Å; I481-F519 HydrophobicContact CG2-CE2 3.93Å; I481-F519 HydrophobicContact CG2-CZ 3.86Å; I481-I540 HydrophobicContact CD1-CG2 4.2Å; I481-I540 PolarHBondContact N-O 3.16Å; I481-L548 HydrophobicContact CG1-CD1 4.09Å; I481-L548 HydrophobicContact CG2-CD1 4.22Å
482	C	91.6	Very high	90.7	Very high	7 Å²	7	52 Å²	52	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149.5	170.3	63	0	0	0	0	110.6	R536 N539 I540	C482-R536 HydrophobicContact CB-CG 3.98Å; C482-N539 WeakPolarHBondContact O-CA 3.4Å; C482-I540 PolarHBondContact O-N 3.49Å
483	R	91.6	Very high	90.9	Very high	143 Å²	143	48.7 Å²	48.7	54%	0.54	25%	0.246	S	C	.	.			trans	-109.5	148.8	171.1	-56.6	-179.7	177.3	-163.2	-1.4	110	Y480 G485 D486 R536 N539	Y480-R483 HydrophobicContact CD1-CG 4.43Å; R483-G485 PolarHBondContact O-N 2.93Å; R483-D486 WeakPolarHBondContact CB-OD2 3.35Å; R483-D486 PolarHBondContact N-OD2 3.21Å; R483-D486 VanDerWaalsContact N-OD2 3.11Å; R483-D486 WeakPolarHBondContact O-CB 3.4Å; R483-D486 PolarHBondContact O-N 3.11Å; R483-D486 VanDerWaalsContact O-N 3.11Å; R483-R536 VanDerWaalsContact O-CB 3.24Å; R483-R536 WeakPolarHBondContact O-CB 3.44Å; R483-N539 VanDerWaalsContact CA-OD1 3.3Å; R483-N539 WeakPolarHBondContact CA-OD1 3.3Å
484	K	89.4	Confident	91	Very high	100 Å²	100	46 Å²	46	44%	0.435	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	129.9	174.4	179.9	177.8	171.8	-169.7	0	109.2	D504 R536 T537 N539	K484-D504 WeakPolarHBondContact CD-OD1 3.42Å; K484-D504 IonicContact NZ-OD1 2.87Å; K484-D504 IonicContact NZ-OD2 2.75Å; K484-D504 PolarHBondContact NZ-OD2 3.21Å; K484-R536 WeakPolarHBondContact CA-O 3.38Å; K484-T537 WeakPolarHBondContact CG-O 2.99Å; K484-N539 PolarHBondContact N-OD1 3.42Å
485	G	87.4	Confident	90.8	Very high	25 Å²	25	48.2 Å²	48.2	26%	0.258	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-14	-177.5	0	0	0	0	0	115.5	R483 R535 R536	R483-G485 PolarHBondContact O-N 2.93Å; G485-R535 WeakPolarHBondContact O-CD 3.2Å; G485-R535 PolarHBondContact O-NH1 2.63Å; G485-R536 PolarHBondContact N-O 3.35Å
486	D	89.5	Confident	90.7	Very high	79 Å²	79	52 Å²	52	42%	0.422	26%	0.259	S	S	.	.	S	Bend	trans	-64.1	154.9	173.7	-72	-19.4	0	0	0	111.2	R483 G488 R535 R536	R483-D486 WeakPolarHBondContact CB-OD2 3.35Å; R483-D486 PolarHBondContact N-OD2 3.21Å; R483-D486 VanDerWaalsContact N-OD2 3.11Å; R483-D486 WeakPolarHBondContact O-CB 3.4Å; R483-D486 PolarHBondContact O-N 3.11Å; R483-D486 VanDerWaalsContact O-N 3.11Å; D486-G488 PolarHBondContact O-N 3.48Å; D486-R535 CarbonylContact O-C 3.54Å; D486-R535 WeakPolarHBondContact O-CA 3.2Å; D486-R536 HydrophobicContact CB-CG 4.11Å; D486-R536 WeakPolarHBondContact O-CG 3.46Å; D486-R536 PolarHBondContact O-N 2.99Å
487	I	88.5	Confident	90.7	Very high	100 Å²	100	52.6 Å²	52.6	51%	0.513	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-75.4	122.7	176.9	-59.3	172.1	0	0	0	109.3	K489 N534	I487-K489 HydrophobicContact CG2-CG 4.23Å; I487-K489 PolarHBondContact O-N 3.11Å; I487-N534 WeakPolarHBondContact CA-O 3.4Å
488	G	86.1	Confident	90.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.276	C	S	.	.			trans	-86.6	93.6	-177.1	0	0	0	0	0	113.4	D486 N534	D486-G488 PolarHBondContact O-N 3.48Å; G488-N534 PolarHBondContact N-O 2.86Å; G488-N534 PolarHBondContact O-OD1 3.4Å
489	K	88.8	Confident	91	Very high	145 Å²	145	55.5 Å²	55.5	63%	0.63	26%	0.257	S	S	*	.			trans	-90.5	-12.9	-180	-61.3	-176.1	-178.8	-178.2	0	114.7	I487 K553	I487-K489 HydrophobicContact CG2-CG 4.23Å; I487-K489 PolarHBondContact O-N 3.11Å; K489-K553 WeakPolarHBondContact O-CB 3.3Å; K489-K553 PolarHBondContact O-N 3.5Å
490	E	90.9	Very high	91.1	Very high	42 Å²	42	54 Å²	54	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.8	-167.1	-55.7	-177.1	148.1	0	0	109.7	R471 Y492 R536 C550 L551	R471-E490 IonicContact CZ-OE1 2.75Å; R471-E490 IonicContact NH2-OE1 2.98Å; R471-E490 PolarHBondContact NH2-OE1 3.18Å; E490-Y492 HydrophobicContact CB-CE2 4.45Å; E490-Y492 PolarHBondContact OE2-OH 3.48Å; E490-R536 PolarHBondContact O-NH1 2.99Å; E490-R536 PolarHBondContact O-NH2 3.48Å; E490-C550 PolarHBondContact OE1-SG 3.3Å; E490-C550 PolarHBondContact OE2-SG 3.46Å; E490-L551 CarbonylContact C-O 3.58Å; E490-L551 VanDerWaalsContact CA-O 3.27Å; E490-L551 WeakPolarHBondContact CA-O 3.37Å
491	M	90.3	Very high	91.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158.3	161.3	62.2	176.9	-58.9	0	0	110.2	F455 C518 E521 I524 C550 L551 L556	F455-M491 HydrophobicContact CE2-CE 4.16Å; F455-M491 HydrophobicContact CZ-CE 4.08Å; F455-M491 HydrophobicContact CZ-SD 4.37Å; M491-C518 HydrophobicContact CE-CB 4.16Å; M491-E521 HydrophobicContact CE-CB 4.29Å; M491-I524 HydrophobicContact CB-CD1 3.62Å; M491-I524 HydrophobicContact CG-CD1 3.62Å; M491-I524 HydrophobicContact SD-CD1 3.66Å; M491-C550 WeakPolarHBondContact O-CA 3.34Å; M491-L551 HydrophobicContact CG-CB 3.81Å; M491-L551 HydrophobicContact CG-CD2 4.26Å; M491-L551 HydrophobicContact CG-CG 4.44Å; M491-L551 PolarHBondContact N-O 2.84Å; M491-L551 PolarHBondContact O-N 3.2Å; M491-L551 HydrophobicContact SD-CD2 3.95Å; M491-L556 HydrophobicContact SD-CD2 3.97Å
492	Y	92.4	Very high	91	Very high	17 Å²	17	50.5 Å²	50.5	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138	-178.8	-58.4	-81.1	0	0	0	111.2	F475 I481 E490 C518 F519 L548 F549 C550	F475-Y492 HydrophobicContact CZ-CE1 4.5Å; I481-Y492 HydrophobicContact CG2-CD2 3.96Å; I481-Y492 HydrophobicContact CG2-CE1 4.45Å; I481-Y492 HydrophobicContact CG2-CE2 3.78Å; I481-Y492 HydrophobicContact CG2-CG 4.36Å; E490-Y492 HydrophobicContact CB-CE2 4.45Å; E490-Y492 PolarHBondContact OE2-OH 3.48Å; Y492-C518 CarbonylContact O-C 3.59Å; Y492-C518 VanDerWaalsContact O-CA 3.27Å; Y492-C518 WeakPolarHBondContact O-CA 3.42Å; Y492-F519 HydrophobicContact CD2-CD2 4.08Å; Y492-F519 AromaticContact CD2-CE2 3.38Å; Y492-F519 HydrophobicContact CD2-CE2 3.38Å; Y492-F519 AromaticContact CD2-CZ 3.73Å; Y492-F519 HydrophobicContact CD2-CZ 3.73Å; Y492-F519 HydrophobicContact CE2-CE2 4.29Å; Y492-F519 HydrophobicContact CG-CE1 4.41Å; Y492-F519 AromaticContact CG-CE2 3.92Å; Y492-F519 HydrophobicContact CG-CE2 3.92Å; Y492-F519 AromaticContact CG-CZ 3.78Å; Y492-F519 HydrophobicContact CG-CZ 3.78Å; Y492-F519 PolarHBondContact N-O 2.92Å; Y492-F519 PolarHBondContact O-N 2.95Å; Y492-L548 HydrophobicContact CD1-CB 4.32Å; Y492-L548 HydrophobicContact CD1-CD1 4.31Å; Y492-L548 HydrophobicContact CG-CD1 4.36Å; Y492-F549 CarbonylContact C-O 3.58Å; Y492-F549 VanDerWaalsContact CA-O 3.26Å; Y492-F549 WeakPolarHBondContact CA-O 3.24Å; Y492-C550 HydrophobicContact CD1-CB 3.92Å; Y492-C550 HydrophobicContact CE1-CB 3.76Å
493	I	91.8	Very high	90.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.8	173.3	-57.7	169.5	0	0	0	107.7	T448 V452 F455 L470 K495 C518 L548 F549	T448-I493 HydrophobicContact CG2-CG2 4.4Å; V452-I493 HydrophobicContact CG2-CG2 3.52Å; F455-I493 HydrophobicContact CE2-CD1 3.97Å; L470-I493 HydrophobicContact CD2-CD1 4.15Å; I493-K495 PolarHBondContact O-N 3.42Å; I493-C518 HydrophobicContact CG1-CB 4.26Å; I493-L548 CarbonylContact O-C 3.34Å; I493-L548 WeakPolarHBondContact O-CA 3.47Å; I493-F549 HydrophobicContact CB-CB 4.28Å; I493-F549 PolarHBondContact N-O 3.26Å; I493-F549 PolarHBondContact O-N 3.03Å
494	I	92.4	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.9	-178.1	-51.3	175.7	0	0	0	109	L499 L513 A515 G516 S517 F519 L548	I494-L499 HydrophobicContact CD1-CB 4.47Å; I494-L499 HydrophobicContact CD1-CD1 3.63Å; I494-L499 HydrophobicContact CD1-CG 4Å; I494-L499 HydrophobicContact CG1-CD1 3.88Å; I494-L513 HydrophobicContact CD1-CB 3.45Å; I494-L513 VanDerWaalsContact CD1-CB 3.45Å; I494-A515 WeakPolarHBondContact O-CA 3.49Å; I494-G516 PolarHBondContact O-N 3.17Å; I494-S517 WeakPolarHBondContact CG1-O 3.1Å; I494-S517 PolarHBondContact N-O 2.99Å; I494-F519 HydrophobicContact CD1-CD1 4.33Å; I494-F519 HydrophobicContact CD1-CE1 4.37Å; I494-F519 HydrophobicContact CG1-CD1 4.22Å; I494-F519 HydrophobicContact CG1-CE1 4.04Å; I494-L548 HydrophobicContact CB-CD2 4.07Å; I494-L548 HydrophobicContact CG1-CD2 3.82Å; I494-L548 HydrophobicContact CG2-CD2 4.02Å
495	K	88.3	Confident	90.3	Very high	81 Å²	81	48.7 Å²	48.7	35%	0.352	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-51.1	173	-174.6	-167.8	-173.6	-179.6	0	110.2	T448 I493 A515 D547 F549	T448-K495 HydrophobicContact CG2-CG 4.5Å; I493-K495 PolarHBondContact O-N 3.42Å; K495-A515 WeakPolarHBondContact O-CB 3.44Å; K495-D547 HydrophobicContact CB-CB 4.3Å; K495-D547 WeakPolarHBondContact CB-O 3.33Å; K495-D547 HydrophobicContact CD-CB 4.47Å; K495-D547 PolarHBondContact N-O 3.21Å; K495-F549 HydrophobicContact CB-CD2 4.04Å; K495-F549 HydrophobicContact CB-CE2 3.77Å; K495-F549 HydrophobicContact CD-CE2 3.62Å; K495-F549 HydrophobicContact CD-CZ 3.67Å; K495-F549 HydrophobicContact CG-CE2 3.74Å; K495-F549 HydrophobicContact CG-CZ 4.32Å
496	E	90.3	Very high	89.9	Confident	114 Å²	114	48 Å²	48	53%	0.533	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.2	-178.8	-166.4	179.8	176.9	0	0	110.1	S546 D547	E496-S546 CarbonylContact O-C 3.52Å; E496-S546 WeakPolarHBondContact O-CA 3.15Å; E496-D547 HydrophobicContact CB-CB 4.14Å; E496-D547 PolarHBondContact N-O 2.93Å; E496-D547 VanDerWaalsContact N-O 3.17Å; E496-D547 PolarHBondContact O-N 3.43Å
497	G	92.1	Very high	89.6	Confident	21 Å²	21	49.6 Å²	49.6	22%	0.216	25%	0.248	C	C	.	.	S	Bend	trans	108.5	-176.4	179.4	0	0	0	0	0	113.6
498	R	94.5	Very high	89.5	Confident	161 Å²	161	47.9 Å²	47.9	61%	0.608	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.3	-177.8	-65.1	-176.4	-173.4	-179.9	2.5	109.3	L512 L543	R498-L512 HydrophobicContact CB-CD1 4.29Å; R498-L543 HydrophobicContact CB-CD1 4.34Å; R498-L543 WeakPolarHBondContact O-CB 3.32Å; R498-L543 PolarHBondContact O-N 3.34Å
499	L	95.6	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.9	178.2	-51	-179.9	0	0	0	109.4	I481 I494 L513 F519 I540 R541 S546 L548	I481-L499 HydrophobicContact CD1-CD1 4.42Å; I481-L499 HydrophobicContact CD1-CD2 3.74Å; I494-L499 HydrophobicContact CD1-CB 4.47Å; I494-L499 HydrophobicContact CD1-CD1 3.63Å; I494-L499 HydrophobicContact CD1-CG 4Å; I494-L499 HydrophobicContact CG1-CD1 3.88Å; L499-L513 HydrophobicContact CB-CB 4.29Å; L499-L513 PolarHBondContact N-O 3.5Å; L499-L513 PolarHBondContact O-N 3.21Å; L499-F519 HydrophobicContact CD1-CD1 4.04Å; L499-F519 HydrophobicContact CD1-CE1 3.19Å; L499-F519 HydrophobicContact CD1-CZ 3.63Å; L499-I540 HydrophobicContact CB-CG2 3.99Å; L499-I540 HydrophobicContact CD1-CG2 4.03Å; L499-R541 CarbonylContact C-O 3.45Å; L499-R541 WeakPolarHBondContact CA-O 3.45Å; L499-S546 WeakPolarHBondContact CD2-OG 3.34Å; L499-L548 HydrophobicContact CD1-CD1 4.18Å; L499-L548 HydrophobicContact CD1-CD2 4Å
500	A	94.1	Very high	89.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.6	173.5	0	0	0	0	0	109.9	V502 Q509 A511 R541 L543	A500-V502 HydrophobicContact CB-CG1 4.41Å; A500-V502 PolarHBondContact O-N 3.29Å; A500-Q509 HydrophobicContact CB-CG 4.23Å; A500-A511 WeakPolarHBondContact CA-O 3.32Å; A500-R541 PolarHBondContact N-O 2.99Å; A500-R541 PolarHBondContact O-N 3.35Å; A500-L543 HydrophobicContact CB-CD1 4.23Å; A500-L543 HydrophobicContact CB-CD2 3.86Å; A500-L543 HydrophobicContact CB-CG 4.01Å
501	V	93.1	Very high	89.4	Confident	22 Å²	22	54.2 Å²	54.2	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	113	165.3	-174.1	0	0	0	0	106.8	Q509 Y510 A511 L513 A538 N539	V501-Q509 CarbonylContact O-C 3.51Å; V501-Q509 WeakPolarHBondContact O-CA 3.46Å; V501-Y510 PolarHBondContact O-N 3.47Å; V501-A511 HydrophobicContact CB-CB 4.22Å; V501-A511 HydrophobicContact CG2-CB 4.06Å; V501-A511 PolarHBondContact N-O 3.12Å; V501-L513 HydrophobicContact CG2-CD1 4.05Å; V501-L513 HydrophobicContact CG2-CG 4.15Å; V501-A538 HydrophobicContact CG1-CB 3.79Å; V501-N539 WeakPolarHBondContact CA-O 3.45Å
502	V	92.4	Very high	89.6	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	145.4	-173.6	-86.7	0	0	0	0	111.3	Y480 A500 T508 Q509 N539 R541	Y480-V502 HydrophobicContact CE1-CG2 3.72Å; A500-V502 HydrophobicContact CB-CG1 4.41Å; A500-V502 PolarHBondContact O-N 3.29Å; V502-T508 CarbonylContact C-O 3.45Å; V502-T508 WeakPolarHBondContact CA-O 3.48Å; V502-Q509 HydrophobicContact CG1-CG 4.1Å; V502-N539 HydrophobicContact CG2-CB 3.92Å; V502-N539 PolarHBondContact N-O 2.91Å; V502-N539 WeakPolarHBondContact O-CB 3.32Å; V502-N539 PolarHBondContact O-ND2 3.18Å; V502-R541 HydrophobicContact CG2-CB 3.85Å
503	A	88.5	Confident	89.5	Confident	9 Å²	9	59.4 Å²	59.4	7%	0.074	31%	0.305	C	S	.	.			trans	-69.1	173.8	171.9	0	0	0	0	0	111.5	D505 G506 T508 Y510	A503-D505 WeakPolarHBondContact CB-OD1 3.35Å; A503-D505 PolarHBondContact O-N 3.4Å; A503-D505 VanDerWaalsContact O-N 3.14Å; A503-G506 PolarHBondContact O-N 2.93Å; A503-T508 HydrophobicContact CB-CG2 4.45Å; A503-T508 PolarHBondContact N-O 3.35Å; A503-Y510 VanDerWaalsContact CA-CE2 3.48Å; A503-Y510 HydrophobicContact CB-CD2 4.24Å; A503-Y510 HydrophobicContact CB-CE2 3.36Å; A503-Y510 WeakPolarHBondContact CB-OH 3.22Å
504	D	85.6	Confident	89.5	Confident	113 Å²	113	62.3 Å²	62.3	60%	0.604	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.5	-178.8	-64.1	-29.8	0	0	0	112.2	K484 G506 N539	K484-D504 WeakPolarHBondContact CD-OD1 3.42Å; K484-D504 IonicContact NZ-OD1 2.87Å; K484-D504 IonicContact NZ-OD2 2.75Å; K484-D504 PolarHBondContact NZ-OD2 3.21Å; D504-G506 VanDerWaalsContact C-N 3.33Å; D504-N539 PolarHBondContact OD1-ND2 3.26Å
505	D	84.4	Confident	89.4	Confident	91 Å²	91	65 Å²	65	49%	0.487	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.3	172.5	69.4	2.5	0	0	0	114.1	A503 V507 T508	A503-D505 WeakPolarHBondContact CB-OD1 3.35Å; A503-D505 PolarHBondContact O-N 3.4Å; A503-D505 VanDerWaalsContact O-N 3.14Å; D505-V507 PolarHBondContact O-N 2.93Å; D505-V507 PolarHBondContact OD1-N 3.14Å; D505-T508 PolarHBondContact OD1-N 3.38Å; D505-T508 WeakPolarHBondContact OD2-CB 3.35Å; D505-T508 PolarHBondContact OD2-N 3.17Å; D505-T508 PolarHBondContact OD2-OG1 2.91Å
506	G	78.8	Confident	89.2	Confident	11 Å²	11	61.9 Å²	61.9	11%	0.113	34%	0.338	C	S	.	.	S	Bend	trans	69	2.6	-175.8	0	0	0	0	0	115.6	A503 D504 R541	A503-G506 PolarHBondContact O-N 2.93Å; D504-G506 VanDerWaalsContact C-N 3.33Å; G506-R541 PolarHBondContact O-NH1 3Å; G506-R541 PolarHBondContact O-NH2 3.12Å; G506-R541 VanDerWaalsContact O-NH2 3.16Å
507	V	82.8	Confident	89.1	Confident	111 Å²	111	58.2 Å²	58.2	67%	0.673	33%	0.325	S	S	*	.	S	Bend	trans	-112.3	-46.8	-176.2	-178.7	0	0	0	0	110.7	D505 Q509	D505-V507 PolarHBondContact O-N 2.93Å; D505-V507 PolarHBondContact OD1-N 3.14Å; V507-Q509 PolarHBondContact O-N 3.4Å
508	T	87.1	Confident	88.9	Confident	65 Å²	65	58.3 Å²	58.3	40%	0.399	32%	0.322	S	S	.	.			trans	-72.3	125	-177.3	-57.2	0	0	0	0	109.9	V502 A503 D505 Y510	V502-T508 CarbonylContact C-O 3.45Å; V502-T508 WeakPolarHBondContact CA-O 3.48Å; A503-T508 HydrophobicContact CB-CG2 4.45Å; A503-T508 PolarHBondContact N-O 3.35Å; D505-T508 PolarHBondContact OD1-N 3.38Å; D505-T508 WeakPolarHBondContact OD2-CB 3.35Å; D505-T508 PolarHBondContact OD2-N 3.17Å; D505-T508 PolarHBondContact OD2-OG1 2.91Å; T508-Y510 HydrophobicContact CG2-CE1 4.48Å
509	Q	89.1	Confident	88.7	Confident	105 Å²	105	51 Å²	51	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.9	179.8	-61.7	-179.8	24.7	0	0	109.8	A500 V501 V502 V507	A500-Q509 HydrophobicContact CB-CG 4.23Å; V501-Q509 CarbonylContact O-C 3.51Å; V501-Q509 WeakPolarHBondContact O-CA 3.46Å; V502-Q509 HydrophobicContact CG1-CG 4.1Å; V507-Q509 PolarHBondContact O-N 3.4Å
510	Y	85.9	Confident	88.3	Confident	169 Å²	169	51.7 Å²	51.7	66%	0.663	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	-38.1	178.2	-68.2	-58.8	0	0	0	112.7	V501 A503 T508	V501-Y510 PolarHBondContact O-N 3.47Å; A503-Y510 VanDerWaalsContact CA-CE2 3.48Å; A503-Y510 HydrophobicContact CB-CD2 4.24Å; A503-Y510 HydrophobicContact CB-CE2 3.36Å; A503-Y510 WeakPolarHBondContact CB-OH 3.22Å; T508-Y510 HydrophobicContact CG2-CE1 4.48Å
511	A	88.9	Confident	87.6	Confident	46 Å²	46	52.5 Å²	52.5	38%	0.38	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	152.6	-177.7	0	0	0	0	0	111.7	A500 V501	A500-A511 WeakPolarHBondContact CA-O 3.32Å; V501-A511 HydrophobicContact CB-CB 4.22Å; V501-A511 HydrophobicContact CG2-CB 4.06Å; V501-A511 PolarHBondContact N-O 3.12Å
512	L	92.7	Very high	87	Confident	94 Å²	94	52 Å²	52	49%	0.492	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.1	172.1	-174.1	76	0	0	0	108.9	R498 L543	R498-L512 HydrophobicContact CB-CD1 4.29Å; L512-L543 HydrophobicContact CD1-CD1 3.44Å; L512-L543 VanDerWaalsContact CD1-CD1 3.44Å
513	L	92.2	Very high	86.2	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.168	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.1	174.2	-53.5	174.9	0	0	0	109.3	I494 L499 V501 F519	I494-L513 HydrophobicContact CD1-CB 3.45Å; I494-L513 VanDerWaalsContact CD1-CB 3.45Å; L499-L513 HydrophobicContact CB-CB 4.29Å; L499-L513 PolarHBondContact N-O 3.5Å; L499-L513 PolarHBondContact O-N 3.21Å; V501-L513 HydrophobicContact CG2-CD1 4.05Å; V501-L513 HydrophobicContact CG2-CG 4.15Å; L513-F519 HydrophobicContact CD1-CB 4.1Å; L513-F519 HydrophobicContact CD1-CD1 4.14Å; L513-F519 HydrophobicContact CD1-CG 4.32Å
514	S	91.7	Very high	85.7	Confident	62 Å²	62	51.7 Å²	51.7	43%	0.434	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	172.1	179	59	0	0	0	0	111.4	G516 S517	S514-G516 PolarHBondContact O-N 3.44Å; S514-S517 VanDerWaalsContact O-CB 3.25Å; S514-S517 WeakPolarHBondContact O-CB 3.2Å; S514-S517 PolarHBondContact O-N 3.38Å; S514-S517 PolarHBondContact O-OG 2.67Å
515	A	89.3	Confident	85.2	Confident	57 Å²	57	46.6 Å²	46.6	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	136.5	177.9	0	0	0	0	0	112.9	I494 K495 S517	I494-A515 WeakPolarHBondContact O-CA 3.49Å; K495-A515 WeakPolarHBondContact O-CB 3.44Å; A515-S517 VanDerWaalsContact C-N 3.33Å
516	G	84.6	Confident	84.6	Confident	14 Å²	14	47.7 Å²	47.7	14%	0.144	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-6.8	-173.8	0	0	0	0	0	114.5	V452 I494 S514	V452-G516 WeakPolarHBondContact CA-O 3.43Å; I494-G516 PolarHBondContact O-N 3.17Å; S514-G516 PolarHBondContact O-N 3.44Å
517	S	88.1	Confident	84.4	Confident	38 Å²	38	48 Å²	48	27%	0.266	28%	0.277	S	S	.	.			trans	-85.9	152.6	169.7	-48.8	0	0	0	0	110.7	I494 S514 A515	I494-S517 WeakPolarHBondContact CG1-O 3.1Å; I494-S517 PolarHBondContact N-O 2.99Å; S514-S517 VanDerWaalsContact O-CB 3.25Å; S514-S517 WeakPolarHBondContact O-CB 3.2Å; S514-S517 PolarHBondContact O-N 3.38Å; S514-S517 PolarHBondContact O-OG 2.67Å; A515-S517 VanDerWaalsContact C-N 3.33Å
518	C	88.9	Confident	83.7	Confident	22 Å²	22	50.5 Å²	50.5	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.5	169.2	61.6	0	0	0	0	110.2	V452 M491 Y492 I493	V452-C518 HydrophobicContact CG1-CB 3.74Å; V452-C518 VanDerWaalsContact CG1-SG 3.6Å; M491-C518 HydrophobicContact CE-CB 4.16Å; Y492-C518 CarbonylContact O-C 3.59Å; Y492-C518 VanDerWaalsContact O-CA 3.27Å; Y492-C518 WeakPolarHBondContact O-CA 3.42Å; I493-C518 HydrophobicContact CG1-CB 4.26Å
519	F	89.4	Confident	82.8	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.8	173.1	66	-88.6	0	0	0	111.5	I481 Y492 I494 L499 L513 E521 I540 L548	I481-F519 HydrophobicContact CB-CE2 4.42Å; I481-F519 HydrophobicContact CB-CZ 4.31Å; I481-F519 HydrophobicContact CG2-CE2 3.93Å; I481-F519 HydrophobicContact CG2-CZ 3.86Å; Y492-F519 HydrophobicContact CD2-CD2 4.08Å; Y492-F519 AromaticContact CD2-CE2 3.38Å; Y492-F519 HydrophobicContact CD2-CE2 3.38Å; Y492-F519 AromaticContact CD2-CZ 3.73Å; Y492-F519 HydrophobicContact CD2-CZ 3.73Å; Y492-F519 HydrophobicContact CE2-CE2 4.29Å; Y492-F519 HydrophobicContact CG-CE1 4.41Å; Y492-F519 AromaticContact CG-CE2 3.92Å; Y492-F519 HydrophobicContact CG-CE2 3.92Å; Y492-F519 AromaticContact CG-CZ 3.78Å; Y492-F519 HydrophobicContact CG-CZ 3.78Å; Y492-F519 PolarHBondContact N-O 2.92Å; Y492-F519 PolarHBondContact O-N 2.95Å; I494-F519 HydrophobicContact CD1-CD1 4.33Å; I494-F519 HydrophobicContact CD1-CE1 4.37Å; I494-F519 HydrophobicContact CG1-CD1 4.22Å; I494-F519 HydrophobicContact CG1-CE1 4.04Å; L499-F519 HydrophobicContact CD1-CD1 4.04Å; L499-F519 HydrophobicContact CD1-CE1 3.19Å; L499-F519 HydrophobicContact CD1-CZ 3.63Å; L513-F519 HydrophobicContact CD1-CB 4.1Å; L513-F519 HydrophobicContact CD1-CD1 4.14Å; L513-F519 HydrophobicContact CD1-CG 4.32Å; F519-E521 VanDerWaalsContact C-N 3.3Å; F519-E521 WeakPolarHBondContact CA-OE2 3.46Å; F519-I540 HydrophobicContact CB-CD1 3.88Å; F519-I540 HydrophobicContact CD2-CD1 3.18Å; F519-I540 HydrophobicContact CD2-CG1 4.5Å; F519-I540 HydrophobicContact CE2-CB 4.48Å; F519-I540 HydrophobicContact CE2-CD1 3.71Å; F519-I540 HydrophobicContact CE2-CG2 4.2Å; F519-I540 HydrophobicContact CG-CD1 3.62Å; F519-I540 HydrophobicContact CZ-CG2 4.22Å; F519-L548 HydrophobicContact CE1-CD1 4.12Å; F519-L548 HydrophobicContact CZ-CD1 3.84Å
520	G	86.9	Confident	82	Confident	13 Å²	13	43.7 Å²	43.7	13%	0.134	25%	0.246	C	C	.	.			trans	83.4	6.7	-179.9	0	0	0	0	0	114.2	I522 R536	G520-I522 VanDerWaalsContact C-N 3.27Å; G520-I522 PolarHBondContact O-N 3.17Å; G520-R536 PolarHBondContact O-NH1 2.83Å; G520-R536 VanDerWaalsContact O-NH1 3.12Å
521	E	80.3	Confident	81.4	Confident	17 Å²	17	41.8 Å²	41.8	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-33.3	174.2	70.9	-79.2	-162.8	0	0	112.4	I454 M491 F519 I524 L525 I577	I454-E521 HydrophobicContact CD1-CB 4.31Å; I454-E521 HydrophobicContact CD1-CG 4.12Å; M491-E521 HydrophobicContact CE-CB 4.29Å; F519-E521 VanDerWaalsContact C-N 3.3Å; F519-E521 WeakPolarHBondContact CA-OE2 3.46Å; E521-I524 WeakPolarHBondContact O-CG1 3.24Å; E521-L525 WeakPolarHBondContact O-CD1 3.17Å; E521-L525 VanDerWaalsContact O-CG 3.23Å; E521-L525 WeakPolarHBondContact O-CG 3Å; E521-L525 PolarHBondContact O-N 2.69Å; E521-I577 WeakPolarHBondContact OE1-CD1 3.39Å
522	I	79.4	Confident	80.5	Confident	13 Å²	13	41.4 Å²	41.4	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-42.9	-175.2	-55	172.5	0	0	0	111.6	G520 I524 I577 L578	G520-I522 VanDerWaalsContact C-N 3.27Å; G520-I522 PolarHBondContact O-N 3.17Å; I522-I524 VanDerWaalsContact C-N 3.29Å; I522-I524 PolarHBondContact O-N 3.2Å; I522-I577 HydrophobicContact CD1-CB 3.86Å; I522-I577 HydrophobicContact CD1-CD1 4.32Å; I522-I577 HydrophobicContact CD1-CG2 3.46Å; I522-I577 VanDerWaalsContact CD1-CG2 3.46Å; I522-L578 HydrophobicContact CG2-CD1 3.75Å; I522-L578 HydrophobicContact CG2-CD2 3.69Å; I522-L578 HydrophobicContact CG2-CG 3.64Å
523	S	75.1	Confident	79.8	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-26.9	-175.1	-51.3	0	0	0	0	112.7	N534 R535	S523-N534 PolarHBondContact O-OD1 2.9Å; S523-R535 PolarHBondContact OG-O 3.01Å
524	I	78.6	Confident	79.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-84.2	-29.3	-178.5	60.9	174.9	0	0	0	112.4	M491 E521 I522 N526 K553 L556	M491-I524 HydrophobicContact CB-CD1 3.62Å; M491-I524 HydrophobicContact CG-CD1 3.62Å; M491-I524 HydrophobicContact SD-CD1 3.66Å; E521-I524 WeakPolarHBondContact O-CG1 3.24Å; I522-I524 VanDerWaalsContact C-N 3.29Å; I522-I524 PolarHBondContact O-N 3.2Å; I524-N526 PolarHBondContact O-N 3.12Å; I524-K553 HydrophobicContact CB-CB 4.15Å; I524-K553 HydrophobicContact CB-CD 4.44Å; I524-K553 HydrophobicContact CB-CG 4.1Å; I524-K553 HydrophobicContact CG2-CB 3.98Å; I524-K553 HydrophobicContact CG2-CG 4.41Å; I524-K553 WeakPolarHBondContact O-CE 3.41Å; I524-L556 HydrophobicContact CD1-CD2 3.24Å; I524-L556 HydrophobicContact CG1-CD2 4.11Å
525	L	74.8	Confident	79.1	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-78	109.5	172.1	-61.7	166.3	0	0	0	107.5	E521 I527 L570 E571	E521-L525 WeakPolarHBondContact O-CD1 3.17Å; E521-L525 VanDerWaalsContact O-CG 3.23Å; E521-L525 WeakPolarHBondContact O-CG 3Å; E521-L525 PolarHBondContact O-N 2.69Å; L525-I527 HydrophobicContact CB-CD1 4.16Å; L525-I527 HydrophobicContact CB-CG1 3.93Å; L525-I527 PolarHBondContact O-N 2.91Å; L525-L570 HydrophobicContact CD1-CB 4.01Å; L525-L570 VanDerWaalsContact CD1-O 3.31Å; L525-L570 WeakPolarHBondContact CD1-O 3.49Å; L525-L570 HydrophobicContact CD2-CB 4.11Å; L525-L570 HydrophobicContact CD2-CD2 4.35Å; L525-E571 HydrophobicContact CD2-CG 4.36Å
526	N	72.9	Confident	79.1	Confident	113 Å²	113	41 Å²	41	60%	0.604	22%	0.215	S	C	*	.			trans	-70.4	66	177.8	-79.5	-16.2	0	0	0	111	I524 K528 K553	I524-N526 PolarHBondContact O-N 3.12Å; N526-K528 PolarHBondContact O-N 2.85Å; N526-K553 PolarHBondContact OD1-NZ 2.97Å
527	I	74.8	Confident	79.1	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.097	22%	0.216	C	C	.	.			trans	-69.5	120.5	-178.2	-60.4	169.6	0	0	0	108.5	L525 S530 R575 L578 L584	L525-I527 HydrophobicContact CB-CD1 4.16Å; L525-I527 HydrophobicContact CB-CG1 3.93Å; L525-I527 PolarHBondContact O-N 2.91Å; I527-S530 WeakPolarHBondContact O-CB 3.31Å; I527-S530 PolarHBondContact O-N 2.96Å; I527-R575 HydrophobicContact CG2-CG 3.71Å; I527-L578 HydrophobicContact CB-CD1 4.33Å; I527-L578 HydrophobicContact CD1-CD1 3.84Å; I527-L578 HydrophobicContact CG2-CD1 4.25Å; I527-L584 HydrophobicContact CG2-CD1 4.44Å
528	K	67.9	Low	79	Confident	163 Å²	163	40.8 Å²	40.8	71%	0.709	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	137.1	175	-62	-178	-178.8	177.5	0	109.5	N526	N526-K528 PolarHBondContact O-N 2.85Å
529	G	66.7	Low	79.1	Confident	8 Å²	8	40.5 Å²	40.5	8%	0.082	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	4.9	-176.7	0	0	0	0	0	115.7	K531 D585 E588	G529-K531 PolarHBondContact O-N 3.36Å; G529-D585 PolarHBondContact O-N 3.36Å; G529-E588 WeakPolarHBondContact CA-OE2 3.09Å
530	S	74.1	Confident	79.4	Confident	19 Å²	19	40.6 Å²	40.6	13%	0.133	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-75.3	116.7	173.4	176.8	0	0	0	0	110.7	I527 M532 G533	I527-S530 WeakPolarHBondContact O-CB 3.31Å; I527-S530 PolarHBondContact O-N 2.96Å; S530-M532 PolarHBondContact O-N 2.91Å; S530-M532 PolarHBondContact OG-N 2.86Å; S530-G533 PolarHBondContact O-N 3.39Å; S530-G533 PolarHBondContact OG-N 2.93Å
531	K	72	Confident	79.7	Confident	129 Å²	129	42.3 Å²	42.3	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.9	177.1	-66.3	176.4	-174.3	162.4	0	113	G529 G582 L583 L584 D585	G529-K531 PolarHBondContact O-N 3.36Å; K531-G582 PolarHBondContact NZ-O 3.43Å; K531-L583 WeakPolarHBondContact CB-O 3.49Å; K531-L583 WeakPolarHBondContact CG-O 3.44Å; K531-L583 PolarHBondContact N-O 3Å; K531-L584 WeakPolarHBondContact CE-O 3.37Å; K531-L584 PolarHBondContact NZ-O 3.17Å; K531-D585 HydrophobicContact CG-CB 4.41Å
532	M	69.9	Low	80.4	Confident	38 Å²	38	41.5 Å²	41.5	19%	0.187	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-5.7	-178.2	-68.8	-176.7	58.8	0	0	113.5	S530 N534 R535 R536 T537 L583	S530-M532 PolarHBondContact O-N 2.91Å; S530-M532 PolarHBondContact OG-N 2.86Å; M532-N534 PolarHBondContact O-N 3.3Å; M532-R535 VanDerWaalsContact O-CB 3.25Å; M532-R535 WeakPolarHBondContact O-CB 3.15Å; M532-R535 PolarHBondContact O-N 3.03Å; M532-R536 WeakPolarHBondContact CE-O 3.32Å; M532-T537 VanDerWaalsContact CE-CA 3.49Å; M532-T537 HydrophobicContact CE-CG2 4.18Å; M532-T537 HydrophobicContact SD-CG2 4.1Å; M532-L583 HydrophobicContact CG-CD2 4.33Å; M532-L583 HydrophobicContact SD-CD1 3.59Å; M532-L583 VanDerWaalsContact SD-CD1 3.59Å; M532-L583 HydrophobicContact SD-CD2 3.74Å; M532-L583 HydrophobicContact SD-CG 4.24Å
533	G	78.4	Confident	81.1	Confident	36 Å²	36	44.3 Å²	44.3	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-124.9	179.4	0	0	0	0	0	112.7	S530 R535	S530-G533 PolarHBondContact O-N 3.39Å; S530-G533 PolarHBondContact OG-N 2.93Å; G533-R535 PolarHBondContact O-N 2.94Å
534	N	82.1	Confident	82	Confident	53 Å²	53	45.4 Å²	45.4	28%	0.283	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	25.4	178.7	-168.2	5.3	0	0	0	113.6	I487 G488 S523 M532	I487-N534 WeakPolarHBondContact CA-O 3.4Å; G488-N534 PolarHBondContact N-O 2.86Å; G488-N534 PolarHBondContact O-OD1 3.4Å; S523-N534 PolarHBondContact O-OD1 2.9Å; M532-N534 PolarHBondContact O-N 3.3Å
535	R	86.9	Confident	82.7	Confident	135 Å²	135	48.8 Å²	48.8	51%	0.509	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-102	152.9	176.3	-62.2	-176	178.5	-87	1.9	111.5	G485 D486 S523 M532 G533	G485-R535 WeakPolarHBondContact O-CD 3.2Å; G485-R535 PolarHBondContact O-NH1 2.63Å; D486-R535 CarbonylContact O-C 3.54Å; D486-R535 WeakPolarHBondContact O-CA 3.2Å; S523-R535 PolarHBondContact OG-O 3.01Å; M532-R535 VanDerWaalsContact O-CB 3.25Å; M532-R535 WeakPolarHBondContact O-CB 3.15Å; M532-R535 PolarHBondContact O-N 3.03Å; G533-R535 PolarHBondContact O-N 2.94Å
536	R	88.6	Confident	83.6	Confident	13 Å²	13	48.5 Å²	48.5	5%	0.049	25%	0.246	C	C	.	.			trans	-71.1	133.4	177.2	-65.3	-65.9	-167.5	-160.5	5.7	110.8	C482 R483 K484 G485 D486 E490 G520 M532	C482-R536 HydrophobicContact CB-CG 3.98Å; R483-R536 VanDerWaalsContact O-CB 3.24Å; R483-R536 WeakPolarHBondContact O-CB 3.44Å; K484-R536 WeakPolarHBondContact CA-O 3.38Å; G485-R536 PolarHBondContact N-O 3.35Å; D486-R536 HydrophobicContact CB-CG 4.11Å; D486-R536 WeakPolarHBondContact O-CG 3.46Å; D486-R536 PolarHBondContact O-N 2.99Å; E490-R536 PolarHBondContact O-NH1 2.99Å; E490-R536 PolarHBondContact O-NH2 3.48Å; G520-R536 PolarHBondContact O-NH1 2.83Å; G520-R536 VanDerWaalsContact O-NH1 3.12Å; M532-R536 WeakPolarHBondContact CE-O 3.32Å
537	T	84.8	Confident	84.5	Confident	25 Å²	25	43.8 Å²	43.8	15%	0.153	22%	0.221	C	C	.	.	S	Bend	trans	-81.9	-26.5	-177.6	58.5	0	0	0	0	113.8	K484 M532 L578 L583	K484-T537 WeakPolarHBondContact CG-O 2.99Å; M532-T537 VanDerWaalsContact CE-CA 3.49Å; M532-T537 HydrophobicContact CE-CG2 4.18Å; M532-T537 HydrophobicContact SD-CG2 4.1Å; T537-L578 HydrophobicContact CG2-CD2 4.41Å; T537-L583 HydrophobicContact CG2-CD1 3.81Å
538	A	87.1	Confident	85.3	Confident	21 Å²	21	43 Å²	43	17%	0.174	22%	0.217	C	C	.	.	S	Bend	trans	-140.7	158.7	-174.3	0	0	0	0	0	113.6	V501	V501-A538 HydrophobicContact CG1-CB 3.79Å
539	N	91.4	Very high	86.4	Confident	16 Å²	16	35.3 Å²	35.3	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.1	169.1	-52.4	-64.1	0	0	0	109.3	Y480 C482 R483 K484 V501 V502 D504	Y480-N539 HydrophobicContact CD1-CB 4.31Å; Y480-N539 HydrophobicContact CE1-CB 4.15Å; C482-N539 WeakPolarHBondContact O-CA 3.4Å; R483-N539 VanDerWaalsContact CA-OD1 3.3Å; R483-N539 WeakPolarHBondContact CA-OD1 3.3Å; K484-N539 PolarHBondContact N-OD1 3.42Å; V501-N539 WeakPolarHBondContact CA-O 3.45Å; V502-N539 HydrophobicContact CG2-CB 3.92Å; V502-N539 PolarHBondContact N-O 2.91Å; V502-N539 WeakPolarHBondContact O-CB 3.32Å; V502-N539 PolarHBondContact O-ND2 3.18Å; D504-N539 PolarHBondContact OD1-ND2 3.26Å
540	I	93.9	Very high	87.6	Confident	11 Å²	11	35 Å²	35	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.7	179.5	-58.6	178.3	0	0	0	108.5	Y480 I481 C482 L499 F519	Y480-I540 CarbonylContact C-O 3.5Å; Y480-I540 WeakPolarHBondContact CA-O 3.42Å; I481-I540 HydrophobicContact CD1-CG2 4.2Å; I481-I540 PolarHBondContact N-O 3.16Å; C482-I540 PolarHBondContact O-N 3.49Å; L499-I540 HydrophobicContact CB-CG2 3.99Å; L499-I540 HydrophobicContact CD1-CG2 4.03Å; F519-I540 HydrophobicContact CB-CD1 3.88Å; F519-I540 HydrophobicContact CD2-CD1 3.18Å; F519-I540 HydrophobicContact CD2-CG1 4.5Å; F519-I540 HydrophobicContact CE2-CB 4.48Å; F519-I540 HydrophobicContact CE2-CD1 3.71Å; F519-I540 HydrophobicContact CE2-CG2 4.2Å; F519-I540 HydrophobicContact CG-CD1 3.62Å; F519-I540 HydrophobicContact CZ-CG2 4.22Å
541	R	94.6	Very high	88.4	Confident	49 Å²	49	34.1 Å²	34.1	19%	0.185	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.4	-177.3	-173.6	175.9	67	-161.6	-4.9	111	D479 Y480 L499 A500 V502 G506	D479-R541 CarbonylContact O-C 3.33Å; D479-R541 WeakPolarHBondContact O-CA 3.5Å; Y480-R541 HydrophobicContact CD1-CB 4.18Å; Y480-R541 HydrophobicContact CE1-CB 4.16Å; L499-R541 CarbonylContact C-O 3.45Å; L499-R541 WeakPolarHBondContact CA-O 3.45Å; A500-R541 PolarHBondContact N-O 2.99Å; A500-R541 PolarHBondContact O-N 3.35Å; V502-R541 HydrophobicContact CG2-CB 3.85Å; G506-R541 PolarHBondContact O-NH1 3Å; G506-R541 PolarHBondContact O-NH2 3.12Å; G506-R541 VanDerWaalsContact O-NH2 3.16Å
542	S	95.4	Very high	89.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.4	172.5	-161.2	0	0	0	0	110.8	S476 G478 D479 G544 S546	S476-S542 WeakPolarHBondContact O-CB 3.35Å; G478-S542 WeakPolarHBondContact CA-O 3.41Å; G478-S542 PolarHBondContact N-O 3.28Å; D479-S542 PolarHBondContact O-N 2.96Å; S542-G544 WeakPolarHBondContact CB-O 3.27Å; S542-G544 PolarHBondContact OG-O 3.43Å; S542-S546 WeakPolarHBondContact OG-CB 3.37Å; S542-S546 PolarHBondContact OG-OG 3.45Å
543	L	93.4	Very high	90.3	Very high	73 Å²	73	28.5 Å²	28.5	38%	0.382	15%	0.15	S	C	.	.	S	Bend	trans	-81.6	-33	174.9	-65.7	177.4	0	0	0	112	R498 A500 L512	R498-L543 HydrophobicContact CB-CD1 4.34Å; R498-L543 WeakPolarHBondContact O-CB 3.32Å; R498-L543 PolarHBondContact O-N 3.34Å; A500-L543 HydrophobicContact CB-CD1 4.23Å; A500-L543 HydrophobicContact CB-CD2 3.86Å; A500-L543 HydrophobicContact CB-CG 4.01Å; L512-L543 HydrophobicContact CD1-CD1 3.44Å; L512-L543 VanDerWaalsContact CD1-CD1 3.44Å
544	G	93.3	Very high	90.8	Very high	26 Å²	26	32.8 Å²	32.8	27%	0.268	17%	0.165	S	C	.	.	S	Bend	trans	-130.4	-160.1	177.9	0	0	0	0	0	111.2	S476 P477 S542	S476-G544 CarbonylContact C-O 3.55Å; P477-G544 WeakPolarHBondContact CA-O 3.34Å; S542-G544 WeakPolarHBondContact CB-O 3.27Å; S542-G544 PolarHBondContact OG-O 3.43Å
545	Y	93.3	Very high	91.3	Very high	71 Å²	71	32.2 Å²	32.2	28%	0.278	16%	0.162	S	C	.	.			trans	-72.2	129.9	162.2	-70.5	-86.5	0	0	0	108.8	R411 Y415 F475 P477	R411-Y545 PolarHBondContact O-OH 3.23Å; Y415-Y545 AromaticContact CD1-CD1 3.45Å; Y415-Y545 HydrophobicContact CD1-CD1 3.45Å; Y415-Y545 VanDerWaalsContact CD1-CD1 3.45Å; Y415-Y545 AromaticContact CD1-CE1 3.8Å; Y415-Y545 HydrophobicContact CD1-CE1 3.8Å; Y415-Y545 AromaticContact CD1-CG 3.99Å; Y415-Y545 HydrophobicContact CD1-CG 3.99Å; Y415-Y545 AromaticContact CD2-CD1 3.6Å; Y415-Y545 HydrophobicContact CD2-CD1 3.6Å; Y415-Y545 AromaticContact CD2-CD2 3.46Å; Y415-Y545 HydrophobicContact CD2-CD2 3.46Å; Y415-Y545 VanDerWaalsContact CD2-CD2 3.46Å; Y415-Y545 AromaticContact CD2-CE1 3.81Å; Y415-Y545 HydrophobicContact CD2-CE1 3.81Å; Y415-Y545 AromaticContact CD2-CE2 3.69Å; Y415-Y545 HydrophobicContact CD2-CE2 3.69Å; Y415-Y545 AromaticContact CD2-CG 3.4Å; Y415-Y545 HydrophobicContact CD2-CG 3.4Å; Y415-Y545 VanDerWaalsContact CD2-CG 3.4Å; Y415-Y545 AromaticContact CD2-CZ 3.84Å; Y415-Y545 AromaticContact CE1-CD1 3.73Å; Y415-Y545 HydrophobicContact CE1-CD1 3.73Å; Y415-Y545 AromaticContact CE1-CG 3.93Å; Y415-Y545 HydrophobicContact CE1-CG 3.93Å; Y415-Y545 AromaticContact CE2-CD1 3.85Å; Y415-Y545 HydrophobicContact CE2-CD1 3.85Å; Y415-Y545 AromaticContact CE2-CD2 3.57Å; Y415-Y545 HydrophobicContact CE2-CD2 3.57Å; Y415-Y545 HydrophobicContact CE2-CE2 4.28Å; Y415-Y545 AromaticContact CE2-CG 3.31Å; Y415-Y545 HydrophobicContact CE2-CG 3.31Å; Y415-Y545 AromaticContact CG-CD1 3.41Å; Y415-Y545 HydrophobicContact CG-CD1 3.41Å; Y415-Y545 VanDerWaalsContact CG-CD1 3.41Å; Y415-Y545 HydrophobicContact CG-CD2 4.12Å; Y415-Y545 AromaticContact CG-CE1 3.42Å; Y415-Y545 HydrophobicContact CG-CE1 3.42Å; Y415-Y545 VanDerWaalsContact CG-CE1 3.42Å; Y415-Y545 HydrophobicContact CG-CE2 4.14Å; Y415-Y545 AromaticContact CG-CG 3.76Å; Y415-Y545 HydrophobicContact CG-CG 3.76Å; Y415-Y545 AromaticContact CG-CZ 3.79Å; Y415-Y545 AromaticContact CZ-CD1 3.93Å; Y415-Y545 AromaticContact CZ-CG 3.61Å; Y415-Y545 WeakPolarHBondContact OH-CB 3.34Å; F475-Y545 WeakPolarHBondContact O-CA 3.29Å; P477-Y545 HydrophobicContact CG-CD2 3.81Å; P477-Y545 HydrophobicContact CG-CE2 3.82Å; P477-Y545 HydrophobicContact CG-CG 4.31Å
546	S	93.4	Very high	91.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.9	-177.6	-58.6	0	0	0	0	110.7	V474 F475 E496 L499 S542	V474-S546 WeakPolarHBondContact CA-O 3.5Å; F475-S546 PolarHBondContact N-O 3.48Å; F475-S546 PolarHBondContact O-N 2.9Å; E496-S546 CarbonylContact O-C 3.52Å; E496-S546 WeakPolarHBondContact O-CA 3.15Å; L499-S546 WeakPolarHBondContact CD2-OG 3.34Å; S542-S546 WeakPolarHBondContact OG-CB 3.37Å; S542-S546 PolarHBondContact OG-OG 3.45Å
547	D	91.7	Very high	91.2	Very high	14 Å²	14	28 Å²	28	8%	0.075	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.5	174.5	-71.8	1.5	0	0	0	109.3	K421 K495 E496	K421-D547 WeakPolarHBondContact CE-OD2 3.29Å; K421-D547 IonicContact NZ-OD1 3.37Å; K421-D547 PolarHBondContact NZ-OD1 3.24Å; K421-D547 IonicContact NZ-OD2 2.66Å; K421-D547 PolarHBondContact NZ-OD2 2.92Å; K495-D547 HydrophobicContact CB-CB 4.3Å; K495-D547 WeakPolarHBondContact CB-O 3.33Å; K495-D547 HydrophobicContact CD-CB 4.47Å; K495-D547 PolarHBondContact N-O 3.21Å; E496-D547 HydrophobicContact CB-CB 4.14Å; E496-D547 PolarHBondContact N-O 2.93Å; E496-D547 VanDerWaalsContact N-O 3.17Å; E496-D547 PolarHBondContact O-N 3.43Å
548	L	92.6	Very high	91.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.4	-179.5	-52	-173.9	0	0	0	109.6	P472 Q473 F475 I481 Y492 I493 I494 L499 F519	P472-L548 CarbonylContact C-O 3.57Å; Q473-L548 PolarHBondContact N-O 2.92Å; Q473-L548 PolarHBondContact O-N 3.36Å; F475-L548 HydrophobicContact CD2-CD1 3.56Å; F475-L548 HydrophobicContact CD2-CG 3.96Å; F475-L548 HydrophobicContact CE2-CB 4.4Å; F475-L548 HydrophobicContact CE2-CD1 3.62Å; F475-L548 HydrophobicContact CE2-CG 4.22Å; I481-L548 HydrophobicContact CG1-CD1 4.09Å; I481-L548 HydrophobicContact CG2-CD1 4.22Å; Y492-L548 HydrophobicContact CD1-CB 4.32Å; Y492-L548 HydrophobicContact CD1-CD1 4.31Å; Y492-L548 HydrophobicContact CG-CD1 4.36Å; I493-L548 CarbonylContact O-C 3.34Å; I493-L548 WeakPolarHBondContact O-CA 3.47Å; I494-L548 HydrophobicContact CB-CD2 4.07Å; I494-L548 HydrophobicContact CG1-CD2 3.82Å; I494-L548 HydrophobicContact CG2-CD2 4.02Å; L499-L548 HydrophobicContact CD1-CD1 4.18Å; L499-L548 HydrophobicContact CD1-CD2 4Å; F519-L548 HydrophobicContact CE1-CD1 4.12Å; F519-L548 HydrophobicContact CZ-CD1 3.84Å
549	F	91.4	Very high	91.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.2	160.2	-68.4	-66.9	0	0	0	109	H445 T448 L470 P472 Y492 I493 K495	H445-F549 AromaticContact CE1-CE1 3.59Å; H445-F549 AromaticContact CE1-CZ 3.44Å; H445-F549 VanDerWaalsContact CE1-CZ 3.44Å; H445-F549 WeakPolarHBondContact CE1-CZ 3.39Å; H445-F549 AromaticContact ND1-CE1 3.65Å; H445-F549 AromaticContact ND1-CE2 3.89Å; H445-F549 AromaticContact ND1-CZ 3.12Å; H445-F549 WeakPolarHBondContact ND1-CZ 3.32Å; T448-F549 HydrophobicContact CG2-CD2 4.44Å; T448-F549 HydrophobicContact CG2-CE2 4.28Å; L470-F549 HydrophobicContact CB-CB 4.3Å; L470-F549 HydrophobicContact CB-CD1 4.09Å; L470-F549 HydrophobicContact CB-CG 4.4Å; L470-F549 HydrophobicContact CD1-CB 4Å; L470-F549 HydrophobicContact CD1-CD1 4.31Å; L470-F549 HydrophobicContact CD1-CD2 4.28Å; L470-F549 HydrophobicContact CD1-CG 3.96Å; L470-F549 HydrophobicContact CD2-CB 4.06Å; L470-F549 HydrophobicContact CG-CB 4.34Å; P472-F549 HydrophobicContact CB-CD1 4.33Å; P472-F549 HydrophobicContact CB-CE1 4.17Å; Y492-F549 CarbonylContact C-O 3.58Å; Y492-F549 VanDerWaalsContact CA-O 3.26Å; Y492-F549 WeakPolarHBondContact CA-O 3.24Å; I493-F549 HydrophobicContact CB-CB 4.28Å; I493-F549 PolarHBondContact N-O 3.26Å; I493-F549 PolarHBondContact O-N 3.03Å; K495-F549 HydrophobicContact CB-CD2 4.04Å; K495-F549 HydrophobicContact CB-CE2 3.77Å; K495-F549 HydrophobicContact CD-CE2 3.62Å; K495-F549 HydrophobicContact CD-CZ 3.67Å; K495-F549 HydrophobicContact CG-CE2 3.74Å; K495-F549 HydrophobicContact CG-CZ 4.32Å
550	C	91.8	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.7	172.6	168.8	0	0	0	0	109.7	R471 Q473 E490 M491 Y492	R471-C550 HydrophobicContact CB-CB 4.43Å; R471-C550 PolarHBondContact N-O 2.91Å; R471-C550 PolarHBondContact O-N 2.92Å; Q473-C550 HydrophobicContact CG-CB 4.11Å; E490-C550 PolarHBondContact OE1-SG 3.3Å; E490-C550 PolarHBondContact OE2-SG 3.46Å; M491-C550 WeakPolarHBondContact O-CA 3.34Å; Y492-C550 HydrophobicContact CD1-CB 3.92Å; Y492-C550 HydrophobicContact CE1-CB 3.76Å
551	L	91	Very high	90.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.1	169.2	-177.9	66.1	0	0	0	108.6	L466 K469 L470 E490 M491 D555 L556	L466-L551 HydrophobicContact CD2-CD1 4.49Å; L466-L551 HydrophobicContact CD2-CD2 3.84Å; K469-L551 HydrophobicContact CB-CD1 3.94Å; L470-L551 HydrophobicContact CD2-CB 3.97Å; L470-L551 HydrophobicContact CD2-CD1 4.31Å; E490-L551 CarbonylContact C-O 3.58Å; E490-L551 VanDerWaalsContact CA-O 3.27Å; E490-L551 WeakPolarHBondContact CA-O 3.37Å; M491-L551 HydrophobicContact CG-CB 3.81Å; M491-L551 HydrophobicContact CG-CD2 4.26Å; M491-L551 HydrophobicContact CG-CG 4.44Å; M491-L551 PolarHBondContact N-O 2.84Å; M491-L551 PolarHBondContact O-N 3.2Å; M491-L551 HydrophobicContact SD-CD2 3.95Å; L551-D555 HydrophobicContact CD1-CB 3.83Å; L551-L556 HydrophobicContact CD2-CB 3.8Å; L551-L556 HydrophobicContact CD2-CD1 3.66Å; L551-L556 HydrophobicContact CD2-CG 4.23Å; L551-L556 HydrophobicContact CG-CB 4.16Å
552	S	92	Very high	90.5	Very high	17 Å²	17	39 Å²	39	12%	0.119	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	155.9	179.4	83	0	0	0	0	111.2	D554 D555 L556	S552-D554 VanDerWaalsContact C-N 3.3Å; S552-D554 PolarHBondContact O-N 3.37Å; S552-D555 WeakPolarHBondContact CB-OD2 3.27Å; S552-D555 PolarHBondContact O-N 2.9Å; S552-D555 VanDerWaalsContact OG-CB 3.3Å; S552-D555 WeakPolarHBondContact OG-CB 3.33Å; S552-D555 PolarHBondContact OG-N 2.79Å; S552-D555 VanDerWaalsContact OG-N 3.13Å; S552-D555 PolarHBondContact OG-OD2 3.38Å; S552-L556 PolarHBondContact O-N 2.89Å
553	K	88.6	Confident	90	Very high	32 Å²	32	41.3 Å²	41.3	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-44.9	174.9	177.8	175.1	-177.2	160.5	0	111.7	K489 I524 N526 L556 M557	K489-K553 WeakPolarHBondContact O-CB 3.3Å; K489-K553 PolarHBondContact O-N 3.5Å; I524-K553 HydrophobicContact CB-CB 4.15Å; I524-K553 HydrophobicContact CB-CD 4.44Å; I524-K553 HydrophobicContact CB-CG 4.1Å; I524-K553 HydrophobicContact CG2-CB 3.98Å; I524-K553 HydrophobicContact CG2-CG 4.41Å; I524-K553 WeakPolarHBondContact O-CE 3.41Å; N526-K553 PolarHBondContact OD1-NZ 2.97Å; K553-L556 PolarHBondContact O-N 3.19Å; K553-M557 HydrophobicContact CG-CG 4.2Å; K553-M557 WeakPolarHBondContact O-CB 3.42Å; K553-M557 WeakPolarHBondContact O-CG 3.17Å; K553-M557 PolarHBondContact O-N 3.3Å
554	D	90.3	Very high	89.6	Confident	127 Å²	127	41.5 Å²	41.5	68%	0.679	22%	0.219	S	C	*	.	H	α-helix	trans	-64.9	-44.8	-176.9	-57.8	-32	0	0	0	110.3	S552 L556 M557 E558	S552-D554 VanDerWaalsContact C-N 3.3Å; S552-D554 PolarHBondContact O-N 3.37Å; D554-L556 PolarHBondContact O-N 2.92Å; D554-M557 PolarHBondContact O-N 3.21Å; D554-E558 WeakPolarHBondContact O-CB 3.41Å; D554-E558 PolarHBondContact O-N 3.5Å
555	D	91.1	Very high	89.1	Confident	41 Å²	41	45.4 Å²	45.4	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-42.6	177.8	-68.7	-37.9	0	0	0	112.6	K469 L551 S552 A559	K469-D555 HydrophobicContact CB-CB 4.03Å; K469-D555 HydrophobicContact CD-CB 3.62Å; K469-D555 HydrophobicContact CG-CB 4.37Å; K469-D555 PolarHBondContact NZ-O 3.07Å; L551-D555 HydrophobicContact CD1-CB 3.83Å; S552-D555 WeakPolarHBondContact CB-OD2 3.27Å; S552-D555 PolarHBondContact O-N 2.9Å; S552-D555 VanDerWaalsContact OG-CB 3.3Å; S552-D555 WeakPolarHBondContact OG-CB 3.33Å; S552-D555 PolarHBondContact OG-N 2.79Å; S552-D555 VanDerWaalsContact OG-N 3.13Å; S552-D555 PolarHBondContact OG-OD2 3.38Å; D555-A559 PolarHBondContact O-N 3.5Å
556	L	87.7	Confident	88.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-47.2	177	179.3	69.4	0	0	0	110.7	L466 M491 I524 L551 S552 K553 D554 E558 A559 V560 L570	L466-L556 HydrophobicContact CD2-CD1 3.87Å; M491-L556 HydrophobicContact SD-CD2 3.97Å; I524-L556 HydrophobicContact CD1-CD2 3.24Å; I524-L556 HydrophobicContact CG1-CD2 4.11Å; L551-L556 HydrophobicContact CD2-CB 3.8Å; L551-L556 HydrophobicContact CD2-CD1 3.66Å; L551-L556 HydrophobicContact CD2-CG 4.23Å; L551-L556 HydrophobicContact CG-CB 4.16Å; S552-L556 PolarHBondContact O-N 2.89Å; K553-L556 PolarHBondContact O-N 3.19Å; D554-L556 PolarHBondContact O-N 2.92Å; L556-E558 VanDerWaalsContact C-N 3.32Å; L556-E558 PolarHBondContact O-N 3.04Å; L556-A559 PolarHBondContact O-N 3.36Å; L556-V560 HydrophobicContact CD1-CG2 3.57Å; L556-V560 HydrophobicContact CG-CG2 3.95Å; L556-V560 VanDerWaalsContact O-CB 3.26Å; L556-V560 WeakPolarHBondContact O-CB 3.44Å; L556-V560 VanDerWaalsContact O-CG2 3.23Å; L556-V560 WeakPolarHBondContact O-CG2 3.25Å; L556-V560 PolarHBondContact O-N 2.94Å; L556-L570 HydrophobicContact CD1-CD2 4.33Å; L556-L570 HydrophobicContact CD2-CD2 4.09Å
557	M	86.9	Confident	88	Confident	58 Å²	58	45.8 Å²	45.8	29%	0.286	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-39.4	-176.8	-74	-58.8	-56.3	0	0	111.3	K553 D554 T561	K553-M557 HydrophobicContact CG-CG 4.2Å; K553-M557 WeakPolarHBondContact O-CB 3.42Å; K553-M557 WeakPolarHBondContact O-CG 3.17Å; K553-M557 PolarHBondContact O-N 3.3Å; D554-M557 PolarHBondContact O-N 3.21Å; M557-T561 WeakPolarHBondContact O-CB 3.35Å; M557-T561 PolarHBondContact O-N 3.29Å; M557-T561 PolarHBondContact O-OG1 3.1Å
558	E	89.3	Confident	87.6	Confident	115 Å²	115	50.1 Å²	50.1	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-53.3	172.5	-175	-176.1	-157.4	0	0	110.7	K469 D554 L556 V560 T561	K469-E558 IonicContact NZ-OE2 3.17Å; K469-E558 PolarHBondContact NZ-OE2 2.97Å; D554-E558 WeakPolarHBondContact O-CB 3.41Å; D554-E558 PolarHBondContact O-N 3.5Å; L556-E558 VanDerWaalsContact C-N 3.32Å; L556-E558 PolarHBondContact O-N 3.04Å; E558-V560 PolarHBondContact O-N 3.14Å; E558-T561 WeakPolarHBondContact O-CB 3.29Å; E558-T561 PolarHBondContact O-N 2.93Å
559	A	88.1	Confident	87.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-46	-178.4	0	0	0	0	0	111.8	L462 E465 L466 D555 L556 T561 E562 Y563	L462-A559 HydrophobicContact CD1-CB 3.9Å; E465-A559 HydrophobicContact CG-CB 4.42Å; E465-A559 WeakPolarHBondContact OE1-CA 3.37Å; E465-A559 WeakPolarHBondContact OE1-CB 3.39Å; L466-A559 HydrophobicContact CD2-CB 3.74Å; D555-A559 PolarHBondContact O-N 3.5Å; L556-A559 PolarHBondContact O-N 3.36Å; A559-T561 PolarHBondContact O-N 3.33Å; A559-E562 PolarHBondContact O-N 2.74Å; A559-Y563 WeakPolarHBondContact O-CD2 3.34Å
560	V	85.4	Confident	86.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-72.3	-15.3	-177.3	173.7	0	0	0	0	112.5	L462 L556 E558 E562 Y563 K567	L462-V560 HydrophobicContact CD1-CG2 4.36Å; L556-V560 HydrophobicContact CD1-CG2 3.57Å; L556-V560 HydrophobicContact CG-CG2 3.95Å; L556-V560 VanDerWaalsContact O-CB 3.26Å; L556-V560 WeakPolarHBondContact O-CB 3.44Å; L556-V560 VanDerWaalsContact O-CG2 3.23Å; L556-V560 WeakPolarHBondContact O-CG2 3.25Å; L556-V560 PolarHBondContact O-N 2.94Å; E558-V560 PolarHBondContact O-N 3.14Å; V560-E562 VanDerWaalsContact C-N 3.3Å; V560-Y563 CarbonylContact O-C 3.58Å; V560-Y563 PolarHBondContact O-N 2.88Å; V560-K567 HydrophobicContact CG1-CB 3.2Å; V560-K567 HydrophobicContact CG1-CD 4.03Å; V560-K567 HydrophobicContact CG1-CG 3.45Å; V560-K567 VanDerWaalsContact CG1-CG 3.45Å
561	T	86.8	Confident	86	Confident	99 Å²	99	55 Å²	55	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-67.7	-32.4	172.8	-59	0	0	0	0	111.7	M557 E558 A559	M557-T561 WeakPolarHBondContact O-CB 3.35Å; M557-T561 PolarHBondContact O-N 3.29Å; M557-T561 PolarHBondContact O-OG1 3.1Å; E558-T561 WeakPolarHBondContact O-CB 3.29Å; E558-T561 PolarHBondContact O-N 2.93Å; A559-T561 PolarHBondContact O-N 3.33Å
562	E	86.6	Confident	85.5	Confident	135 Å²	135	59.9 Å²	59.9	63%	0.631	31%	0.306	S	S	*	.	H	α-helix	trans	-78.3	-23.1	175.8	-61.3	-170.6	176.9	0	0	112.7	A559 V560 P564	A559-E562 PolarHBondContact O-N 2.74Å; V560-E562 VanDerWaalsContact C-N 3.3Å; E562-P564 VanDerWaalsContact O-CD 3.31Å; E562-P564 WeakPolarHBondContact O-CD 3.44Å
563	Y	85.9	Confident	84.9	Confident	50 Å²	50	63 Å²	63	20%	0.196	32%	0.315	C	S	.	.			trans	-119.8	77.1	-177.9	-58.2	-90.2	0	0	0	111.7	E459 G461 L462 A559 V560 D565 A566 K567	E459-Y563 HydrophobicContact CB-CD1 4.38Å; E459-Y563 HydrophobicContact CB-CE1 4.49Å; E459-Y563 WeakPolarHBondContact OE2-CE1 3.41Å; G461-Y563 VanDerWaalsContact C-OH 3.31Å; G461-Y563 WeakPolarHBondContact CA-OH 3.09Å; L462-Y563 HydrophobicContact CB-CD1 4.12Å; L462-Y563 HydrophobicContact CB-CD2 3.78Å; L462-Y563 HydrophobicContact CB-CE1 4.32Å; L462-Y563 HydrophobicContact CB-CE2 4.02Å; L462-Y563 HydrophobicContact CB-CG 3.85Å; L462-Y563 HydrophobicContact CD1-CD2 3.7Å; L462-Y563 HydrophobicContact CD1-CE2 4.27Å; L462-Y563 HydrophobicContact CD1-CG 4.27Å; L462-Y563 HydrophobicContact CG-CD2 4.26Å; L462-Y563 HydrophobicContact CG-CG 4.46Å; A559-Y563 WeakPolarHBondContact O-CD2 3.34Å; V560-Y563 CarbonylContact O-C 3.58Å; V560-Y563 PolarHBondContact O-N 2.88Å; Y563-D565 VanDerWaalsContact C-N 3.29Å; Y563-D565 PolarHBondContact O-N 2.72Å; Y563-A566 PolarHBondContact O-N 2.92Å; Y563-K567 PolarHBondContact O-N 3.15Å
564	P	84.2	Confident	84.4	Confident	77 Å²	77	61.5 Å²	61.5	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-65.2	-26.7	-172.1	25.4	-35	0	0	0	114.2	E562 K567 K568	E562-P564 VanDerWaalsContact O-CD 3.31Å; E562-P564 WeakPolarHBondContact O-CD 3.44Å; P564-K567 VanDerWaalsContact O-CB 3.28Å; P564-K567 WeakPolarHBondContact O-CB 3.33Å; P564-K567 PolarHBondContact O-N 3.09Å; P564-K568 WeakPolarHBondContact O-CG 3.27Å; P564-K568 PolarHBondContact O-N 3.23Å
565	D	82.4	Confident	83.9	Confident	107 Å²	107	59 Å²	59	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-73.6	-37.7	178	-67.5	-31.1	0	0	0	111.8	Y563 K567 K568 V569	Y563-D565 VanDerWaalsContact C-N 3.29Å; Y563-D565 PolarHBondContact O-N 2.72Å; D565-K567 VanDerWaalsContact C-N 3.27Å; D565-K567 PolarHBondContact O-N 3.07Å; D565-K568 PolarHBondContact O-N 3.13Å; D565-K568 IonicContact OD1-NZ 3.86Å; D565-K568 PolarHBondContact OD1-NZ 3.23Å; D565-V569 WeakPolarHBondContact O-CG2 3.16Å; D565-V569 PolarHBondContact O-N 3.01Å
566	A	80.6	Confident	83.3	Confident	11 Å²	11	63.3 Å²	63.3	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-38.3	170.8	0	0	0	0	0	111.2	L462 Y563 K568 V569 L570	L462-A566 HydrophobicContact CD2-CB 3.32Å; Y563-A566 PolarHBondContact O-N 2.92Å; A566-K568 VanDerWaalsContact C-N 3.33Å; A566-K568 PolarHBondContact O-N 3.42Å; A566-V569 PolarHBondContact O-N 2.92Å; A566-L570 WeakPolarHBondContact O-CD1 3.31Å; A566-L570 PolarHBondContact O-N 3.11Å
567	K	84.1	Confident	82.8	Confident	69 Å²	69	65.4 Å²	65.4	30%	0.3	32%	0.319	S	S	.	.	H	α-helix	trans	-54.7	-48.4	173.9	-165.9	174.6	171.4	-177.8	0	112.2	V560 Y563 P564 D565 L570 E571	V560-K567 HydrophobicContact CG1-CB 3.2Å; V560-K567 HydrophobicContact CG1-CD 4.03Å; V560-K567 HydrophobicContact CG1-CG 3.45Å; V560-K567 VanDerWaalsContact CG1-CG 3.45Å; Y563-K567 PolarHBondContact O-N 3.15Å; P564-K567 VanDerWaalsContact O-CB 3.28Å; P564-K567 WeakPolarHBondContact O-CB 3.33Å; P564-K567 PolarHBondContact O-N 3.09Å; D565-K567 VanDerWaalsContact C-N 3.27Å; D565-K567 PolarHBondContact O-N 3.07Å; K567-L570 PolarHBondContact O-N 2.85Å; K567-E571 WeakPolarHBondContact CE-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.19Å; K567-E571 WeakPolarHBondContact O-CG 3.3Å; K567-E571 PolarHBondContact O-N 2.89Å
568	K	82.4	Confident	82.4	Confident	106 Å²	106	62.7 Å²	62.7	46%	0.461	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-46.3	-179.9	-67	170.6	-166	155.3	0	111	P564 D565 A566 L570 E571 E572	P564-K568 WeakPolarHBondContact O-CG 3.27Å; P564-K568 PolarHBondContact O-N 3.23Å; D565-K568 PolarHBondContact O-N 3.13Å; D565-K568 IonicContact OD1-NZ 3.86Å; D565-K568 PolarHBondContact OD1-NZ 3.23Å; A566-K568 VanDerWaalsContact C-N 3.33Å; A566-K568 PolarHBondContact O-N 3.42Å; K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 3.47Å; K568-E571 PolarHBondContact O-N 2.9Å; K568-E572 WeakPolarHBondContact O-CB 3.41Å; K568-E572 WeakPolarHBondContact O-CG 3.23Å; K568-E572 PolarHBondContact O-N 2.82Å
569	V	82.3	Confident	81.9	Confident	55 Å²	55	62.1 Å²	62.1	33%	0.333	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-42.9	178.1	174.8	0	0	0	0	111.5	D565 A566 R573	D565-V569 WeakPolarHBondContact O-CG2 3.16Å; D565-V569 PolarHBondContact O-N 3.01Å; A566-V569 PolarHBondContact O-N 2.92Å; V569-R573 WeakPolarHBondContact O-CB 3.49Å; V569-R573 PolarHBondContact O-N 3.49Å; V569-R573 VanDerWaalsContact O-N 3.1Å
570	L	79	Confident	81.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-45.8	175.2	-91.7	85.2	0	0	0	111.8	I454 F455 L525 L556 A566 K567 K568 G574	I454-L570 HydrophobicContact CD1-CD2 4.44Å; I454-L570 HydrophobicContact CD1-CG 3.86Å; I454-L570 HydrophobicContact CG1-CD1 4.29Å; I454-L570 HydrophobicContact CG1-CG 3.95Å; F455-L570 HydrophobicContact CE1-CD1 4.29Å; F455-L570 HydrophobicContact CE1-CD2 4.41Å; L525-L570 HydrophobicContact CD1-CB 4.01Å; L525-L570 VanDerWaalsContact CD1-O 3.31Å; L525-L570 WeakPolarHBondContact CD1-O 3.49Å; L525-L570 HydrophobicContact CD2-CB 4.11Å; L525-L570 HydrophobicContact CD2-CD2 4.35Å; L556-L570 HydrophobicContact CD1-CD2 4.33Å; L556-L570 HydrophobicContact CD2-CD2 4.09Å; A566-L570 WeakPolarHBondContact O-CD1 3.31Å; A566-L570 PolarHBondContact O-N 3.11Å; K567-L570 PolarHBondContact O-N 2.85Å; K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 3.47Å; L570-G574 PolarHBondContact O-N 2.98Å
571	E	81.4	Confident	80.9	Confident	52 Å²	52	75.8 Å²	75.8	24%	0.243	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-39	-180	-74.7	-180	178.8	0	0	113.4	L525 K567 K568 G574 R575	L525-E571 HydrophobicContact CD2-CG 4.36Å; K567-E571 WeakPolarHBondContact CE-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.19Å; K567-E571 WeakPolarHBondContact O-CG 3.3Å; K567-E571 PolarHBondContact O-N 2.89Å; K568-E571 PolarHBondContact O-N 2.9Å; E571-G574 PolarHBondContact O-N 3.27Å; E571-R575 WeakPolarHBondContact O-CB 3.37Å; E571-R575 WeakPolarHBondContact O-CG 3.24Å; E571-R575 PolarHBondContact O-N 3.26Å
572	E	80.9	Confident	80.3	Confident	103 Å²	103	73.2 Å²	73.2	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-48.2	175.6	-78	173.7	-177	0	0	110.7	K568 G574 R575 E576	K568-E572 WeakPolarHBondContact O-CB 3.41Å; K568-E572 WeakPolarHBondContact O-CG 3.23Å; K568-E572 PolarHBondContact O-N 2.82Å; E572-G574 VanDerWaalsContact C-N 3.31Å; E572-G574 PolarHBondContact O-N 3.31Å; E572-R575 WeakPolarHBondContact O-CA 3.29Å; E572-R575 WeakPolarHBondContact O-CB 3.43Å; E572-R575 PolarHBondContact O-N 3.4Å; E572-R575 VanDerWaalsContact O-N 3.09Å; E572-E576 WeakPolarHBondContact O-CG 3.48Å; E572-E576 PolarHBondContact O-N 3.34Å
573	R	78.1	Confident	79.7	Confident	82 Å²	82	68.6 Å²	68.6	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176.7	-164.6	174	-173.2	117	7	112.2	V569 R575 E576 I577	V569-R573 WeakPolarHBondContact O-CB 3.49Å; V569-R573 PolarHBondContact O-N 3.49Å; V569-R573 VanDerWaalsContact O-N 3.1Å; R573-R575 VanDerWaalsContact C-N 3.33Å; R573-E576 PolarHBondContact O-N 2.82Å; R573-I577 WeakPolarHBondContact O-CG1 3.33Å; R573-I577 PolarHBondContact O-N 2.92Å
574	G	78.2	Confident	79.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-40.5	172.7	0	0	0	0	0	112.5	L570 E571 E572 L578	L570-G574 PolarHBondContact O-N 2.98Å; E571-G574 PolarHBondContact O-N 3.27Å; E572-G574 VanDerWaalsContact C-N 3.31Å; E572-G574 PolarHBondContact O-N 3.31Å; G574-L578 WeakPolarHBondContact O-CB 3.45Å; G574-L578 WeakPolarHBondContact O-CG 3.31Å; G574-L578 PolarHBondContact O-N 2.93Å
575	R	79.7	Confident	78.8	Confident	76 Å²	76	65.6 Å²	65.6	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-44.8	174.6	-83.5	-177.1	-96.3	162.8	-8.6	112.4	I527 E571 E572 R573 I577 L578 M579 L584	I527-R575 HydrophobicContact CG2-CG 3.71Å; E571-R575 WeakPolarHBondContact O-CB 3.37Å; E571-R575 WeakPolarHBondContact O-CG 3.24Å; E571-R575 PolarHBondContact O-N 3.26Å; E572-R575 WeakPolarHBondContact O-CA 3.29Å; E572-R575 WeakPolarHBondContact O-CB 3.43Å; E572-R575 PolarHBondContact O-N 3.4Å; E572-R575 VanDerWaalsContact O-N 3.09Å; R573-R575 VanDerWaalsContact C-N 3.33Å; R575-I577 VanDerWaalsContact C-N 3.3Å; R575-I577 PolarHBondContact O-N 2.96Å; R575-L578 PolarHBondContact O-N 2.93Å; R575-M579 WeakPolarHBondContact O-CG 3.48Å; R575-M579 PolarHBondContact O-N 3.26Å; R575-L584 HydrophobicContact CG-CD1 4.49Å
576	E	79.8	Confident	78.1	Confident	131 Å²	131	67.5 Å²	67.5	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-56.9	-43.6	177	-73.2	178.6	174.7	0	0	112.1	E572 R573 M579 K580	E572-E576 WeakPolarHBondContact O-CG 3.48Å; E572-E576 PolarHBondContact O-N 3.34Å; R573-E576 PolarHBondContact O-N 2.82Å; E576-M579 PolarHBondContact O-N 3.43Å; E576-K580 WeakPolarHBondContact O-CB 3.12Å; E576-K580 PolarHBondContact O-N 3.3Å
577	I	77.1	Confident	77.2	Confident	46 Å²	46	73 Å²	73	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-68.2	-44.5	179	-59.7	163.1	0	0	0	110.5	E521 I522 R573 R575 M579 K580 E581	E521-I577 WeakPolarHBondContact OE1-CD1 3.39Å; I522-I577 HydrophobicContact CD1-CB 3.86Å; I522-I577 HydrophobicContact CD1-CD1 4.32Å; I522-I577 HydrophobicContact CD1-CG2 3.46Å; I522-I577 VanDerWaalsContact CD1-CG2 3.46Å; R573-I577 WeakPolarHBondContact O-CG1 3.33Å; R573-I577 PolarHBondContact O-N 2.92Å; R575-I577 VanDerWaalsContact C-N 3.3Å; R575-I577 PolarHBondContact O-N 2.96Å; I577-M579 VanDerWaalsContact C-N 3.33Å; I577-M579 PolarHBondContact O-N 3.28Å; I577-K580 PolarHBondContact O-N 2.91Å; I577-E581 PolarHBondContact O-N 3.04Å
578	L	78.4	Confident	76.2	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-37.2	177.3	-77.3	170.8	0	0	0	112.8	I522 I527 T537 G574 R575 E581 G582 L583 L584	I522-L578 HydrophobicContact CG2-CD1 3.75Å; I522-L578 HydrophobicContact CG2-CD2 3.69Å; I522-L578 HydrophobicContact CG2-CG 3.64Å; I527-L578 HydrophobicContact CB-CD1 4.33Å; I527-L578 HydrophobicContact CD1-CD1 3.84Å; I527-L578 HydrophobicContact CG2-CD1 4.25Å; T537-L578 HydrophobicContact CG2-CD2 4.41Å; G574-L578 WeakPolarHBondContact O-CB 3.45Å; G574-L578 WeakPolarHBondContact O-CG 3.31Å; G574-L578 PolarHBondContact O-N 2.93Å; R575-L578 PolarHBondContact O-N 2.93Å; L578-E581 PolarHBondContact O-N 3.43Å; L578-G582 PolarHBondContact O-N 2.75Å; L578-G582 VanDerWaalsContact O-N 3.17Å; L578-L583 HydrophobicContact CD2-CB 3.81Å; L578-L583 PolarHBondContact O-N 3.26Å; L578-L584 HydrophobicContact CB-CB 4.36Å; L578-L584 HydrophobicContact CB-CD1 3.38Å; L578-L584 HydrophobicContact CB-CG 4.46Å; L578-L584 HydrophobicContact CD1-CD1 3.56Å; L578-L584 HydrophobicContact CG-CD1 4.08Å; L578-L584 PolarHBondContact O-N 3.25Å
579	M	79.1	Confident	75.3	Confident	104 Å²	104	70.8 Å²	70.8	51%	0.512	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-46.6	173.1	-76.6	-176.7	171.6	0	0	111.1	R575 E576 I577 E581 G582 L584	R575-M579 WeakPolarHBondContact O-CG 3.48Å; R575-M579 PolarHBondContact O-N 3.26Å; E576-M579 PolarHBondContact O-N 3.43Å; I577-M579 VanDerWaalsContact C-N 3.33Å; I577-M579 PolarHBondContact O-N 3.28Å; M579-E581 PolarHBondContact O-N 2.93Å; M579-G582 PolarHBondContact O-N 3.41Å; M579-L584 HydrophobicContact CE-CD2 3.75Å; M579-L584 HydrophobicContact CG-CB 4.4Å; M579-L584 HydrophobicContact CG-CD2 3.82Å
580	K	77.9	Confident	74.3	Confident	192 Å²	192	70.5 Å²	70.5	84%	0.835	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-33.6	178.8	-172.3	179.2	178.5	-177.9	0	112.7	E576 I577	E576-K580 WeakPolarHBondContact O-CB 3.12Å; E576-K580 PolarHBondContact O-N 3.3Å; I577-K580 PolarHBondContact O-N 2.91Å
581	E	73.6	Confident	73.4	Confident	96 Å²	96	74.3 Å²	74.3	45%	0.449	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.4	177.2	-65	-168	161.4	0	0	113.6	I577 L578 M579 L583	I577-E581 PolarHBondContact O-N 3.04Å; L578-E581 PolarHBondContact O-N 3.43Å; M579-E581 PolarHBondContact O-N 2.93Å; E581-L583 HydrophobicContact CB-CD1 3.86Å; E581-L583 HydrophobicContact CB-CG 3.96Å; E581-L583 PolarHBondContact O-N 3.14Å; E581-L583 WeakPolarHBondContact OE2-CD1 3.46Å
582	G	74.4	Confident	72.5	Confident	45 Å²	45	73.7 Å²	73.7	46%	0.464	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	17.1	-177.7	0	0	0	0	0	114.2	K531 L578 M579	K531-G582 PolarHBondContact NZ-O 3.43Å; L578-G582 PolarHBondContact O-N 2.75Å; L578-G582 VanDerWaalsContact O-N 3.17Å; M579-G582 PolarHBondContact O-N 3.41Å
583	L	75.1	Confident	71.6	Confident	39 Å²	39	74 Å²	74	20%	0.204	38%	0.378	C	S	.	.			trans	-95.3	1.4	-174.5	-66.2	176.5	0	0	0	113.6	K531 M532 T537 L578 E581	K531-L583 WeakPolarHBondContact CB-O 3.49Å; K531-L583 WeakPolarHBondContact CG-O 3.44Å; K531-L583 PolarHBondContact N-O 3Å; M532-L583 HydrophobicContact CG-CD2 4.33Å; M532-L583 HydrophobicContact SD-CD1 3.59Å; M532-L583 VanDerWaalsContact SD-CD1 3.59Å; M532-L583 HydrophobicContact SD-CD2 3.74Å; M532-L583 HydrophobicContact SD-CG 4.24Å; T537-L583 HydrophobicContact CG2-CD1 3.81Å; L578-L583 HydrophobicContact CD2-CB 3.81Å; L578-L583 PolarHBondContact O-N 3.26Å; E581-L583 HydrophobicContact CB-CD1 3.86Å; E581-L583 HydrophobicContact CB-CG 3.96Å; E581-L583 PolarHBondContact O-N 3.14Å; E581-L583 WeakPolarHBondContact OE2-CD1 3.46Å
584	L	76.6	Confident	70.8	Confident	8 Å²	8	76.8 Å²	76.8	4%	0.042	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-90.8	138.9	170.2	-138.2	83.5	0	0	0	109.8	I527 K531 R575 L578 M579 V589	I527-L584 HydrophobicContact CG2-CD1 4.44Å; K531-L584 WeakPolarHBondContact CE-O 3.37Å; K531-L584 PolarHBondContact NZ-O 3.17Å; R575-L584 HydrophobicContact CG-CD1 4.49Å; L578-L584 HydrophobicContact CB-CB 4.36Å; L578-L584 HydrophobicContact CB-CD1 3.38Å; L578-L584 HydrophobicContact CB-CG 4.46Å; L578-L584 HydrophobicContact CD1-CD1 3.56Å; L578-L584 HydrophobicContact CG-CD1 4.08Å; L578-L584 PolarHBondContact O-N 3.25Å; M579-L584 HydrophobicContact CE-CD2 3.75Å; M579-L584 HydrophobicContact CG-CB 4.4Å; M579-L584 HydrophobicContact CG-CD2 3.82Å; L584-V589 HydrophobicContact CD2-CB 4.41Å; L584-V589 HydrophobicContact CD2-CG1 4.48Å; L584-V589 HydrophobicContact CD2-CG2 3.63Å; L584-V589 HydrophobicContact CG-CG2 3.9Å
585	D	73.1	Confident	70.2	Confident	55 Å²	55	80.9 Å²	80.9	29%	0.294	42%	0.419	S	S	.	.			trans	-89.5	104.9	165.8	-165	-27.3	0	0	0	109.1	G529 K531 N587 E588 V589	G529-D585 PolarHBondContact O-N 3.36Å; K531-D585 HydrophobicContact CG-CB 4.41Å; D585-N587 PolarHBondContact O-N 2.83Å; D585-N587 PolarHBondContact OD1-N 3.5Å; D585-N587 VanDerWaalsContact OD1-N 3.12Å; D585-E588 HydrophobicContact CB-CB 4.24Å; D585-E588 HydrophobicContact CB-CG 4.4Å; D585-E588 PolarHBondContact O-N 3.43Å; D585-V589 WeakPolarHBondContact O-CG2 3.45Å; D585-V589 PolarHBondContact O-N 3.41Å; D585-V589 VanDerWaalsContact O-N 3.07Å
586	E	67.9	Low	69.8	Low	148 Å²	148	80.5 Å²	80.5	69%	0.692	42%	0.423	S	S	*	.	H	α-helix	trans	-61.1	-28.8	-177.2	-64.8	-178.3	174	0	0	112.3	A590	E586-A590 VanDerWaalsContact O-CB 3.27Å; E586-A590 WeakPolarHBondContact O-CB 3.23Å; E586-A590 PolarHBondContact O-N 3.31Å
587	N	62.5	Low	69.6	Low	125 Å²	125	77.9 Å²	77.9	67%	0.668	42%	0.416	S	S	*	.	H	α-helix	trans	-74.9	-42.3	179.8	-68.8	-30.9	0	0	0	112	D585 V589 A590 T591	D585-N587 PolarHBondContact O-N 2.83Å; D585-N587 PolarHBondContact OD1-N 3.5Å; D585-N587 VanDerWaalsContact OD1-N 3.12Å; N587-V589 VanDerWaalsContact C-N 3.32Å; N587-A590 PolarHBondContact O-N 2.85Å; N587-T591 WeakPolarHBondContact O-CB 3.29Å; N587-T591 PolarHBondContact O-N 3.15Å; N587-T591 PolarHBondContact O-OG1 3.17Å
588	E	62.3	Low	69.4	Low	112 Å²	112	82.1 Å²	82.1	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.8	-75.2	-165.4	158	0	0	111.6	G529 D585 T591 S592	G529-E588 WeakPolarHBondContact CA-OE2 3.09Å; D585-E588 HydrophobicContact CB-CB 4.24Å; D585-E588 HydrophobicContact CB-CG 4.4Å; D585-E588 PolarHBondContact O-N 3.43Å; E588-T591 PolarHBondContact O-N 3.42Å; E588-S592 VanDerWaalsContact O-CB 3.27Å; E588-S592 WeakPolarHBondContact O-CB 3.3Å; E588-S592 PolarHBondContact O-N 3.02Å; E588-S592 PolarHBondContact O-OG 3.4Å
589	V	63	Low	69.3	Low	18 Å²	18	88 Å²	88	11%	0.109	46%	0.462	C	S	.	.	H	α-helix	trans	-68.3	-45.4	176.1	175.4	0	0	0	0	110.8	L584 D585 N587 T591 S592 M593	L584-V589 HydrophobicContact CD2-CB 4.41Å; L584-V589 HydrophobicContact CD2-CG1 4.48Å; L584-V589 HydrophobicContact CD2-CG2 3.63Å; L584-V589 HydrophobicContact CG-CG2 3.9Å; D585-V589 WeakPolarHBondContact O-CG2 3.45Å; D585-V589 PolarHBondContact O-N 3.41Å; D585-V589 VanDerWaalsContact O-N 3.07Å; N587-V589 VanDerWaalsContact C-N 3.32Å; V589-T591 VanDerWaalsContact C-N 3.33Å; V589-T591 PolarHBondContact O-N 3.27Å; V589-S592 WeakPolarHBondContact CA-OG 3.36Å; V589-S592 PolarHBondContact O-N 3.36Å; V589-S592 PolarHBondContact O-OG 2.85Å; V589-M593 VanDerWaalsContact O-CB 3.3Å; V589-M593 WeakPolarHBondContact O-CB 3.38Å; V589-M593 PolarHBondContact O-N 3.43Å
590	A	61.3	Low	69.2	Low	48 Å²	48	88.9 Å²	88.9	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-57.5	-46.4	173.7	0	0	0	0	0	111.5	E586 N587 S592 M593 E594	E586-A590 VanDerWaalsContact O-CB 3.27Å; E586-A590 WeakPolarHBondContact O-CB 3.23Å; E586-A590 PolarHBondContact O-N 3.31Å; N587-A590 PolarHBondContact O-N 2.85Å; A590-S592 PolarHBondContact O-N 3.16Å; A590-M593 PolarHBondContact O-N 3.28Å; A590-E594 WeakPolarHBondContact O-CB 3.06Å; A590-E594 WeakPolarHBondContact O-CG 3.5Å; A590-E594 PolarHBondContact O-N 2.94Å
591	T	61.5	Low	69.3	Low	81 Å²	81	84 Å²	84	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-42.7	176.7	-49.6	0	0	0	0	111.5	N587 E588 V589 M593 E594 V595	N587-T591 WeakPolarHBondContact O-CB 3.29Å; N587-T591 PolarHBondContact O-N 3.15Å; N587-T591 PolarHBondContact O-OG1 3.17Å; E588-T591 PolarHBondContact O-N 3.42Å; V589-T591 VanDerWaalsContact C-N 3.33Å; V589-T591 PolarHBondContact O-N 3.27Å; T591-M593 VanDerWaalsContact C-N 3.32Å; T591-M593 PolarHBondContact O-N 2.92Å; T591-E594 PolarHBondContact O-N 3.37Å; T591-V595 VanDerWaalsContact O-CG2 3.25Å; T591-V595 WeakPolarHBondContact O-CG2 3.45Å; T591-V595 PolarHBondContact O-N 3.18Å
592	S	61	Low	69.6	Low	38 Å²	38	81 Å²	81	27%	0.266	44%	0.44	S	S	.	.	H	α-helix	trans	-67.5	-33.3	178.3	76.9	0	0	0	0	112.7	E588 V589 A590 D596	E588-S592 VanDerWaalsContact O-CB 3.27Å; E588-S592 WeakPolarHBondContact O-CB 3.3Å; E588-S592 PolarHBondContact O-N 3.02Å; E588-S592 PolarHBondContact O-OG 3.4Å; V589-S592 WeakPolarHBondContact CA-OG 3.36Å; V589-S592 PolarHBondContact O-N 3.36Å; V589-S592 PolarHBondContact O-OG 2.85Å; A590-S592 PolarHBondContact O-N 3.16Å; S592-D596 WeakPolarHBondContact O-CB 3.45Å; S592-D596 PolarHBondContact O-N 3.47Å
593	M	62.2	Low	70.1	Confident	111 Å²	111	84.1 Å²	84.1	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-76.8	-36.4	179.4	-152.7	148.8	91.1	0	0	110.5	V589 A590 T591 D596 V597	V589-M593 VanDerWaalsContact O-CB 3.3Å; V589-M593 WeakPolarHBondContact O-CB 3.38Å; V589-M593 PolarHBondContact O-N 3.43Å; A590-M593 PolarHBondContact O-N 3.28Å; T591-M593 VanDerWaalsContact C-N 3.32Å; T591-M593 PolarHBondContact O-N 2.92Å; M593-D596 PolarHBondContact O-N 2.9Å; M593-V597 WeakPolarHBondContact O-CB 3.38Å; M593-V597 WeakPolarHBondContact O-CG2 3.35Å; M593-V597 PolarHBondContact O-N 3.35Å
594	E	61.2	Low	70.5	Confident	140 Å²	140	87.7 Å²	87.7	65%	0.654	46%	0.461	S	S	*	.	H	α-helix	trans	-61.8	-43.3	169.2	-77	-179.3	174.5	0	0	111.9	A590 T591 V597 Q598	A590-E594 WeakPolarHBondContact O-CB 3.06Å; A590-E594 WeakPolarHBondContact O-CG 3.5Å; A590-E594 PolarHBondContact O-N 2.94Å; T591-E594 PolarHBondContact O-N 3.37Å; E594-V597 PolarHBondContact O-N 3.42Å; E594-Q598 VanDerWaalsContact O-CB 3.3Å; E594-Q598 WeakPolarHBondContact O-CB 3.44Å; E594-Q598 PolarHBondContact O-N 3.46Å
595	V	66.5	Low	71	Confident	85 Å²	85	93 Å²	93	52%	0.515	49%	0.486	S	S	.	.	H	α-helix	trans	-66.1	-43.4	176.4	174.4	0	0	0	0	111.7	T591 V597 Q598 E599	T591-V595 VanDerWaalsContact O-CG2 3.25Å; T591-V595 WeakPolarHBondContact O-CG2 3.45Å; T591-V595 PolarHBondContact O-N 3.18Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 2.87Å; V595-Q598 PolarHBondContact O-N 3.07Å; V595-E599 WeakPolarHBondContact O-CB 3.26Å; V595-E599 PolarHBondContact O-N 2.85Å
596	D	71.3	Confident	71.7	Confident	69 Å²	69	93.8 Å²	93.8	37%	0.369	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-37.1	177.7	-168.5	67.9	0	0	0	111.8	S592 M593 K600	S592-D596 WeakPolarHBondContact O-CB 3.45Å; S592-D596 PolarHBondContact O-N 3.47Å; M593-D596 PolarHBondContact O-N 2.9Å; D596-K600 WeakPolarHBondContact O-CB 3.27Å; D596-K600 WeakPolarHBondContact O-CG 3.41Å; D596-K600 PolarHBondContact O-N 3.29Å; D596-K600 WeakPolarHBondContact OD2-CE 3.25Å; D596-K600 IonicContact OD2-NZ 3.58Å; D596-K600 PolarHBondContact OD2-NZ 2.94Å
597	V	75	Confident	72.7	Confident	76 Å²	76	91.4 Å²	91.4	46%	0.461	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-43	173.8	170	0	0	0	0	110.8	M593 E594 V595 K600 L601	M593-V597 WeakPolarHBondContact O-CB 3.38Å; M593-V597 WeakPolarHBondContact O-CG2 3.35Å; M593-V597 PolarHBondContact O-N 3.35Å; E594-V597 PolarHBondContact O-N 3.42Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 2.87Å; V597-K600 PolarHBondContact O-N 3.19Å; V597-L601 HydrophobicContact CG1-CD1 3.91Å; V597-L601 HydrophobicContact CG1-CG 4.44Å; V597-L601 WeakPolarHBondContact O-CB 3.41Å; V597-L601 VanDerWaalsContact O-CG 3.3Å; V597-L601 WeakPolarHBondContact O-CG 3.22Å; V597-L601 PolarHBondContact O-N 3.43Å
598	Q	73.5	Confident	73.9	Confident	135 Å²	135	90.1 Å²	90.1	63%	0.631	48%	0.476	S	S	*	.	H	α-helix	trans	-65.6	-38.9	178.1	-164.5	71.3	0.5	0	0	112	E594 V595 L601 G602	E594-Q598 VanDerWaalsContact O-CB 3.3Å; E594-Q598 WeakPolarHBondContact O-CB 3.44Å; E594-Q598 PolarHBondContact O-N 3.46Å; V595-Q598 PolarHBondContact O-N 3.07Å; Q598-L601 PolarHBondContact O-N 2.95Å; Q598-G602 PolarHBondContact O-N 3.29Å
599	E	76.8	Confident	75.2	Confident	122 Å²	122	90.2 Å²	90.2	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-67.7	-41.3	176.5	-167.9	174.2	-175.4	0	0	111.5	V595 G602 Q603	V595-E599 WeakPolarHBondContact O-CB 3.26Å; V595-E599 PolarHBondContact O-N 2.85Å; E599-G602 PolarHBondContact O-N 3.13Å; E599-Q603 PolarHBondContact O-N 3.19Å
600	K	77.3	Confident	76.4	Confident	123 Å²	123	92.4 Å²	92.4	54%	0.535	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-38.3	172.7	-77	177.3	179.8	151.2	0	112.8	D596 V597 Q603 L604	D596-K600 WeakPolarHBondContact O-CB 3.27Å; D596-K600 WeakPolarHBondContact O-CG 3.41Å; D596-K600 PolarHBondContact O-N 3.29Å; D596-K600 WeakPolarHBondContact OD2-CE 3.25Å; D596-K600 IonicContact OD2-NZ 3.58Å; D596-K600 PolarHBondContact OD2-NZ 2.94Å; V597-K600 PolarHBondContact O-N 3.19Å; K600-Q603 PolarHBondContact O-N 2.97Å; K600-L604 WeakPolarHBondContact O-CB 3.39Å; K600-L604 PolarHBondContact O-N 3.46Å
601	L	79.9	Confident	77.8	Confident	91 Å²	91	94.8 Å²	94.8	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-42.7	173.1	-78.2	168.2	0	0	0	111	V597 Q598 L604 E605	V597-L601 HydrophobicContact CG1-CD1 3.91Å; V597-L601 HydrophobicContact CG1-CG 4.44Å; V597-L601 WeakPolarHBondContact O-CB 3.41Å; V597-L601 VanDerWaalsContact O-CG 3.3Å; V597-L601 WeakPolarHBondContact O-CG 3.22Å; V597-L601 PolarHBondContact O-N 3.43Å; Q598-L601 PolarHBondContact O-N 2.95Å; L601-L604 PolarHBondContact O-N 3.32Å; L601-E605 WeakPolarHBondContact O-CB 3.16Å; L601-E605 PolarHBondContact O-N 3.05Å
602	G	79.8	Confident	79.1	Confident	31 Å²	31	98.6 Å²	98.6	32%	0.32	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-39.8	174.9	0	0	0	0	0	113.4	Q598 E599 E605 T606	Q598-G602 PolarHBondContact O-N 3.29Å; E599-G602 PolarHBondContact O-N 3.13Å; G602-E605 PolarHBondContact O-N 3.41Å; G602-T606 PolarHBondContact O-N 2.83Å; G602-T606 PolarHBondContact O-OG1 2.58Å
603	Q	83.4	Confident	80.3	Confident	112 Å²	112	101.3 Å²	101.3	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-39	172.2	-81.7	-175.8	-2	0	0	112.2	E599 K600 T606 N607	E599-Q603 PolarHBondContact O-N 3.19Å; K600-Q603 PolarHBondContact O-N 2.97Å; Q603-T606 WeakPolarHBondContact CA-OG1 3.13Å; Q603-T606 PolarHBondContact O-OG1 3.44Å; Q603-N607 VanDerWaalsContact O-CB 3.3Å; Q603-N607 WeakPolarHBondContact O-CB 3.39Å; Q603-N607 PolarHBondContact O-N 2.87Å; Q603-N607 PolarHBondContact O-ND2 3.04Å; Q603-N607 VanDerWaalsContact O-ND2 3.13Å
604	L	85	Confident	81.7	Confident	114 Å²	114	104.4 Å²	104.4	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-66.7	-41	176.2	-175	63.9	0	0	0	111.1	K600 L601 N607 M608	K600-L604 WeakPolarHBondContact O-CB 3.39Å; K600-L604 PolarHBondContact O-N 3.46Å; L601-L604 PolarHBondContact O-N 3.32Å; L604-N607 PolarHBondContact O-N 3.23Å; L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.38Å
605	E	87.4	Confident	83	Confident	119 Å²	119	104.1 Å²	104.1	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-47.7	177.1	-172.2	168.5	-155.8	0	0	111.4	L601 G602 N607 M608 E609	L601-E605 WeakPolarHBondContact O-CB 3.16Å; L601-E605 PolarHBondContact O-N 3.05Å; G602-E605 PolarHBondContact O-N 3.41Å; E605-N607 PolarHBondContact O-N 3.42Å; E605-M608 CarbonylContact O-C 3.56Å; E605-M608 WeakPolarHBondContact O-CA 3.47Å; E605-M608 WeakPolarHBondContact O-CB 3.35Å; E605-M608 PolarHBondContact O-N 3.05Å; E605-M608 VanDerWaalsContact O-N 3.11Å; E605-E609 WeakPolarHBondContact O-CG 3.23Å; E605-E609 PolarHBondContact O-N 3.24Å
606	T	87	Confident	84	Confident	71 Å²	71	102.1 Å²	102.1	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.5	29.7	0	0	0	0	112.5	G602 Q603 M608 E609 T610	G602-T606 PolarHBondContact O-N 2.83Å; G602-T606 PolarHBondContact O-OG1 2.58Å; Q603-T606 WeakPolarHBondContact CA-OG1 3.13Å; Q603-T606 PolarHBondContact O-OG1 3.44Å; T606-M608 VanDerWaalsContact C-N 3.29Å; T606-M608 PolarHBondContact O-N 2.93Å; T606-E609 PolarHBondContact O-N 3.07Å; T606-T610 WeakPolarHBondContact O-CB 3.46Å; T606-T610 PolarHBondContact O-N 3.27Å; T606-T610 PolarHBondContact O-OG1 3.35Å
607	N	88.9	Confident	84.9	Confident	98 Å²	98	107.3 Å²	107.3	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-38.2	173.4	-75.7	-28	0	0	0	111.7	Q603 L604 E605 T610 L611	Q603-N607 VanDerWaalsContact O-CB 3.3Å; Q603-N607 WeakPolarHBondContact O-CB 3.39Å; Q603-N607 PolarHBondContact O-N 2.87Å; Q603-N607 PolarHBondContact O-ND2 3.04Å; Q603-N607 VanDerWaalsContact O-ND2 3.13Å; L604-N607 PolarHBondContact O-N 3.23Å; E605-N607 PolarHBondContact O-N 3.42Å; N607-T610 PolarHBondContact O-N 3.24Å; N607-L611 WeakPolarHBondContact O-CG 3.36Å; N607-L611 PolarHBondContact O-N 2.76Å
608	M	87.9	Confident	85.6	Confident	98 Å²	98	109 Å²	109	48%	0.483	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-43.8	176.3	-164.3	174.5	80.4	0	0	111.3	L604 E605 T606 T610 L611 Y612	L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.38Å; E605-M608 CarbonylContact O-C 3.56Å; E605-M608 WeakPolarHBondContact O-CA 3.47Å; E605-M608 WeakPolarHBondContact O-CB 3.35Å; E605-M608 PolarHBondContact O-N 3.05Å; E605-M608 VanDerWaalsContact O-N 3.11Å; T606-M608 VanDerWaalsContact C-N 3.29Å; T606-M608 PolarHBondContact O-N 2.93Å; M608-T610 VanDerWaalsContact C-N 3.3Å; M608-T610 PolarHBondContact O-N 3.38Å; M608-L611 WeakPolarHBondContact O-CB 3.28Å; M608-L611 PolarHBondContact O-N 3Å; M608-Y612 HydrophobicContact CE-CE2 3.89Å; M608-Y612 HydrophobicContact CG-CD2 3.86Å; M608-Y612 HydrophobicContact CG-CE2 3.65Å; M608-Y612 WeakPolarHBondContact O-CD2 3.4Å; M608-Y612 PolarHBondContact O-N 2.9Å; M608-Y612 HydrophobicContact SD-CE2 4.07Å
609	E	89.4	Confident	86.4	Confident	114 Å²	114	108 Å²	108	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-60.4	-39.6	173	-73.3	-174.6	157.1	0	0	112.2	E605 T606 L611 Y612 T613	E605-E609 WeakPolarHBondContact O-CG 3.23Å; E605-E609 PolarHBondContact O-N 3.24Å; T606-E609 PolarHBondContact O-N 3.07Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.33Å; E609-Y612 PolarHBondContact O-N 3.46Å; E609-T613 PolarHBondContact O-N 3.03Å; E609-T613 PolarHBondContact O-OG1 2.97Å
610	T	89.2	Confident	86.9	Confident	65 Å²	65	105.1 Å²	105.1	40%	0.399	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-37.5	176.1	-45.9	0	0	0	0	111.3	T606 N607 M608 T613 R614	T606-T610 WeakPolarHBondContact O-CB 3.46Å; T606-T610 PolarHBondContact O-N 3.27Å; T606-T610 PolarHBondContact O-OG1 3.35Å; N607-T610 PolarHBondContact O-N 3.24Å; M608-T610 VanDerWaalsContact C-N 3.3Å; M608-T610 PolarHBondContact O-N 3.38Å; T610-T613 VanDerWaalsContact CA-OG1 3.32Å; T610-T613 WeakPolarHBondContact CA-OG1 3.36Å; T610-T613 PolarHBondContact O-OG1 3.28Å; T610-R614 WeakPolarHBondContact O-CB 3.5Å; T610-R614 WeakPolarHBondContact O-CG 3.36Å; T610-R614 PolarHBondContact O-N 3.49Å; T610-R614 VanDerWaalsContact O-N 3.09Å
611	L	89.7	Confident	87.5	Confident	98 Å²	98	104.6 Å²	104.6	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-68	-43.4	172.8	-80.3	165	0	0	0	111.6	N607 M608 E609 T613 R614 F615	N607-L611 WeakPolarHBondContact O-CG 3.36Å; N607-L611 PolarHBondContact O-N 2.76Å; M608-L611 WeakPolarHBondContact O-CB 3.28Å; M608-L611 PolarHBondContact O-N 3Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.33Å; L611-T613 PolarHBondContact O-N 3.39Å; L611-R614 PolarHBondContact O-N 3.45Å; L611-F615 WeakPolarHBondContact O-CB 3.41Å; L611-F615 WeakPolarHBondContact O-CD2 3.5Å; L611-F615 PolarHBondContact O-N 2.89Å
612	Y	88.1	Confident	87.9	Confident	161 Å²	161	107.1 Å²	107.1	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-43.4	176.6	-89.7	-68.4	0	0	0	112.3	M608 E609 F615 G616	M608-Y612 HydrophobicContact CE-CE2 3.89Å; M608-Y612 HydrophobicContact CG-CD2 3.86Å; M608-Y612 HydrophobicContact CG-CE2 3.65Å; M608-Y612 WeakPolarHBondContact O-CD2 3.4Å; M608-Y612 PolarHBondContact O-N 2.9Å; M608-Y612 HydrophobicContact SD-CE2 4.07Å; E609-Y612 PolarHBondContact O-N 3.46Å; Y612-F615 PolarHBondContact O-N 3.41Å; Y612-G616 PolarHBondContact O-N 3.16Å
613	T	87.6	Confident	88.4	Confident	94 Å²	94	108.8 Å²	108.8	58%	0.577	54%	0.539	S	S	*	.	H	α-helix	trans	-65.6	-40.7	176.1	40.1	0	0	0	0	112.1	E609 T610 L611 G616 R617	E609-T613 PolarHBondContact O-N 3.03Å; E609-T613 PolarHBondContact O-OG1 2.97Å; T610-T613 VanDerWaalsContact CA-OG1 3.32Å; T610-T613 WeakPolarHBondContact CA-OG1 3.36Å; T610-T613 PolarHBondContact O-OG1 3.28Å; L611-T613 PolarHBondContact O-N 3.39Å; T613-G616 PolarHBondContact O-N 2.87Å; T613-R617 PolarHBondContact O-N 3.34Å
614	R	89.9	Confident	88.6	Confident	177 Å²	177	104.7 Å²	104.7	67%	0.668	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-43.4	172.5	-76	180	-177.2	-169.3	3.1	112.2	T610 L611 R617 L618	T610-R614 WeakPolarHBondContact O-CB 3.5Å; T610-R614 WeakPolarHBondContact O-CG 3.36Å; T610-R614 PolarHBondContact O-N 3.49Å; T610-R614 VanDerWaalsContact O-N 3.09Å; L611-R614 PolarHBondContact O-N 3.45Å; R614-R617 PolarHBondContact O-N 3.47Å; R614-L618 WeakPolarHBondContact O-CB 3.26Å; R614-L618 PolarHBondContact O-N 3.42Å
615	F	88.7	Confident	88.6	Confident	133 Å²	133	101.9 Å²	101.9	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-44	175.5	-101.1	-76.6	0	0	0	111.9	L611 Y612 R617 L618 L619	L611-F615 WeakPolarHBondContact O-CB 3.41Å; L611-F615 WeakPolarHBondContact O-CD2 3.5Å; L611-F615 PolarHBondContact O-N 2.89Å; Y612-F615 PolarHBondContact O-N 3.41Å; F615-R617 VanDerWaalsContact C-N 3.33Å; F615-R617 PolarHBondContact O-N 3.4Å; F615-L618 PolarHBondContact O-N 3.07Å; F615-L619 WeakPolarHBondContact O-CB 3.38Å; F615-L619 PolarHBondContact O-N 2.95Å
616	G	88.5	Confident	88.8	Confident	44 Å²	44	99.8 Å²	99.8	45%	0.454	51%	0.511	S	S	.	.	H	α-helix	trans	-59.7	-42.6	176.1	0	0	0	0	0	112.2	Y612 T613 L619 A620	Y612-G616 PolarHBondContact O-N 3.16Å; T613-G616 PolarHBondContact O-N 2.87Å; G616-L619 PolarHBondContact O-N 2.94Å; G616-A620 PolarHBondContact O-N 2.91Å
617	R	89.1	Confident	88.7	Confident	178 Å²	178	102.6 Å²	102.6	67%	0.672	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-43.4	174	-177.7	176.9	157.7	175.5	-6.2	112.2	T613 R614 F615 L619 A620 E621	T613-R617 PolarHBondContact O-N 3.34Å; R614-R617 PolarHBondContact O-N 3.47Å; F615-R617 VanDerWaalsContact C-N 3.33Å; F615-R617 PolarHBondContact O-N 3.4Å; R617-L619 VanDerWaalsContact C-N 3.31Å; R617-L619 PolarHBondContact O-N 3.48Å; R617-A620 WeakPolarHBondContact O-CB 3.39Å; R617-A620 PolarHBondContact O-N 3.5Å; R617-E621 IonicContact CZ-OE1 2.67Å; R617-E621 IonicContact NE-OE1 3.91Å; R617-E621 PolarHBondContact NE-OE1 3.33Å; R617-E621 IonicContact NH2-OE1 3.79Å; R617-E621 PolarHBondContact O-N 3.27Å
618	L	90.9	Very high	88.7	Confident	112 Å²	112	104.7 Å²	104.7	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-36	178.3	-160	123.3	0	0	0	111.8	R614 F615 E621 Y622	R614-L618 WeakPolarHBondContact O-CB 3.26Å; R614-L618 PolarHBondContact O-N 3.42Å; F615-L618 PolarHBondContact O-N 3.07Å; L618-E621 PolarHBondContact O-N 2.92Å; L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.46Å
619	L	90.8	Very high	88.6	Confident	114 Å²	114	104.5 Å²	104.5	60%	0.597	52%	0.524	S	S	*	.	H	α-helix	trans	-67.5	-39	174.8	-143.7	108.7	0	0	0	111.8	F615 G616 R617 Y622 T623	F615-L619 WeakPolarHBondContact O-CB 3.38Å; F615-L619 PolarHBondContact O-N 2.95Å; G616-L619 PolarHBondContact O-N 2.94Å; R617-L619 VanDerWaalsContact C-N 3.31Å; R617-L619 PolarHBondContact O-N 3.48Å; L619-Y622 PolarHBondContact O-N 2.85Å; L619-T623 WeakPolarHBondContact O-CB 3.33Å; L619-T623 WeakPolarHBondContact O-CG2 3.12Å; L619-T623 PolarHBondContact O-N 3.2Å; L619-T623 PolarHBondContact O-OG1 2.71Å
620	A	87.4	Confident	88.5	Confident	61 Å²	61	105.4 Å²	105.4	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-41.8	173.8	0	0	0	0	0	112.1	G616 R617 T623 G624	G616-A620 PolarHBondContact O-N 2.91Å; R617-A620 WeakPolarHBondContact O-CB 3.39Å; R617-A620 PolarHBondContact O-N 3.5Å; A620-T623 WeakPolarHBondContact CA-OG1 3.28Å; A620-T623 PolarHBondContact O-OG1 2.71Å; A620-G624 PolarHBondContact O-N 2.99Å
621	E	88.5	Confident	88.3	Confident	111 Å²	111	108.2 Å²	108.2	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-42.3	173.7	-73.8	178.9	-164.3	0	0	111.4	R617 L618 G624 A625	R617-E621 IonicContact CZ-OE1 2.67Å; R617-E621 IonicContact NE-OE1 3.91Å; R617-E621 PolarHBondContact NE-OE1 3.33Å; R617-E621 IonicContact NH2-OE1 3.79Å; R617-E621 PolarHBondContact O-N 3.27Å; L618-E621 PolarHBondContact O-N 2.92Å; E621-G624 PolarHBondContact O-N 3.06Å; E621-A625 WeakPolarHBondContact O-CB 3.32Å; E621-A625 PolarHBondContact O-N 3.02Å
622	Y	89.8	Confident	88.1	Confident	145 Å²	145	112 Å²	112	57%	0.569	54%	0.542	S	S	*	.	H	α-helix	trans	-63.3	-46.4	176.8	178.8	-102.5	0	0	0	112.6	L618 L619 A625 Q626	L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.46Å; L619-Y622 PolarHBondContact O-N 2.85Å; Y622-A625 PolarHBondContact O-N 3.04Å; Y622-Q626 HydrophobicContact CE1-CG 4.04Å; Y622-Q626 WeakPolarHBondContact O-CB 3.38Å; Y622-Q626 PolarHBondContact O-N 3.13Å
623	T	88.7	Confident	87.9	Confident	66 Å²	66	108.2 Å²	108.2	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-40	177.3	46.9	0	0	0	0	111.8	L619 A620 A625 Q626 Q627	L619-T623 WeakPolarHBondContact O-CB 3.33Å; L619-T623 WeakPolarHBondContact O-CG2 3.12Å; L619-T623 PolarHBondContact O-N 3.2Å; L619-T623 PolarHBondContact O-OG1 2.71Å; A620-T623 WeakPolarHBondContact CA-OG1 3.28Å; A620-T623 PolarHBondContact O-OG1 2.71Å; T623-A625 VanDerWaalsContact C-N 3.34Å; T623-A625 PolarHBondContact O-N 3.16Å; T623-Q626 PolarHBondContact O-N 3.48Å; T623-Q627 WeakPolarHBondContact O-CG 3.24Å; T623-Q627 PolarHBondContact O-N 2.87Å
624	G	88.1	Confident	87.8	Confident	25 Å²	25	107.5 Å²	107.5	26%	0.258	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-40.2	172.4	0	0	0	0	0	112.6	A620 E621 K628	A620-G624 PolarHBondContact O-N 2.99Å; E621-G624 PolarHBondContact O-N 3.06Å; G624-K628 WeakPolarHBondContact O-CG 3.49Å; G624-K628 PolarHBondContact O-N 3.45Å
625	A	85.6	Confident	87.5	Confident	56 Å²	56	103.7 Å²	103.7	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-44.2	174.5	0	0	0	0	0	112.2	E621 Y622 T623 Q627 K628 L629	E621-A625 WeakPolarHBondContact O-CB 3.32Å; E621-A625 PolarHBondContact O-N 3.02Å; Y622-A625 PolarHBondContact O-N 3.04Å; T623-A625 VanDerWaalsContact C-N 3.34Å; T623-A625 PolarHBondContact O-N 3.16Å; A625-Q627 PolarHBondContact O-N 3.03Å; A625-K628 PolarHBondContact O-N 3.34Å; A625-L629 WeakPolarHBondContact O-CB 3.37Å; A625-L629 PolarHBondContact O-N 3.42Å
626	Q	90.7	Very high	87.1	Confident	75 Å²	75	102.7 Å²	102.7	35%	0.35	52%	0.519	S	S	.	.	H	α-helix	trans	-58.7	-44.7	174.1	-95.3	-83.9	-40.6	0	0	112.2	Y622 T623 L629 K630	Y622-Q626 HydrophobicContact CE1-CG 4.04Å; Y622-Q626 WeakPolarHBondContact O-CB 3.38Å; Y622-Q626 PolarHBondContact O-N 3.13Å; T623-Q626 PolarHBondContact O-N 3.48Å; Q626-L629 PolarHBondContact O-N 3.24Å; Q626-K630 WeakPolarHBondContact O-CG 3.31Å; Q626-K630 PolarHBondContact O-N 3.39Å
627	Q	85.8	Confident	86.6	Confident	130 Å²	130	106.1 Å²	106.1	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-63.9	-44.8	176.9	-77.5	-179.5	-16.9	0	0	112	T623 A625 L629 K630 Q631	T623-Q627 WeakPolarHBondContact O-CG 3.24Å; T623-Q627 PolarHBondContact O-N 2.87Å; A625-Q627 PolarHBondContact O-N 3.03Å; Q627-L629 VanDerWaalsContact C-N 3.29Å; Q627-L629 PolarHBondContact O-N 2.95Å; Q627-K630 PolarHBondContact O-N 2.96Å; Q627-Q631 WeakPolarHBondContact O-CG 3.43Å; Q627-Q631 PolarHBondContact O-N 3.41Å
628	K	87.6	Confident	86	Confident	142 Å²	142	101.3 Å²	101.3	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-60.4	-39.6	174.5	-76.3	177.6	-179.8	176.9	0	111.8	G624 A625 Q631 R632	G624-K628 WeakPolarHBondContact O-CG 3.49Å; G624-K628 PolarHBondContact O-N 3.45Å; A625-K628 PolarHBondContact O-N 3.34Å; K628-Q631 PolarHBondContact O-N 3.39Å; K628-R632 WeakPolarHBondContact O-CG 3.37Å; K628-R632 PolarHBondContact O-N 3.46Å
629	L	87.4	Confident	85.2	Confident	94 Å²	94	102.3 Å²	102.3	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-45.7	176.8	-166.9	72.8	0	0	0	111.2	A625 Q626 Q627 Q631 R632 I633	A625-L629 WeakPolarHBondContact O-CB 3.37Å; A625-L629 PolarHBondContact O-N 3.42Å; Q626-L629 PolarHBondContact O-N 3.24Å; Q627-L629 VanDerWaalsContact C-N 3.29Å; Q627-L629 PolarHBondContact O-N 2.95Å; L629-Q631 PolarHBondContact O-N 3.24Å; L629-R632 WeakPolarHBondContact O-CB 3.44Å; L629-R632 PolarHBondContact O-N 3.46Å; L629-I633 HydrophobicContact CG-CD1 4.36Å; L629-I633 WeakPolarHBondContact O-CG1 3.29Å; L629-I633 PolarHBondContact O-N 2.98Å
630	K	86.3	Confident	84.2	Confident	132 Å²	132	103.8 Å²	103.8	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-60	-45.6	174.9	-75.7	-175.5	179.4	-174.7	0	112	Q626 Q627 R632 I633 T634	Q626-K630 WeakPolarHBondContact O-CG 3.31Å; Q626-K630 PolarHBondContact O-N 3.39Å; Q627-K630 PolarHBondContact O-N 2.96Å; K630-R632 VanDerWaalsContact C-N 3.31Å; K630-R632 PolarHBondContact O-N 2.85Å; K630-I633 PolarHBondContact O-N 3.05Å; K630-I633 VanDerWaalsContact O-N 3.16Å; K630-T634 PolarHBondContact O-N 3.11Å; K630-T634 PolarHBondContact O-OG1 3.44Å
631	Q	85.4	Confident	83.2	Confident	124 Å²	124	108.2 Å²	108.2	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-58.8	-42.1	175.3	-75.1	177.8	-14.9	0	0	111.9	Q627 K628 L629 T634 I635	Q627-Q631 WeakPolarHBondContact O-CG 3.43Å; Q627-Q631 PolarHBondContact O-N 3.41Å; K628-Q631 PolarHBondContact O-N 3.39Å; L629-Q631 PolarHBondContact O-N 3.24Å; Q631-T634 PolarHBondContact O-N 3.37Å; Q631-I635 VanDerWaalsContact O-CG1 3.24Å; Q631-I635 WeakPolarHBondContact O-CG1 3.41Å; Q631-I635 PolarHBondContact O-N 3.23Å
632	R	85	Confident	81.9	Confident	177 Å²	177	108.9 Å²	108.9	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-41.7	175	-75.8	178.6	177.9	-171.1	-1	112.4	K628 L629 K630 I635 L636	K628-R632 WeakPolarHBondContact O-CG 3.37Å; K628-R632 PolarHBondContact O-N 3.46Å; L629-R632 WeakPolarHBondContact O-CB 3.44Å; L629-R632 PolarHBondContact O-N 3.46Å; K630-R632 VanDerWaalsContact C-N 3.31Å; K630-R632 PolarHBondContact O-N 2.85Å; R632-I635 PolarHBondContact O-N 2.88Å; R632-L636 WeakPolarHBondContact O-CB 3.27Å; R632-L636 WeakPolarHBondContact O-CG 3.48Å; R632-L636 PolarHBondContact O-N 2.88Å
633	I	84.4	Confident	80.4	Confident	82 Å²	82	107.2 Å²	107.2	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-46.2	175.4	-67.9	166.9	0	0	0	110.3	L629 K630 I635 L636 E637	L629-I633 HydrophobicContact CG-CD1 4.36Å; L629-I633 WeakPolarHBondContact O-CG1 3.29Å; L629-I633 PolarHBondContact O-N 2.98Å; K630-I633 PolarHBondContact O-N 3.05Å; K630-I633 VanDerWaalsContact O-N 3.16Å; I633-I635 VanDerWaalsContact C-N 3.34Å; I633-I635 PolarHBondContact O-N 3.11Å; I633-L636 CarbonylContact O-C 3.31Å; I633-L636 WeakPolarHBondContact O-CB 3.45Å; I633-L636 PolarHBondContact O-N 2.79Å; I633-L636 VanDerWaalsContact O-N 3.12Å; I633-E637 HydrophobicContact CG2-CG 4.37Å; I633-E637 WeakPolarHBondContact O-CG 3.43Å; I633-E637 PolarHBondContact O-N 2.9Å
634	T	85.3	Confident	78.7	Confident	79 Å²	79	109.1 Å²	109.1	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-39.5	178.2	-52.9	0	0	0	0	112.4	K630 Q631 E637 T638	K630-T634 PolarHBondContact O-N 3.11Å; K630-T634 PolarHBondContact O-OG1 3.44Å; Q631-T634 PolarHBondContact O-N 3.37Å; T634-E637 PolarHBondContact O-N 3.16Å; T634-T638 PolarHBondContact O-N 3.49Å; T634-T638 PolarHBondContact O-OG1 2.66Å
635	I	83.8	Confident	77	Confident	97 Å²	97	115.1 Å²	115.1	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-40.5	174.1	-68.9	165.1	0	0	0	110.9	Q631 R632 I633 T638 K639	Q631-I635 VanDerWaalsContact O-CG1 3.24Å; Q631-I635 WeakPolarHBondContact O-CG1 3.41Å; Q631-I635 PolarHBondContact O-N 3.23Å; R632-I635 PolarHBondContact O-N 2.88Å; I633-I635 VanDerWaalsContact C-N 3.34Å; I633-I635 PolarHBondContact O-N 3.11Å; I635-T638 WeakPolarHBondContact CA-OG1 3.3Å; I635-T638 PolarHBondContact O-N 2.97Å; I635-T638 PolarHBondContact O-OG1 3.06Å; I635-K639 PolarHBondContact O-N 2.91Å
636	L	79.4	Confident	75.3	Confident	112 Å²	112	117.9 Å²	117.9	59%	0.586	57%	0.567	S	S	*	*	H	α-helix	trans	-65.5	-41.2	175.1	-81.5	161.3	0	0	0	111.8	R632 I633 K639 M640	R632-L636 WeakPolarHBondContact O-CB 3.27Å; R632-L636 WeakPolarHBondContact O-CG 3.48Å; R632-L636 PolarHBondContact O-N 2.88Å; I633-L636 CarbonylContact O-C 3.31Å; I633-L636 WeakPolarHBondContact O-CB 3.45Å; I633-L636 PolarHBondContact O-N 2.79Å; I633-L636 VanDerWaalsContact O-N 3.12Å; L636-K639 PolarHBondContact O-N 3.23Å; L636-M640 WeakPolarHBondContact O-CB 3.44Å; L636-M640 PolarHBondContact O-N 2.73Å
637	E	79.8	Confident	73.3	Confident	116 Å²	116	120.3 Å²	120.3	54%	0.542	58%	0.583	S	S	.	*	H	α-helix	trans	-64.7	-38.6	175.8	-76.2	177.4	168.3	0	0	112.3	I633 T634 M640 K641	I633-E637 HydrophobicContact CG2-CG 4.37Å; I633-E637 WeakPolarHBondContact O-CG 3.43Å; I633-E637 PolarHBondContact O-N 2.9Å; T634-E637 PolarHBondContact O-N 3.16Å; E637-M640 PolarHBondContact O-N 3.25Å; E637-K641 WeakPolarHBondContact O-CG 3.08Å; E637-K641 PolarHBondContact O-N 3.5Å
638	T	75.6	Confident	71.4	Confident	77 Å²	77	124.1 Å²	124.1	47%	0.472	59%	0.593	S	S	.	*	H	α-helix	trans	-68.7	-40.5	174.9	21.4	0	0	0	0	111.8	T634 I635 K641 Q642	T634-T638 PolarHBondContact O-N 3.49Å; T634-T638 PolarHBondContact O-OG1 2.66Å; I635-T638 WeakPolarHBondContact CA-OG1 3.3Å; I635-T638 PolarHBondContact O-N 2.97Å; I635-T638 PolarHBondContact O-OG1 3.06Å; T638-K641 PolarHBondContact O-N 3.01Å; T638-Q642 PolarHBondContact O-N 3.17Å
639	K	74.4	Confident	69.3	Low	133 Å²	133	125 Å²	125	58%	0.578	60%	0.603	S	S	*	*	H	α-helix	trans	-63.5	-39.2	171.6	-80.4	-173	173.9	-172	0	112.6	I635 L636 Q642 N643	I635-K639 PolarHBondContact O-N 2.91Å; L636-K639 PolarHBondContact O-N 3.23Å; K639-Q642 PolarHBondContact O-N 3.23Å; K639-N643 PolarHBondContact O-N 2.92Å
640	M	68.6	Low	66.9	Low	145 Å²	145	125.2 Å²	125.2	71%	0.714	61%	0.613	S	S	*	*	H	α-helix	trans	-65.8	-38.1	174.9	-100.7	-165.8	146.6	0	0	112.2	L636 E637 N643 N644	L636-M640 WeakPolarHBondContact O-CB 3.44Å; L636-M640 PolarHBondContact O-N 2.73Å; E637-M640 PolarHBondContact O-N 3.25Å; M640-N643 PolarHBondContact O-N 2.96Å; M640-N644 WeakPolarHBondContact O-CB 3.4Å; M640-N644 PolarHBondContact O-N 3.03Å
641	K	66.9	Low	64.6	Low	154 Å²	154	127.4 Å²	127.4	67%	0.67	63%	0.631	S	S	*	*	H	α-helix	trans	-66	-39.7	174.3	-80.3	-176.9	176.4	-178.1	0	112.5	E637 T638 N644 E645	E637-K641 WeakPolarHBondContact O-CG 3.08Å; E637-K641 PolarHBondContact O-N 3.5Å; T638-K641 PolarHBondContact O-N 3.01Å; K641-N644 PolarHBondContact O-N 2.64Å; K641-E645 PolarHBondContact O-N 3.01Å
642	Q	61.5	Low	62.1	Low	125 Å²	125	124.7 Å²	124.7	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-63.6	-45.2	172.5	-78.6	-177.3	-37.6	0	0	111.7	T638 K639 N644 E645 D646	T638-Q642 PolarHBondContact O-N 3.17Å; K639-Q642 PolarHBondContact O-N 3.23Å; Q642-N644 VanDerWaalsContact C-N 3.31Å; Q642-N644 PolarHBondContact O-N 2.9Å; Q642-E645 PolarHBondContact O-N 2.99Å; Q642-E645 VanDerWaalsContact O-N 3.15Å; Q642-D646 PolarHBondContact O-N 3.17Å
643	N	57.3	Low	59.6	Low	110 Å²	110	124.9 Å²	124.9	59%	0.588	65%	0.647	S	S	*	*	H	α-helix	trans	-62.1	-35.3	174.6	-92.5	36.3	0	0	0	113	K639 M640 E645 D646 D647	K639-N643 PolarHBondContact O-N 2.92Å; M640-N643 PolarHBondContact O-N 2.96Å; N643-E645 VanDerWaalsContact C-N 3.34Å; N643-D646 PolarHBondContact O-N 3.03Å; N643-D647 WeakPolarHBondContact O-CB 3.47Å; N643-D647 PolarHBondContact O-N 3.18Å
644	N	54.6	Low	57.3	Low	107 Å²	107	125.3 Å²	125.3	57%	0.572	66%	0.657	S	S	*	*	H	α-helix	trans	-72.3	-24.8	175.8	-105.5	4.4	0	0	0	113.3	M640 K641 Q642	M640-N644 WeakPolarHBondContact O-CB 3.4Å; M640-N644 PolarHBondContact O-N 3.03Å; K641-N644 PolarHBondContact O-N 2.64Å; Q642-N644 VanDerWaalsContact C-N 3.31Å; Q642-N644 PolarHBondContact O-N 2.9Å
645	E	51.5	Low	54.9	Low	150 Å²	150	127 Å²	127	70%	0.701	67%	0.672	S	S	*	*	H	α-helix	trans	-77.4	-31.3	170.7	-77.2	-176.7	163.3	0	0	111.4	K641 Q642 N643	K641-E645 PolarHBondContact O-N 3.01Å; Q642-E645 PolarHBondContact O-N 2.99Å; Q642-E645 VanDerWaalsContact O-N 3.15Å; N643-E645 VanDerWaalsContact C-N 3.34Å
646	D	50.8	Low	53.4	Low	114 Å²	114	127.7 Å²	127.7	61%	0.61	68%	0.683	S	S	*	*	H	α-helix	trans	-75.9	-28.5	173.8	-71.2	-29.1	0	0	0	113	Q642 N643 Y648 L649	Q642-D646 PolarHBondContact O-N 3.17Å; N643-D646 PolarHBondContact O-N 3.03Å; D646-Y648 VanDerWaalsContact C-N 3.27Å; D646-Y648 PolarHBondContact O-N 3.24Å; D646-L649 PolarHBondContact O-N 3.1Å
647	D	47.6	Very low	51.2	Low	126 Å²	126	131 Å²	131	67%	0.674	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-5.4	178.5	-108.1	-6.2	0	0	0	114.5	N643	N643-D647 WeakPolarHBondContact O-CB 3.47Å; N643-D647 PolarHBondContact O-N 3.18Å
648	Y	45.4	Very low	49	Very low	211 Å²	211	133.4 Å²	133.4	83%	0.827	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-4.2	170.7	-94.5	-88.1	0	0	0	113.8	D646	D646-Y648 VanDerWaalsContact C-N 3.27Å; D646-Y648 PolarHBondContact O-N 3.24Å
649	L	43.4	Very low	47.4	Very low	159 Å²	159	134.6 Å²	134.6	83%	0.832	72%	0.723	S	S	*	*	S	Bend	trans	-118.7	18.3	-175.1	-82.1	173.1	0	0	0	115.5	D646	D646-L649 PolarHBondContact O-N 3.1Å
650	S	38.4	Very low	45.8	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	73%	0.73	S	S	*	*			trans	-150.7	72.3	179.5	175	0	0	0	0	113.8
651	D	37	Very low	44.3	Very low	179 Å²	179	130.3 Å²	130.3	96%	0.957	74%	0.735	S	S	*	*			trans	-101.1	113.1	155.5	-152.2	6.7	0	0	0	108.6
652	G	32.8	Very low	43.2	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	75%	0.745	S	S	*	*			trans	166.4	73.7	-178.3	0	0	0	0	0	116.9
653	M	32	Very low	42.2	Very low	180 Å²	180	134.1 Å²	134.1	89%	0.887	76%	0.758	S	S	*	*			trans	93.9	81	147.9	-127.4	83.1	175.4	0	0	121.4
654	S	36.3	Very low	41.8	Very low	91 Å²	91	138 Å²	138	64%	0.636	79%	0.789	S	S	*	*				38.4	110.6	127.2	66.3	0	0	0	0	125
655	S	34.8	Very low	41.2	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	80%	0.8	S	S	*	*				49.7	162.9	123	52.8	0	0	0	0	123.3
656	P	53.6	Low	40.7	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	81%	0.805	S	S	*	*			cis	-121.7	-178.2	-1.9	39.4	-20.5	0	0	0	111.9
657	E	31.8	Very low	40.1	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	82%	0.816	S	S	*	*			cis	-170.1	129.7	32.2	-145.3	160.8	-162	0	0	108.6
658	L	35.1	Very low	39.6	Very low	166 Å²	166	141.3 Å²	141.3	87%	0.869	82%	0.824	S	S	*	*			trans	-78	161.1	168.2	-117	80.8	0	0	0	108.3
659	S	41.1	Very low	39.3	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	82%	0.824	S	S	*	*			cis	-177.2	170.7	10.3	56.9	0	0	0	0	103.5
660	A	41	Very low	39	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	82%	0.824	S	S	*	*			cis	-176.1	169.3	35.9	0	0	0	0	0	109.3
661	A	38.3	Very low	39.1	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	83%	0.833	S	S	*	*			trans	100.5	85.5	138	0	0	0	0	0	117.4
662	D	42.8	Very low	39.2	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	82%	0.824	S	S	*	*			trans	-71.8	145.1	141.5	-94.2	-34.2	0	0	0	111.3
663	K	39.8	Very low	39.7	Very low	193 Å²	193	140.6 Å²	140.6	84%	0.839	84%	0.835	S	S	*	*			trans	-159	142.1	139.1	-102.3	-176.8	-171.8	-174.9	0	109
664	P	50.4	Low	40.4	Very low	193 Å²	193	137 Å²	137	100%	1.253	83%	0.83	S	S	*	*				-112.5	0	94.2	29.9	-28.7	0	0	0	114.4

Retrieved 664 of 664 residues in 227.1 ms (Link to these results)

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