A0A096NH12_PAPAN Loading...

glutaminase

AlphaFold DB , UniProt , Accession A0A096NH12, Species PAPAN (Papio anubis, Olive baboon), Gene GLS2, Length 602 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	45.7	Very low	227 Å²	227	144.5 Å²	144.5	100%	1.118	73%	0.73	S	S	*	*				0	0.3	0	-76.7	-173.1	-179	0	0	116.4
2	R	41.3	Very low	45.2	Very low	247 Å²	247	138.6 Å²	138.6	93%	0.932	71%	0.712	S	S	*	*			trans	-94.8	-19.4	178.1	-80.6	-174.8	175.6	178	-1	116.2
3	S	49.1	Very low	44.6	Very low	94 Å²	94	139.5 Å²	139.5	66%	0.657	71%	0.711	S	S	*	*	S	Bend	trans	-81.9	-34.6	-179.6	53	0	0	0	0	115	K5 A6	S3-K5 VanDerWaalsContact C-N 3.29Å; S3-K5 PolarHBondContact O-N 3.29Å; S3-A6 PolarHBondContact O-N 3.06Å; S3-A6 VanDerWaalsContact O-N 3.14Å
4	M	41.8	Very low	43.9	Very low	153 Å²	153	135.8 Å²	135.8	75%	0.754	71%	0.712	S	S	*	*	H	α-helix	trans	-64.3	-29.6	-179.2	-69.7	-177.7	84.9	0	0	113.7	A6 Q8	M4-A6 VanDerWaalsContact C-N 3.26Å; M4-A6 PolarHBondContact O-N 3.33Å; M4-Q8 PolarHBondContact O-N 3.3Å
5	K	48.7	Very low	43	Very low	173 Å²	173	133.8 Å²	133.8	75%	0.752	71%	0.714	S	S	*	*	H	α-helix	trans	-72.6	-15.6	177.1	-74.6	-171.3	174	-175.6	0	113.8	S3	S3-K5 VanDerWaalsContact C-N 3.29Å; S3-K5 PolarHBondContact O-N 3.29Å
6	A	50	Low	42.2	Very low	66 Å²	66	130.9 Å²	130.9	55%	0.545	71%	0.707	S	S	.	*	H	α-helix	trans	-79.7	-48.1	175	0	0	0	0	0	111.3	S3 M4 Q8 K9 A10	S3-A6 PolarHBondContact O-N 3.06Å; S3-A6 VanDerWaalsContact O-N 3.14Å; M4-A6 VanDerWaalsContact C-N 3.26Å; M4-A6 PolarHBondContact O-N 3.33Å; A6-Q8 VanDerWaalsContact C-N 3.32Å; A6-Q8 PolarHBondContact O-N 3.23Å; A6-K9 PolarHBondContact O-N 3.37Å; A6-A10 PolarHBondContact O-N 3.05Å
7	L	44.7	Very low	41.6	Very low	127 Å²	127	133.5 Å²	133.5	67%	0.665	71%	0.714	S	S	*	*	H	α-helix	trans	-58.7	-42.7	179.2	-114.2	83.5	0	0	0	112.5	K9 A10 L11	L7-K9 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.38Å; L7-L11 PolarHBondContact O-N 3.22Å
8	Q	46.8	Very low	40.7	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	72%	0.721	S	S	*	*	H	α-helix	trans	-69.2	-18.1	-176.4	-149.1	171.6	13.4	0	0	113.3	M4 A6	M4-Q8 PolarHBondContact O-N 3.3Å; A6-Q8 VanDerWaalsContact C-N 3.32Å; A6-Q8 PolarHBondContact O-N 3.23Å
9	K	45.5	Very low	40	Very low	155 Å²	155	138.9 Å²	138.9	67%	0.674	73%	0.731	S	S	*	*	H	α-helix	trans	-90.8	-22.7	177.4	-152.9	179.7	-175.1	-172.9	0	113.1	A6 L7 S12	A6-K9 PolarHBondContact O-N 3.37Å; L7-K9 PolarHBondContact O-N 3.49Å; K9-S12 PolarHBondContact O-OG 3.45Å
10	A	42.8	Very low	39.4	Very low	64 Å²	64	144.9 Å²	144.9	53%	0.529	74%	0.744	S	S	.	*	H	α-helix	trans	-76.5	-40.7	173.1	0	0	0	0	0	111.7	A6 L7 S12 Q13	A6-A10 PolarHBondContact O-N 3.05Å; L7-A10 PolarHBondContact O-N 3.38Å; A10-S12 VanDerWaalsContact C-N 3.3Å; A10-S12 PolarHBondContact O-N 2.97Å; A10-Q13 PolarHBondContact O-N 3.2Å
11	L	41.8	Very low	38.7	Very low	133 Å²	133	141.9 Å²	141.9	70%	0.696	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-22.4	-178.8	-72.8	166.4	0	0	0	114.1	L7	L7-L11 PolarHBondContact O-N 3.22Å
12	S	40	Very low	37.5	Very low	73 Å²	73	137.7 Å²	137.7	51%	0.51	73%	0.73	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-9.3	177.7	60.9	0	0	0	0	114.6	K9 A10	K9-S12 PolarHBondContact O-OG 3.45Å; A10-S12 VanDerWaalsContact C-N 3.3Å; A10-S12 PolarHBondContact O-N 2.97Å
13	Q	36.7	Very low	36.8	Very low	150 Å²	150	137.6 Å²	137.6	70%	0.701	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-14.6	177	-70.5	-171.7	-42.8	0	0	113.6	A10	A10-Q13 PolarHBondContact O-N 3.2Å
14	A	34.4	Very low	35.6	Very low	88 Å²	88	137 Å²	137	73%	0.727	74%	0.739	S	S	*	*	S	Bend	trans	-85.7	-10.7	-178.9	0	0	0	0	0	114.6
15	S	31.3	Very low	34.7	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	75%	0.745	S	S	*	*	S	Bend	trans	-100.1	2.8	-172.7	57	0	0	0	0	115.1
16	S	30.4	Very low	33.6	Very low	87 Å²	87	137.6 Å²	137.6	61%	0.608	75%	0.746	S	S	*	*	S	Bend	trans	-101.8	5.5	-171.3	61.6	0	0	0	0	115.4
17	H	31.4	Very low	32.4	Very low	176 Å²	176	139 Å²	139	82%	0.815	75%	0.752	S	S	*	*	S	Bend	trans	-127.9	85.3	176.8	-89.1	28.2	0	0	0	112.1
18	C	26.4	Very low	31.5	Very low	125 Å²	125	143.9 Å²	143.9	85%	0.845	76%	0.762	S	S	*	*			trans	166.2	93.2	135.7	-89	0	0	0	0	111.5
19	R	26.8	Very low	30.4	Very low	244 Å²	244	142.1 Å²	142.1	92%	0.921	77%	0.766	S	S	*	*			trans	-148.3	115.1	154.5	-86.2	-161.7	178.7	-166.5	0.2	110.9
20	R	28.1	Very low	30.3	Very low	259 Å²	259	140.1 Å²	140.1	98%	0.977	77%	0.769	S	S	*	*			trans	139.1	130.3	147	-80.4	178.2	173.7	-163.3	-2.5	111.3
21	G	24.6	Very low	29.5	Very low	81 Å²	81	144.3 Å²	144.3	84%	0.835	78%	0.781	S	S	*	*			trans	169.3	113.4	178.4	0	0	0	0	0	107.2
22	D	25.8	Very low	28.9	Very low	140 Å²	140	145.4 Å²	145.4	75%	0.749	79%	0.787	S	S	*	*			trans	-131.4	142.8	-159.1	-146.4	9.6	0	0	0	109
23	W	25.4	Very low	28.1	Very low	245 Å²	245	145.5 Å²	145.5	93%	0.928	80%	0.8	S	S	*	*			trans	67.5	143.6	168.8	-59.3	52.3	0	0	0	119.5
24	G	23.6	Very low	27.5	Very low	82 Å²	82	142.3 Å²	142.3	85%	0.845	81%	0.807	S	S	*	*			trans	159	120	162.6	0	0	0	0	0	115.6
25	H	24.4	Very low	27	Very low	188 Å²	188	142 Å²	142	87%	0.87	81%	0.812	S	S	*	*			trans	-94.9	169.1	-177.2	-112	-83.2	0	0	0	113.8
26	L	24.9	Very low	26.7	Very low	149 Å²	149	144 Å²	144	78%	0.78	82%	0.82	S	S	*	*			trans	92.8	99.1	150.2	-72.6	147.3	0	0	0	122.5
27	S	25.1	Very low	26.4	Very low	96 Å²	96	150.3 Å²	150.3	67%	0.671	83%	0.83	S	S	*	*				107.7	144.9	105.7	81.7	0	0	0	0	122.7
28	R	24.9	Very low	26.1	Very low	230 Å²	230	148.4 Å²	148.4	87%	0.868	82%	0.821	S	S	*	*			trans	77.2	87.7	157.9	-62.9	-177.6	178.7	-154.6	-1.5	121.1
29	S	24.8	Very low	26	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	83%	0.825	S	S	*	*				28.2	159.4	107.6	-52.3	0	0	0	0	122
30	P	43.6	Very low	25.9	Very low	112 Å²	112	148 Å²	148	73%	0.727	82%	0.822	S	S	*	*			cis	-140.8	-146.1	-24.2	39.4	-17.7	0	0	0	113
31	L	26.1	Very low	25.7	Very low	152 Å²	152	141.1 Å²	141.1	80%	0.796	81%	0.813	S	S	*	*			trans	99.8	130.4	174.5	-54.2	172.9	0	0	0	113.8
32	L	27.4	Very low	25.7	Very low	157 Å²	157	146.8 Å²	146.8	82%	0.822	82%	0.818	S	S	*	*			cis	-153	135.3	-9	-120.6	166.4	0	0	0	108
33	G	23.7	Very low	25.7	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	82%	0.821	S	S	*	*			trans	-110.6	148.4	172.8	0	0	0	0	0	111.2
34	G	24.3	Very low	25.6	Very low	82 Å²	82	137.9 Å²	137.9	85%	0.845	82%	0.816	S	S	*	*			trans	-154.8	94.2	178.5	0	0	0	0	0	111.7
35	G	23.8	Very low	25.7	Very low	81 Å²	81	138.6 Å²	138.6	84%	0.835	81%	0.813	S	S	*	*			trans	-92.8	153.7	167.4	0	0	0	0	0	110.9
36	V	24.6	Very low	25.8	Very low	149 Å²	149	139.2 Å²	139.2	90%	0.903	82%	0.817	S	S	*	*			trans	-123.5	127.9	177	179.2	0	0	0	0	109.6
37	R	24	Very low	25.7	Very low	219 Å²	219	135.7 Å²	135.7	83%	0.826	82%	0.817	S	S	*	*			trans	-144.7	135.7	170.2	-129.2	-172.6	-173.3	-166.9	2.3	109.6
38	H	26.1	Very low	25.8	Very low	136 Å²	136	143.2 Å²	143.2	63%	0.63	83%	0.83	S	S	*	*			trans	57.5	118.7	168.1	-60.9	-73.5	0	0	0	119.5
39	H	24.4	Very low	25.7	Very low	199 Å²	199	140.7 Å²	140.7	92%	0.921	83%	0.828	S	S	*	*			trans	-133.8	123.1	130.2	-95.4	-74.9	0	0	0	109.4
40	L	24.3	Very low	25.7	Very low	163 Å²	163	141 Å²	141	85%	0.853	83%	0.826	S	S	*	*			trans	-88.1	147.3	159.6	-78.8	157.1	0	0	0	107.6
41	S	24.7	Very low	25.1	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	82%	0.824	S	S	*	*			trans	-146.4	118.3	171.2	-173.3	0	0	0	0	109.6
42	E	24.7	Very low	25.2	Very low	200 Å²	200	142.7 Å²	142.7	94%	0.935	83%	0.828	S	S	*	*			trans	-94.2	133.8	165.7	-67.8	179.6	125.7	0	0	108.9
43	A	24.4	Very low	25.2	Very low	99 Å²	99	141 Å²	141	82%	0.818	83%	0.829	S	S	*	*			trans	-150.3	127.9	164.1	0	0	0	0	0	110.5
44	A	24.6	Very low	25.5	Very low	99 Å²	99	148.9 Å²	148.9	82%	0.818	84%	0.836	S	S	*	*			trans	-74.3	148.8	-163	0	0	0	0	0	116.7
45	A	24.8	Very low	25.6	Very low	96 Å²	96	153.8 Å²	153.8	79%	0.793	84%	0.837	S	S	*	*			trans	46.4	112.6	130.9	0	0	0	0	0	121.4
46	Q	26.3	Very low	25.8	Very low	202 Å²	202	155.9 Å²	155.9	94%	0.944	84%	0.836	S	S	*	*			trans	-136.9	127.7	132.3	-71.5	-168.6	-3.7	0	0	109.2
47	G	23.7	Very low	26.1	Very low	75 Å²	75	157.2 Å²	157.2	77%	0.773	83%	0.832	S	S	*	*			trans	-104.5	148.1	-177.7	0	0	0	0	0	113.5
48	R	26.4	Very low	26.6	Very low	253 Å²	253	156.4 Å²	156.4	96%	0.955	84%	0.837	S	S	*	*			trans	-146.2	138.7	160.4	-79.1	-170.5	173.6	172.7	-2.2	110.6
49	E	23.7	Very low	27.1	Very low	178 Å²	178	158 Å²	158	83%	0.832	85%	0.845	S	S	*	*			trans	-82.8	167.3	174	-70.7	168.6	100	0	0	110.7
50	T	23.5	Very low	27.6	Very low	121 Å²	121	154.8 Å²	154.8	74%	0.742	84%	0.835	S	S	*	*			cis	-162.9	-171.1	1.3	12.4	0	0	0	0	106.9
51	P	31.1	Very low	28.1	Very low	105 Å²	105	154.6 Å²	154.6	68%	0.682	83%	0.829	S	S	*	*			cis	-130.3	175.1	-20.9	27	-5.2	0	0	0	114
52	H	29	Very low	28.7	Very low	193 Å²	193	156 Å²	156	89%	0.894	83%	0.828	S	S	*	*			trans	20.3	109.1	158.2	-62.9	-40.5	0	0	0	121.4
53	S	28.1	Very low	29.5	Very low	121 Å²	121	149.8 Å²	149.8	85%	0.846	81%	0.806	S	S	*	*			trans	-138.9	146.5	140.9	64.1	0	0	0	0	110.4
54	R	28	Very low	30.9	Very low	242 Å²	242	148.3 Å²	148.3	91%	0.913	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69	139.6	-169.9	-65.1	168.3	176.6	168	-3.2	111.4
55	Q	26.3	Very low	32.3	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.864	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.3	163.7	-72.6	178.2	-31.4	0	0	110
56	P	29.9	Very low	34	Very low	125 Å²	125	149.3 Å²	149.3	81%	0.812	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-71.7	132	158.3	-8.8	26	0	0	0	108.7
57	Q	29.7	Very low	36	Very low	176 Å²	176	141 Å²	141	82%	0.822	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-72.2	146.7	171.5	-69.8	171.3	-38	0	0	110	Q59	Q57-Q59 PolarHBondContact O-N 3.01Å
58	H	35.7	Very low	38.4	Very low	203 Å²	203	143.1 Å²	143.1	94%	0.94	73%	0.731	S	S	*	*	S	Bend	trans	-65.2	97.8	170.2	-93	-79.2	0	0	0	110.7
59	Q	36.5	Very low	40.6	Very low	169 Å²	169	134.7 Å²	134.7	79%	0.79	70%	0.704	S	S	*	*			trans	-148.7	81.6	163.9	-76.8	-167.6	-18.9	0	0	109.7	Q57	Q57-Q59 PolarHBondContact O-N 3.01Å
60	D	34	Very low	43.1	Very low	132 Å²	132	128.3 Å²	128.3	71%	0.706	68%	0.679	S	S	*	*			trans	-168.7	90.6	162.7	-101.5	-34.7	0	0	0	110	S63	D60-S63 WeakPolarHBondContact OD1-CB 3.45Å; D60-S63 PolarHBondContact OD1-OG 3.34Å
61	H	33.9	Very low	45.9	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.736	68%	0.677	S	S	*	*	S	Bend	trans	-143.2	-42	161.4	-106.8	-66.9	0	0	0	111.5	S63 S64	H61-S63 VanDerWaalsContact C-N 3.32Å; H61-S63 PolarHBondContact O-N 3.19Å; H61-S64 PolarHBondContact O-N 3.34Å; H61-S64 PolarHBondContact O-OG 3.36Å
62	D	38.1	Very low	48.4	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	66%	0.657	S	S	*	*	H	α-helix	trans	-66.1	-29	175.8	-72.5	-23.9	0	0	0	114.2	S64	D62-S64 PolarHBondContact O-N 3.2Å
63	S	41.3	Very low	50.9	Low	69 Å²	69	119.5 Å²	119.5	48%	0.483	62%	0.615	S	S	.	*	H	α-helix	trans	-62.2	-30.1	178.5	53.5	0	0	0	0	112.7	D60 H61 G67	D60-S63 WeakPolarHBondContact OD1-CB 3.45Å; D60-S63 PolarHBondContact OD1-OG 3.34Å; H61-S63 VanDerWaalsContact C-N 3.32Å; H61-S63 PolarHBondContact O-N 3.19Å; S63-G67 PolarHBondContact O-N 3.31Å
64	S	53.8	Low	53.7	Low	68 Å²	68	115.4 Å²	115.4	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-81.1	-39.5	-173.8	70.6	0	0	0	0	113.8	H61 D62 M68	H61-S64 PolarHBondContact O-N 3.34Å; H61-S64 PolarHBondContact O-OG 3.36Å; D62-S64 PolarHBondContact O-N 3.2Å; S64-M68 PolarHBondContact O-N 3.33Å; S64-M68 VanDerWaalsContact O-N 3.14Å
65	E	54.3	Low	56.5	Low	132 Å²	132	109 Å²	109	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-72.8	-43.4	-179.7	-67	-162.7	152.7	0	0	111.7	G67 M68 L69	E65-G67 VanDerWaalsContact C-N 3.29Å; E65-G67 PolarHBondContact O-N 3.34Å; E65-M68 WeakPolarHBondContact O-CB 3.39Å; E65-M68 PolarHBondContact O-N 3.22Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.2Å
66	S	59.9	Low	59.5	Low	83 Å²	83	100.6 Å²	100.6	58%	0.58	53%	0.527	S	S	*	.	H	α-helix	trans	-57.5	-43.2	175.1	-173	0	0	0	0	111.7	M68 S70	S66-M68 VanDerWaalsContact C-N 3.33Å; S66-M68 PolarHBondContact O-N 2.75Å; S66-S70 VanDerWaalsContact O-CB 3.32Å; S66-S70 WeakPolarHBondContact O-CB 3.47Å; S66-S70 PolarHBondContact O-N 3.44Å
67	G	70	Confident	62.3	Low	29 Å²	29	94.8 Å²	94.8	30%	0.299	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-33.2	174.5	0	0	0	0	0	114	S63 E65 R71	S63-G67 PolarHBondContact O-N 3.31Å; E65-G67 VanDerWaalsContact C-N 3.29Å; E65-G67 PolarHBondContact O-N 3.34Å; G67-R71 WeakPolarHBondContact O-CD 3.4Å; G67-R71 VanDerWaalsContact O-CG 3.25Å; G67-R71 WeakPolarHBondContact O-CG 3.14Å; G67-R71 PolarHBondContact O-N 3.06Å
68	M	72.9	Confident	65.1	Low	119 Å²	119	92.6 Å²	92.6	59%	0.586	48%	0.475	S	S	*	.	H	α-helix	trans	-73.1	-46.8	176.9	-167.9	-170.9	-54.1	0	0	112.1	S64 E65 S66 S70 R71 L72	S64-M68 PolarHBondContact O-N 3.33Å; S64-M68 VanDerWaalsContact O-N 3.14Å; E65-M68 WeakPolarHBondContact O-CB 3.39Å; E65-M68 PolarHBondContact O-N 3.22Å; S66-M68 VanDerWaalsContact C-N 3.33Å; S66-M68 PolarHBondContact O-N 2.75Å; M68-S70 VanDerWaalsContact C-N 3.31Å; M68-S70 PolarHBondContact O-N 3.23Å; M68-R71 PolarHBondContact O-N 3.45Å; M68-L72 WeakPolarHBondContact O-CG 3.42Å; M68-L72 PolarHBondContact O-N 3.21Å
69	L	73.5	Confident	67.6	Low	75 Å²	75	87.1 Å²	87.1	39%	0.393	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-39.1	178.9	-65.6	170.3	0	0	0	111.4	E65 L72 G73 I141	E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.2Å; L69-L72 PolarHBondContact O-N 2.96Å; L69-G73 PolarHBondContact O-N 2.95Å; L69-I141 HydrophobicContact CD2-CG2 3.7Å
70	S	74.6	Confident	70	Confident	45 Å²	45	79.5 Å²	79.5	32%	0.315	42%	0.42	S	S	.	.	H	α-helix	trans	-57.6	-49.8	173.5	-174.5	0	0	0	0	112	S66 M68 L72 G73 D74 R134	S66-S70 VanDerWaalsContact O-CB 3.32Å; S66-S70 WeakPolarHBondContact O-CB 3.47Å; S66-S70 PolarHBondContact O-N 3.44Å; M68-S70 VanDerWaalsContact C-N 3.31Å; M68-S70 PolarHBondContact O-N 3.23Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 2.96Å; S70-G73 PolarHBondContact O-N 2.87Å; S70-G73 VanDerWaalsContact O-N 3.15Å; S70-D74 PolarHBondContact O-N 3.06Å; S70-D74 VanDerWaalsContact O-N 3.1Å; S70-R134 WeakPolarHBondContact OG-CD 3.07Å
71	R	83.8	Confident	72.6	Confident	182 Å²	182	73.2 Å²	73.2	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-35.7	177.2	-70	168.3	-174.3	-175.7	3.3	113	G67 M68 D74 L75	G67-R71 WeakPolarHBondContact O-CD 3.4Å; G67-R71 VanDerWaalsContact O-CG 3.25Å; G67-R71 WeakPolarHBondContact O-CG 3.14Å; G67-R71 PolarHBondContact O-N 3.06Å; M68-R71 PolarHBondContact O-N 3.45Å; R71-D74 PolarHBondContact O-N 3Å; R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 VanDerWaalsContact O-CG 3.31Å; R71-L75 WeakPolarHBondContact O-CG 3.45Å; R71-L75 PolarHBondContact O-N 3.38Å
72	L	82.8	Confident	75	Confident	50 Å²	50	72.8 Å²	72.8	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-39.1	174.7	-73.6	170.6	0	0	0	111.7	M68 L69 S70 L75 L76 I141 T145	M68-L72 WeakPolarHBondContact O-CG 3.42Å; M68-L72 PolarHBondContact O-N 3.21Å; L69-L72 PolarHBondContact O-N 2.96Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 2.96Å; L72-L75 PolarHBondContact O-N 3.24Å; L72-L76 WeakPolarHBondContact O-CB 3.46Å; L72-L76 PolarHBondContact O-N 3.45Å; L72-I141 HydrophobicContact CB-CD1 4.45Å; L72-I141 HydrophobicContact CB-CG1 4Å; L72-T145 HydrophobicContact CD2-CG2 4.39Å
73	G	82.8	Confident	77.1	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-60	-45.3	172.8	0	0	0	0	0	112.7	L69 S70 L76 F77	L69-G73 PolarHBondContact O-N 2.95Å; S70-G73 PolarHBondContact O-N 2.87Å; S70-G73 VanDerWaalsContact O-N 3.15Å; G73-L76 PolarHBondContact O-N 2.89Å; G73-F77 PolarHBondContact O-N 3.25Å
74	D	86.7	Confident	79.3	Confident	35 Å²	35	71.3 Å²	71.3	19%	0.187	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-42.5	177.1	-63.7	-22.5	0	0	0	111.9	S70 R71 L76 F77 Y78 R130 R134	S70-D74 PolarHBondContact O-N 3.06Å; S70-D74 VanDerWaalsContact O-N 3.1Å; R71-D74 PolarHBondContact O-N 3Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.41Å; D74-F77 WeakPolarHBondContact O-CB 3.24Å; D74-F77 PolarHBondContact O-N 3.31Å; D74-Y78 HydrophobicContact CB-CE2 4.4Å; D74-Y78 WeakPolarHBondContact O-CD2 3.44Å; D74-Y78 PolarHBondContact O-N 3.26Å; D74-Y78 VanDerWaalsContact O-N 3.07Å; D74-R130 WeakPolarHBondContact OD1-CD 3.46Å; D74-R130 WeakPolarHBondContact OD1-CG 3.47Å; D74-R134 IonicContact OD1-CZ 3.51Å; D74-R134 IonicContact OD1-NH1 3.65Å; D74-R134 PolarHBondContact OD1-NH1 3Å; D74-R134 IonicContact OD2-NH1 3.24Å
75	L	86.8	Confident	80.9	Confident	107 Å²	107	76.3 Å²	76.3	56%	0.56	40%	0.402	S	S	*	.	H	α-helix	trans	-62.9	-39.7	175.4	-73.8	169.8	0	0	0	112.4	R71 L72 F77 Y78 T79	R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 VanDerWaalsContact O-CG 3.31Å; R71-L75 WeakPolarHBondContact O-CG 3.45Å; R71-L75 PolarHBondContact O-N 3.38Å; L72-L75 PolarHBondContact O-N 3.24Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-Y78 PolarHBondContact O-N 3.19Å; L75-T79 PolarHBondContact O-N 3.08Å; L75-T79 PolarHBondContact O-OG1 3.35Å
76	L	87.9	Confident	82.5	Confident	9 Å²	9	74 Å²	74	5%	0.047	39%	0.391	C	S	.	.	H	α-helix	trans	-65.2	-40.2	175.9	-179.2	61.6	0	0	0	111.2	L72 G73 D74 T79 I80 F133 I141 L144 F148	L72-L76 WeakPolarHBondContact O-CB 3.46Å; L72-L76 PolarHBondContact O-N 3.45Å; G73-L76 PolarHBondContact O-N 2.89Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.41Å; L76-T79 WeakPolarHBondContact O-CB 3.36Å; L76-T79 PolarHBondContact O-N 2.81Å; L76-I80 HydrophobicContact CD1-CD1 3.72Å; L76-I80 HydrophobicContact CD1-CG1 4.45Å; L76-I80 HydrophobicContact CG-CD1 3.92Å; L76-I80 PolarHBondContact O-N 3.14Å; L76-F133 HydrophobicContact CB-CE1 4.26Å; L76-F133 HydrophobicContact CD2-CE1 4.15Å; L76-F133 HydrophobicContact CD2-CZ 4.11Å; L76-F133 HydrophobicContact CG-CE1 4.02Å; L76-F133 HydrophobicContact CG-CZ 4.02Å; L76-I141 HydrophobicContact CB-CD1 4.34Å; L76-I141 HydrophobicContact CD2-CD1 3.66Å; L76-L144 HydrophobicContact CD2-CB 3.89Å; L76-L144 HydrophobicContact CD2-CD1 4.5Å; L76-F148 HydrophobicContact CD1-CB 3.73Å; L76-F148 HydrophobicContact CD1-CD2 3.53Å; L76-F148 HydrophobicContact CD1-CE2 4.27Å; L76-F148 HydrophobicContact CD1-CG 3.67Å
77	F	89.6	Confident	83.9	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-55.4	-54.5	172.4	178.8	-89.3	0	0	0	111	G73 D74 L75 T79 I80 A81 E85 I87 R130 F133	G73-F77 PolarHBondContact O-N 3.25Å; D74-F77 WeakPolarHBondContact O-CB 3.24Å; D74-F77 PolarHBondContact O-N 3.31Å; L75-F77 VanDerWaalsContact C-N 3.35Å; F77-T79 PolarHBondContact O-N 3.07Å; F77-I80 PolarHBondContact O-N 3.07Å; F77-I80 VanDerWaalsContact O-N 3.09Å; F77-A81 HydrophobicContact CD1-CB 4.23Å; F77-A81 HydrophobicContact CE1-CB 3.92Å; F77-A81 HydrophobicContact CZ-CB 4.26Å; F77-A81 VanDerWaalsContact O-CB 3.23Å; F77-A81 WeakPolarHBondContact O-CB 3.45Å; F77-A81 PolarHBondContact O-N 3.41Å; F77-E85 WeakPolarHBondContact CZ-O 3.41Å; F77-I87 HydrophobicContact CB-CD1 4.46Å; F77-I87 HydrophobicContact CD2-CD1 3.3Å; F77-I87 HydrophobicContact CD2-CG1 3.97Å; F77-I87 HydrophobicContact CE2-CB 4.41Å; F77-I87 HydrophobicContact CE2-CD1 3.52Å; F77-I87 HydrophobicContact CE2-CG1 3.61Å; F77-I87 HydrophobicContact CG-CD1 3.92Å; F77-I87 HydrophobicContact CZ-CD1 4.26Å; F77-I87 HydrophobicContact CZ-CG1 4.09Å; F77-R130 HydrophobicContact CD1-CB 4.19Å; F77-R130 HydrophobicContact CD1-CG 4.27Å; F77-R130 HydrophobicContact CD2-CB 4.33Å; F77-R130 HydrophobicContact CE1-CB 4.18Å; F77-R130 HydrophobicContact CE2-CB 4.3Å; F77-R130 HydrophobicContact CG-CB 4.28Å; F77-R130 HydrophobicContact CG-CG 4.27Å; F77-R130 HydrophobicContact CZ-CB 4.23Å; F77-F133 HydrophobicContact CB-CD1 3.75Å; F77-F133 HydrophobicContact CB-CE1 4.05Å; F77-F133 HydrophobicContact CB-CG 4.43Å; F77-F133 HydrophobicContact CD2-CB 3.67Å; F77-F133 AromaticContact CD2-CD1 3.94Å; F77-F133 HydrophobicContact CD2-CD1 3.94Å; F77-F133 HydrophobicContact CD2-CD2 4.39Å; F77-F133 AromaticContact CD2-CG 3.75Å; F77-F133 HydrophobicContact CD2-CG 3.75Å; F77-F133 HydrophobicContact CE2-CB 4.24Å; F77-F133 HydrophobicContact CG-CD1 4.37Å
78	Y	87.8	Confident	84.9	Confident	130 Å²	130	69.9 Å²	69.9	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-33.6	-179.9	-66.5	-59.2	0	0	0	113.3	D74 L75 I80 E82	D74-Y78 HydrophobicContact CB-CE2 4.4Å; D74-Y78 WeakPolarHBondContact O-CD2 3.44Å; D74-Y78 PolarHBondContact O-N 3.26Å; D74-Y78 VanDerWaalsContact O-N 3.07Å; L75-Y78 PolarHBondContact O-N 3.19Å; Y78-I80 VanDerWaalsContact C-N 3.31Å; Y78-I80 PolarHBondContact O-N 2.9Å; Y78-E82 PolarHBondContact O-N 3.26Å
79	T	87.6	Confident	85.6	Confident	88 Å²	88	65.5 Å²	65.5	54%	0.54	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-35.5	177.1	-55	0	0	0	0	112.3	L75 L76 F77	L75-T79 PolarHBondContact O-N 3.08Å; L75-T79 PolarHBondContact O-OG1 3.35Å; L76-T79 WeakPolarHBondContact O-CB 3.36Å; L76-T79 PolarHBondContact O-N 2.81Å; F77-T79 PolarHBondContact O-N 3.07Å
80	I	88.8	Confident	86.3	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.046	35%	0.347	C	S	.	.	H	α-helix	trans	-96.6	-29.7	-175.8	-62.8	160.6	0	0	0	111.6	L76 F77 Y78 E82 I87 K91 F92 F133 F148	L76-I80 HydrophobicContact CD1-CD1 3.72Å; L76-I80 HydrophobicContact CD1-CG1 4.45Å; L76-I80 HydrophobicContact CG-CD1 3.92Å; L76-I80 PolarHBondContact O-N 3.14Å; F77-I80 PolarHBondContact O-N 3.07Å; F77-I80 VanDerWaalsContact O-N 3.09Å; Y78-I80 VanDerWaalsContact C-N 3.31Å; Y78-I80 PolarHBondContact O-N 2.9Å; I80-E82 VanDerWaalsContact C-N 3.32Å; I80-E82 PolarHBondContact O-N 3.14Å; I80-I87 HydrophobicContact CB-CD1 4.01Å; I80-I87 HydrophobicContact CG2-CD1 4.03Å; I80-I87 HydrophobicContact CG2-CG2 3.92Å; I80-K91 WeakPolarHBondContact O-CE 3.4Å; I80-K91 PolarHBondContact O-NZ 3.02Å; I80-F92 HydrophobicContact CD1-CD2 3.98Å; I80-F92 HydrophobicContact CD1-CE2 4.27Å; I80-F133 HydrophobicContact CD1-CZ 4.02Å; I80-F148 HydrophobicContact CD1-CD1 4.27Å; I80-F148 HydrophobicContact CD1-CD2 4.4Å; I80-F148 HydrophobicContact CD1-CE1 3.89Å; I80-F148 HydrophobicContact CD1-CE2 4.03Å; I80-F148 HydrophobicContact CD1-CZ 3.76Å; I80-F148 HydrophobicContact CG1-CD1 4.26Å; I80-F148 HydrophobicContact CG1-CE1 4.01Å; I80-F148 HydrophobicContact CG1-CZ 4.37Å
81	A	87.1	Confident	87.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-26.3	178.2	0	0	0	0	0	113	F77 G83 Q84 I87	F77-A81 HydrophobicContact CD1-CB 4.23Å; F77-A81 HydrophobicContact CE1-CB 3.92Å; F77-A81 HydrophobicContact CZ-CB 4.26Å; F77-A81 VanDerWaalsContact O-CB 3.23Å; F77-A81 WeakPolarHBondContact O-CB 3.45Å; F77-A81 PolarHBondContact O-N 3.41Å; A81-G83 PolarHBondContact O-N 3.4Å; A81-Q84 WeakPolarHBondContact CB-O 3.35Å; A81-Q84 VanDerWaalsContact O-CB 3.3Å; A81-Q84 WeakPolarHBondContact O-CB 3.28Å; A81-Q84 WeakPolarHBondContact O-CG 3.26Å; A81-Q84 PolarHBondContact O-N 2.86Å; A81-I87 HydrophobicContact CB-CD1 4.06Å; A81-I87 HydrophobicContact CB-CG1 3.76Å
82	E	85.5	Confident	87.5	Confident	150 Å²	150	59.6 Å²	59.6	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.4	179.7	-60.8	169.6	156.2	0	0	112.5	Y78 I80 K91	Y78-E82 PolarHBondContact O-N 3.26Å; I80-E82 VanDerWaalsContact C-N 3.32Å; I80-E82 PolarHBondContact O-N 3.14Å; E82-K91 WeakPolarHBondContact OE2-CE 3.47Å; E82-K91 IonicContact OE2-NZ 3.85Å; E82-K91 PolarHBondContact OE2-NZ 3.48Å
83	G	81.2	Confident	87.9	Confident	76 Å²	76	58.5 Å²	58.5	78%	0.784	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-0.2	-178	0	0	0	0	0	115.8	A81	A81-G83 PolarHBondContact O-N 3.4Å
84	Q	87.1	Confident	88.4	Confident	105 Å²	105	62.7 Å²	62.7	49%	0.491	33%	0.329	S	S	.	.			trans	-78.5	152.3	173.3	-61.7	177.4	-13.8	0	0	111.9	A81 Q86	A81-Q84 WeakPolarHBondContact CB-O 3.35Å; A81-Q84 VanDerWaalsContact O-CB 3.3Å; A81-Q84 WeakPolarHBondContact O-CB 3.28Å; A81-Q84 WeakPolarHBondContact O-CG 3.26Å; A81-Q84 PolarHBondContact O-N 2.86Å; Q84-Q86 VanDerWaalsContact C-N 3.32Å
85	E	87.2	Confident	88.7	Confident	174 Å²	174	62.6 Å²	62.6	81%	0.813	33%	0.333	S	S	*	.	S	Bend	trans	-77.3	-16.8	177.3	-64.9	-168.6	156.4	0	0	113.8	F77	F77-E85 WeakPolarHBondContact CZ-O 3.41Å
86	Q	88.8	Confident	89.1	Confident	84 Å²	84	57.5 Å²	57.5	39%	0.393	31%	0.306	S	S	.	.	S	Bend	trans	-143.1	147.2	-176.9	-61.8	-179.1	5.1	0	0	110.7	Q84 L127 L128	Q84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-L127 HydrophobicContact CB-CB 4.43Å; Q86-L128 CarbonylContact C-O 3.59Å; Q86-L128 VanDerWaalsContact CA-O 3.27Å; Q86-L128 WeakPolarHBondContact CA-O 3.46Å
87	I	89.8	Confident	89.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.1	179.1	-60.4	172.2	0	0	0	109.7	F77 I80 A81 F92 L128 F133	F77-I87 HydrophobicContact CB-CD1 4.46Å; F77-I87 HydrophobicContact CD2-CD1 3.3Å; F77-I87 HydrophobicContact CD2-CG1 3.97Å; F77-I87 HydrophobicContact CE2-CB 4.41Å; F77-I87 HydrophobicContact CE2-CD1 3.52Å; F77-I87 HydrophobicContact CE2-CG1 3.61Å; F77-I87 HydrophobicContact CG-CD1 3.92Å; F77-I87 HydrophobicContact CZ-CD1 4.26Å; F77-I87 HydrophobicContact CZ-CG1 4.09Å; I80-I87 HydrophobicContact CB-CD1 4.01Å; I80-I87 HydrophobicContact CG2-CD1 4.03Å; I80-I87 HydrophobicContact CG2-CG2 3.92Å; A81-I87 HydrophobicContact CB-CD1 4.06Å; A81-I87 HydrophobicContact CB-CG1 3.76Å; I87-F92 HydrophobicContact CG2-CB 4.3Å; I87-L128 PolarHBondContact N-O 3.1Å; I87-L128 PolarHBondContact O-N 3.18Å; I87-F133 HydrophobicContact CD1-CD2 4.15Å; I87-F133 HydrophobicContact CD1-CE2 4.2Å
88	P	90.3	Very high	89.5	Confident	24 Å²	24	64.3 Å²	64.3	16%	0.156	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.5	166.8	-18.4	31.1	0	0	0	111.5	H90 K91 F92 L127	P88-H90 WeakPolarHBondContact CB-CE1 3.22Å; P88-H90 WeakPolarHBondContact CB-ND1 3.35Å; P88-H90 PolarHBondContact O-N 3.44Å; P88-H90 VanDerWaalsContact O-N 3.14Å; P88-K91 HydrophobicContact CB-CB 4.39Å; P88-K91 WeakPolarHBondContact O-CA 3.45Å; P88-K91 VanDerWaalsContact O-CB 3.31Å; P88-K91 WeakPolarHBondContact O-CB 3.47Å; P88-K91 PolarHBondContact O-N 3.29Å; P88-F92 PolarHBondContact O-N 3.02Å; P88-L127 HydrophobicContact CB-CD2 4.17Å; P88-L127 HydrophobicContact CG-CD2 3.84Å
89	I	88.1	Confident	89.9	Confident	27 Å²	27	59 Å²	59	14%	0.138	32%	0.323	C	S	.	.	H	α-helix	trans	-59.2	-29.9	-179.8	-70.6	165.2	0	0	0	112.7	K91 F92 T93 V119 G126 L128	I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.53Å; I89-F92 PolarHBondContact O-N 3.4Å; I89-T93 HydrophobicContact CG2-CG2 4.24Å; I89-T93 WeakPolarHBondContact O-CG2 3.44Å; I89-T93 PolarHBondContact O-N 3.3Å; I89-T93 PolarHBondContact O-OG1 2.77Å; I89-V119 HydrophobicContact CD1-CG2 3.3Å; I89-G126 WeakPolarHBondContact CG1-O 3.4Å; I89-G126 PolarHBondContact N-O 2.95Å; I89-L128 HydrophobicContact CD1-CD1 4.29Å; I89-L128 HydrophobicContact CD1-CD2 4.1Å; I89-L128 HydrophobicContact CD1-CG 4.07Å; I89-L128 HydrophobicContact CG1-CD1 3.69Å; I89-L128 HydrophobicContact CG1-CD2 4.31Å; I89-L128 HydrophobicContact CG1-CG 3.73Å
90	H	88.9	Confident	90.3	Very high	135 Å²	135	55 Å²	55	63%	0.625	30%	0.299	S	S	*	.	H	α-helix	trans	-65.3	-34.4	173.5	76.7	-98.2	0	0	0	112.4	P88 T93 T94	P88-H90 WeakPolarHBondContact CB-CE1 3.22Å; P88-H90 WeakPolarHBondContact CB-ND1 3.35Å; P88-H90 PolarHBondContact O-N 3.44Å; P88-H90 VanDerWaalsContact O-N 3.14Å; H90-T93 WeakPolarHBondContact CA-OG1 3.43Å; H90-T93 PolarHBondContact O-OG1 3.39Å; H90-T94 VanDerWaalsContact O-CB 3.27Å; H90-T94 WeakPolarHBondContact O-CB 3.38Å; H90-T94 PolarHBondContact O-N 2.6Å; H90-T94 PolarHBondContact O-OG1 3.37Å
91	K	91.5	Very high	90.7	Very high	44 Å²	44	54.7 Å²	54.7	19%	0.191	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-46.8	175.2	-166.2	-172.6	-173.5	-167.1	0	110.2	I80 E82 P88 I89 T94 A95	I80-K91 WeakPolarHBondContact O-CE 3.4Å; I80-K91 PolarHBondContact O-NZ 3.02Å; E82-K91 WeakPolarHBondContact OE2-CE 3.47Å; E82-K91 IonicContact OE2-NZ 3.85Å; E82-K91 PolarHBondContact OE2-NZ 3.48Å; P88-K91 HydrophobicContact CB-CB 4.39Å; P88-K91 WeakPolarHBondContact O-CA 3.45Å; P88-K91 VanDerWaalsContact O-CB 3.31Å; P88-K91 WeakPolarHBondContact O-CB 3.47Å; P88-K91 PolarHBondContact O-N 3.29Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.53Å; K91-T94 PolarHBondContact O-N 3.34Å; K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 2.84Å
92	F	91.6	Very high	91	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-52.4	174.4	173.8	-100.7	0	0	0	112.3	I80 I87 P88 I89 T94 A95 L96 M112 M115 F133 L144 F148	I80-F92 HydrophobicContact CD1-CD2 3.98Å; I80-F92 HydrophobicContact CD1-CE2 4.27Å; I87-F92 HydrophobicContact CG2-CB 4.3Å; P88-F92 PolarHBondContact O-N 3.02Å; I89-F92 PolarHBondContact O-N 3.4Å; F92-T94 VanDerWaalsContact C-N 3.31Å; F92-T94 PolarHBondContact O-N 2.72Å; F92-A95 PolarHBondContact O-N 3.47Å; F92-L96 HydrophobicContact CE1-CD2 4.29Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 PolarHBondContact O-N 3.33Å; F92-M112 HydrophobicContact CE1-CE 4.11Å; F92-M115 HydrophobicContact CD1-CE 3.67Å; F92-M115 HydrophobicContact CD1-SD 3.58Å; F92-M115 VanDerWaalsContact CD1-SD 3.58Å; F92-M115 HydrophobicContact CD2-CE 4.43Å; F92-M115 HydrophobicContact CE1-CE 3.52Å; F92-M115 HydrophobicContact CE1-SD 3.59Å; F92-M115 VanDerWaalsContact CE1-SD 3.59Å; F92-M115 HydrophobicContact CE2-CE 4.31Å; F92-M115 HydrophobicContact CG-CE 4.14Å; F92-M115 HydrophobicContact CG-SD 4.48Å; F92-M115 HydrophobicContact CZ-CE 3.87Å; F92-M115 HydrophobicContact CZ-SD 4.49Å; F92-F133 AromaticContact CD2-CE2 3.69Å; F92-F133 HydrophobicContact CD2-CE2 3.69Å; F92-F133 HydrophobicContact CD2-CZ 4.18Å; F92-F133 AromaticContact CE2-CE2 3.98Å; F92-F133 HydrophobicContact CE2-CE2 3.98Å; F92-F133 HydrophobicContact CE2-CZ 4.14Å; F92-F133 HydrophobicContact CG-CE2 4.43Å; F92-L144 HydrophobicContact CZ-CD1 4.48Å; F92-L144 HydrophobicContact CZ-CD2 4.11Å; F92-F148 HydrophobicContact CD2-CZ 4.49Å; F92-F148 HydrophobicContact CE2-CE2 4.1Å; F92-F148 HydrophobicContact CE2-CZ 4.23Å
93	T	91.9	Very high	91.4	Very high	27 Å²	27	52.7 Å²	52.7	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-28	-177.4	50.8	0	0	0	0	113.3	I89 H90 K97 T103 M112	I89-T93 HydrophobicContact CG2-CG2 4.24Å; I89-T93 WeakPolarHBondContact O-CG2 3.44Å; I89-T93 PolarHBondContact O-N 3.3Å; I89-T93 PolarHBondContact O-OG1 2.77Å; H90-T93 WeakPolarHBondContact CA-OG1 3.43Å; H90-T93 PolarHBondContact O-OG1 3.39Å; T93-K97 VanDerWaalsContact O-CG 3.26Å; T93-K97 WeakPolarHBondContact O-CG 3.28Å; T93-K97 PolarHBondContact O-N 3.14Å; T93-K97 VanDerWaalsContact O-N 3.14Å; T93-T103 HydrophobicContact CG2-CG2 4.28Å; T93-M112 HydrophobicContact CG2-CE 4.42Å; T93-M112 HydrophobicContact CG2-SD 4.48Å
94	T	93	Very high	91.9	Very high	88 Å²	88	53.1 Å²	53.1	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-71.2	-48.6	172	-58.5	0	0	0	0	110.8	H90 K91 F92 L96 K97 A98	H90-T94 VanDerWaalsContact O-CB 3.27Å; H90-T94 WeakPolarHBondContact O-CB 3.38Å; H90-T94 PolarHBondContact O-N 2.6Å; H90-T94 PolarHBondContact O-OG1 3.37Å; K91-T94 PolarHBondContact O-N 3.34Å; F92-T94 VanDerWaalsContact C-N 3.31Å; F92-T94 PolarHBondContact O-N 2.72Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.49Å; T94-K97 PolarHBondContact O-N 3.15Å; T94-K97 VanDerWaalsContact O-N 3.12Å; T94-A98 PolarHBondContact O-N 2.98Å
95	A	92.4	Very high	92.3	Very high	33 Å²	33	48.5 Å²	48.5	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-36	177.5	0	0	0	0	0	112.2	K91 F92 A98 T99 F148	K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 2.84Å; F92-A95 PolarHBondContact O-N 3.47Å; A95-A98 PolarHBondContact O-N 3.44Å; A95-T99 PolarHBondContact O-N 2.97Å; A95-F148 HydrophobicContact CB-CE1 3.81Å; A95-F148 HydrophobicContact CB-CZ 4.31Å
96	L	94.1	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-45.9	171.4	-179.9	69.1	0	0	0	111.8	F92 T94 A98 T99 L101 T103 L108 M112 L144 F148	F92-L96 HydrophobicContact CE1-CD2 4.29Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 PolarHBondContact O-N 3.33Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.49Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 2.98Å; L96-T99 WeakPolarHBondContact O-CB 3.31Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 VanDerWaalsContact O-N 3.1Å; L96-T99 PolarHBondContact O-OG1 3.23Å; L96-L101 HydrophobicContact CD1-CB 3.98Å; L96-L101 HydrophobicContact CD1-CD1 3.86Å; L96-L101 HydrophobicContact CG-CB 4.26Å; L96-T103 HydrophobicContact CD2-CG2 4.46Å; L96-L108 HydrophobicContact CD1-CD1 4.1Å; L96-L108 HydrophobicContact CD2-CD1 3.84Å; L96-L108 HydrophobicContact CG-CD1 4.47Å; L96-M112 HydrophobicContact CD2-CE 3.26Å; L96-L144 HydrophobicContact CD1-CD2 3.78Å; L96-F148 HydrophobicContact CB-CZ 4.38Å; L96-F148 HydrophobicContact CD1-CE2 4.42Å
97	K	93.9	Very high	93	Very high	122 Å²	122	41.2 Å²	41.2	53%	0.53	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-34.8	177.7	-76.1	170.5	-177.6	177	0	112.7	T93 T94 T99 G100	T93-K97 VanDerWaalsContact O-CG 3.26Å; T93-K97 WeakPolarHBondContact O-CG 3.28Å; T93-K97 PolarHBondContact O-N 3.14Å; T93-K97 VanDerWaalsContact O-N 3.14Å; T94-K97 PolarHBondContact O-N 3.15Å; T94-K97 VanDerWaalsContact O-N 3.12Å; K97-T99 PolarHBondContact O-N 2.8Å; K97-G100 WeakPolarHBondContact O-CA 3.23Å; K97-G100 PolarHBondContact O-N 3.27Å
98	A	93.3	Very high	93.3	Very high	35 Å²	35	41.3 Å²	41.3	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-26.1	174.3	0	0	0	0	0	113	T94 A95 L96 G100 E158	T94-A98 PolarHBondContact O-N 2.98Å; A95-A98 PolarHBondContact O-N 3.44Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 2.98Å; A98-G100 PolarHBondContact O-N 3.13Å; A98-E158 WeakPolarHBondContact CA-OE1 3.45Å; A98-E158 HydrophobicContact CB-CG 4.48Å; A98-E158 WeakPolarHBondContact CB-OE1 3.16Å
99	T	95.1	Very high	93.4	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.11	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.4	170.7	75.4	0	0	0	0	113.5	A95 L96 K97 L101 A147 Q204	A95-T99 PolarHBondContact O-N 2.97Å; L96-T99 WeakPolarHBondContact O-CB 3.31Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 VanDerWaalsContact O-N 3.1Å; L96-T99 PolarHBondContact O-OG1 3.23Å; K97-T99 PolarHBondContact O-N 2.8Å; T99-L101 PolarHBondContact OG1-N 3.16Å; T99-A147 HydrophobicContact CG2-CB 4Å; T99-Q204 WeakPolarHBondContact O-CG 3.26Å; T99-Q204 PolarHBondContact O-NE2 3.44Å
100	G	96.2	Very high	93.6	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-7.6	-173.9	0	0	0	0	0	114.9	K97 A98 F157 Q204 R205	K97-G100 WeakPolarHBondContact O-CA 3.23Å; K97-G100 PolarHBondContact O-N 3.27Å; A98-G100 PolarHBondContact O-N 3.13Å; G100-F157 VanDerWaalsContact CA-CE1 3.48Å; G100-Q204 CarbonylContact O-C 3.59Å; G100-Q204 WeakPolarHBondContact O-CA 3.27Å; G100-R205 PolarHBondContact O-N 3.28Å
101	L	96.9	Very high	93.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.238	C	C	.	.			trans	-71.8	142.1	173.6	-69.7	177.1	0	0	0	111.5	L96 T99 L108 L143 A147 F152	L96-L101 HydrophobicContact CD1-CB 3.98Å; L96-L101 HydrophobicContact CD1-CD1 3.86Å; L96-L101 HydrophobicContact CG-CB 4.26Å; T99-L101 PolarHBondContact OG1-N 3.16Å; L101-L108 HydrophobicContact CB-CD1 4.47Å; L101-L108 HydrophobicContact CD1-CD1 4.29Å; L101-L143 HydrophobicContact CD1-CG 4.39Å; L101-A147 HydrophobicContact CD1-CB 3.89Å; L101-F152 HydrophobicContact CD1-CE2 3.84Å; L101-F152 HydrophobicContact CD1-CZ 3.86Å; L101-F152 HydrophobicContact CD2-CE2 4.18Å; L101-F152 HydrophobicContact CD2-CZ 4.3Å; L101-F152 HydrophobicContact CG-CE2 3.83Å; L101-F152 HydrophobicContact CG-CZ 4.21Å
102	Q	94.3	Very high	93.8	Very high	52 Å²	52	41.4 Å²	41.4	24%	0.243	23%	0.233	C	C	.	.			trans	-95.2	148.6	175.6	-66.6	-177.7	-10.9	0	0	111.1	S104 D105 R205	Q102-S104 PolarHBondContact O-N 3.45Å; Q102-S104 VanDerWaalsContact O-N 3.17Å; Q102-D105 VanDerWaalsContact O-CB 3.3Å; Q102-D105 WeakPolarHBondContact O-CB 3.44Å; Q102-D105 PolarHBondContact O-N 2.88Å; Q102-D105 VanDerWaalsContact O-N 3.1Å; Q102-R205 HydrophobicContact CG-CB 4.25Å
103	T	93.3	Very high	93.8	Very high	56 Å²	56	44.4 Å²	44.4	34%	0.344	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.6	176.5	54.8	0	0	0	0	113.4	T93 L96 M112	T93-T103 HydrophobicContact CG2-CG2 4.28Å; L96-T103 HydrophobicContact CD2-CG2 4.46Å; T103-M112 HydrophobicContact CG2-CE 3.86Å; T103-M112 HydrophobicContact CG2-SD 4.37Å
104	S	93.4	Very high	93.7	Very high	86 Å²	86	45.2 Å²	45.2	60%	0.601	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7.9	173.9	53.1	0	0	0	0	113.5	Q102 P106	Q102-S104 PolarHBondContact O-N 3.45Å; Q102-S104 VanDerWaalsContact O-N 3.17Å; S104-P106 WeakPolarHBondContact O-CD 3.41Å
105	D	94.9	Very high	93.4	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	23%	0.231	C	C	.	.			trans	-63.2	122.6	175.6	-168.6	-57.7	0	0	0	110.3	Q102 R107 L108 Q109	Q102-D105 VanDerWaalsContact O-CB 3.3Å; Q102-D105 WeakPolarHBondContact O-CB 3.44Å; Q102-D105 PolarHBondContact O-N 2.88Å; Q102-D105 VanDerWaalsContact O-N 3.1Å; D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 VanDerWaalsContact O-N 3.12Å; D105-R107 VanDerWaalsContact OD1-CB 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CG 3.48Å; D105-R107 IonicContact OD1-CZ 2.75Å; D105-R107 PolarHBondContact OD1-N 2.99Å; D105-R107 IonicContact OD1-NE 3.41Å; D105-R107 PolarHBondContact OD1-NE 3.38Å; D105-R107 IonicContact OD1-NH2 3.52Å; D105-R107 IonicContact OD2-CZ 3.75Å; D105-R107 IonicContact OD2-NE 3.35Å; D105-R107 PolarHBondContact OD2-NE 2.89Å; D105-R107 IonicContact OD2-NH2 3.06Å; D105-R107 PolarHBondContact OD2-NH2 3.08Å; D105-L108 HydrophobicContact CB-CB 4.43Å; D105-L108 HydrophobicContact CB-CD1 4.2Å; D105-L108 HydrophobicContact CB-CG 4.2Å; D105-L108 PolarHBondContact O-N 3.14Å; D105-Q109 PolarHBondContact O-N 3.29Å
106	P	95	Very high	93.2	Very high	53 Å²	53	45.4 Å²	45.4	34%	0.344	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-53.7	-31.7	179.2	-28.6	35.3	0	0	0	114.1	S104 L108 Q109 I375 T376	S104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-L108 PolarHBondContact O-N 2.88Å; P106-Q109 WeakPolarHBondContact O-CB 3.47Å; P106-Q109 PolarHBondContact O-N 3.04Å; P106-I375 WeakPolarHBondContact CD-O 3.29Å; P106-T376 HydrophobicContact CB-CG2 4.42Å; P106-T376 HydrophobicContact CG-CG2 4.28Å
107	R	95.8	Very high	92.8	Very high	53 Å²	53	49.2 Å²	49.2	20%	0.2	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-73.5	-6.9	178.6	-54.8	164.6	-59.5	161.2	7.8	113.4	D105 N140 L143 D202 P374 I375	D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 VanDerWaalsContact O-N 3.12Å; D105-R107 VanDerWaalsContact OD1-CB 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CG 3.48Å; D105-R107 IonicContact OD1-CZ 2.75Å; D105-R107 PolarHBondContact OD1-N 2.99Å; D105-R107 IonicContact OD1-NE 3.41Å; D105-R107 PolarHBondContact OD1-NE 3.38Å; D105-R107 IonicContact OD1-NH2 3.52Å; D105-R107 IonicContact OD2-CZ 3.75Å; D105-R107 IonicContact OD2-NE 3.35Å; D105-R107 PolarHBondContact OD2-NE 2.89Å; D105-R107 IonicContact OD2-NH2 3.06Å; D105-R107 PolarHBondContact OD2-NH2 3.08Å; R107-N140 PolarHBondContact O-ND2 2.85Å; R107-L143 HydrophobicContact CB-CD2 3.65Å; R107-D202 VanDerWaalsContact CZ-O 3.3Å; R107-D202 PolarHBondContact NH1-O 2.91Å; R107-D202 PolarHBondContact NH2-O 3.38Å; R107-P374 PolarHBondContact NE-O 3.46Å; R107-P374 PolarHBondContact NH1-O 3.36Å; R107-I375 WeakPolarHBondContact CG-O 3.23Å
108	L	95	Very high	92.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-112.8	5.3	175.7	-60.2	-178.3	0	0	0	112.8	L96 L101 D105 P106 D110 C111 M112 N140 L143 L144	L96-L108 HydrophobicContact CD1-CD1 4.1Å; L96-L108 HydrophobicContact CD2-CD1 3.84Å; L96-L108 HydrophobicContact CG-CD1 4.47Å; L101-L108 HydrophobicContact CB-CD1 4.47Å; L101-L108 HydrophobicContact CD1-CD1 4.29Å; D105-L108 HydrophobicContact CB-CB 4.43Å; D105-L108 HydrophobicContact CB-CD1 4.2Å; D105-L108 HydrophobicContact CB-CG 4.2Å; D105-L108 PolarHBondContact O-N 3.14Å; P106-L108 PolarHBondContact O-N 2.88Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.94Å; L108-C111 PolarHBondContact O-N 2.93Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 3.38Å; L108-N140 HydrophobicContact CD2-CB 4.09Å; L108-L143 HydrophobicContact CD2-CD2 3.86Å; L108-L143 HydrophobicContact CG-CD2 4.27Å; L108-L144 HydrophobicContact CD2-CD2 3.91Å; L108-L144 HydrophobicContact CD2-CG 4.21Å
109	Q	93.3	Very high	91.9	Very high	127 Å²	127	45.1 Å²	45.1	59%	0.593	24%	0.241	S	C	*	.	H	α-helix	trans	-57.4	-43	-175.2	-175.6	174	10.7	0	0	112.3	D105 P106 M112 S113	D105-Q109 PolarHBondContact O-N 3.29Å; P106-Q109 WeakPolarHBondContact O-CB 3.47Å; P106-Q109 PolarHBondContact O-N 3.04Å; Q109-M112 PolarHBondContact O-N 3.25Å; Q109-S113 VanDerWaalsContact O-CB 3.3Å; Q109-S113 WeakPolarHBondContact O-CB 3.35Å; Q109-S113 PolarHBondContact O-N 2.85Å; Q109-S113 PolarHBondContact O-OG 3.01Å
110	D	92.2	Very high	91.2	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-52.5	178.8	-63	-28.5	0	0	0	111.4	L108 M112 S113 E114	L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.94Å; D110-M112 VanDerWaalsContact C-N 3.31Å; D110-M112 PolarHBondContact O-N 3.25Å; D110-S113 PolarHBondContact O-N 3.41Å; D110-S113 VanDerWaalsContact O-N 3.15Å; D110-E114 PolarHBondContact O-N 3.09Å
111	C	92	Very high	90.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-55.3	-44.7	177.2	177.7	0	0	0	0	112.2	L108 M115 C136 N140	L108-C111 PolarHBondContact O-N 2.93Å; C111-M115 WeakPolarHBondContact O-CB 3.48Å; C111-M115 VanDerWaalsContact O-CG 3.28Å; C111-M115 WeakPolarHBondContact O-CG 3.24Å; C111-M115 PolarHBondContact O-N 3.43Å; C111-C136 WeakPolarHBondContact CA-O 3.47Å; C111-N140 HydrophobicContact CB-CB 4.45Å; C111-N140 WeakPolarHBondContact CB-OD1 3.24Å; C111-N140 PolarHBondContact N-OD1 2.89Å
112	M	92.2	Very high	89.1	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.069	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-36.8	178.9	-68.2	-66	166.6	0	0	112.3	F92 T93 L96 T103 L108 Q109 D110 M115 H116	F92-M112 HydrophobicContact CE1-CE 4.11Å; T93-M112 HydrophobicContact CG2-CE 4.42Å; T93-M112 HydrophobicContact CG2-SD 4.48Å; L96-M112 HydrophobicContact CD2-CE 3.26Å; T103-M112 HydrophobicContact CG2-CE 3.86Å; T103-M112 HydrophobicContact CG2-SD 4.37Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 3.38Å; Q109-M112 PolarHBondContact O-N 3.25Å; D110-M112 VanDerWaalsContact C-N 3.31Å; D110-M112 PolarHBondContact O-N 3.25Å; M112-M115 PolarHBondContact O-N 3.35Å; M112-H116 VanDerWaalsContact O-CG 3.26Å; M112-H116 PolarHBondContact O-N 3.33Å; M112-H116 PolarHBondContact O-ND1 2.73Å
113	S	91.4	Very high	87.5	Confident	63 Å²	63	63.8 Å²	63.8	44%	0.441	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-43.1	177.5	-56.2	0	0	0	0	111.6	Q109 D110 H116 R117	Q109-S113 VanDerWaalsContact O-CB 3.3Å; Q109-S113 WeakPolarHBondContact O-CB 3.35Å; Q109-S113 PolarHBondContact O-N 2.85Å; Q109-S113 PolarHBondContact O-OG 3.01Å; D110-S113 PolarHBondContact O-N 3.41Å; D110-S113 VanDerWaalsContact O-N 3.15Å; S113-H116 PolarHBondContact O-N 3.23Å; S113-R117 PolarHBondContact O-N 3.32Å
114	E	89.3	Confident	86	Confident	45 Å²	45	63.8 Å²	63.8	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.1	-75.4	-69.4	119.5	0	0	111.5	D110 H116 R117 V118 K135 C136	D110-E114 PolarHBondContact O-N 3.09Å; E114-H116 PolarHBondContact O-N 3.13Å; E114-R117 VanDerWaalsContact CD-NH2 3.32Å; E114-R117 PolarHBondContact O-N 2.91Å; E114-R117 IonicContact OE1-CZ 2.62Å; E114-R117 VanDerWaalsContact OE1-CZ 3.28Å; E114-R117 IonicContact OE1-NH1 2.72Å; E114-R117 PolarHBondContact OE1-NH1 3.22Å; E114-R117 IonicContact OE1-NH2 2.66Å; E114-R117 PolarHBondContact OE1-NH2 2.66Å; E114-R117 IonicContact OE2-CZ 3.94Å; E114-R117 IonicContact OE2-NH1 3.73Å; E114-R117 IonicContact OE2-NH2 2.63Å; E114-R117 PolarHBondContact OE2-NH2 3.2Å; E114-V118 WeakPolarHBondContact O-CG2 3.45Å; E114-V118 PolarHBondContact O-N 2.78Å; E114-K135 WeakPolarHBondContact OE2-CE 3.16Å; E114-C136 HydrophobicContact CB-CB 4.34Å
115	M	88	Confident	84.7	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-41.9	175.8	-74.5	-178.1	179.1	0	0	112.2	F92 C111 M112 R117 V118 V119 L128 F133 C136 V137	F92-M115 HydrophobicContact CD1-CE 3.67Å; F92-M115 HydrophobicContact CD1-SD 3.58Å; F92-M115 VanDerWaalsContact CD1-SD 3.58Å; F92-M115 HydrophobicContact CD2-CE 4.43Å; F92-M115 HydrophobicContact CE1-CE 3.52Å; F92-M115 HydrophobicContact CE1-SD 3.59Å; F92-M115 VanDerWaalsContact CE1-SD 3.59Å; F92-M115 HydrophobicContact CE2-CE 4.31Å; F92-M115 HydrophobicContact CG-CE 4.14Å; F92-M115 HydrophobicContact CG-SD 4.48Å; F92-M115 HydrophobicContact CZ-CE 3.87Å; F92-M115 HydrophobicContact CZ-SD 4.49Å; C111-M115 WeakPolarHBondContact O-CB 3.48Å; C111-M115 VanDerWaalsContact O-CG 3.28Å; C111-M115 WeakPolarHBondContact O-CG 3.24Å; C111-M115 PolarHBondContact O-N 3.43Å; M112-M115 PolarHBondContact O-N 3.35Å; M115-R117 PolarHBondContact O-N 3.47Å; M115-V118 PolarHBondContact O-N 3.41Å; M115-V119 WeakPolarHBondContact O-CG2 3.39Å; M115-V119 PolarHBondContact O-N 3.47Å; M115-L128 HydrophobicContact CE-CD1 3.99Å; M115-L128 HydrophobicContact CG-CD1 4.42Å; M115-L128 HydrophobicContact SD-CD1 4.49Å; M115-F133 HydrophobicContact CE-CD2 4.46Å; M115-F133 HydrophobicContact CE-CE2 4.37Å; M115-C136 HydrophobicContact CE-CB 3.86Å; M115-C136 HydrophobicContact CG-CB 3.8Å; M115-V137 HydrophobicContact CE-CG1 4.2Å
116	H	87.4	Confident	83.8	Confident	120 Å²	120	63.4 Å²	63.4	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-63.6	-38.5	174.2	-70.5	137.7	0	0	0	112.5	M112 S113 E114 V119 Q120	M112-H116 VanDerWaalsContact O-CG 3.26Å; M112-H116 PolarHBondContact O-N 3.33Å; M112-H116 PolarHBondContact O-ND1 2.73Å; S113-H116 PolarHBondContact O-N 3.23Å; E114-H116 PolarHBondContact O-N 3.13Å; H116-V119 PolarHBondContact O-N 3.1Å; H116-Q120 WeakPolarHBondContact O-CG 2.93Å; H116-Q120 PolarHBondContact O-N 2.9Å; H116-Q120 VanDerWaalsContact O-N 3.13Å
117	R	87.1	Confident	83.4	Confident	80 Å²	80	63.9 Å²	63.9	30%	0.302	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-45.3	175	-164.8	-176.4	71.1	-126.2	-19.9	111.1	S113 E114 M115 V119 Q120 E121 K135	S113-R117 PolarHBondContact O-N 3.32Å; E114-R117 VanDerWaalsContact CD-NH2 3.32Å; E114-R117 PolarHBondContact O-N 2.91Å; E114-R117 IonicContact OE1-CZ 2.62Å; E114-R117 VanDerWaalsContact OE1-CZ 3.28Å; E114-R117 IonicContact OE1-NH1 2.72Å; E114-R117 PolarHBondContact OE1-NH1 3.22Å; E114-R117 IonicContact OE1-NH2 2.66Å; E114-R117 PolarHBondContact OE1-NH2 2.66Å; E114-R117 IonicContact OE2-CZ 3.94Å; E114-R117 IonicContact OE2-NH1 3.73Å; E114-R117 IonicContact OE2-NH2 2.63Å; E114-R117 PolarHBondContact OE2-NH2 3.2Å; M115-R117 PolarHBondContact O-N 3.47Å; R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 PolarHBondContact O-N 3.4Å; R117-Q120 PolarHBondContact O-N 3.15Å; R117-Q120 VanDerWaalsContact O-N 3.08Å; R117-E121 VanDerWaalsContact CD-OE1 3.23Å; R117-E121 WeakPolarHBondContact CD-OE1 3.32Å; R117-E121 HydrophobicContact CG-CG 4.18Å; R117-E121 WeakPolarHBondContact CG-OE1 3.44Å; R117-E121 IonicContact NE-OE1 2.67Å; R117-E121 PolarHBondContact NE-OE1 3Å; R117-E121 IonicContact NE-OE2 2.68Å; R117-E121 PolarHBondContact NE-OE2 2.83Å; R117-E121 WeakPolarHBondContact O-CB 3.2Å; R117-E121 WeakPolarHBondContact O-CG 3.35Å; R117-E121 PolarHBondContact O-N 2.74Å; R117-K135 VanDerWaalsContact NH2-NZ 3.12Å
118	V	83.5	Confident	83	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.1	174.8	0	0	0	0	111.7	E114 M115 Q120 S122 L128 L132	E114-V118 WeakPolarHBondContact O-CG2 3.45Å; E114-V118 PolarHBondContact O-N 2.78Å; M115-V118 PolarHBondContact O-N 3.41Å; V118-Q120 VanDerWaalsContact C-N 3.35Å; V118-Q120 PolarHBondContact O-N 2.92Å; V118-S122 WeakPolarHBondContact O-CB 3.36Å; V118-S122 PolarHBondContact O-N 3.35Å; V118-S122 PolarHBondContact O-OG 3.02Å; V118-L128 HydrophobicContact CB-CD2 4.38Å; V118-L128 HydrophobicContact CG1-CD2 3.7Å; V118-L132 HydrophobicContact CG1-CD1 4.33Å; V118-L132 HydrophobicContact CG2-CD2 4.5Å
119	V	83.1	Confident	82.7	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-37	174	172.2	0	0	0	0	112.6	I89 M115 H116 R117	I89-V119 HydrophobicContact CD1-CG2 3.3Å; M115-V119 WeakPolarHBondContact O-CG2 3.39Å; M115-V119 PolarHBondContact O-N 3.47Å; H116-V119 PolarHBondContact O-N 3.1Å; R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 PolarHBondContact O-N 3.4Å
120	Q	81.4	Confident	82.4	Confident	166 Å²	166	62.7 Å²	62.7	78%	0.776	35%	0.352	S	S	*	.	H	α-helix	trans	-77.3	-34.8	179.7	-69.5	176.7	1.9	0	0	112.8	H116 R117 V118	H116-Q120 WeakPolarHBondContact O-CG 2.93Å; H116-Q120 PolarHBondContact O-N 2.9Å; H116-Q120 VanDerWaalsContact O-N 3.13Å; R117-Q120 PolarHBondContact O-N 3.15Å; R117-Q120 VanDerWaalsContact O-N 3.08Å; V118-Q120 VanDerWaalsContact C-N 3.35Å; V118-Q120 PolarHBondContact O-N 2.92Å
121	E	79.3	Confident	82.2	Confident	130 Å²	130	61.8 Å²	61.8	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-81.4	-27.1	-179.4	-70	173.1	167.7	0	0	112.9	R117	R117-E121 VanDerWaalsContact CD-OE1 3.23Å; R117-E121 WeakPolarHBondContact CD-OE1 3.32Å; R117-E121 HydrophobicContact CG-CG 4.18Å; R117-E121 WeakPolarHBondContact CG-OE1 3.44Å; R117-E121 IonicContact NE-OE1 2.67Å; R117-E121 PolarHBondContact NE-OE1 3Å; R117-E121 IonicContact NE-OE2 2.68Å; R117-E121 PolarHBondContact NE-OE2 2.83Å; R117-E121 WeakPolarHBondContact O-CB 3.2Å; R117-E121 WeakPolarHBondContact O-CG 3.35Å; R117-E121 PolarHBondContact O-N 2.74Å
122	S	68.6	Low	82	Confident	35 Å²	35	64.3 Å²	64.3	25%	0.245	36%	0.36	C	S	.	.			trans	-100.3	122.2	-170.6	-48.8	0	0	0	0	113.4	V118 S124	V118-S122 WeakPolarHBondContact O-CB 3.36Å; V118-S122 PolarHBondContact O-N 3.35Å; V118-S122 PolarHBondContact O-OG 3.02Å; S122-S124 WeakPolarHBondContact CB-OG 3.4Å; S122-S124 PolarHBondContact O-N 2.66Å; S122-S124 VanDerWaalsContact O-N 3.11Å
123	S	62.3	Low	81.9	Confident	136 Å²	136	63.7 Å²	63.7	95%	0.951	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-1	169.3	46.8	0	0	0	0	114.4	G125	S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.43Å
124	S	60.5	Low	81.8	Confident	57 Å²	57	63.7 Å²	63.7	40%	0.399	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.4	-179.4	61.1	0	0	0	0	115.3	S122 G126	S122-S124 WeakPolarHBondContact CB-OG 3.4Å; S122-S124 PolarHBondContact O-N 2.66Å; S122-S124 VanDerWaalsContact O-N 3.11Å; S124-G126 PolarHBondContact O-N 2.89Å
125	G	65.8	Low	81.7	Confident	76 Å²	76	66.7 Å²	66.7	78%	0.784	36%	0.359	S	S	*	.	S	Bend	trans	71.5	25.2	172.7	0	0	0	0	0	115.5	S123	S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.43Å
126	G	77.2	Confident	81.8	Confident	8 Å²	8	66.5 Å²	66.5	8%	0.082	36%	0.359	C	S	.	.	S	Bend	trans	85.2	29.9	176	0	0	0	0	0	115	I89 S124	I89-G126 WeakPolarHBondContact CG1-O 3.4Å; I89-G126 PolarHBondContact N-O 2.95Å; S124-G126 PolarHBondContact O-N 2.89Å
127	L	86.3	Confident	81.9	Confident	63 Å²	63	60.9 Å²	60.9	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.5	166.2	-63.9	171.1	0	0	0	109.9	Q86 P88	Q86-L127 HydrophobicContact CB-CB 4.43Å; P88-L127 HydrophobicContact CB-CD2 4.17Å; P88-L127 HydrophobicContact CG-CD2 3.84Å
128	L	86.9	Confident	81.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123	175.8	-62.7	176	0	0	0	110.2	Q86 I87 I89 M115 V118 L132 F133	Q86-L128 CarbonylContact C-O 3.59Å; Q86-L128 VanDerWaalsContact CA-O 3.27Å; Q86-L128 WeakPolarHBondContact CA-O 3.46Å; I87-L128 PolarHBondContact N-O 3.1Å; I87-L128 PolarHBondContact O-N 3.18Å; I89-L128 HydrophobicContact CD1-CD1 4.29Å; I89-L128 HydrophobicContact CD1-CD2 4.1Å; I89-L128 HydrophobicContact CD1-CG 4.07Å; I89-L128 HydrophobicContact CG1-CD1 3.69Å; I89-L128 HydrophobicContact CG1-CD2 4.31Å; I89-L128 HydrophobicContact CG1-CG 3.73Å; M115-L128 HydrophobicContact CE-CD1 3.99Å; M115-L128 HydrophobicContact CG-CD1 4.42Å; M115-L128 HydrophobicContact SD-CD1 4.49Å; V118-L128 HydrophobicContact CB-CD2 4.38Å; V118-L128 HydrophobicContact CG1-CD2 3.7Å; L128-L132 HydrophobicContact CD2-CB 4.27Å; L128-F133 HydrophobicContact CB-CB 4.3Å; L128-F133 HydrophobicContact CD1-CD2 3.94Å
129	D	88.8	Confident	82.2	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.4	173.4	160.9	69.3	48.3	0	0	0	111.2	D131 L132 F133	D129-D131 VanDerWaalsContact C-N 3.32Å; D129-D131 PolarHBondContact O-N 3.02Å; D129-D131 WeakPolarHBondContact OD1-CA 3.38Å; D129-D131 PolarHBondContact OD1-N 3.27Å; D129-L132 WeakPolarHBondContact OD1-CB 3.48Å; D129-L132 PolarHBondContact OD1-N 3.45Å; D129-L132 WeakPolarHBondContact OD2-CD1 3.32Å; D129-F133 WeakPolarHBondContact O-CB 3.41Å; D129-F133 PolarHBondContact O-N 3.2Å
130	R	88.3	Confident	82.6	Confident	95 Å²	95	61.4 Å²	61.4	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-57.2	-41.8	-179.5	-177.6	-163.8	63.3	-154.9	-8.5	113.1	D74 F77 R134	D74-R130 WeakPolarHBondContact OD1-CD 3.46Å; D74-R130 WeakPolarHBondContact OD1-CG 3.47Å; F77-R130 HydrophobicContact CD1-CB 4.19Å; F77-R130 HydrophobicContact CD1-CG 4.27Å; F77-R130 HydrophobicContact CD2-CB 4.33Å; F77-R130 HydrophobicContact CE1-CB 4.18Å; F77-R130 HydrophobicContact CE2-CB 4.3Å; F77-R130 HydrophobicContact CG-CB 4.28Å; F77-R130 HydrophobicContact CG-CG 4.27Å; F77-R130 HydrophobicContact CZ-CB 4.23Å; R130-R134 VanDerWaalsContact O-CB 3.32Å; R130-R134 WeakPolarHBondContact O-CB 3.49Å; R130-R134 PolarHBondContact O-N 3.33Å
131	D	87.6	Confident	83	Confident	70 Å²	70	53.8 Å²	53.8	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-81.1	-35.4	-170.1	-62.7	-31.8	0	0	0	110.9	D129 R134 K135	D129-D131 VanDerWaalsContact C-N 3.32Å; D129-D131 PolarHBondContact O-N 3.02Å; D129-D131 WeakPolarHBondContact OD1-CA 3.38Å; D129-D131 PolarHBondContact OD1-N 3.27Å; D131-R134 IonicContact OD1-CZ 2.67Å; D131-R134 IonicContact OD1-NH1 2.67Å; D131-R134 PolarHBondContact OD1-NH1 2.92Å; D131-R134 IonicContact OD1-NH2 3.28Å; D131-R134 PolarHBondContact OD1-NH2 2.77Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 VanDerWaalsContact O-N 3.08Å
132	L	87.8	Confident	83.6	Confident	54 Å²	54	52 Å²	52	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-44.9	166.2	-70.7	175.5	0	0	0	112	V118 L128 D129 K135 C136	V118-L132 HydrophobicContact CG1-CD1 4.33Å; V118-L132 HydrophobicContact CG2-CD2 4.5Å; L128-L132 HydrophobicContact CD2-CB 4.27Å; D129-L132 WeakPolarHBondContact OD1-CB 3.48Å; D129-L132 PolarHBondContact OD1-N 3.45Å; D129-L132 WeakPolarHBondContact OD2-CD1 3.32Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 2.84Å; L132-C136 PolarHBondContact O-N 3.45Å; L132-C136 PolarHBondContact O-SG 2.78Å
133	F	89.9	Confident	84.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-49.4	176.5	-178.7	-92.5	0	0	0	111.1	L76 F77 I80 I87 F92 M115 L128 D129 K135 C136 V137	L76-F133 HydrophobicContact CB-CE1 4.26Å; L76-F133 HydrophobicContact CD2-CE1 4.15Å; L76-F133 HydrophobicContact CD2-CZ 4.11Å; L76-F133 HydrophobicContact CG-CE1 4.02Å; L76-F133 HydrophobicContact CG-CZ 4.02Å; F77-F133 HydrophobicContact CB-CD1 3.75Å; F77-F133 HydrophobicContact CB-CE1 4.05Å; F77-F133 HydrophobicContact CB-CG 4.43Å; F77-F133 HydrophobicContact CD2-CB 3.67Å; F77-F133 AromaticContact CD2-CD1 3.94Å; F77-F133 HydrophobicContact CD2-CD1 3.94Å; F77-F133 HydrophobicContact CD2-CD2 4.39Å; F77-F133 AromaticContact CD2-CG 3.75Å; F77-F133 HydrophobicContact CD2-CG 3.75Å; F77-F133 HydrophobicContact CE2-CB 4.24Å; F77-F133 HydrophobicContact CG-CD1 4.37Å; I80-F133 HydrophobicContact CD1-CZ 4.02Å; I87-F133 HydrophobicContact CD1-CD2 4.15Å; I87-F133 HydrophobicContact CD1-CE2 4.2Å; F92-F133 AromaticContact CD2-CE2 3.69Å; F92-F133 HydrophobicContact CD2-CE2 3.69Å; F92-F133 HydrophobicContact CD2-CZ 4.18Å; F92-F133 AromaticContact CE2-CE2 3.98Å; F92-F133 HydrophobicContact CE2-CE2 3.98Å; F92-F133 HydrophobicContact CE2-CZ 4.14Å; F92-F133 HydrophobicContact CG-CE2 4.43Å; M115-F133 HydrophobicContact CE-CD2 4.46Å; M115-F133 HydrophobicContact CE-CE2 4.37Å; L128-F133 HydrophobicContact CB-CB 4.3Å; L128-F133 HydrophobicContact CD1-CD2 3.94Å; D129-F133 WeakPolarHBondContact O-CB 3.41Å; D129-F133 PolarHBondContact O-N 3.2Å; F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 2.89Å; F133-C136 PolarHBondContact O-N 3.44Å; F133-C136 VanDerWaalsContact O-N 3.08Å; F133-V137 HydrophobicContact CD1-CG1 4.21Å; F133-V137 HydrophobicContact CD1-CG2 4.14Å; F133-V137 HydrophobicContact CD2-CG1 4.4Å; F133-V137 HydrophobicContact CE1-CB 4.49Å; F133-V137 HydrophobicContact CE1-CG1 3.75Å; F133-V137 HydrophobicContact CE1-CG2 3.94Å; F133-V137 HydrophobicContact CE2-CG1 3.95Å; F133-V137 HydrophobicContact CZ-CG1 3.61Å; F133-V137 WeakPolarHBondContact O-CG2 3.29Å; F133-V137 PolarHBondContact O-N 3.27Å
134	R	88.4	Confident	86.3	Confident	63 Å²	63	44.8 Å²	44.8	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-41	176.9	-176.1	175.5	62.7	-108.8	-7.5	111.8	S70 D74 R130 D131 S138	S70-R134 WeakPolarHBondContact OG-CD 3.07Å; D74-R134 IonicContact OD1-CZ 3.51Å; D74-R134 IonicContact OD1-NH1 3.65Å; D74-R134 PolarHBondContact OD1-NH1 3Å; D74-R134 IonicContact OD2-NH1 3.24Å; R130-R134 VanDerWaalsContact O-CB 3.32Å; R130-R134 WeakPolarHBondContact O-CB 3.49Å; R130-R134 PolarHBondContact O-N 3.33Å; D131-R134 IonicContact OD1-CZ 2.67Å; D131-R134 IonicContact OD1-NH1 2.67Å; D131-R134 PolarHBondContact OD1-NH1 2.92Å; D131-R134 IonicContact OD1-NH2 3.28Å; D131-R134 PolarHBondContact OD1-NH2 2.77Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.94Å
135	K	88	Confident	87.7	Confident	108 Å²	108	43.1 Å²	43.1	47%	0.47	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-51.3	173.6	-175.9	-178.8	173.2	-174	0	111.2	E114 R117 D131 L132 F133 V137 S138	E114-K135 WeakPolarHBondContact OE2-CE 3.16Å; R117-K135 VanDerWaalsContact NH2-NZ 3.12Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 VanDerWaalsContact O-N 3.08Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 2.84Å; F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 2.89Å; K135-V137 PolarHBondContact O-N 3.27Å; K135-S138 PolarHBondContact O-N 3.35Å; K135-S138 PolarHBondContact O-OG 2.73Å
136	C	89.4	Confident	89	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-45.2	-178.9	-63	0	0	0	0	113.1	C111 E114 M115 L132 F133	C111-C136 WeakPolarHBondContact CA-O 3.47Å; E114-C136 HydrophobicContact CB-CB 4.34Å; M115-C136 HydrophobicContact CE-CB 3.86Å; M115-C136 HydrophobicContact CG-CB 3.8Å; L132-C136 PolarHBondContact O-N 3.45Å; L132-C136 PolarHBondContact O-SG 2.78Å; F133-C136 PolarHBondContact O-N 3.44Å; F133-C136 VanDerWaalsContact O-N 3.08Å
137	V	90.8	Very high	89.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-82.4	-11.5	-175.1	-57.4	0	0	0	0	114.2	M115 F133 K135 S139 N140 I141 L144	M115-V137 HydrophobicContact CE-CG1 4.2Å; F133-V137 HydrophobicContact CD1-CG1 4.21Å; F133-V137 HydrophobicContact CD1-CG2 4.14Å; F133-V137 HydrophobicContact CD2-CG1 4.4Å; F133-V137 HydrophobicContact CE1-CB 4.49Å; F133-V137 HydrophobicContact CE1-CG1 3.75Å; F133-V137 HydrophobicContact CE1-CG2 3.94Å; F133-V137 HydrophobicContact CE2-CG1 3.95Å; F133-V137 HydrophobicContact CZ-CG1 3.61Å; F133-V137 WeakPolarHBondContact O-CG2 3.29Å; F133-V137 PolarHBondContact O-N 3.27Å; K135-V137 PolarHBondContact O-N 3.27Å; V137-S139 PolarHBondContact O-N 3.13Å; V137-N140 CarbonylContact O-C 3.56Å; V137-N140 PolarHBondContact O-N 3.18Å; V137-I141 HydrophobicContact CB-CD1 4.5Å; V137-I141 HydrophobicContact CG2-CD1 3.99Å; V137-I141 WeakPolarHBondContact O-CA 3.45Å; V137-I141 WeakPolarHBondContact O-CB 3.18Å; V137-I141 PolarHBondContact O-N 3Å; V137-L144 HydrophobicContact CB-CD1 3.75Å; V137-L144 HydrophobicContact CG1-CD1 3.77Å
138	S	87.3	Confident	90	Very high	66 Å²	66	42.1 Å²	42.1	46%	0.462	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-52.2	-48.4	-169.1	58.8	0	0	0	0	114.3	R134 K135 N140 I141	R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.94Å; K135-S138 PolarHBondContact O-N 3.35Å; K135-S138 PolarHBondContact O-OG 2.73Å; S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact O-N 2.77Å; S138-I141 WeakPolarHBondContact O-CG2 3.46Å
139	S	88.1	Confident	90.2	Very high	79 Å²	79	49.6 Å²	49.6	55%	0.552	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65	-26.4	179.9	-54.3	0	0	0	0	114.2	V137	V137-S139 PolarHBondContact O-N 3.13Å
140	N	91.9	Very high	90.3	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.102	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-122.8	12.8	-169.8	-44.3	128	0	0	0	112.9	R107 L108 C111 V137 S138 V142 L143 L144	R107-N140 PolarHBondContact O-ND2 2.85Å; L108-N140 HydrophobicContact CD2-CB 4.09Å; C111-N140 HydrophobicContact CB-CB 4.45Å; C111-N140 WeakPolarHBondContact CB-OD1 3.24Å; C111-N140 PolarHBondContact N-OD1 2.89Å; V137-N140 CarbonylContact O-C 3.56Å; V137-N140 PolarHBondContact O-N 3.18Å; S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact O-N 2.77Å; N140-V142 PolarHBondContact O-N 3.19Å; N140-V142 VanDerWaalsContact O-N 3.15Å; N140-L143 PolarHBondContact O-N 3.11Å; N140-L144 HydrophobicContact CB-CD1 4.47Å; N140-L144 PolarHBondContact O-N 3.26Å; N140-L144 VanDerWaalsContact O-N 3.15Å
141	I	90.7	Very high	90.4	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-30.5	-171.8	-173	56.5	0	0	0	113.5	L69 L72 L76 V137 S138 T145	L69-I141 HydrophobicContact CD2-CG2 3.7Å; L72-I141 HydrophobicContact CB-CD1 4.45Å; L72-I141 HydrophobicContact CB-CG1 4Å; L76-I141 HydrophobicContact CB-CD1 4.34Å; L76-I141 HydrophobicContact CD2-CD1 3.66Å; V137-I141 HydrophobicContact CB-CD1 4.5Å; V137-I141 HydrophobicContact CG2-CD1 3.99Å; V137-I141 WeakPolarHBondContact O-CA 3.45Å; V137-I141 WeakPolarHBondContact O-CB 3.18Å; V137-I141 PolarHBondContact O-N 3Å; S138-I141 WeakPolarHBondContact O-CG2 3.46Å; I141-T145 WeakPolarHBondContact O-CB 3.24Å; I141-T145 PolarHBondContact O-N 3.15Å; I141-T145 PolarHBondContact O-OG1 3.47Å
142	V	91.3	Very high	90.8	Very high	92 Å²	92	49.7 Å²	49.7	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-65.8	-48.3	179.1	-179.5	0	0	0	0	111.2	N140 T145 Q146	N140-V142 PolarHBondContact O-N 3.19Å; N140-V142 VanDerWaalsContact O-N 3.15Å; V142-T145 PolarHBondContact O-N 3.05Å; V142-Q146 WeakPolarHBondContact O-CG 3.37Å; V142-Q146 PolarHBondContact O-N 3Å
143	L	93.9	Very high	91.3	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-44.7	178	177.3	61.3	0	0	0	111.1	L101 R107 L108 N140 T145 Q146 A147 F152	L101-L143 HydrophobicContact CD1-CG 4.39Å; R107-L143 HydrophobicContact CB-CD2 3.65Å; L108-L143 HydrophobicContact CD2-CD2 3.86Å; L108-L143 HydrophobicContact CG-CD2 4.27Å; N140-L143 PolarHBondContact O-N 3.11Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 2.8Å; L143-Q146 WeakPolarHBondContact O-CB 3.32Å; L143-Q146 PolarHBondContact O-N 3.16Å; L143-Q146 VanDerWaalsContact O-N 3.16Å; L143-A147 PolarHBondContact O-N 3.38Å; L143-F152 HydrophobicContact CD1-CE1 3.89Å; L143-F152 HydrophobicContact CD1-CZ 3.75Å
144	L	93.5	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-41.4	176.1	-65.2	170.1	0	0	0	111.3	L76 F92 L96 L108 V137 N140 Q146 A147 F148	L76-L144 HydrophobicContact CD2-CB 3.89Å; L76-L144 HydrophobicContact CD2-CD1 4.5Å; F92-L144 HydrophobicContact CZ-CD1 4.48Å; F92-L144 HydrophobicContact CZ-CD2 4.11Å; L96-L144 HydrophobicContact CD1-CD2 3.78Å; L108-L144 HydrophobicContact CD2-CD2 3.91Å; L108-L144 HydrophobicContact CD2-CG 4.21Å; V137-L144 HydrophobicContact CB-CD1 3.75Å; V137-L144 HydrophobicContact CG1-CD1 3.77Å; N140-L144 HydrophobicContact CB-CD1 4.47Å; N140-L144 PolarHBondContact O-N 3.26Å; N140-L144 VanDerWaalsContact O-N 3.15Å; L144-Q146 VanDerWaalsContact C-N 3.29Å; L144-Q146 PolarHBondContact O-N 3.26Å; L144-A147 PolarHBondContact O-N 2.97Å; L144-F148 HydrophobicContact CB-CD2 4.46Å; L144-F148 HydrophobicContact CD2-CE2 4.23Å; L144-F148 VanDerWaalsContact O-CD2 3.3Å; L144-F148 WeakPolarHBondContact O-CD2 3.44Å; L144-F148 PolarHBondContact O-N 3.36Å
145	T	91.1	Very high	91.8	Very high	22 Å²	22	46.6 Å²	46.6	14%	0.135	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-33.7	175.6	-62.2	0	0	0	0	112	L72 I141 V142 L143 R149	L72-T145 HydrophobicContact CD2-CG2 4.39Å; I141-T145 WeakPolarHBondContact O-CB 3.24Å; I141-T145 PolarHBondContact O-N 3.15Å; I141-T145 PolarHBondContact O-OG1 3.47Å; V142-T145 PolarHBondContact O-N 3.05Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 2.8Å; T145-R149 HydrophobicContact CG2-CG 4.35Å; T145-R149 WeakPolarHBondContact O-CB 3.43Å; T145-R149 WeakPolarHBondContact O-CD 3.32Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.87Å
146	Q	92	Very high	92.1	Very high	80 Å²	80	43.2 Å²	43.2	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-46.2	172.9	-71.9	168.7	-28.3	0	0	111.4	V142 L143 L144 R149 K150 K151 F152	V142-Q146 WeakPolarHBondContact O-CG 3.37Å; V142-Q146 PolarHBondContact O-N 3Å; L143-Q146 WeakPolarHBondContact O-CB 3.32Å; L143-Q146 PolarHBondContact O-N 3.16Å; L143-Q146 VanDerWaalsContact O-N 3.16Å; L144-Q146 VanDerWaalsContact C-N 3.29Å; L144-Q146 PolarHBondContact O-N 3.26Å; Q146-R149 PolarHBondContact O-N 3Å; Q146-K150 PolarHBondContact O-N 3.02Å; Q146-K151 HydrophobicContact CB-CB 4.34Å; Q146-K151 WeakPolarHBondContact O-CB 3.41Å; Q146-K151 PolarHBondContact O-N 2.88Å; Q146-F152 HydrophobicContact CB-CD1 4.2Å; Q146-F152 HydrophobicContact CB-CE1 3.72Å; Q146-F152 HydrophobicContact CB-CZ 4.5Å
147	A	93.6	Very high	92.4	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-58	179.6	0	0	0	0	0	112.3	T99 L101 L143 L144 R149 K150 F152	T99-A147 HydrophobicContact CG2-CB 4Å; L101-A147 HydrophobicContact CD1-CB 3.89Å; L143-A147 PolarHBondContact O-N 3.38Å; L144-A147 PolarHBondContact O-N 2.97Å; A147-R149 VanDerWaalsContact C-N 3.27Å; A147-R149 PolarHBondContact O-N 3.26Å; A147-K150 PolarHBondContact O-N 3.37Å; A147-K150 VanDerWaalsContact O-N 3.11Å; A147-F152 VanDerWaalsContact CA-CE2 3.42Å; A147-F152 HydrophobicContact CB-CD2 4.28Å; A147-F152 HydrophobicContact CB-CE1 4.46Å; A147-F152 HydrophobicContact CB-CE2 3.35Å; A147-F152 HydrophobicContact CB-CZ 3.48Å; A147-F152 VanDerWaalsContact CB-CZ 3.48Å
148	F	91.7	Very high	92.5	Very high	41 Å²	41	49.6 Å²	49.6	18%	0.18	25%	0.251	C	S	.	.	H	α-helix	trans	-72.8	-16.9	-175.6	-74.1	-76.8	0	0	0	113.9	L76 I80 F92 A95 L96 L144 K150	L76-F148 HydrophobicContact CD1-CB 3.73Å; L76-F148 HydrophobicContact CD1-CD2 3.53Å; L76-F148 HydrophobicContact CD1-CE2 4.27Å; L76-F148 HydrophobicContact CD1-CG 3.67Å; I80-F148 HydrophobicContact CD1-CD1 4.27Å; I80-F148 HydrophobicContact CD1-CD2 4.4Å; I80-F148 HydrophobicContact CD1-CE1 3.89Å; I80-F148 HydrophobicContact CD1-CE2 4.03Å; I80-F148 HydrophobicContact CD1-CZ 3.76Å; I80-F148 HydrophobicContact CG1-CD1 4.26Å; I80-F148 HydrophobicContact CG1-CE1 4.01Å; I80-F148 HydrophobicContact CG1-CZ 4.37Å; F92-F148 HydrophobicContact CD2-CZ 4.49Å; F92-F148 HydrophobicContact CE2-CE2 4.1Å; F92-F148 HydrophobicContact CE2-CZ 4.23Å; A95-F148 HydrophobicContact CB-CE1 3.81Å; A95-F148 HydrophobicContact CB-CZ 4.31Å; L96-F148 HydrophobicContact CB-CZ 4.38Å; L96-F148 HydrophobicContact CD1-CE2 4.42Å; L144-F148 HydrophobicContact CB-CD2 4.46Å; L144-F148 HydrophobicContact CD2-CE2 4.23Å; L144-F148 VanDerWaalsContact O-CD2 3.3Å; L144-F148 WeakPolarHBondContact O-CD2 3.44Å; L144-F148 PolarHBondContact O-N 3.36Å; F148-K150 VanDerWaalsContact C-N 3.33Å
149	R	89.5	Confident	92.8	Very high	157 Å²	157	51.7 Å²	51.7	59%	0.592	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	14.6	171.2	-65.2	-177.2	64.5	172.9	4.9	113.6	T145 Q146 A147 K151	T145-R149 HydrophobicContact CG2-CG 4.35Å; T145-R149 WeakPolarHBondContact O-CB 3.43Å; T145-R149 WeakPolarHBondContact O-CD 3.32Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.87Å; Q146-R149 PolarHBondContact O-N 3Å; A147-R149 VanDerWaalsContact C-N 3.27Å; A147-R149 PolarHBondContact O-N 3.26Å; R149-K151 HydrophobicContact CB-CG 4.09Å; R149-K151 PolarHBondContact O-N 3.23Å; R149-K151 VanDerWaalsContact O-N 3.1Å
150	K	90.8	Very high	93.2	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.3	-178.8	-67.8	-166.5	176	-168.2	0	114	Q146 A147 F148 F152 P155 D156 E478	Q146-K150 PolarHBondContact O-N 3.02Å; A147-K150 PolarHBondContact O-N 3.37Å; A147-K150 VanDerWaalsContact O-N 3.11Å; F148-K150 VanDerWaalsContact C-N 3.33Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-P155 HydrophobicContact CB-CB 4.12Å; K150-P155 HydrophobicContact CD-CB 4.47Å; K150-D156 IonicContact NZ-OD1 3.66Å; K150-D156 PolarHBondContact NZ-OD1 3.39Å; K150-E478 WeakPolarHBondContact CB-OE1 3.34Å; K150-E478 HydrophobicContact CD-CG 4.33Å
151	K	92	Very high	93.4	Very high	131 Å²	131	48 Å²	48	57%	0.57	23%	0.229	S	C	*	.			trans	-85.9	-1.1	-177.5	-72.4	-164.4	169.6	-163.2	0	114.5	Q146 R149	Q146-K151 HydrophobicContact CB-CB 4.34Å; Q146-K151 WeakPolarHBondContact O-CB 3.41Å; Q146-K151 PolarHBondContact O-N 2.88Å; R149-K151 HydrophobicContact CB-CG 4.09Å; R149-K151 PolarHBondContact O-N 3.23Å; R149-K151 VanDerWaalsContact O-N 3.1Å
152	F	96	Very high	93.7	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.039	24%	0.241	C	C	.	.	S	Bend	trans	-70.2	157.7	172.6	-65.3	-27	0	0	0	111.8	L101 L143 Q146 A147 K150 I154 P155 D202 Q204	L101-F152 HydrophobicContact CD1-CE2 3.84Å; L101-F152 HydrophobicContact CD1-CZ 3.86Å; L101-F152 HydrophobicContact CD2-CE2 4.18Å; L101-F152 HydrophobicContact CD2-CZ 4.3Å; L101-F152 HydrophobicContact CG-CE2 3.83Å; L101-F152 HydrophobicContact CG-CZ 4.21Å; L143-F152 HydrophobicContact CD1-CE1 3.89Å; L143-F152 HydrophobicContact CD1-CZ 3.75Å; Q146-F152 HydrophobicContact CB-CD1 4.2Å; Q146-F152 HydrophobicContact CB-CE1 3.72Å; Q146-F152 HydrophobicContact CB-CZ 4.5Å; A147-F152 VanDerWaalsContact CA-CE2 3.42Å; A147-F152 HydrophobicContact CB-CD2 4.28Å; A147-F152 HydrophobicContact CB-CE1 4.46Å; A147-F152 HydrophobicContact CB-CE2 3.35Å; A147-F152 HydrophobicContact CB-CZ 3.48Å; A147-F152 VanDerWaalsContact CB-CZ 3.48Å; K150-F152 VanDerWaalsContact C-N 3.33Å; F152-I154 PolarHBondContact O-N 3.41Å; F152-I154 VanDerWaalsContact O-N 3.09Å; F152-P155 WeakPolarHBondContact O-CD 3.45Å; F152-D202 WeakPolarHBondContact CA-OD2 3.5Å; F152-D202 HydrophobicContact CB-CB 4.13Å; F152-D202 HydrophobicContact CD1-CB 3.43Å; F152-D202 VanDerWaalsContact CD1-CB 3.43Å; F152-D202 HydrophobicContact CD2-CB 4.49Å; F152-D202 HydrophobicContact CE1-CB 3.86Å; F152-D202 HydrophobicContact CG-CB 3.79Å; F152-Q204 HydrophobicContact CB-CG 4.37Å; F152-Q204 HydrophobicContact CD2-CG 3.6Å; F152-Q204 HydrophobicContact CE2-CG 4.15Å; F152-Q204 HydrophobicContact CG-CG 4.23Å
153	V	96.6	Very high	94	Very high	29 Å²	29	46 Å²	46	18%	0.176	22%	0.22	C	C	.	.	S	Bend	trans	-59.1	-20.1	-178.2	71.7	0	0	0	0	113.6	T200 V201 D202 N427 V428 R476	V153-T200 HydrophobicContact CG1-CG2 4.31Å; V153-V201 HydrophobicContact CB-CG2 4.21Å; V153-V201 HydrophobicContact CG1-CG2 3.95Å; V153-V201 HydrophobicContact CG2-CG2 4.47Å; V153-D202 WeakPolarHBondContact CB-OD2 3.41Å; V153-D202 WeakPolarHBondContact CG1-OD2 3.43Å; V153-D202 PolarHBondContact N-OD2 3.09Å; V153-N427 WeakPolarHBondContact CG2-O 3.46Å; V153-V428 HydrophobicContact CG2-CB 4.41Å; V153-V428 HydrophobicContact CG2-CG1 4.28Å; V153-V428 HydrophobicContact CG2-CG2 4.35Å; V153-R476 HydrophobicContact CG2-CG 4.25Å; V153-R476 VanDerWaalsContact O-CA 3.29Å; V153-R476 WeakPolarHBondContact O-CA 3.14Å; V153-R476 WeakPolarHBondContact O-CG 3.36Å
154	I	96.4	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-123.8	97.9	164.7	-61.8	179.6	0	0	0	108.1	F152 F157 F160 T200 Q204 V428 P475	F152-I154 PolarHBondContact O-N 3.41Å; F152-I154 VanDerWaalsContact O-N 3.09Å; I154-F157 HydrophobicContact CB-CD2 4.23Å; I154-F157 HydrophobicContact CG2-CB 4.46Å; I154-F157 HydrophobicContact CG2-CD2 4.03Å; I154-F160 HydrophobicContact CD1-CD1 3.69Å; I154-F160 HydrophobicContact CD1-CD2 4.3Å; I154-F160 HydrophobicContact CD1-CE1 3.59Å; I154-F160 HydrophobicContact CD1-CE2 4.23Å; I154-F160 HydrophobicContact CD1-CG 4.05Å; I154-F160 HydrophobicContact CD1-CZ 3.89Å; I154-F160 HydrophobicContact CG2-CB 3.83Å; I154-F160 HydrophobicContact CG2-CD1 4.14Å; I154-F160 HydrophobicContact CG2-CG 4.01Å; I154-T200 HydrophobicContact CD1-CG2 3.97Å; I154-T200 HydrophobicContact CG1-CG2 4.42Å; I154-Q204 PolarHBondContact O-NE2 2.91Å; I154-V428 HydrophobicContact CD1-CG1 4.35Å; I154-V428 HydrophobicContact CG1-CG1 4.47Å; I154-P475 WeakPolarHBondContact CA-O 3.3Å; I154-P475 HydrophobicContact CG1-CB 4.42Å; I154-P475 HydrophobicContact CG2-CB 4.23Å
155	P	93.5	Very high	94.4	Very high	22 Å²	22	47.7 Å²	47.7	14%	0.143	23%	0.23	C	C	.	.	S	Bend	trans	-60.5	-50.6	179.8	-30.8	40	0	0	0	114.1	K150 F152 F157 P475 E478	K150-P155 HydrophobicContact CB-CB 4.12Å; K150-P155 HydrophobicContact CD-CB 4.47Å; F152-P155 WeakPolarHBondContact O-CD 3.45Å; P155-F157 PolarHBondContact O-N 3.01Å; P155-P475 VanDerWaalsContact CD-O 3.27Å; P155-P475 WeakPolarHBondContact CD-O 3.19Å; P155-E478 HydrophobicContact CB-CG 3.55Å; P155-E478 HydrophobicContact CG-CG 4.09Å
156	D	93.3	Very high	94.8	Very high	37 Å²	37	53.4 Å²	53.4	20%	0.198	25%	0.248	C	C	.	.	S	Bend	trans	-98.4	66.9	-175.4	-64.9	-43.6	0	0	0	110.1	K150 E158 E159 F160 E478 G479	K150-D156 IonicContact NZ-OD1 3.66Å; K150-D156 PolarHBondContact NZ-OD1 3.39Å; D156-E158 PolarHBondContact O-N 3.29Å; D156-E159 PolarHBondContact O-N 2.93Å; D156-F160 PolarHBondContact O-N 3.17Å; D156-E478 VanDerWaalsContact OD2-CA 3.25Å; D156-E478 WeakPolarHBondContact OD2-CA 3.45Å; D156-G479 PolarHBondContact OD2-N 3.47Å
157	F	95.6	Very high	95.1	Very high	9 Å²	9	50 Å²	50	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-169.1	-167	-104.3	0	0	0	113.8	G100 I154 P155 E159 F160 T161 L198 T200 Q204 H206	G100-F157 VanDerWaalsContact CA-CE1 3.48Å; I154-F157 HydrophobicContact CB-CD2 4.23Å; I154-F157 HydrophobicContact CG2-CB 4.46Å; I154-F157 HydrophobicContact CG2-CD2 4.03Å; P155-F157 PolarHBondContact O-N 3.01Å; F157-E159 PolarHBondContact O-N 2.95Å; F157-F160 HydrophobicContact CD2-CD1 4.3Å; F157-F160 HydrophobicContact CE2-CD1 4.26Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 3.42Å; F157-T161 HydrophobicContact CD1-CG2 3.85Å; F157-T161 HydrophobicContact CE1-CG2 3.52Å; F157-T161 HydrophobicContact CE2-CG2 4.39Å; F157-T161 HydrophobicContact CG-CG2 4.44Å; F157-T161 HydrophobicContact CZ-CG2 3.83Å; F157-T161 WeakPolarHBondContact O-CG2 3.45Å; F157-T161 PolarHBondContact O-N 2.72Å; F157-T161 PolarHBondContact O-OG1 3.06Å; F157-L198 HydrophobicContact CE2-CD1 3.97Å; F157-L198 HydrophobicContact CZ-CD1 3.83Å; F157-T200 HydrophobicContact CE2-CG2 3.96Å; F157-Q204 HydrophobicContact CD2-CB 3.82Å; F157-Q204 HydrophobicContact CD2-CG 4.39Å; F157-Q204 HydrophobicContact CE1-CB 4.37Å; F157-Q204 HydrophobicContact CE2-CB 3.52Å; F157-Q204 HydrophobicContact CG-CB 4.39Å; F157-Q204 HydrophobicContact CZ-CB 3.81Å; F157-H206 HydrophobicContact CE1-CB 4.16Å; F157-H206 HydrophobicContact CZ-CB 4.03Å
158	E	93.7	Very high	95.3	Very high	127 Å²	127	50 Å²	50	59%	0.593	23%	0.232	S	C	*	.	H	α-helix	trans	-60.9	-43.7	180	-65.5	-171.1	147.5	0	0	112.4	A98 D156 T161 G162	A98-E158 WeakPolarHBondContact CA-OE1 3.45Å; A98-E158 HydrophobicContact CB-CG 4.48Å; A98-E158 WeakPolarHBondContact CB-OE1 3.16Å; D156-E158 PolarHBondContact O-N 3.29Å; E158-T161 WeakPolarHBondContact CA-OG1 3.26Å; E158-T161 PolarHBondContact O-N 2.9Å; E158-T161 PolarHBondContact O-OG1 3.09Å; E158-G162 PolarHBondContact O-N 2.83Å
159	E	93.2	Very high	95.6	Very high	111 Å²	111	52.4 Å²	52.4	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-47.8	176.1	-177.2	178.4	-176.7	0	0	110.6	D156 F157 T161 G162 H163	D156-E159 PolarHBondContact O-N 2.93Å; F157-E159 PolarHBondContact O-N 2.95Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 3.43Å; E159-G162 PolarHBondContact O-N 3.35Å; E159-H163 PolarHBondContact O-CD2 3.4Å; E159-H163 VanDerWaalsContact O-CD2 3.28Å; E159-H163 PolarHBondContact O-N 3.35Å; E159-H163 VanDerWaalsContact O-N 3.11Å
160	F	96	Very high	95.9	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.022	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-44.6	175.3	169.3	-104.9	0	0	0	112.1	I154 D156 F157 G162 H163 V164 L198 M429 F458 F460 P475	I154-F160 HydrophobicContact CD1-CD1 3.69Å; I154-F160 HydrophobicContact CD1-CD2 4.3Å; I154-F160 HydrophobicContact CD1-CE1 3.59Å; I154-F160 HydrophobicContact CD1-CE2 4.23Å; I154-F160 HydrophobicContact CD1-CG 4.05Å; I154-F160 HydrophobicContact CD1-CZ 3.89Å; I154-F160 HydrophobicContact CG2-CB 3.83Å; I154-F160 HydrophobicContact CG2-CD1 4.14Å; I154-F160 HydrophobicContact CG2-CG 4.01Å; D156-F160 PolarHBondContact O-N 3.17Å; F157-F160 HydrophobicContact CD2-CD1 4.3Å; F157-F160 HydrophobicContact CE2-CD1 4.26Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 3.42Å; F160-G162 PolarHBondContact O-N 3.24Å; F160-H163 WeakPolarHBondContact O-CB 3.38Å; F160-H163 PolarHBondContact O-N 3.09Å; F160-H163 VanDerWaalsContact O-N 3.15Å; F160-V164 HydrophobicContact CE1-CG2 4.05Å; F160-V164 HydrophobicContact CE2-CG2 4.11Å; F160-V164 HydrophobicContact CZ-CG2 3.78Å; F160-V164 PolarHBondContact O-N 3.06Å; F160-V164 VanDerWaalsContact O-N 3.08Å; F160-L198 HydrophobicContact CE1-CD1 4.25Å; F160-L198 HydrophobicContact CE1-CD2 3.81Å; F160-L198 HydrophobicContact CZ-CD2 4.29Å; F160-M429 HydrophobicContact CE1-SD 4.25Å; F160-M429 HydrophobicContact CZ-CE 3.91Å; F160-M429 HydrophobicContact CZ-SD 3.77Å; F160-F458 AromaticContact CD2-CE1 3.9Å; F160-F458 HydrophobicContact CD2-CE1 3.9Å; F160-F458 HydrophobicContact CD2-CE2 4.14Å; F160-F458 AromaticContact CD2-CZ 3.54Å; F160-F458 HydrophobicContact CD2-CZ 3.54Å; F160-F458 HydrophobicContact CE2-CD2 4.39Å; F160-F458 HydrophobicContact CE2-CE1 4.23Å; F160-F458 AromaticContact CE2-CE2 3.82Å; F160-F458 HydrophobicContact CE2-CE2 3.82Å; F160-F458 AromaticContact CE2-CZ 3.71Å; F160-F458 HydrophobicContact CE2-CZ 3.71Å; F160-F460 HydrophobicContact CE2-CE2 4.08Å; F160-F460 HydrophobicContact CE2-CZ 4.04Å; F160-P475 HydrophobicContact CB-CB 4.41Å; F160-P475 HydrophobicContact CD2-CB 3.77Å; F160-P475 HydrophobicContact CD2-CG 3.94Å; F160-P475 HydrophobicContact CE2-CB 4.46Å; F160-P475 HydrophobicContact CE2-CG 4.16Å; F160-P475 HydrophobicContact CG-CB 4.3Å
161	T	97.2	Very high	96.2	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-38.5	176.8	52.1	0	0	0	0	112.6	F157 E158 E159 H163 V164 D165 H206	F157-T161 HydrophobicContact CD1-CG2 3.85Å; F157-T161 HydrophobicContact CE1-CG2 3.52Å; F157-T161 HydrophobicContact CE2-CG2 4.39Å; F157-T161 HydrophobicContact CG-CG2 4.44Å; F157-T161 HydrophobicContact CZ-CG2 3.83Å; F157-T161 WeakPolarHBondContact O-CG2 3.45Å; F157-T161 PolarHBondContact O-N 2.72Å; F157-T161 PolarHBondContact O-OG1 3.06Å; E158-T161 WeakPolarHBondContact CA-OG1 3.26Å; E158-T161 PolarHBondContact O-N 2.9Å; E158-T161 PolarHBondContact O-OG1 3.09Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 3.43Å; T161-H163 PolarHBondContact O-N 3.11Å; T161-V164 WeakPolarHBondContact O-CA 3.37Å; T161-V164 WeakPolarHBondContact O-CB 3.38Å; T161-V164 PolarHBondContact O-N 3.36Å; T161-D165 VanDerWaalsContact O-CG 3.31Å; T161-D165 PolarHBondContact O-N 3.27Å; T161-H206 HydrophobicContact CG2-CB 3.46Å; T161-H206 VanDerWaalsContact CG2-CB 3.46Å; T161-H206 VanDerWaalsContact CG2-CD2 3.48Å; T161-H206 WeakPolarHBondContact CG2-CD2 3.3Å
162	G	97.4	Very high	96.4	Very high	27 Å²	27	42.5 Å²	42.5	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-65.7	-19.5	174	0	0	0	0	0	114.1	E158 E159 F160 R166	E158-G162 PolarHBondContact O-N 2.83Å; E159-G162 PolarHBondContact O-N 3.35Å; F160-G162 PolarHBondContact O-N 3.24Å; G162-R166 PolarHBondContact O-NE 2.95Å; G162-R166 PolarHBondContact O-NH2 3.35Å
163	H	97.3	Very high	96.3	Very high	26 Å²	26	49.8 Å²	49.8	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-79.7	-39.7	166.1	-80.9	-82	0	0	0	112.4	E159 F160 T161 D165 R166 I167 L457 F458	E159-H163 PolarHBondContact O-CD2 3.4Å; E159-H163 VanDerWaalsContact O-CD2 3.28Å; E159-H163 PolarHBondContact O-N 3.35Å; E159-H163 VanDerWaalsContact O-N 3.11Å; F160-H163 WeakPolarHBondContact O-CB 3.38Å; F160-H163 PolarHBondContact O-N 3.09Å; F160-H163 VanDerWaalsContact O-N 3.15Å; T161-H163 PolarHBondContact O-N 3.11Å; H163-D165 VanDerWaalsContact C-N 3.35Å; H163-R166 PolarHBondContact CD2-NH2 3.3Å; H163-R166 VanDerWaalsContact CD2-NH2 3.3Å; H163-R166 PolarHBondContact CE1-NH2 3.47Å; H163-R166 PolarHBondContact ND1-NH2 2.95Å; H163-R166 VanDerWaalsContact ND1-NH2 3.13Å; H163-R166 PolarHBondContact NE2-NH2 3.29Å; H163-R166 PolarHBondContact O-N 3.5Å; H163-I167 WeakPolarHBondContact O-CG1 3.47Å; H163-I167 PolarHBondContact O-N 2.94Å; H163-L457 HydrophobicContact CB-CD2 3.97Å; H163-L457 WeakPolarHBondContact ND1-CD2 3.49Å; H163-F458 HydrophobicContact CB-CE2 4.27Å; H163-F458 HydrophobicContact CB-CZ 3.65Å
164	V	98.1	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-42.1	175.1	171.1	0	0	0	0	111.4	F160 T161 R166 I167 F168 L198 F450	F160-V164 HydrophobicContact CE1-CG2 4.05Å; F160-V164 HydrophobicContact CE2-CG2 4.11Å; F160-V164 HydrophobicContact CZ-CG2 3.78Å; F160-V164 PolarHBondContact O-N 3.06Å; F160-V164 VanDerWaalsContact O-N 3.08Å; T161-V164 WeakPolarHBondContact O-CA 3.37Å; T161-V164 WeakPolarHBondContact O-CB 3.38Å; T161-V164 PolarHBondContact O-N 3.36Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.42Å; V164-I167 PolarHBondContact O-N 2.89Å; V164-F168 WeakPolarHBondContact O-CB 3.49Å; V164-F168 PolarHBondContact O-N 3.3Å; V164-L198 HydrophobicContact CG1-CD2 4.16Å; V164-L198 HydrophobicContact CG2-CD2 4Å; V164-F450 HydrophobicContact CG1-CE2 4.41Å; V164-F450 HydrophobicContact CG1-CZ 4.15Å
165	D	98.4	Very high	96	Very high	57 Å²	57	57 Å²	57	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-41.6	178.5	-68.4	-8.1	0	0	0	112.2	T161 H163 F168 E169 H206 V208	T161-D165 VanDerWaalsContact O-CG 3.31Å; T161-D165 PolarHBondContact O-N 3.27Å; H163-D165 VanDerWaalsContact C-N 3.35Å; D165-F168 WeakPolarHBondContact O-CB 3.25Å; D165-F168 PolarHBondContact O-N 3.3Å; D165-E169 PolarHBondContact O-N 3.45Å; D165-H206 IonicContact OD1-CD2 2.85Å; D165-H206 IonicContact OD1-CE1 2.7Å; D165-H206 IonicContact OD1-NE2 2.75Å; D165-H206 PolarHBondContact OD1-NE2 3.46Å; D165-H206 IonicContact OD2-NE2 3.07Å; D165-V208 WeakPolarHBondContact OD1-CG2 3.09Å
166	R	98.1	Very high	95.9	Very high	141 Å²	141	57.2 Å²	57.2	53%	0.532	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-45.8	174.3	-78.4	176.8	-80.2	169.6	-7.8	111.6	G162 H163 V164 F168 E169 D170	G162-R166 PolarHBondContact O-NE 2.95Å; G162-R166 PolarHBondContact O-NH2 3.35Å; H163-R166 PolarHBondContact CD2-NH2 3.3Å; H163-R166 VanDerWaalsContact CD2-NH2 3.3Å; H163-R166 PolarHBondContact CE1-NH2 3.47Å; H163-R166 PolarHBondContact ND1-NH2 2.95Å; H163-R166 VanDerWaalsContact ND1-NH2 3.13Å; H163-R166 PolarHBondContact NE2-NH2 3.29Å; H163-R166 PolarHBondContact O-N 3.5Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.42Å; R166-F168 VanDerWaalsContact C-N 3.27Å; R166-F168 PolarHBondContact O-N 3.48Å; R166-E169 PolarHBondContact O-N 2.93Å; R166-D170 VanDerWaalsContact O-CB 3.28Å; R166-D170 WeakPolarHBondContact O-CB 3.34Å; R166-D170 PolarHBondContact O-N 3.11Å
167	I	98.2	Very high	95.9	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-33.5	177	-59.1	162	0	0	0	111.3	H163 V164 A171 F450 K453 L454 L457 F458	H163-I167 WeakPolarHBondContact O-CG1 3.47Å; H163-I167 PolarHBondContact O-N 2.94Å; V164-I167 PolarHBondContact O-N 2.89Å; I167-A171 WeakPolarHBondContact O-CB 3.44Å; I167-A171 PolarHBondContact O-N 3.45Å; I167-A171 VanDerWaalsContact O-N 3.14Å; I167-F450 HydrophobicContact CB-CD2 4.27Å; I167-F450 HydrophobicContact CB-CE2 4.03Å; I167-F450 HydrophobicContact CG2-CD2 3.54Å; I167-F450 HydrophobicContact CG2-CE2 3.73Å; I167-F450 HydrophobicContact CG2-CG 4.18Å; I167-K453 HydrophobicContact CG1-CB 4.49Å; I167-K453 HydrophobicContact CG2-CB 3.54Å; I167-K453 HydrophobicContact CG2-CD 4.35Å; I167-L454 HydrophobicContact CD1-CD1 4.18Å; I167-L457 HydrophobicContact CD1-CD2 3.98Å; I167-F458 HydrophobicContact CD1-CE2 4.31Å
168	F	98.4	Very high	95.9	Very high	5 Å²	5	65.4 Å²	65.4	2%	0.022	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-49.4	175.4	171.6	-86.4	0	0	0	112	V164 D165 R166 A171 K172 W194 V196 V208 F450	V164-F168 WeakPolarHBondContact O-CB 3.49Å; V164-F168 PolarHBondContact O-N 3.3Å; D165-F168 WeakPolarHBondContact O-CB 3.25Å; D165-F168 PolarHBondContact O-N 3.3Å; R166-F168 VanDerWaalsContact C-N 3.27Å; R166-F168 PolarHBondContact O-N 3.48Å; F168-A171 PolarHBondContact O-N 2.77Å; F168-K172 HydrophobicContact CE1-CD 4.22Å; F168-K172 PolarHBondContact O-N 3.47Å; F168-W194 AromaticContact CD2-CD1 3.79Å; F168-W194 HydrophobicContact CD2-CD2 4.43Å; F168-W194 AromaticContact CD2-CE2 3.75Å; F168-W194 HydrophobicContact CD2-CG 4.44Å; F168-W194 HydrophobicContact CD2-CZ2 4.21Å; F168-W194 AromaticContact CD2-NE1 3.32Å; F168-W194 VanDerWaalsContact CD2-NE1 3.32Å; F168-W194 AromaticContact CE1-CD1 3.92Å; F168-W194 HydrophobicContact CE2-CB 4.49Å; F168-W194 AromaticContact CE2-CD1 3.25Å; F168-W194 HydrophobicContact CE2-CD2 4.03Å; F168-W194 AromaticContact CE2-CE2 3.8Å; F168-W194 AromaticContact CE2-CG 3.71Å; F168-W194 HydrophobicContact CE2-CG 3.71Å; F168-W194 AromaticContact CE2-NE1 3.32Å; F168-W194 VanDerWaalsContact CE2-NE1 3.32Å; F168-W194 AromaticContact CG-NE1 3.79Å; F168-W194 HydrophobicContact CZ-CB 4.47Å; F168-W194 AromaticContact CZ-CD1 3.31Å; F168-W194 AromaticContact CZ-CG 3.96Å; F168-W194 HydrophobicContact CZ-CG 3.96Å; F168-W194 AromaticContact CZ-NE1 3.76Å; F168-W194 PolarHBondContact O-NE1 3.44Å; F168-V196 HydrophobicContact CD2-CB 4.08Å; F168-V196 HydrophobicContact CD2-CG2 3.8Å; F168-V196 HydrophobicContact CE2-CG2 4.33Å; F168-V208 HydrophobicContact CB-CB 4.46Å; F168-V208 HydrophobicContact CB-CG1 4.21Å; F168-V208 HydrophobicContact CD1-CB 4.24Å; F168-V208 HydrophobicContact CD1-CG1 3.42Å; F168-V208 VanDerWaalsContact CD1-CG1 3.42Å; F168-V208 HydrophobicContact CD2-CB 3.9Å; F168-V208 HydrophobicContact CD2-CG1 4Å; F168-V208 HydrophobicContact CE1-CG1 3.72Å; F168-V208 HydrophobicContact CE2-CB 4.19Å; F168-V208 HydrophobicContact CE2-CG1 4.24Å; F168-V208 WeakPolarHBondContact CE2-O 3.4Å; F168-V208 HydrophobicContact CG-CB 3.93Å; F168-V208 HydrophobicContact CG-CG1 3.6Å; F168-V208 HydrophobicContact CZ-CG1 4.13Å; F168-F450 HydrophobicContact CB-CE2 4.48Å
169	E	97.9	Very high	95.9	Very high	90 Å²	90	61.1 Å²	61.1	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-43.8	178.9	-71.8	-63.9	129.3	0	0	111.3	D165 R166 A171 K172 E173	D165-E169 PolarHBondContact O-N 3.45Å; R166-E169 PolarHBondContact O-N 2.93Å; E169-A171 PolarHBondContact O-N 2.92Å; E169-A171 VanDerWaalsContact O-N 3.17Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.94Å; E169-K172 WeakPolarHBondContact OE1-CD 3.44Å; E169-K172 IonicContact OE1-NZ 3.33Å; E169-K172 PolarHBondContact OE1-NZ 3.2Å; E169-K172 VanDerWaalsContact OE2-CD 3.25Å; E169-K172 WeakPolarHBondContact OE2-CD 3.45Å; E169-K172 IonicContact OE2-NZ 3.71Å; E169-K172 PolarHBondContact OE2-NZ 3.33Å; E169-E173 PolarHBondContact O-N 2.98Å
170	D	96.8	Very high	95.8	Very high	77 Å²	77	56.2 Å²	56.2	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-50.9	-37.5	170.2	-96.4	33.4	0	0	0	113.9	R166 K453	R166-D170 VanDerWaalsContact O-CB 3.28Å; R166-D170 WeakPolarHBondContact O-CB 3.34Å; R166-D170 PolarHBondContact O-N 3.11Å; D170-K453 HydrophobicContact CB-CD 4.13Å; D170-K453 VanDerWaalsContact CB-NZ 3.31Å; D170-K453 VanDerWaalsContact CG-NZ 3.32Å; D170-K453 IonicContact OD2-NZ 2.83Å; D170-K453 PolarHBondContact OD2-NZ 3.33Å
171	A	96.6	Very high	95.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-85.1	-20.2	-178.8	0	0	0	0	0	112.8	I167 F168 E169 L174 W194 R446 F450	I167-A171 WeakPolarHBondContact O-CB 3.44Å; I167-A171 PolarHBondContact O-N 3.45Å; I167-A171 VanDerWaalsContact O-N 3.14Å; F168-A171 PolarHBondContact O-N 2.77Å; E169-A171 PolarHBondContact O-N 2.92Å; E169-A171 VanDerWaalsContact O-N 3.17Å; A171-L174 WeakPolarHBondContact O-CB 3.3Å; A171-L174 PolarHBondContact O-N 2.97Å; A171-W194 HydrophobicContact CB-CZ2 3.68Å; A171-R446 WeakPolarHBondContact O-CD 3.25Å; A171-R446 WeakPolarHBondContact O-CG 3.49Å; A171-F450 HydrophobicContact CB-CB 4.3Å
172	K	95.8	Very high	94.6	Very high	94 Å²	94	65.7 Å²	65.7	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-36.6	179.2	-173	-175.4	176.6	-176.5	0	111.9	F168 E169 L174 R446	F168-K172 HydrophobicContact CE1-CD 4.22Å; F168-K172 PolarHBondContact O-N 3.47Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.94Å; E169-K172 WeakPolarHBondContact OE1-CD 3.44Å; E169-K172 IonicContact OE1-NZ 3.33Å; E169-K172 PolarHBondContact OE1-NZ 3.2Å; E169-K172 VanDerWaalsContact OE2-CD 3.25Å; E169-K172 WeakPolarHBondContact OE2-CD 3.45Å; E169-K172 IonicContact OE2-NZ 3.71Å; E169-K172 PolarHBondContact OE2-NZ 3.33Å; K172-L174 PolarHBondContact O-N 3.49Å; K172-L174 VanDerWaalsContact O-N 3.16Å; K172-R446 PolarHBondContact O-NE 2.96Å; K172-R446 PolarHBondContact O-NH2 2.92Å
173	E	94.4	Very high	94	Very high	162 Å²	162	64.7 Å²	64.7	76%	0.757	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21	176.4	-60.7	-168.3	151.4	0	0	113.3	E169 T175	E169-E173 PolarHBondContact O-N 2.98Å; E173-T175 PolarHBondContact O-N 3.17Å
174	L	94.1	Very high	93.5	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.251	35%	0.351	S	S	.	.			trans	-72.8	112.9	177.6	-58.7	175.6	0	0	0	110.6	A171 K172 Y445 R446 S449	A171-L174 WeakPolarHBondContact O-CB 3.3Å; A171-L174 PolarHBondContact O-N 2.97Å; K172-L174 PolarHBondContact O-N 3.49Å; K172-L174 VanDerWaalsContact O-N 3.16Å; L174-Y445 HydrophobicContact CB-CD1 4.18Å; L174-Y445 HydrophobicContact CB-CE1 3.96Å; L174-R446 HydrophobicContact CB-CG 4.35Å; L174-R446 PolarHBondContact O-NE 3.27Å; L174-R446 PolarHBondContact O-NH2 2.92Å; L174-S449 VanDerWaalsContact CD1-CB 3.48Å; L174-S449 WeakPolarHBondContact CD1-OG 3.19Å
175	T	91.7	Very high	92.9	Very high	131 Å²	131	69 Å²	69	80%	0.804	36%	0.363	S	S	*	.			trans	-101.9	7.9	179.7	52.6	0	0	0	0	113.9	E173	E173-T175 PolarHBondContact O-N 3.17Å
176	G	91.4	Very high	92.4	Very high	28 Å²	28	66.8 Å²	66.8	29%	0.289	35%	0.351	S	S	.	.			trans	-78	165	-179.5	0	0	0	0	0	114.6	Y445	G176-Y445 VanDerWaalsContact C-CD1 3.44Å; G176-Y445 WeakPolarHBondContact O-CD1 3.25Å
177	G	93.7	Very high	91.9	Very high	41 Å²	41	62.3 Å²	62.3	42%	0.423	34%	0.344	S	S	.	.			trans	103.5	-177.6	178.6	0	0	0	0	0	113.7	L438	G177-L438 CarbonylContact C-O 3.57Å; G177-L438 WeakPolarHBondContact CA-O 3.47Å
178	K	95.5	Very high	91.5	Very high	176 Å²	176	69.7 Å²	69.7	77%	0.765	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-144	137.9	175.7	-66.7	-170.6	177	-171.8	0	111.1	L438	K178-L438 PolarHBondContact N-O 3.11Å; K178-L438 PolarHBondContact O-N 2.99Å
179	V	94.4	Very high	91.2	Very high	37 Å²	37	71.3 Å²	71.3	22%	0.224	39%	0.388	C	S	.	.			trans	-64.9	143.8	174.9	-178.8	0	0	0	0	110.3	A181 L186 P191 P436 P437	V179-A181 PolarHBondContact O-N 3.4Å; V179-L186 VanDerWaalsContact CG1-O 3.28Å; V179-L186 WeakPolarHBondContact CG1-O 3.47Å; V179-P191 HydrophobicContact CG2-CB 3.91Å; V179-P436 HydrophobicContact CG1-CB 4.42Å; V179-P436 HydrophobicContact CG2-CB 4.2Å; V179-P437 HydrophobicContact CG2-CG 4.46Å
180	A	89.9	Confident	91	Very high	8 Å²	8	70.7 Å²	70.7	7%	0.066	39%	0.388	C	S	.	.			trans	-67	101.6	178.6	0	0	0	0	0	111.7	Y182 L186 A187 I417 L438	A180-Y182 HydrophobicContact CB-CE1 4.31Å; A180-L186 HydrophobicContact CB-CB 4.37Å; A180-L186 HydrophobicContact CB-CD1 4.36Å; A180-L186 CarbonylContact O-C 3.51Å; A180-L186 WeakPolarHBondContact O-CB 3.35Å; A180-A187 PolarHBondContact O-N 2.65Å; A180-I417 WeakPolarHBondContact CB-O 3.32Å; A180-L438 HydrophobicContact CB-CD1 4.07Å
181	A	87.4	Confident	90.8	Very high	76 Å²	76	70 Å²	70	63%	0.628	39%	0.387	S	S	*	.			trans	-90.8	-10.1	-173.5	0	0	0	0	0	115.5	V179 A187	V179-A181 PolarHBondContact O-N 3.4Å; A181-A187 HydrophobicContact CB-CB 4.48Å
182	Y	81.9	Confident	90.8	Very high	145 Å²	145	75 Å²	75	57%	0.569	41%	0.414	S	S	*	.	S	Bend	trans	-79.8	-17.4	-173.4	68.9	-93.5	0	0	0	114.1	A180 I417	A180-Y182 HydrophobicContact CB-CE1 4.31Å; Y182-I417 HydrophobicContact CE2-CD1 4.41Å; Y182-I417 WeakPolarHBondContact OH-CD1 3.37Å
183	I	83.3	Confident	90.8	Very high	5 Å²	5	71.6 Å²	71.6	3%	0.026	40%	0.4	C	S	.	.	S	Bend	trans	-104.6	111.2	164.3	-68.9	156.5	0	0	0	106	Q185 L186 A187 E314 I417	I183-Q185 HydrophobicContact CG2-CB 4.17Å; I183-Q185 PolarHBondContact O-N 3.16Å; I183-L186 HydrophobicContact CB-CB 4.37Å; I183-L186 HydrophobicContact CB-CD1 4.18Å; I183-L186 HydrophobicContact CB-CG 4.13Å; I183-L186 HydrophobicContact CD1-CD1 3.87Å; I183-L186 HydrophobicContact CG2-CD1 4.45Å; I183-L186 HydrophobicContact CG2-CG 4.02Å; I183-L186 PolarHBondContact O-N 3.15Å; I183-A187 PolarHBondContact O-N 3.09Å; I183-A187 VanDerWaalsContact O-N 3.08Å; I183-E314 HydrophobicContact CD1-CG 3.96Å; I183-E314 HydrophobicContact CG1-CG 4.41Å; I183-E314 HydrophobicContact CG2-CG 4.46Å; I183-I417 HydrophobicContact CD1-CD1 3.59Å
184	P	86.4	Confident	91	Very high	65 Å²	65	64 Å²	64	42%	0.422	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.6	-177.1	-30.9	34.1	0	0	0	115.7	S313	P184-S313 WeakPolarHBondContact CD-OG 3.17Å
185	Q	86.8	Confident	91.2	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-41.4	178.6	-90.5	62.9	-35.4	0	0	111.1	I183 A187 K188 A309	I183-Q185 HydrophobicContact CG2-CB 4.17Å; I183-Q185 PolarHBondContact O-N 3.16Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-K188 PolarHBondContact O-N 2.79Å; Q185-A309 HydrophobicContact CG-CB 4.23Å; Q185-A309 PolarHBondContact NE2-O 3.29Å
186	L	87.1	Confident	91.5	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-72.1	-28.5	174.7	-60.1	-177.2	0	0	0	111.9	V179 A180 I183 K188 S189 I417	V179-L186 VanDerWaalsContact CG1-O 3.28Å; V179-L186 WeakPolarHBondContact CG1-O 3.47Å; A180-L186 HydrophobicContact CB-CB 4.37Å; A180-L186 HydrophobicContact CB-CD1 4.36Å; A180-L186 CarbonylContact O-C 3.51Å; A180-L186 WeakPolarHBondContact O-CB 3.35Å; I183-L186 HydrophobicContact CB-CB 4.37Å; I183-L186 HydrophobicContact CB-CD1 4.18Å; I183-L186 HydrophobicContact CB-CG 4.13Å; I183-L186 HydrophobicContact CD1-CD1 3.87Å; I183-L186 HydrophobicContact CG2-CD1 4.45Å; I183-L186 HydrophobicContact CG2-CG 4.02Å; I183-L186 PolarHBondContact O-N 3.15Å; L186-K188 PolarHBondContact O-N 2.88Å; L186-K188 VanDerWaalsContact O-N 3.09Å; L186-S189 VanDerWaalsContact O-CB 3.3Å; L186-S189 WeakPolarHBondContact O-CB 3.22Å; L186-S189 PolarHBondContact O-N 2.65Å; L186-S189 PolarHBondContact O-OG 3.12Å; L186-S189 VanDerWaalsContact O-OG 3.07Å; L186-I417 HydrophobicContact CD1-CD1 3.62Å; L186-I417 HydrophobicContact CD1-CG1 3.75Å
187	A	89.2	Confident	91.9	Very high	48 Å²	48	54.3 Å²	54.3	40%	0.397	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.9	-19.6	175	0	0	0	0	0	113.7	A180 A181 I183 Q185	A180-A187 PolarHBondContact O-N 2.65Å; A181-A187 HydrophobicContact CB-CB 4.48Å; I183-A187 PolarHBondContact O-N 3.09Å; I183-A187 VanDerWaalsContact O-N 3.08Å; Q185-A187 VanDerWaalsContact C-N 3.33Å
188	K	89.8	Confident	92.1	Very high	164 Å²	164	52.4 Å²	52.4	71%	0.713	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-85.6	-7.1	177.7	-61.6	171	-173.2	176	0	113.4	Q185 L186 N190	Q185-K188 PolarHBondContact O-N 2.79Å; L186-K188 PolarHBondContact O-N 2.88Å; L186-K188 VanDerWaalsContact O-N 3.09Å; K188-N190 PolarHBondContact O-N 2.92Å
189	S	90.6	Very high	92.3	Very high	40 Å²	40	44 Å²	44	28%	0.28	25%	0.245	S	C	.	.	S	Bend	trans	-65.2	129.6	-179.9	-60.7	0	0	0	0	111.1	L186	L186-S189 VanDerWaalsContact O-CB 3.3Å; L186-S189 WeakPolarHBondContact O-CB 3.22Å; L186-S189 PolarHBondContact O-N 2.65Å; L186-S189 PolarHBondContact O-OG 3.12Å; L186-S189 VanDerWaalsContact O-OG 3.07Å
190	N	93.5	Very high	92.5	Very high	77 Å²	77	42.3 Å²	42.3	41%	0.412	24%	0.235	S	C	.	.			trans	-63.6	123.3	175.3	174	3	0	0	0	109.7	K188 D192 L193	K188-N190 PolarHBondContact O-N 2.92Å; N190-D192 PolarHBondContact O-N 2.99Å; N190-D192 WeakPolarHBondContact OD1-CB 3.34Å; N190-D192 PolarHBondContact OD1-N 2.9Å; N190-L193 HydrophobicContact CB-CD1 4.34Å; N190-L193 HydrophobicContact CB-CD2 4.43Å; N190-L193 HydrophobicContact CB-CG 3.95Å; N190-L193 WeakPolarHBondContact O-CG 3.46Å; N190-L193 PolarHBondContact O-N 3.39Å
191	P	94.3	Very high	92.9	Very high	61 Å²	61	42.7 Å²	42.7	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.7	180	26.9	-36.3	0	0	0	113.6	V179 L193 P437	V179-P191 HydrophobicContact CG2-CB 3.91Å; P191-L193 PolarHBondContact O-N 2.94Å; P191-P437 HydrophobicContact CB-CG 3.93Å; P191-P437 WeakPolarHBondContact O-CD 3.49Å; P191-P437 VanDerWaalsContact O-CG 3.28Å; P191-P437 WeakPolarHBondContact O-CG 3.38Å
192	D	95.1	Very high	93.4	Very high	107 Å²	107	41 Å²	41	57%	0.572	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.4	-177	-63.9	-41.3	0	0	0	113.3	N190 W194 R446	N190-D192 PolarHBondContact O-N 2.99Å; N190-D192 WeakPolarHBondContact OD1-CB 3.34Å; N190-D192 PolarHBondContact OD1-N 2.9Å; D192-W194 PolarHBondContact O-N 3.49Å; D192-R446 PolarHBondContact O-NH1 3.17Å
193	L	96.5	Very high	94.1	Very high	21 Å²	21	34 Å²	34	11%	0.11	19%	0.189	C	C	.	.			trans	-58.1	124	176.9	-62.5	-175.6	0	0	0	111.1	N190 P191 H210 I213 S435 P436	N190-L193 HydrophobicContact CB-CD1 4.34Å; N190-L193 HydrophobicContact CB-CD2 4.43Å; N190-L193 HydrophobicContact CB-CG 3.95Å; N190-L193 WeakPolarHBondContact O-CG 3.46Å; N190-L193 PolarHBondContact O-N 3.39Å; P191-L193 PolarHBondContact O-N 2.94Å; L193-H210 HydrophobicContact CD2-CB 4.27Å; L193-I213 HydrophobicContact CD1-CD1 4.25Å; L193-I213 HydrophobicContact CD1-CG2 4.42Å; L193-I213 HydrophobicContact CD2-CD1 3.54Å; L193-S435 WeakPolarHBondContact O-CA 3.42Å; L193-S435 PolarHBondContact O-OG 3.24Å; L193-P436 HydrophobicContact CB-CG 4.18Å; L193-P436 HydrophobicContact CD1-CG 4.46Å
194	W	98	Very high	94.9	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.011	19%	0.189	C	C	.	.			trans	-144	120.9	173.1	-176.6	-139.8	0	0	0	108.5	F168 A171 D192 V196 H210 C433 L434 R446 F450	F168-W194 AromaticContact CD2-CD1 3.79Å; F168-W194 HydrophobicContact CD2-CD2 4.43Å; F168-W194 AromaticContact CD2-CE2 3.75Å; F168-W194 HydrophobicContact CD2-CG 4.44Å; F168-W194 HydrophobicContact CD2-CZ2 4.21Å; F168-W194 AromaticContact CD2-NE1 3.32Å; F168-W194 VanDerWaalsContact CD2-NE1 3.32Å; F168-W194 AromaticContact CE1-CD1 3.92Å; F168-W194 HydrophobicContact CE2-CB 4.49Å; F168-W194 AromaticContact CE2-CD1 3.25Å; F168-W194 HydrophobicContact CE2-CD2 4.03Å; F168-W194 AromaticContact CE2-CE2 3.8Å; F168-W194 AromaticContact CE2-CG 3.71Å; F168-W194 HydrophobicContact CE2-CG 3.71Å; F168-W194 AromaticContact CE2-NE1 3.32Å; F168-W194 VanDerWaalsContact CE2-NE1 3.32Å; F168-W194 AromaticContact CG-NE1 3.79Å; F168-W194 HydrophobicContact CZ-CB 4.47Å; F168-W194 AromaticContact CZ-CD1 3.31Å; F168-W194 AromaticContact CZ-CG 3.96Å; F168-W194 HydrophobicContact CZ-CG 3.96Å; F168-W194 AromaticContact CZ-NE1 3.76Å; F168-W194 PolarHBondContact O-NE1 3.44Å; A171-W194 HydrophobicContact CB-CZ2 3.68Å; D192-W194 PolarHBondContact O-N 3.49Å; W194-V196 HydrophobicContact CH2-CG2 3.54Å; W194-V196 HydrophobicContact CZ2-CG2 3.62Å; W194-V196 HydrophobicContact CZ3-CG2 4.07Å; W194-H210 PolarHBondContact N-ND1 2.95Å; W194-H210 WeakPolarHBondContact O-CB 3.43Å; W194-H210 PolarHBondContact O-N 3.09Å; W194-H210 PolarHBondContact O-ND1 3.07Å; W194-C433 HydrophobicContact CH2-CB 4.29Å; W194-C433 HydrophobicContact CZ3-CB 4.1Å; W194-L434 WeakPolarHBondContact CA-O 3.41Å; W194-R446 HydrophobicContact CD2-CB 4Å; W194-R446 HydrophobicContact CE3-CB 3.75Å; W194-R446 HydrophobicContact CH2-CB 3.96Å; W194-R446 HydrophobicContact CZ2-CB 4.18Å; W194-R446 HydrophobicContact CZ3-CB 3.73Å; W194-F450 HydrophobicContact CH2-CB 3.83Å; W194-F450 HydrophobicContact CH2-CD2 4.38Å; W194-F450 HydrophobicContact CH2-CG 4.18Å; W194-F450 HydrophobicContact CZ2-CB 4Å; W194-F450 AromaticContact CZ2-CD2 3.99Å; W194-F450 HydrophobicContact CZ2-CD2 3.99Å; W194-F450 HydrophobicContact CZ2-CG 4.21Å
195	G	98.4	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	139.4	179.2	0	0	0	0	0	110.8	V208 C433 L434	G195-V208 WeakPolarHBondContact CA-O 3.26Å; G195-C433 CarbonylContact O-C 3.42Å; G195-C433 WeakPolarHBondContact O-CA 3.03Å; G195-L434 PolarHBondContact N-O 3.3Å; G195-L434 VanDerWaalsContact N-O 3.13Å; G195-L434 PolarHBondContact O-N 3.14Å
196	V	98.8	Very high	96	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.1	176.5	176.7	0	0	0	0	108.9	F168 W194 S207 V208 T211 M431 M432 C433 F450	F168-V196 HydrophobicContact CD2-CB 4.08Å; F168-V196 HydrophobicContact CD2-CG2 3.8Å; F168-V196 HydrophobicContact CE2-CG2 4.33Å; W194-V196 HydrophobicContact CH2-CG2 3.54Å; W194-V196 HydrophobicContact CZ2-CG2 3.62Å; W194-V196 HydrophobicContact CZ3-CG2 4.07Å; V196-S207 WeakPolarHBondContact O-CA 3.42Å; V196-V208 PolarHBondContact N-O 3.38Å; V196-V208 PolarHBondContact O-N 2.86Å; V196-T211 WeakPolarHBondContact O-CG2 3.41Å; V196-M431 HydrophobicContact CG1-CE 4.11Å; V196-M432 WeakPolarHBondContact CA-O 3.41Å; V196-C433 HydrophobicContact CG2-CB 4.27Å; V196-F450 HydrophobicContact CG1-CE1 4.08Å; V196-F450 HydrophobicContact CG1-CE2 4.17Å; V196-F450 HydrophobicContact CG1-CZ 3.75Å; V196-F450 HydrophobicContact CG2-CD2 4.24Å; V196-F450 HydrophobicContact CG2-CE2 4.22Å; V196-F450 HydrophobicContact CG2-CZ 4.49Å
197	S	98.9	Very high	96.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.3	172.2	-65.1	0	0	0	0	110.4	H206 S207 T211 C357 E358 S361 M431 M432	S197-H206 WeakPolarHBondContact CA-O 3.29Å; S197-S207 WeakPolarHBondContact CB-OG 3.41Å; S197-S207 PolarHBondContact OG-OG 2.88Å; S197-T211 WeakPolarHBondContact OG-CB 3.5Å; S197-T211 VanDerWaalsContact OG-CG2 3.27Å; S197-T211 WeakPolarHBondContact OG-CG2 3.23Å; S197-C357 VanDerWaalsContact CB-C 3.44Å; S197-C357 VanDerWaalsContact CB-O 3.29Å; S197-C357 WeakPolarHBondContact CB-O 3.5Å; S197-C357 WeakPolarHBondContact OG-CB 3.48Å; S197-E358 PolarHBondContact OG-N 2.85Å; S197-S361 WeakPolarHBondContact O-CB 3.39Å; S197-M431 CarbonylContact O-C 3.46Å; S197-M431 VanDerWaalsContact O-CA 3.26Å; S197-M431 WeakPolarHBondContact O-CA 3.22Å; S197-M432 PolarHBondContact N-O 2.91Å; S197-M432 PolarHBondContact O-N 3.31Å
198	L	98.4	Very high	97	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153	174.1	68.5	89	0	0	0	111.7	F157 F160 V164 R205 H206 G430 M431	F157-L198 HydrophobicContact CE2-CD1 3.97Å; F157-L198 HydrophobicContact CZ-CD1 3.83Å; F160-L198 HydrophobicContact CE1-CD1 4.25Å; F160-L198 HydrophobicContact CE1-CD2 3.81Å; F160-L198 HydrophobicContact CZ-CD2 4.29Å; V164-L198 HydrophobicContact CG1-CD2 4.16Å; V164-L198 HydrophobicContact CG2-CD2 4Å; L198-R205 WeakPolarHBondContact O-CA 3.3Å; L198-H206 HydrophobicContact CD1-CB 4.09Å; L198-H206 HydrophobicContact CD2-CB 4.15Å; L198-H206 HydrophobicContact CG-CB 3.92Å; L198-H206 PolarHBondContact N-O 3.43Å; L198-H206 PolarHBondContact O-N 3.43Å; L198-G430 WeakPolarHBondContact CA-O 3.42Å; L198-M431 HydrophobicContact CB-CE 3.99Å; L198-M431 HydrophobicContact CB-CG 3.84Å; L198-M431 HydrophobicContact CD2-CE 4.03Å
199	C	98.8	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124	173.5	-178.7	0	0	0	0	108.4	Q204 R205 V362 A365 M429 G430	C199-Q204 CarbonylContact C-O 3.49Å; C199-Q204 VanDerWaalsContact CA-O 3.29Å; C199-Q204 WeakPolarHBondContact CA-O 3.39Å; C199-R205 HydrophobicContact CB-CG 4.23Å; C199-V362 HydrophobicContact CB-CG2 4.26Å; C199-A365 HydrophobicContact CB-CB 3.78Å; C199-A365 VanDerWaalsContact O-CB 3.24Å; C199-A365 WeakPolarHBondContact O-CB 3.33Å; C199-M429 CarbonylContact O-C 3.55Å; C199-M429 VanDerWaalsContact O-CA 3.25Å; C199-M429 WeakPolarHBondContact O-CA 3.19Å; C199-M429 VanDerWaalsContact O-CB 3.29Å; C199-M429 WeakPolarHBondContact O-CB 3.23Å; C199-G430 PolarHBondContact N-O 3.14Å; C199-G430 PolarHBondContact O-N 3.01Å
200	T	98.8	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	164.6	175.8	71.4	0	0	0	0	111.2	V153 I154 F157 D202 G203 Q204 P374 V428 M429	V153-T200 HydrophobicContact CG1-CG2 4.31Å; I154-T200 HydrophobicContact CD1-CG2 3.97Å; I154-T200 HydrophobicContact CG1-CG2 4.42Å; F157-T200 HydrophobicContact CE2-CG2 3.96Å; T200-D202 PolarHBondContact O-N 3.45Å; T200-G203 PolarHBondContact O-N 3.2Å; T200-Q204 HydrophobicContact CG2-CB 3.93Å; T200-Q204 PolarHBondContact N-O 3.49Å; T200-Q204 VanDerWaalsContact OG1-CB 3.25Å; T200-Q204 WeakPolarHBondContact OG1-CB 3.44Å; T200-Q204 WeakPolarHBondContact OG1-CG 3.47Å; T200-Q204 PolarHBondContact OG1-N 3.48Å; T200-Q204 PolarHBondContact OG1-OE1 3.46Å; T200-P374 WeakPolarHBondContact O-CB 3.48Å; T200-V428 CarbonylContact C-O 3.33Å; T200-V428 VanDerWaalsContact CA-O 3.28Å; T200-V428 WeakPolarHBondContact CA-O 3.25Å; T200-V428 WeakPolarHBondContact CB-O 3.49Å; T200-M429 HydrophobicContact CG2-CB 4.27Å
201	V	98.5	Very high	97.9	Very high	16 Å²	16	24.4 Å²	24.4	10%	0.097	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21	176.8	-63.1	0	0	0	0	113.3	V153 A368 N369 P374 V428	V153-V201 HydrophobicContact CB-CG2 4.21Å; V153-V201 HydrophobicContact CG1-CG2 3.95Å; V153-V201 HydrophobicContact CG2-CG2 4.47Å; V201-A368 HydrophobicContact CG1-CB 3.72Å; V201-N369 HydrophobicContact CB-CB 3.91Å; V201-N369 HydrophobicContact CG1-CB 3.72Å; V201-P374 VanDerWaalsContact O-CB 3.27Å; V201-P374 WeakPolarHBondContact O-CB 3.07Å; V201-V428 PolarHBondContact N-O 2.88Å
202	D	98.3	Very high	98.1	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.214	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.8	173.2	-60.7	-61.1	0	0	0	113.8	R107 F152 V153 T200	R107-D202 VanDerWaalsContact CZ-O 3.3Å; R107-D202 PolarHBondContact NH1-O 2.91Å; R107-D202 PolarHBondContact NH2-O 3.38Å; F152-D202 WeakPolarHBondContact CA-OD2 3.5Å; F152-D202 HydrophobicContact CB-CB 4.13Å; F152-D202 HydrophobicContact CD1-CB 3.43Å; F152-D202 VanDerWaalsContact CD1-CB 3.43Å; F152-D202 HydrophobicContact CD2-CB 4.49Å; F152-D202 HydrophobicContact CE1-CB 3.86Å; F152-D202 HydrophobicContact CG-CB 3.79Å; V153-D202 WeakPolarHBondContact CB-OD2 3.41Å; V153-D202 WeakPolarHBondContact CG1-OD2 3.43Å; V153-D202 PolarHBondContact N-OD2 3.09Å; T200-D202 PolarHBondContact O-N 3.45Å
203	G	97.8	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.			trans	89.1	16.2	-179.3	0	0	0	0	0	115.2	T200	T200-G203 PolarHBondContact O-N 3.2Å
204	Q	98.5	Very high	98.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	16%	0.158	C	C	.	.			trans	-70.7	139.2	168.6	-50	165.4	-77.4	0	0	109.2	T99 G100 F152 I154 F157 C199 T200	T99-Q204 WeakPolarHBondContact O-CG 3.26Å; T99-Q204 PolarHBondContact O-NE2 3.44Å; G100-Q204 CarbonylContact O-C 3.59Å; G100-Q204 WeakPolarHBondContact O-CA 3.27Å; F152-Q204 HydrophobicContact CB-CG 4.37Å; F152-Q204 HydrophobicContact CD2-CG 3.6Å; F152-Q204 HydrophobicContact CE2-CG 4.15Å; F152-Q204 HydrophobicContact CG-CG 4.23Å; I154-Q204 PolarHBondContact O-NE2 2.91Å; F157-Q204 HydrophobicContact CD2-CB 3.82Å; F157-Q204 HydrophobicContact CD2-CG 4.39Å; F157-Q204 HydrophobicContact CE1-CB 4.37Å; F157-Q204 HydrophobicContact CE2-CB 3.52Å; F157-Q204 HydrophobicContact CG-CB 4.39Å; F157-Q204 HydrophobicContact CZ-CB 3.81Å; C199-Q204 CarbonylContact C-O 3.49Å; C199-Q204 VanDerWaalsContact CA-O 3.29Å; C199-Q204 WeakPolarHBondContact CA-O 3.39Å; T200-Q204 HydrophobicContact CG2-CB 3.93Å; T200-Q204 PolarHBondContact N-O 3.49Å; T200-Q204 VanDerWaalsContact OG1-CB 3.25Å; T200-Q204 WeakPolarHBondContact OG1-CB 3.44Å; T200-Q204 WeakPolarHBondContact OG1-CG 3.47Å; T200-Q204 PolarHBondContact OG1-N 3.48Å; T200-Q204 PolarHBondContact OG1-OE1 3.46Å
205	R	98.4	Very high	98.2	Very high	17 Å²	17	29.1 Å²	29.1	6%	0.064	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.7	-170.6	-61.5	-177.8	73.3	-168.4	22.3	113	G100 Q102 L198 C199 E302 E358	G100-R205 PolarHBondContact O-N 3.28Å; Q102-R205 HydrophobicContact CG-CB 4.25Å; L198-R205 WeakPolarHBondContact O-CA 3.3Å; C199-R205 HydrophobicContact CB-CG 4.23Å; R205-E302 IonicContact CZ-OE1 3.46Å; R205-E302 IonicContact CZ-OE2 2.72Å; R205-E302 IonicContact NH1-OE1 3.69Å; R205-E302 PolarHBondContact NH1-OE1 3.15Å; R205-E302 IonicContact NH1-OE2 2.91Å; R205-E302 IonicContact NH2-OE1 3.43Å; R205-E302 PolarHBondContact NH2-OE1 3.25Å; R205-E302 IonicContact NH2-OE2 3.73Å; R205-E302 PolarHBondContact NH2-OE2 3.32Å; R205-E358 PolarHBondContact NH2-O 2.8Å
206	H	98.4	Very high	98.1	Very high	41 Å²	41	29.4 Å²	29.4	19%	0.19	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.4	172.9	-172.2	49.2	0	0	0	111.1	F157 T161 D165 S197 L198 V208	F157-H206 HydrophobicContact CE1-CB 4.16Å; F157-H206 HydrophobicContact CZ-CB 4.03Å; T161-H206 HydrophobicContact CG2-CB 3.46Å; T161-H206 VanDerWaalsContact CG2-CB 3.46Å; T161-H206 VanDerWaalsContact CG2-CD2 3.48Å; T161-H206 WeakPolarHBondContact CG2-CD2 3.3Å; D165-H206 IonicContact OD1-CD2 2.85Å; D165-H206 IonicContact OD1-CE1 2.7Å; D165-H206 IonicContact OD1-NE2 2.75Å; D165-H206 PolarHBondContact OD1-NE2 3.46Å; D165-H206 IonicContact OD2-NE2 3.07Å; S197-H206 WeakPolarHBondContact CA-O 3.29Å; L198-H206 HydrophobicContact CD1-CB 4.09Å; L198-H206 HydrophobicContact CD2-CB 4.15Å; L198-H206 HydrophobicContact CG-CB 3.92Å; L198-H206 PolarHBondContact N-O 3.43Å; L198-H206 PolarHBondContact O-N 3.43Å; H206-V208 WeakPolarHBondContact NE2-CG2 3.33Å
207	S	98.4	Very high	97.9	Very high	35 Å²	35	29.3 Å²	29.3	25%	0.245	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	130.7	-172.8	-79.9	0	0	0	0	111.8	V196 S197 E358	V196-S207 WeakPolarHBondContact O-CA 3.42Å; S197-S207 WeakPolarHBondContact CB-OG 3.41Å; S197-S207 PolarHBondContact OG-OG 2.88Å; S207-E358 WeakPolarHBondContact OG-CG 3.45Å
208	V	98.4	Very high	97.8	Very high	23 Å²	23	29.4 Å²	29.4	14%	0.139	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.4	-173.3	-159.1	0	0	0	0	110.2	D165 F168 G195 V196 H206 T211	D165-V208 WeakPolarHBondContact OD1-CG2 3.09Å; F168-V208 HydrophobicContact CB-CB 4.46Å; F168-V208 HydrophobicContact CB-CG1 4.21Å; F168-V208 HydrophobicContact CD1-CB 4.24Å; F168-V208 HydrophobicContact CD1-CG1 3.42Å; F168-V208 VanDerWaalsContact CD1-CG1 3.42Å; F168-V208 HydrophobicContact CD2-CB 3.9Å; F168-V208 HydrophobicContact CD2-CG1 4Å; F168-V208 HydrophobicContact CE1-CG1 3.72Å; F168-V208 HydrophobicContact CE2-CB 4.19Å; F168-V208 HydrophobicContact CE2-CG1 4.24Å; F168-V208 WeakPolarHBondContact CE2-O 3.4Å; F168-V208 HydrophobicContact CG-CB 3.93Å; F168-V208 HydrophobicContact CG-CG1 3.6Å; F168-V208 HydrophobicContact CZ-CG1 4.13Å; G195-V208 WeakPolarHBondContact CA-O 3.26Å; V196-V208 PolarHBondContact N-O 3.38Å; V196-V208 PolarHBondContact O-N 2.86Å; H206-V208 WeakPolarHBondContact NE2-CG2 3.33Å; V208-T211 VanDerWaalsContact O-CG2 3.25Å; V208-T211 WeakPolarHBondContact O-CG2 3.46Å
209	G	97.9	Very high	97.7	Very high	48 Å²	48	29.7 Å²	29.7	50%	0.495	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.5	-141.2	179.2	0	0	0	0	0	114.1	T211	G209-T211 PolarHBondContact O-N 3.03Å
210	H	98	Very high	97.7	Very high	84 Å²	84	29.7 Å²	29.7	39%	0.389	16%	0.164	S	C	.	.	S	Bend	trans	-82.3	50.8	-169.4	-58.8	88.4	0	0	0	113.1	L193 W194 K212 I213	L193-H210 HydrophobicContact CD2-CB 4.27Å; W194-H210 PolarHBondContact N-ND1 2.95Å; W194-H210 WeakPolarHBondContact O-CB 3.43Å; W194-H210 PolarHBondContact O-N 3.09Å; W194-H210 PolarHBondContact O-ND1 3.07Å; H210-K212 PolarHBondContact O-N 3.39Å; H210-I213 HydrophobicContact CB-CD1 3.93Å; H210-I213 HydrophobicContact CB-CG1 4.37Å
211	T	98.3	Very high	97.6	Very high	10 Å²	10	29.8 Å²	29.8	6%	0.061	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.1	-169.2	58.3	0	0	0	0	114.7	V196 S197 V208 G209 T356 C357 E358	V196-T211 WeakPolarHBondContact O-CG2 3.41Å; S197-T211 WeakPolarHBondContact OG-CB 3.5Å; S197-T211 VanDerWaalsContact OG-CG2 3.27Å; S197-T211 WeakPolarHBondContact OG-CG2 3.23Å; V208-T211 VanDerWaalsContact O-CG2 3.25Å; V208-T211 WeakPolarHBondContact O-CG2 3.46Å; G209-T211 PolarHBondContact O-N 3.03Å; T211-T356 WeakPolarHBondContact O-CB 3.29Å; T211-C357 HydrophobicContact CG2-CB 4.31Å; T211-C357 WeakPolarHBondContact O-CB 3.32Å; T211-C357 PolarHBondContact O-N 2.93Å; T211-E358 PolarHBondContact OG1-OE1 2.91Å
212	K	97.8	Very high	97.6	Very high	149 Å²	149	29.1 Å²	29.1	65%	0.648	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.1	-174.2	-62.8	-175.3	177.4	-178.5	0	114.7	H210 T356 E358	H210-K212 PolarHBondContact O-N 3.39Å; K212-T356 WeakPolarHBondContact O-CG2 3.35Å; K212-E358 VanDerWaalsContact CE-CD 3.49Å; K212-E358 WeakPolarHBondContact CE-OE1 3.27Å; K212-E358 WeakPolarHBondContact CE-OE2 3.43Å; K212-E358 VanDerWaalsContact CG-OE1 3.26Å; K212-E358 WeakPolarHBondContact CG-OE1 3.45Å
213	I	97	Very high	97.6	Very high	63 Å²	63	27.2 Å²	27.2	32%	0.323	15%	0.151	S	C	.	.	S	Bend	trans	-75.7	126.9	176.4	-60.6	-173.7	0	0	0	108.5	L193 H210	L193-I213 HydrophobicContact CD1-CD1 4.25Å; L193-I213 HydrophobicContact CD1-CG2 4.42Å; L193-I213 HydrophobicContact CD2-CD1 3.54Å; H210-I213 HydrophobicContact CB-CD1 3.93Å; H210-I213 HydrophobicContact CB-CG1 4.37Å
214	P	97.1	Very high	97.7	Very high	61 Å²	61	27.2 Å²	27.2	40%	0.396	15%	0.151	S	C	.	.			trans	-72.7	141	176.5	30.6	-35	0	0	0	111.1	Y303 V355	P214-Y303 HydrophobicContact CB-CE1 3.61Å; P214-Y303 WeakPolarHBondContact CB-OH 3.31Å; P214-V355 CarbonylContact C-O 3.57Å; P214-V355 WeakPolarHBondContact CA-O 3.49Å
215	F	96.6	Very high	97.6	Very high	17 Å²	17	27.2 Å²	27.2	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.2	175.3	61.8	-89.9	0	0	0	110.9	L217 E354 V355 A420 M432 L434	F215-L217 PolarHBondContact O-N 2.93Å; F215-E354 CarbonylContact O-C 3.45Å; F215-E354 VanDerWaalsContact O-CA 3.29Å; F215-E354 WeakPolarHBondContact O-CA 3.38Å; F215-V355 WeakPolarHBondContact CD1-O 3.34Å; F215-V355 HydrophobicContact CD2-CG2 4.28Å; F215-V355 HydrophobicContact CE1-CG2 4.3Å; F215-V355 HydrophobicContact CE2-CG2 3.66Å; F215-V355 HydrophobicContact CZ-CG2 3.7Å; F215-V355 PolarHBondContact N-O 2.95Å; F215-V355 PolarHBondContact O-N 2.99Å; F215-A420 HydrophobicContact CD2-CB 3.95Å; F215-A420 HydrophobicContact CE2-CB 3.36Å; F215-A420 HydrophobicContact CZ-CB 4.08Å; F215-M432 HydrophobicContact CE2-SD 4.47Å; F215-M432 HydrophobicContact CZ-CG 3.92Å; F215-M432 HydrophobicContact CZ-SD 4.11Å; F215-L434 HydrophobicContact CB-CD1 4.14Å; F215-L434 HydrophobicContact CB-CD2 4.47Å; F215-L434 HydrophobicContact CD1-CD1 3.8Å; F215-L434 HydrophobicContact CD1-CD2 3.53Å; F215-L434 HydrophobicContact CD1-CG 4.14Å; F215-L434 HydrophobicContact CD2-CD1 3.95Å; F215-L434 HydrophobicContact CE1-CB 4.21Å; F215-L434 HydrophobicContact CE1-CD1 4.13Å; F215-L434 HydrophobicContact CE1-CD2 3.97Å; F215-L434 HydrophobicContact CE1-CG 4.32Å; F215-L434 HydrophobicContact CE2-CD1 4.31Å; F215-L434 HydrophobicContact CG-CD1 3.68Å; F215-L434 HydrophobicContact CG-CD2 4.15Å; F215-L434 HydrophobicContact CG-CG 4.49Å; F215-L434 HydrophobicContact CZ-CD1 4.38Å
216	C	96.4	Very high	97.7	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.6	176.6	-64.5	0	0	0	0	111.6	Q218 S307 V353 S418	C216-Q218 HydrophobicContact CB-CG 3.85Å; C216-Q218 WeakPolarHBondContact O-CG 3.38Å; C216-Q218 PolarHBondContact O-N 2.72Å; C216-S307 WeakPolarHBondContact SG-CB 3.4Å; C216-V353 CarbonylContact C-O 3.59Å; C216-V353 WeakPolarHBondContact CA-O 3.32Å; C216-S418 WeakPolarHBondContact O-CB 3.28Å; C216-S418 PolarHBondContact O-OG 3.39Å
217	L	96.1	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.			trans	-55.6	-34.8	175.8	-88.1	174.2	0	0	0	112.4	F215 S219 C220 V221 L224 V353 V355 A416 M432	F215-L217 PolarHBondContact O-N 2.93Å; L217-S219 PolarHBondContact O-N 3.49Å; L217-C220 HydrophobicContact CD2-CB 4.07Å; L217-C220 WeakPolarHBondContact O-CB 3.45Å; L217-C220 PolarHBondContact O-N 3.46Å; L217-V221 HydrophobicContact CB-CB 4.21Å; L217-V221 HydrophobicContact CD1-CB 4.4Å; L217-V221 HydrophobicContact CD1-CG2 4.12Å; L217-L224 HydrophobicContact CD1-CD1 4.37Å; L217-V353 HydrophobicContact CD1-CB 4.41Å; L217-V353 HydrophobicContact CD1-CG1 4.06Å; L217-V353 PolarHBondContact N-O 3.4Å; L217-V355 HydrophobicContact CD1-CG1 3.79Å; L217-V355 HydrophobicContact CD2-CB 4.4Å; L217-V355 HydrophobicContact CD2-CG1 3.97Å; L217-V355 HydrophobicContact CD2-CG2 3.54Å; L217-V355 HydrophobicContact CG-CB 4.35Å; L217-V355 HydrophobicContact CG-CG1 3.68Å; L217-V355 HydrophobicContact CG-CG2 3.74Å; L217-A416 WeakPolarHBondContact O-CB 3.35Å; L217-M432 HydrophobicContact CD2-CE 4.24Å
218	Q	95.8	Very high	97.6	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	55.4	-137.1	174.5	-78.2	-67.4	-23.7	0	0	110.3	C216 C220 V221 E314 C351 A416 I417	C216-Q218 HydrophobicContact CB-CG 3.85Å; C216-Q218 WeakPolarHBondContact O-CG 3.38Å; C216-Q218 PolarHBondContact O-N 2.72Å; Q218-C220 PolarHBondContact O-N 2.82Å; Q218-V221 WeakPolarHBondContact O-CG1 3.33Å; Q218-V221 PolarHBondContact O-N 3.12Å; Q218-V221 VanDerWaalsContact O-N 3.09Å; Q218-E314 VanDerWaalsContact CD-OE1 3.3Å; Q218-E314 PolarHBondContact NE2-OE1 3.11Å; Q218-E314 PolarHBondContact OE1-OE1 2.72Å; Q218-E314 VanDerWaalsContact OE1-OE1 3.06Å; Q218-C351 VanDerWaalsContact CA-O 3.29Å; Q218-C351 WeakPolarHBondContact CA-O 3.47Å; Q218-C351 PolarHBondContact N-O 2.91Å; Q218-A416 HydrophobicContact CB-CB 3.72Å; Q218-I417 HydrophobicContact CB-CG1 4.12Å; Q218-I417 HydrophobicContact CG-CG1 3.96Å; Q218-I417 VanDerWaalsContact OE1-CD1 3.23Å
219	S	96.3	Very high	97.6	Very high	7 Å²	7	21.8 Å²	21.8	5%	0.049	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-63.1	-8.4	177.8	-74.9	0	0	0	0	115.6	L217 V221 K222 Y399 K414	L217-S219 PolarHBondContact O-N 3.49Å; S219-V221 PolarHBondContact O-N 3.42Å; S219-K222 WeakPolarHBondContact OG-CE 3.3Å; S219-K222 PolarHBondContact OG-NZ 3.44Å; S219-Y399 WeakPolarHBondContact CB-OH 3.45Å; S219-K414 VanDerWaalsContact O-CE 3.3Å; S219-K414 WeakPolarHBondContact O-CE 3.12Å; S219-K414 VanDerWaalsContact O-CG 3.28Å; S219-K414 WeakPolarHBondContact O-CG 3.16Å
220	C	98.1	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-70.7	-17.8	171.1	-65.9	0	0	0	0	113	L217 Q218 K222 P223 K414 A416 L422	L217-C220 HydrophobicContact CD2-CB 4.07Å; L217-C220 WeakPolarHBondContact O-CB 3.45Å; L217-C220 PolarHBondContact O-N 3.46Å; Q218-C220 PolarHBondContact O-N 2.82Å; C220-K222 VanDerWaalsContact C-N 3.32Å; C220-K222 PolarHBondContact O-N 3.31Å; C220-P223 VanDerWaalsContact O-CD 3.28Å; C220-P223 WeakPolarHBondContact O-CD 3.19Å; C220-P223 VanDerWaalsContact O-CG 3.29Å; C220-P223 WeakPolarHBondContact O-CG 3.29Å; C220-K414 PolarHBondContact SG-O 2.67Å; C220-A416 HydrophobicContact CB-CB 4.39Å; C220-A416 WeakPolarHBondContact SG-CB 3.3Å; C220-L422 HydrophobicContact CB-CB 4.27Å
221	V	98.2	Very high	97.6	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	9%	0.091	C	C	.	.	H	α-helix	trans	-71.8	-26.2	177.5	84.7	0	0	0	0	112.9	L217 Q218 S219 L224 T225 L295 L350	L217-V221 HydrophobicContact CB-CB 4.21Å; L217-V221 HydrophobicContact CD1-CB 4.4Å; L217-V221 HydrophobicContact CD1-CG2 4.12Å; Q218-V221 WeakPolarHBondContact O-CG1 3.33Å; Q218-V221 PolarHBondContact O-N 3.12Å; Q218-V221 VanDerWaalsContact O-N 3.09Å; S219-V221 PolarHBondContact O-N 3.42Å; V221-L224 WeakPolarHBondContact O-CA 3.3Å; V221-L224 WeakPolarHBondContact O-CB 3.19Å; V221-L224 PolarHBondContact O-N 2.82Å; V221-T225 HydrophobicContact CG2-CG2 4.09Å; V221-T225 PolarHBondContact O-N 3.34Å; V221-T225 PolarHBondContact O-OG1 3.41Å; V221-L295 HydrophobicContact CG2-CD1 4.22Å; V221-L350 HydrophobicContact CG1-CB 4.18Å; V221-L350 HydrophobicContact CG2-CB 4.29Å
222	K	98.4	Very high	97.5	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-56.5	-47.5	-174.9	-61.7	177.1	174.5	160.6	0	115.4	S219 C220 L224 T225 Y226 M266 N268 A271	S219-K222 WeakPolarHBondContact OG-CE 3.3Å; S219-K222 PolarHBondContact OG-NZ 3.44Å; C220-K222 VanDerWaalsContact C-N 3.32Å; C220-K222 PolarHBondContact O-N 3.31Å; K222-L224 PolarHBondContact O-N 2.85Å; K222-T225 PolarHBondContact O-OG1 2.87Å; K222-T225 VanDerWaalsContact O-OG1 3.11Å; K222-Y226 WeakPolarHBondContact O-CB 3.43Å; K222-Y226 PolarHBondContact O-N 3.23Å; K222-Y226 VanDerWaalsContact O-N 3.09Å; K222-M266 VanDerWaalsContact CD-O 3.22Å; K222-M266 WeakPolarHBondContact CD-O 3.28Å; K222-M266 PolarHBondContact NZ-O 3.02Å; K222-N268 PolarHBondContact NZ-OD1 3.16Å; K222-A271 HydrophobicContact CB-CB 4.41Å; K222-A271 HydrophobicContact CD-CB 3.83Å; K222-A271 HydrophobicContact CG-CB 3.71Å
223	P	98.6	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-33.9	173.2	22.7	-35	0	0	0	112.5	C220 A227 M266 T389 M393 K414 L422	C220-P223 VanDerWaalsContact O-CD 3.28Å; C220-P223 WeakPolarHBondContact O-CD 3.19Å; C220-P223 VanDerWaalsContact O-CG 3.29Å; C220-P223 WeakPolarHBondContact O-CG 3.29Å; P223-A227 WeakPolarHBondContact O-CB 3.42Å; P223-A227 PolarHBondContact O-N 3.06Å; P223-M266 HydrophobicContact CB-CE 3.9Å; P223-M266 HydrophobicContact CB-SD 4.09Å; P223-T389 HydrophobicContact CB-CG2 3.56Å; P223-T389 WeakPolarHBondContact O-CG2 3.36Å; P223-M393 HydrophobicContact CB-CG 3.78Å; P223-M393 HydrophobicContact CB-SD 3.59Å; P223-M393 VanDerWaalsContact CB-SD 3.59Å; P223-M393 HydrophobicContact CG-CG 4.38Å; P223-M393 HydrophobicContact CG-SD 4.12Å; P223-K414 HydrophobicContact CG-CB 3.95Å; P223-K414 HydrophobicContact CG-CD 4.47Å; P223-K414 HydrophobicContact CG-CG 3.96Å; P223-L422 HydrophobicContact CG-CD2 4.09Å
224	L	98.4	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.9	-47.4	-178.5	-45.5	178.1	0	0	0	110.6	L217 V221 K222 Y226 A227 I228 L295 M298 M363 L367 L422	L217-L224 HydrophobicContact CD1-CD1 4.37Å; V221-L224 WeakPolarHBondContact O-CA 3.3Å; V221-L224 WeakPolarHBondContact O-CB 3.19Å; V221-L224 PolarHBondContact O-N 2.82Å; K222-L224 PolarHBondContact O-N 2.85Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 3.42Å; L224-A227 WeakPolarHBondContact O-CB 3.28Å; L224-A227 PolarHBondContact O-N 2.68Å; L224-A227 VanDerWaalsContact O-N 3.17Å; L224-I228 WeakPolarHBondContact O-CD1 3.38Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.37Å; L224-I228 PolarHBondContact O-N 2.9Å; L224-L295 HydrophobicContact CB-CD2 3.73Å; L224-L295 HydrophobicContact CD1-CD2 3.55Å; L224-L295 HydrophobicContact CG-CD2 4.25Å; L224-M298 HydrophobicContact CD2-CE 3.72Å; L224-M298 HydrophobicContact CD2-SD 4.37Å; L224-M363 HydrophobicContact CD1-SD 3.7Å; L224-L367 HydrophobicContact CD2-CD1 4.06Å; L224-L422 HydrophobicContact CD2-CD2 4.15Å
225	T	97.9	Very high	97.5	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-35.6	177.6	58.5	0	0	0	0	112.5	V221 K222 S229 V291 L350	V221-T225 HydrophobicContact CG2-CG2 4.09Å; V221-T225 PolarHBondContact O-N 3.34Å; V221-T225 PolarHBondContact O-OG1 3.41Å; K222-T225 PolarHBondContact O-OG1 2.87Å; K222-T225 VanDerWaalsContact O-OG1 3.11Å; T225-S229 WeakPolarHBondContact O-CB 3.45Å; T225-S229 PolarHBondContact O-N 3.35Å; T225-S229 PolarHBondContact O-OG 3.31Å; T225-V291 HydrophobicContact CG2-CG1 4.22Å; T225-L350 HydrophobicContact CG2-CD1 3.78Å
226	Y	98.6	Very high	97.6	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-45.3	170.8	171.2	-103.5	0	0	0	111.8	K222 L224 I228 S229 I230 V238 H239 P265 V274 N388 T389 L392	K222-Y226 WeakPolarHBondContact O-CB 3.43Å; K222-Y226 PolarHBondContact O-N 3.23Å; K222-Y226 VanDerWaalsContact O-N 3.09Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 3.42Å; Y226-I228 VanDerWaalsContact C-N 3.34Å; Y226-I228 PolarHBondContact O-N 2.77Å; Y226-S229 PolarHBondContact O-N 3.35Å; Y226-S229 VanDerWaalsContact O-N 3.15Å; Y226-I230 HydrophobicContact CD1-CG1 4.44Å; Y226-I230 HydrophobicContact CD2-CD1 4.43Å; Y226-I230 HydrophobicContact CD2-CG1 4.06Å; Y226-I230 HydrophobicContact CE1-CG1 3.98Å; Y226-I230 HydrophobicContact CE2-CD1 3.6Å; Y226-I230 HydrophobicContact CE2-CG1 3.58Å; Y226-I230 HydrophobicContact CG-CG1 4.47Å; Y226-I230 WeakPolarHBondContact O-CG1 3.05Å; Y226-I230 PolarHBondContact O-N 3.3Å; Y226-V238 HydrophobicContact CD2-CG1 4.19Å; Y226-V238 HydrophobicContact CE2-CG1 3.97Å; Y226-H239 AromaticContact CE2-CE1 3.88Å; Y226-H239 AromaticContact CE2-NE2 3.59Å; Y226-H239 AromaticContact CZ-NE2 3.56Å; Y226-H239 PolarHBondContact OH-CE1 3.29Å; Y226-H239 PolarHBondContact OH-NE2 2.92Å; Y226-P265 HydrophobicContact CD1-CG 4.12Å; Y226-P265 HydrophobicContact CD2-CB 3.72Å; Y226-P265 HydrophobicContact CD2-CG 3.57Å; Y226-P265 HydrophobicContact CE1-CG 4.43Å; Y226-P265 HydrophobicContact CE2-CB 4.45Å; Y226-P265 HydrophobicContact CE2-CG 3.89Å; Y226-P265 HydrophobicContact CG-CB 3.87Å; Y226-P265 HydrophobicContact CG-CG 3.69Å; Y226-V274 HydrophobicContact CD2-CG2 4.32Å; Y226-N388 HydrophobicContact CE1-CB 4.16Å; Y226-N388 WeakPolarHBondContact OH-CB 3.4Å; Y226-T389 VanDerWaalsContact CD1-OG1 3.25Å; Y226-T389 WeakPolarHBondContact CD1-OG1 3.28Å; Y226-L392 HydrophobicContact CD1-CD1 4.37Å; Y226-L392 HydrophobicContact CE1-CD1 3.61Å; Y226-L392 HydrophobicContact CE2-CD1 4.26Å; Y226-L392 WeakPolarHBondContact OH-CD1 3.3Å
227	A	98.5	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-42	176.3	0	0	0	0	0	112.7	P223 L224 S229 I230 S231 L381 A385 T389	P223-A227 WeakPolarHBondContact O-CB 3.42Å; P223-A227 PolarHBondContact O-N 3.06Å; L224-A227 WeakPolarHBondContact O-CB 3.28Å; L224-A227 PolarHBondContact O-N 2.68Å; L224-A227 VanDerWaalsContact O-N 3.17Å; A227-S229 VanDerWaalsContact C-N 3.35Å; A227-I230 PolarHBondContact O-N 3.14Å; A227-S231 WeakPolarHBondContact O-CB 3.44Å; A227-S231 PolarHBondContact O-N 2.81Å; A227-S231 PolarHBondContact O-OG 2.87Å; A227-L381 HydrophobicContact CB-CD1 3.8Å; A227-L381 HydrophobicContact CB-CD2 4.1Å; A227-A385 VanDerWaalsContact O-CB 3.26Å; A227-A385 WeakPolarHBondContact O-CB 3.45Å; A227-T389 HydrophobicContact CB-CG2 4.47Å; A227-T389 WeakPolarHBondContact CB-OG1 3.41Å
228	I	98.2	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-43.4	175.3	-65.1	161.9	0	0	0	110.2	L224 Y226 S231 T232 F290 V291 Y294 L381	L224-I228 WeakPolarHBondContact O-CD1 3.38Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.37Å; L224-I228 PolarHBondContact O-N 2.9Å; Y226-I228 VanDerWaalsContact C-N 3.34Å; Y226-I228 PolarHBondContact O-N 2.77Å; I228-S231 PolarHBondContact O-N 3.24Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 VanDerWaalsContact O-CG2 3.32Å; I228-T232 WeakPolarHBondContact O-CG2 3.29Å; I228-T232 PolarHBondContact O-N 3.43Å; I228-T232 VanDerWaalsContact O-N 3.09Å; I228-T232 PolarHBondContact O-OG1 3.3Å; I228-F290 HydrophobicContact CG2-CE1 4.01Å; I228-V291 HydrophobicContact CD1-CG1 3.98Å; I228-Y294 VanDerWaalsContact CD1-CB 3.5Å; I228-Y294 HydrophobicContact CD1-CG 4.17Å; I228-Y294 HydrophobicContact CG1-CD1 3.82Å; I228-Y294 HydrophobicContact CG1-CG 3.92Å; I228-Y294 HydrophobicContact CG2-CD1 4.23Å; I228-Y294 HydrophobicContact CG2-CD2 4.27Å; I228-Y294 HydrophobicContact CG2-CG 4.09Å; I228-L381 HydrophobicContact CG1-CD2 4.13Å
229	S	97.8	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-42	179.2	-57.9	0	0	0	0	112.4	T225 Y226 A227 T232 L233 V274	T225-S229 WeakPolarHBondContact O-CB 3.45Å; T225-S229 PolarHBondContact O-N 3.35Å; T225-S229 PolarHBondContact O-OG 3.31Å; Y226-S229 PolarHBondContact O-N 3.35Å; Y226-S229 VanDerWaalsContact O-N 3.15Å; A227-S229 VanDerWaalsContact C-N 3.35Å; S229-T232 PolarHBondContact O-N 2.83Å; S229-T232 PolarHBondContact O-OG1 3.2Å; S229-L233 WeakPolarHBondContact O-CB 3.32Å; S229-L233 PolarHBondContact O-N 3.48Å; S229-V274 WeakPolarHBondContact OG-CG1 3.42Å
230	I	98.2	Very high	97.8	Very high	3 Å²	3	27 Å²	27	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-40.8	174.9	-60	-75.9	0	0	0	110.8	Y226 A227 T232 G234 V238 E384 A385	Y226-I230 HydrophobicContact CD1-CG1 4.44Å; Y226-I230 HydrophobicContact CD2-CD1 4.43Å; Y226-I230 HydrophobicContact CD2-CG1 4.06Å; Y226-I230 HydrophobicContact CE1-CG1 3.98Å; Y226-I230 HydrophobicContact CE2-CD1 3.6Å; Y226-I230 HydrophobicContact CE2-CG1 3.58Å; Y226-I230 HydrophobicContact CG-CG1 4.47Å; Y226-I230 WeakPolarHBondContact O-CG1 3.05Å; Y226-I230 PolarHBondContact O-N 3.3Å; A227-I230 PolarHBondContact O-N 3.14Å; I230-T232 PolarHBondContact O-N 2.99Å; I230-G234 VanDerWaalsContact O-CA 3.26Å; I230-G234 WeakPolarHBondContact O-CA 3.44Å; I230-G234 PolarHBondContact O-N 3.05Å; I230-V238 HydrophobicContact CD1-CB 3.66Å; I230-V238 HydrophobicContact CD1-CG1 3.88Å; I230-V238 HydrophobicContact CD1-CG2 3.86Å; I230-V238 HydrophobicContact CG1-CG2 4.47Å; I230-E384 HydrophobicContact CG2-CG 4.42Å; I230-A385 HydrophobicContact CB-CB 3.7Å; I230-A385 HydrophobicContact CG2-CB 3.68Å
231	S	97.4	Very high	97.7	Very high	35 Å²	35	28.6 Å²	28.6	25%	0.245	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-23.5	179	-59	0	0	0	0	113.4	A227 I228 L381 S382 A385	A227-S231 WeakPolarHBondContact O-CB 3.44Å; A227-S231 PolarHBondContact O-N 2.81Å; A227-S231 PolarHBondContact O-OG 2.87Å; I228-S231 PolarHBondContact O-N 3.24Å; S231-L381 WeakPolarHBondContact OG-CD2 3.29Å; S231-S382 PolarHBondContact OG-N 2.82Å; S231-S382 VanDerWaalsContact OG-N 3.11Å; S231-A385 WeakPolarHBondContact OG-CB 3.43Å
232	T	96.4	Very high	97.6	Very high	59 Å²	59	28.5 Å²	28.5	36%	0.362	15%	0.149	S	C	.	.	H	α-helix	trans	-104.8	-27.3	-175.4	51.2	0	0	0	0	114.1	I228 S229 I230 F290	I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 VanDerWaalsContact O-CG2 3.32Å; I228-T232 WeakPolarHBondContact O-CG2 3.29Å; I228-T232 PolarHBondContact O-N 3.43Å; I228-T232 VanDerWaalsContact O-N 3.09Å; I228-T232 PolarHBondContact O-OG1 3.3Å; S229-T232 PolarHBondContact O-N 2.83Å; S229-T232 PolarHBondContact O-OG1 3.2Å; I230-T232 PolarHBondContact O-N 2.99Å; T232-F290 HydrophobicContact CG2-CE1 4.28Å; T232-F290 HydrophobicContact CG2-CZ 3.85Å
233	L	97	Very high	97.5	Very high	60 Å²	60	28.8 Å²	28.8	31%	0.314	15%	0.153	S	C	.	.	H	α-helix	trans	-120.8	-12.7	-175	-55.2	173.2	0	0	0	113.9	S229 Y237 V238 L277	S229-L233 WeakPolarHBondContact O-CB 3.32Å; S229-L233 PolarHBondContact O-N 3.48Å; L233-Y237 HydrophobicContact CB-CD1 3.91Å; L233-Y237 HydrophobicContact CB-CG 4.4Å; L233-Y237 HydrophobicContact CD1-CD1 3.94Å; L233-Y237 HydrophobicContact CD1-CE1 4.12Å; L233-Y237 HydrophobicContact CG-CD1 4.4Å; L233-Y237 VanDerWaalsContact O-CB 3.28Å; L233-Y237 WeakPolarHBondContact O-CB 3.33Å; L233-V238 HydrophobicContact CB-CG2 4.17Å; L233-V238 HydrophobicContact CD1-CG2 4.44Å; L233-L277 HydrophobicContact CD1-CB 3.77Å
234	G	97.4	Very high	97.4	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	18%	0.177	S	C	.	.			trans	78.6	156.3	-175	0	0	0	0	0	114.3	I230 D236 Y237 V238	I230-G234 VanDerWaalsContact O-CA 3.26Å; I230-G234 WeakPolarHBondContact O-CA 3.44Å; I230-G234 PolarHBondContact O-N 3.05Å; G234-D236 PolarHBondContact O-N 2.86Å; G234-Y237 PolarHBondContact O-N 3.21Å; G234-V238 PolarHBondContact O-N 3.45Å
235	T	97.6	Very high	97.1	Very high	13 Å²	13	41 Å²	41	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-45.8	-177.2	-60.5	0	0	0	0	112.9	Y237 V238 H239 E384 N388	T235-Y237 VanDerWaalsContact C-N 3.27Å; T235-Y237 PolarHBondContact O-N 3.43Å; T235-V238 PolarHBondContact O-N 3.1Å; T235-H239 WeakPolarHBondContact O-CB 3.34Å; T235-H239 PolarHBondContact O-CD2 3.39Å; T235-H239 PolarHBondContact O-N 2.82Å; T235-E384 VanDerWaalsContact CB-OE1 3.22Å; T235-E384 WeakPolarHBondContact CB-OE1 3.42Å; T235-E384 VanDerWaalsContact OG1-CD 3.22Å; T235-E384 PolarHBondContact OG1-OE1 2.79Å; T235-N388 PolarHBondContact OG1-ND2 3.24Å
236	D	97.3	Very high	96.7	Very high	129 Å²	129	44.3 Å²	44.3	69%	0.69	23%	0.229	S	C	*	.	H	α-helix	trans	-70.1	-22.5	-174.3	-64.4	-22.7	0	0	0	113.4	G234 K240	G234-D236 PolarHBondContact O-N 2.86Å; D236-K240 WeakPolarHBondContact O-CD 3.43Å; D236-K240 WeakPolarHBondContact O-CE 3.32Å; D236-K240 WeakPolarHBondContact O-CG 3.37Å
237	Y	97.2	Very high	96	Very high	71 Å²	71	45.6 Å²	45.6	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-80.3	-52.2	173.4	-172.9	-92.6	0	0	0	111	L233 G234 T235 H239 K240 F241 L277 M280	L233-Y237 HydrophobicContact CB-CD1 3.91Å; L233-Y237 HydrophobicContact CB-CG 4.4Å; L233-Y237 HydrophobicContact CD1-CD1 3.94Å; L233-Y237 HydrophobicContact CD1-CE1 4.12Å; L233-Y237 HydrophobicContact CG-CD1 4.4Å; L233-Y237 VanDerWaalsContact O-CB 3.28Å; L233-Y237 WeakPolarHBondContact O-CB 3.33Å; G234-Y237 PolarHBondContact O-N 3.21Å; T235-Y237 VanDerWaalsContact C-N 3.27Å; T235-Y237 PolarHBondContact O-N 3.43Å; Y237-H239 VanDerWaalsContact C-N 3.31Å; Y237-H239 PolarHBondContact O-N 3.15Å; Y237-K240 WeakPolarHBondContact O-CB 3.27Å; Y237-K240 PolarHBondContact O-N 2.99Å; Y237-F241 HydrophobicContact CD1-CE2 4.36Å; Y237-F241 HydrophobicContact CE1-CD2 4.47Å; Y237-F241 AromaticContact CE1-CE2 3.81Å; Y237-F241 HydrophobicContact CE1-CE2 3.81Å; Y237-F241 HydrophobicContact CE2-CE2 4.31Å; Y237-F241 AromaticContact CZ-CE2 3.78Å; Y237-F241 WeakPolarHBondContact O-CD2 3.47Å; Y237-L277 HydrophobicContact CE1-CD2 4.45Å; Y237-M280 WeakPolarHBondContact OH-CE 3.34Å
238	V	97.6	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-43.1	-177.5	174.6	0	0	0	0	111.2	Y226 I230 L233 G234 T235 K240 F241 V242 L277	Y226-V238 HydrophobicContact CD2-CG1 4.19Å; Y226-V238 HydrophobicContact CE2-CG1 3.97Å; I230-V238 HydrophobicContact CD1-CB 3.66Å; I230-V238 HydrophobicContact CD1-CG1 3.88Å; I230-V238 HydrophobicContact CD1-CG2 3.86Å; I230-V238 HydrophobicContact CG1-CG2 4.47Å; L233-V238 HydrophobicContact CB-CG2 4.17Å; L233-V238 HydrophobicContact CD1-CG2 4.44Å; G234-V238 PolarHBondContact O-N 3.45Å; T235-V238 PolarHBondContact O-N 3.1Å; V238-K240 PolarHBondContact O-N 3.11Å; V238-F241 PolarHBondContact O-N 2.83Å; V238-V242 HydrophobicContact CG1-CG1 3.89Å; V238-V242 PolarHBondContact O-N 3.36Å; V238-L277 HydrophobicContact CB-CD1 4.2Å; V238-L277 HydrophobicContact CG1-CD1 4Å; V238-L277 HydrophobicContact CG2-CD1 4.08Å
239	H	97.5	Very high	93.6	Very high	25 Å²	25	52.7 Å²	52.7	12%	0.116	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3.8	-177	-74.5	-69.8	0	0	0	116	Y226 T235 Y237 V242 G243 K244	Y226-H239 AromaticContact CE2-CE1 3.88Å; Y226-H239 AromaticContact CE2-NE2 3.59Å; Y226-H239 AromaticContact CZ-NE2 3.56Å; Y226-H239 PolarHBondContact OH-CE1 3.29Å; Y226-H239 PolarHBondContact OH-NE2 2.92Å; T235-H239 WeakPolarHBondContact O-CB 3.34Å; T235-H239 PolarHBondContact O-CD2 3.39Å; T235-H239 PolarHBondContact O-N 2.82Å; Y237-H239 VanDerWaalsContact C-N 3.31Å; Y237-H239 PolarHBondContact O-N 3.15Å; H239-V242 WeakPolarHBondContact CA-O 3.27Å; H239-V242 PolarHBondContact ND1-O 3.24Å; H239-G243 PolarHBondContact CE1-O 3.46Å; H239-G243 PolarHBondContact ND1-O 2.92Å; H239-K244 VanDerWaalsContact CD2-CE 3.45Å; H239-K244 WeakPolarHBondContact CD2-CE 3.37Å; H239-K244 VanDerWaalsContact CE1-CG 3.43Å; H239-K244 WeakPolarHBondContact CE1-CG 3.29Å; H239-K244 WeakPolarHBondContact ND1-CG 3.47Å
240	K	96.6	Very high	92.2	Very high	138 Å²	138	62 Å²	62	60%	0.6	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-18	161.7	-70.8	162.2	-175.8	166.2	0	112.5	D236 Y237 V238	D236-K240 WeakPolarHBondContact O-CD 3.43Å; D236-K240 WeakPolarHBondContact O-CE 3.32Å; D236-K240 WeakPolarHBondContact O-CG 3.37Å; Y237-K240 WeakPolarHBondContact O-CB 3.27Å; Y237-K240 PolarHBondContact O-N 2.99Å; V238-K240 PolarHBondContact O-N 3.11Å
241	F	96.8	Very high	90.6	Very high	35 Å²	35	65.5 Å²	65.5	15%	0.154	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-16.1	-173.5	-56.8	-83.3	0	0	0	113.6	Y237 V238 P262 V273 L277 P335	Y237-F241 HydrophobicContact CD1-CE2 4.36Å; Y237-F241 HydrophobicContact CE1-CD2 4.47Å; Y237-F241 AromaticContact CE1-CE2 3.81Å; Y237-F241 HydrophobicContact CE1-CE2 3.81Å; Y237-F241 HydrophobicContact CE2-CE2 4.31Å; Y237-F241 AromaticContact CZ-CE2 3.78Å; Y237-F241 WeakPolarHBondContact O-CD2 3.47Å; V238-F241 PolarHBondContact O-N 2.83Å; F241-P262 VanDerWaalsContact O-CD 3.31Å; F241-P262 WeakPolarHBondContact O-CD 3.33Å; F241-V273 HydrophobicContact CB-CG1 3.58Å; F241-L277 HydrophobicContact CB-CD2 4.38Å; F241-L277 HydrophobicContact CD2-CD1 4.33Å; F241-L277 HydrophobicContact CD2-CD2 3.74Å; F241-L277 HydrophobicContact CE2-CD2 4.12Å; F241-L277 HydrophobicContact CG-CD2 4Å; F241-P335 HydrophobicContact CD1-CG 4.4Å; F241-P335 HydrophobicContact CE1-CB 4.23Å; F241-P335 HydrophobicContact CE1-CG 3.93Å; F241-P335 HydrophobicContact CE2-CG 4.47Å; F241-P335 HydrophobicContact CZ-CB 4.18Å; F241-P335 HydrophobicContact CZ-CG 3.96Å
242	V	96.9	Very high	88.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-143.1	138.1	177.7	65.3	0	0	0	0	111	V238 H239 P262 N264 V274	V238-V242 HydrophobicContact CG1-CG1 3.89Å; V238-V242 PolarHBondContact O-N 3.36Å; H239-V242 WeakPolarHBondContact CA-O 3.27Å; H239-V242 PolarHBondContact ND1-O 3.24Å; V242-P262 HydrophobicContact CG2-CB 4.37Å; V242-N264 VanDerWaalsContact CG2-C 3.42Å; V242-V274 HydrophobicContact CG1-CG2 4.25Å
243	G	96	Very high	87.8	Confident	7 Å²	7	70.9 Å²	70.9	7%	0.072	36%	0.362	C	S	.	.			trans	-72.2	-173.6	178.6	0	0	0	0	0	114.2	H239 P262 H263	H239-G243 PolarHBondContact CE1-O 3.46Å; H239-G243 PolarHBondContact ND1-O 2.92Å; G243-P262 PolarHBondContact N-O 2.91Å; G243-H263 CarbonylContact C-O 3.53Å; G243-H263 WeakPolarHBondContact CA-O 3.36Å
244	K	95.3	Very high	86.8	Confident	116 Å²	116	72.2 Å²	72.2	50%	0.504	37%	0.369	S	S	.	.	S	Bend	trans	-122.5	3.6	-175.8	-64.9	173.2	-176.3	174.4	0	113.5	H239 H263 L392	H239-K244 VanDerWaalsContact CD2-CE 3.45Å; H239-K244 WeakPolarHBondContact CD2-CE 3.37Å; H239-K244 VanDerWaalsContact CE1-CG 3.43Å; H239-K244 WeakPolarHBondContact CE1-CG 3.29Å; H239-K244 WeakPolarHBondContact ND1-CG 3.47Å; K244-H263 PolarHBondContact N-O 2.91Å; K244-H263 VanDerWaalsContact N-O 3.15Å; K244-L392 WeakPolarHBondContact O-CD2 3.25Å
245	E	92.1	Very high	85.9	Confident	141 Å²	141	72.4 Å²	72.4	66%	0.659	37%	0.366	S	S	*	.	S	Bend	trans	-119.7	152.7	-164.3	-68	-167.1	174.3	0	0	112.9	H263 N264	E245-H263 PolarHBondContact N-O 2.83Å; E245-H263 VanDerWaalsContact N-O 3.13Å; E245-H263 CarbonylContact O-C 3.5Å; E245-H263 VanDerWaalsContact O-O 3.11Å; E245-N264 WeakPolarHBondContact O-CB 3.18Å; E245-N264 PolarHBondContact O-ND2 3.09Å
246	P	90.4	Very high	85.5	Confident	72 Å²	72	73 Å²	73	47%	0.468	37%	0.369	S	S	.	.			trans	-62.9	148	170	28.2	-35.2	0	0	0	110.6	G248 C396	P246-G248 VanDerWaalsContact C-N 3.28Å; P246-G248 PolarHBondContact O-N 3.09Å; P246-C396 VanDerWaalsContact CA-SG 3.57Å
247	S	83.5	Confident	85.1	Confident	28 Å²	28	68.6 Å²	68.6	20%	0.196	35%	0.345	C	S	.	.			trans	-69.9	-21.9	-179.7	50.4	0	0	0	0	114.1	L249	S247-L249 WeakPolarHBondContact O-CG 3.25Å; S247-L249 PolarHBondContact O-N 2.92Å; S247-L249 PolarHBondContact OG-O 3.42Å
248	G	76.9	Confident	84.6	Confident	80 Å²	80	75.1 Å²	75.1	83%	0.825	38%	0.378	S	S	*	.	S	Bend	trans	62.3	-3	-168.4	0	0	0	0	0	114.7	P246	P246-G248 VanDerWaalsContact C-N 3.28Å; P246-G248 PolarHBondContact O-N 3.09Å
249	L	70.6	Confident	84.2	Confident	69 Å²	69	82.3 Å²	82.3	36%	0.361	41%	0.412	S	S	.	.	S	Bend	trans	-117.3	148.1	-175.5	-65.5	170.6	0	0	0	109.2	S247 Y251 K253	S247-L249 WeakPolarHBondContact O-CG 3.25Å; S247-L249 PolarHBondContact O-N 2.92Å; S247-L249 PolarHBondContact OG-O 3.42Å; L249-Y251 PolarHBondContact O-N 3.3Å; L249-K253 HydrophobicContact CD1-CD 4.24Å; L249-K253 HydrophobicContact CD2-CD 4.38Å
250	R	67.6	Low	83.9	Confident	195 Å²	195	82.3 Å²	82.3	74%	0.736	42%	0.419	S	S	*	.			trans	-48	133.5	175.3	-65.8	-168.6	178.4	170.4	-0.5	111	N252 K253 D400	R250-N252 PolarHBondContact O-N 3.39Å; R250-K253 PolarHBondContact O-N 3.22Å; R250-D400 WeakPolarHBondContact CA-OD1 3.41Å; R250-D400 WeakPolarHBondContact CA-OD2 3.39Å; R250-D400 WeakPolarHBondContact CB-OD2 3.48Å; R250-D400 WeakPolarHBondContact CG-OD2 3.3Å
251	Y	63.7	Low	83.8	Confident	78 Å²	78	76.8 Å²	76.8	31%	0.306	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-17.8	-178.3	79.9	-80.8	0	0	0	114	L249 R320 Y399 D400	L249-Y251 PolarHBondContact O-N 3.3Å; Y251-R320 PolarHBondContact O-NH2 3.46Å; Y251-Y399 HydrophobicContact CD2-CD1 4.06Å; Y251-Y399 HydrophobicContact CG-CD1 4.16Å; Y251-D400 WeakPolarHBondContact CD1-OD1 3.44Å; Y251-D400 PolarHBondContact N-OD1 2.85Å
252	N	62.1	Low	83.7	Confident	82 Å²	82	75.1 Å²	75.1	44%	0.439	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.7	176.3	-75.9	-29.1	0	0	0	115.4	R250 R320	R250-N252 PolarHBondContact O-N 3.39Å; N252-R320 VanDerWaalsContact CA-NH2 3.32Å; N252-R320 PolarHBondContact O-NH2 2.79Å; N252-R320 PolarHBondContact OD1-NH1 3.4Å
253	K	73.6	Confident	83.6	Confident	125 Å²	125	76.4 Å²	76.4	54%	0.543	39%	0.394	S	S	.	.	S	Bend	trans	-83.5	126.7	-177	-170.8	171.8	175.1	-173.1	0	111.8	L249 R250 S255	L249-K253 HydrophobicContact CD1-CD 4.24Å; L249-K253 HydrophobicContact CD2-CD 4.38Å; R250-K253 PolarHBondContact O-N 3.22Å; K253-S255 PolarHBondContact O-N 3.2Å; K253-S255 VanDerWaalsContact O-N 3.14Å; K253-S255 PolarHBondContact O-OG 2.86Å; K253-S255 VanDerWaalsContact O-OG 3.08Å
254	L	75.6	Confident	83.6	Confident	88 Å²	88	76.1 Å²	76.1	46%	0.461	39%	0.391	S	S	.	.			trans	-63.4	112.3	168	-62.2	174.7	0	0	0	108.6	I324	L254-I324 HydrophobicContact CD2-CD1 4.09Å; L254-I324 HydrophobicContact CD2-CG1 3.29Å
255	S	79.4	Confident	83.6	Confident	29 Å²	29	70.7 Å²	70.7	20%	0.203	37%	0.367	C	S	.	.			trans	-153.6	146.9	-176.6	42.1	0	0	0	0	110.9	K253	K253-S255 PolarHBondContact O-N 3.2Å; K253-S255 VanDerWaalsContact O-N 3.14Å; K253-S255 PolarHBondContact O-OG 2.86Å; K253-S255 VanDerWaalsContact O-OG 3.08Å
256	L	88.4	Confident	83.8	Confident	26 Å²	26	64.1 Å²	64.1	14%	0.136	34%	0.337	C	S	.	.			trans	-124.4	160.9	171.6	-60.2	170.2	0	0	0	106.5	I261 P262 H263 Y327 L328 K331	L256-I261 WeakPolarHBondContact CA-O 3.39Å; L256-I261 WeakPolarHBondContact CB-O 3.49Å; L256-P262 HydrophobicContact CD2-CB 4.42Å; L256-P262 HydrophobicContact CD2-CG 4.08Å; L256-H263 PolarHBondContact O-NE2 3.45Å; L256-Y327 HydrophobicContact CD1-CD1 4.24Å; L256-Y327 HydrophobicContact CD1-CE1 3.54Å; L256-Y327 HydrophobicContact CG-CE1 3.81Å; L256-L328 HydrophobicContact CD2-CD2 3.79Å; L256-K331 HydrophobicContact CD1-CB 4.16Å; L256-K331 HydrophobicContact CD1-CG 3.82Å
257	N	88.9	Confident	84	Confident	36 Å²	36	62.3 Å²	62.3	19%	0.193	32%	0.324	C	S	.	.			trans	-72.2	178.6	172	75.4	-10.2	0	0	0	111.4	E259 G260 I261	N257-E259 PolarHBondContact ND2-OE2 3.45Å; N257-E259 PolarHBondContact O-N 3.35Å; N257-E259 WeakPolarHBondContact OD1-CB 3.47Å; N257-E259 PolarHBondContact OD1-N 2.9Å; N257-G260 PolarHBondContact O-N 3.23Å; N257-G260 PolarHBondContact OD1-N 3.02Å; N257-I261 PolarHBondContact N-O 2.81Å; N257-I261 VanDerWaalsContact OD1-CG1 3.24Å; N257-I261 WeakPolarHBondContact OD1-CG1 3.5Å; N257-I261 PolarHBondContact OD1-N 2.85Å; N257-I261 PolarHBondContact OD1-O 3Å
258	E	88	Confident	84.5	Confident	208 Å²	208	62.5 Å²	62.5	97%	0.972	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25	-179.6	-57.8	-172.5	163.6	0	0	113.1	G260	E258-G260 VanDerWaalsContact C-N 3.26Å; E258-G260 PolarHBondContact O-N 3.34Å
259	E	88.4	Confident	85.3	Confident	150 Å²	150	59.3 Å²	59.3	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.7	176.7	-53	167.6	144.2	0	0	112.9	N257 I261	N257-E259 PolarHBondContact ND2-OE2 3.45Å; N257-E259 PolarHBondContact O-N 3.35Å; N257-E259 WeakPolarHBondContact OD1-CB 3.47Å; N257-E259 PolarHBondContact OD1-N 2.9Å; E259-I261 HydrophobicContact CB-CG1 4.3Å
260	G	91.3	Very high	86.6	Confident	26 Å²	26	56 Å²	56	27%	0.268	27%	0.272	S	S	.	.	S	Bend	trans	79.8	20	-179.3	0	0	0	0	0	114.7	N257 E258 C333	N257-G260 PolarHBondContact O-N 3.23Å; N257-G260 PolarHBondContact OD1-N 3.02Å; E258-G260 VanDerWaalsContact C-N 3.26Å; E258-G260 PolarHBondContact O-N 3.34Å; G260-C333 PolarHBondContact O-SG 3.01Å
261	I	94.2	Very high	87.9	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.108	24%	0.237	C	C	.	.	S	Bend	trans	-116.2	161.8	175.7	62.7	175.1	0	0	0	111.5	L256 N257 E259	L256-I261 WeakPolarHBondContact CA-O 3.39Å; L256-I261 WeakPolarHBondContact CB-O 3.49Å; N257-I261 PolarHBondContact N-O 2.81Å; N257-I261 VanDerWaalsContact OD1-CG1 3.24Å; N257-I261 WeakPolarHBondContact OD1-CG1 3.5Å; N257-I261 PolarHBondContact OD1-N 2.85Å; N257-I261 PolarHBondContact OD1-O 3Å; E259-I261 HydrophobicContact CB-CG1 4.3Å
262	P	95.1	Very high	89.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.			trans	-63.7	140.7	177	-19.8	32.6	0	0	0	111.7	F241 V242 G243 L256 N264 A269 V273 L328	F241-P262 VanDerWaalsContact O-CD 3.31Å; F241-P262 WeakPolarHBondContact O-CD 3.33Å; V242-P262 HydrophobicContact CG2-CB 4.37Å; G243-P262 PolarHBondContact N-O 2.91Å; L256-P262 HydrophobicContact CD2-CB 4.42Å; L256-P262 HydrophobicContact CD2-CG 4.08Å; P262-N264 VanDerWaalsContact C-N 3.35Å; P262-N264 PolarHBondContact O-N 3.35Å; P262-A269 HydrophobicContact CB-CB 3.95Å; P262-A269 HydrophobicContact CG-CB 4.12Å; P262-V273 HydrophobicContact CG-CB 4.49Å; P262-V273 HydrophobicContact CG-CG2 3.83Å; P262-L328 HydrophobicContact CG-CD2 3.74Å
263	H	94.5	Very high	91.2	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.125	20%	0.202	C	C	.	.	S	Bend	trans	-54.7	-41.3	-173.7	-67.2	-86	0	0	0	115.2	G243 K244 E245 L256	G243-H263 CarbonylContact C-O 3.53Å; G243-H263 WeakPolarHBondContact CA-O 3.36Å; K244-H263 PolarHBondContact N-O 2.91Å; K244-H263 VanDerWaalsContact N-O 3.15Å; E245-H263 PolarHBondContact N-O 2.83Å; E245-H263 VanDerWaalsContact N-O 3.13Å; E245-H263 CarbonylContact O-C 3.5Å; E245-H263 VanDerWaalsContact O-O 3.11Å; L256-H263 PolarHBondContact O-NE2 3.45Å
264	N	95.4	Very high	92.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	18%	0.176	C	C	.	.			trans	-162.8	162.9	-178.1	60.9	74.8	0	0	0	110.8	V242 E245 P262 M266 V267 G270 L392	V242-N264 VanDerWaalsContact CG2-C 3.42Å; E245-N264 WeakPolarHBondContact O-CB 3.18Å; E245-N264 PolarHBondContact O-ND2 3.09Å; P262-N264 VanDerWaalsContact C-N 3.35Å; P262-N264 PolarHBondContact O-N 3.35Å; N264-M266 VanDerWaalsContact C-N 3.28Å; N264-M266 PolarHBondContact O-N 2.88Å; N264-M266 WeakPolarHBondContact OD1-CA 3.29Å; N264-M266 WeakPolarHBondContact OD1-CB 3.35Å; N264-M266 PolarHBondContact OD1-N 3.24Å; N264-V267 VanDerWaalsContact O-CG2 3.29Å; N264-V267 WeakPolarHBondContact O-CG2 3.45Å; N264-V267 PolarHBondContact OD1-N 2.81Å; N264-G270 WeakPolarHBondContact O-CA 3.4Å; N264-L392 HydrophobicContact CB-CD2 4.48Å
265	P	96.9	Very high	93.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.9	178.7	28.5	-39	0	0	0	115.6	Y226 V274 L392	Y226-P265 HydrophobicContact CD1-CG 4.12Å; Y226-P265 HydrophobicContact CD2-CB 3.72Å; Y226-P265 HydrophobicContact CD2-CG 3.57Å; Y226-P265 HydrophobicContact CE1-CG 4.43Å; Y226-P265 HydrophobicContact CE2-CB 4.45Å; Y226-P265 HydrophobicContact CE2-CG 3.89Å; Y226-P265 HydrophobicContact CG-CB 3.87Å; Y226-P265 HydrophobicContact CG-CG 3.69Å; P265-V274 HydrophobicContact CB-CG2 4.01Å; P265-L392 HydrophobicContact CG-CD1 3.7Å
266	M	95.8	Very high	94.1	Very high	4 Å²	4	28 Å²	28	2%	0.02	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.3	-176.2	-54.8	-55.8	165.8	0	0	112.8	K222 P223 N264 L392 M393 C396 K414	K222-M266 VanDerWaalsContact CD-O 3.22Å; K222-M266 WeakPolarHBondContact CD-O 3.28Å; K222-M266 PolarHBondContact NZ-O 3.02Å; P223-M266 HydrophobicContact CB-CE 3.9Å; P223-M266 HydrophobicContact CB-SD 4.09Å; N264-M266 VanDerWaalsContact C-N 3.28Å; N264-M266 PolarHBondContact O-N 2.88Å; N264-M266 WeakPolarHBondContact OD1-CA 3.29Å; N264-M266 WeakPolarHBondContact OD1-CB 3.35Å; N264-M266 PolarHBondContact OD1-N 3.24Å; M266-L392 HydrophobicContact CE-CB 3.6Å; M266-L392 HydrophobicContact CG-CB 4.49Å; M266-M393 HydrophobicContact CE-CG 3.91Å; M266-M393 HydrophobicContact SD-CG 4.5Å; M266-C396 HydrophobicContact CB-CB 3.95Å; M266-C396 VanDerWaalsContact CB-O 3.29Å; M266-C396 WeakPolarHBondContact CB-O 3.49Å; M266-C396 HydrophobicContact CG-CB 3.91Å; M266-K414 HydrophobicContact CB-CD 4.46Å; M266-K414 HydrophobicContact SD-CD 3.96Å
267	V	93.8	Very high	94.5	Very high	34 Å²	34	26.8 Å²	26.8	21%	0.206	14%	0.14	C	C	.	.	S	Bend	trans	-83.2	156.1	170.1	-58.2	0	0	0	0	111.9	N264 A269 G270 A271	N264-V267 VanDerWaalsContact O-CG2 3.29Å; N264-V267 WeakPolarHBondContact O-CG2 3.45Å; N264-V267 PolarHBondContact OD1-N 2.81Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 2.9Å; V267-G270 PolarHBondContact O-N 3.46Å; V267-A271 PolarHBondContact O-N 2.82Å
268	N	94.3	Very high	94.7	Very high	31 Å²	31	25.1 Å²	25.1	17%	0.166	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-43.2	-176.2	-65.8	20.6	0	0	0	112.6	K222 G270 A271 I272 N321 I324 Y347	K222-N268 PolarHBondContact NZ-OD1 3.16Å; N268-G270 PolarHBondContact O-N 3.03Å; N268-A271 PolarHBondContact O-N 2.91Å; N268-I272 WeakPolarHBondContact O-CD1 3.45Å; N268-I272 VanDerWaalsContact O-CG1 3.24Å; N268-I272 WeakPolarHBondContact O-CG1 3.1Å; N268-I272 PolarHBondContact O-N 3.35Å; N268-N321 PolarHBondContact ND2-OD1 3.16Å; N268-I324 HydrophobicContact CB-CD1 3.97Å; N268-Y347 PolarHBondContact ND2-OH 3.4Å
269	A	94.8	Very high	94.7	Very high	14 Å²	14	20 Å²	20	12%	0.116	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-43.4	179.8	0	0	0	0	0	112.8	P262 V267 V273 I324 L328	P262-A269 HydrophobicContact CB-CB 3.95Å; P262-A269 HydrophobicContact CG-CB 4.12Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 2.9Å; A269-V273 WeakPolarHBondContact O-CG2 3.42Å; A269-V273 PolarHBondContact O-N 2.92Å; A269-V273 VanDerWaalsContact O-N 3.16Å; A269-I324 HydrophobicContact CB-CG2 3.72Å; A269-L328 HydrophobicContact CB-CD1 4.38Å
270	G	96	Very high	94.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-41.6	175.5	0	0	0	0	0	112.3	N264 V267 N268 I272 V273 V274	N264-G270 WeakPolarHBondContact O-CA 3.4Å; V267-G270 PolarHBondContact O-N 3.46Å; N268-G270 PolarHBondContact O-N 3.03Å; G270-I272 PolarHBondContact O-N 3.4Å; G270-V273 PolarHBondContact O-N 2.9Å; G270-V274 WeakPolarHBondContact O-CB 3.19Å; G270-V274 VanDerWaalsContact O-CG2 3.32Å; G270-V274 WeakPolarHBondContact O-CG2 3.46Å; G270-V274 PolarHBondContact O-N 3.24Å
271	A	96.6	Very high	94.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-37.5	177.2	0	0	0	0	0	113.6	K222 V267 N268 V274 S275 Y347	K222-A271 HydrophobicContact CB-CB 4.41Å; K222-A271 HydrophobicContact CD-CB 3.83Å; K222-A271 HydrophobicContact CG-CB 3.71Å; V267-A271 PolarHBondContact O-N 2.82Å; N268-A271 PolarHBondContact O-N 2.91Å; A271-V274 PolarHBondContact O-N 2.82Å; A271-S275 WeakPolarHBondContact O-CB 3.46Å; A271-S275 PolarHBondContact O-N 2.79Å; A271-S275 PolarHBondContact O-OG 2.89Å; A271-Y347 HydrophobicContact CB-CD2 4Å; A271-Y347 HydrophobicContact CB-CE2 3.65Å
272	I	96.8	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-42.5	174.9	-68.7	160.7	0	0	0	110.4	N268 G270 S275 S276 N321 I324 L328 F334 L344 Y347	N268-I272 WeakPolarHBondContact O-CD1 3.45Å; N268-I272 VanDerWaalsContact O-CG1 3.24Å; N268-I272 WeakPolarHBondContact O-CG1 3.1Å; N268-I272 PolarHBondContact O-N 3.35Å; G270-I272 PolarHBondContact O-N 3.4Å; I272-S275 PolarHBondContact O-N 3.08Å; I272-S276 PolarHBondContact O-N 3.07Å; I272-N321 HydrophobicContact CD1-CB 4.29Å; I272-I324 HydrophobicContact CD1-CB 4.33Å; I272-I324 HydrophobicContact CD1-CG2 3.77Å; I272-L328 HydrophobicContact CB-CD1 4.49Å; I272-L328 HydrophobicContact CG2-CD1 4.24Å; I272-F334 HydrophobicContact CG2-CE1 4.07Å; I272-F334 HydrophobicContact CG2-CZ 4.08Å; I272-L344 HydrophobicContact CD1-CD2 3.67Å; I272-L344 HydrophobicContact CG1-CD2 3.91Å; I272-L344 HydrophobicContact CG2-CD2 3.81Å; I272-L344 HydrophobicContact CG2-CG 4.46Å; I272-Y347 HydrophobicContact CD1-CD1 4.47Å; I272-Y347 HydrophobicContact CG1-CD1 3.94Å; I272-Y347 HydrophobicContact CG1-CD2 3.82Å; I272-Y347 HydrophobicContact CG1-CE1 4.32Å; I272-Y347 HydrophobicContact CG1-CE2 4.19Å; I272-Y347 HydrophobicContact CG1-CG 3.68Å
273	V	97.1	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-45.6	173.9	173.6	0	0	0	0	111.4	F241 P262 A269 G270 S275 S276 L277 L328 C333 F334	F241-V273 HydrophobicContact CB-CG1 3.58Å; P262-V273 HydrophobicContact CG-CB 4.49Å; P262-V273 HydrophobicContact CG-CG2 3.83Å; A269-V273 WeakPolarHBondContact O-CG2 3.42Å; A269-V273 PolarHBondContact O-N 2.92Å; A269-V273 VanDerWaalsContact O-N 3.16Å; G270-V273 PolarHBondContact O-N 2.9Å; V273-S275 VanDerWaalsContact C-N 3.31Å; V273-S275 PolarHBondContact O-N 2.92Å; V273-S276 WeakPolarHBondContact O-CA 3.21Å; V273-S276 VanDerWaalsContact O-CB 3.28Å; V273-S276 WeakPolarHBondContact O-CB 3.46Å; V273-S276 PolarHBondContact O-N 3.2Å; V273-S276 PolarHBondContact O-OG 3.32Å; V273-L277 PolarHBondContact O-N 3.1Å; V273-L328 HydrophobicContact CG2-CD1 3.86Å; V273-L328 HydrophobicContact CG2-CD2 4.12Å; V273-C333 HydrophobicContact CG2-CB 4.21Å; V273-F334 HydrophobicContact CG2-CE1 4.21Å
274	V	97.5	Very high	93.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-44.4	175.3	166.6	0	0	0	0	111.2	Y226 S229 V242 P265 G270 A271 S276 L277	Y226-V274 HydrophobicContact CD2-CG2 4.32Å; S229-V274 WeakPolarHBondContact OG-CG1 3.42Å; V242-V274 HydrophobicContact CG1-CG2 4.25Å; P265-V274 HydrophobicContact CB-CG2 4.01Å; G270-V274 WeakPolarHBondContact O-CB 3.19Å; G270-V274 VanDerWaalsContact O-CG2 3.32Å; G270-V274 WeakPolarHBondContact O-CG2 3.46Å; G270-V274 PolarHBondContact O-N 3.24Å; A271-V274 PolarHBondContact O-N 2.82Å; V274-S276 PolarHBondContact O-N 2.95Å; V274-L277 WeakPolarHBondContact O-CB 3.45Å; V274-L277 PolarHBondContact O-N 2.92Å
275	S	96.6	Very high	93.2	Very high	3 Å²	3	33 Å²	33	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-31.2	175.8	-55.7	0	0	0	0	112.5	A271 I272 V273 L277	A271-S275 WeakPolarHBondContact O-CB 3.46Å; A271-S275 PolarHBondContact O-N 2.79Å; A271-S275 PolarHBondContact O-OG 2.89Å; I272-S275 PolarHBondContact O-N 3.08Å; V273-S275 VanDerWaalsContact C-N 3.31Å; V273-S275 PolarHBondContact O-N 2.92Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.38Å
276	S	95.9	Very high	93	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-70.8	-24.1	176.4	85.7	0	0	0	0	114.1	I272 V273 V274 P335	I272-S276 PolarHBondContact O-N 3.07Å; V273-S276 WeakPolarHBondContact O-CA 3.21Å; V273-S276 VanDerWaalsContact O-CB 3.28Å; V273-S276 WeakPolarHBondContact O-CB 3.46Å; V273-S276 PolarHBondContact O-N 3.2Å; V273-S276 PolarHBondContact O-OG 3.32Å; V274-S276 PolarHBondContact O-N 2.95Å; S276-P335 WeakPolarHBondContact OG-CD 3.06Å
277	L	96.1	Very high	93	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-79.5	-22.4	-179.4	-51.8	-175.1	0	0	0	112.6	L233 Y237 V238 F241 V273 V274 S275 K279 P335	L233-L277 HydrophobicContact CD1-CB 3.77Å; Y237-L277 HydrophobicContact CE1-CD2 4.45Å; V238-L277 HydrophobicContact CB-CD1 4.2Å; V238-L277 HydrophobicContact CG1-CD1 4Å; V238-L277 HydrophobicContact CG2-CD1 4.08Å; F241-L277 HydrophobicContact CB-CD2 4.38Å; F241-L277 HydrophobicContact CD2-CD1 4.33Å; F241-L277 HydrophobicContact CD2-CD2 3.74Å; F241-L277 HydrophobicContact CE2-CD2 4.12Å; F241-L277 HydrophobicContact CG-CD2 4Å; V273-L277 PolarHBondContact O-N 3.1Å; V274-L277 WeakPolarHBondContact O-CB 3.45Å; V274-L277 PolarHBondContact O-N 2.92Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.38Å; L277-K279 PolarHBondContact O-N 2.87Å; L277-P335 HydrophobicContact CD2-CG 3.43Å; L277-P335 VanDerWaalsContact CD2-CG 3.43Å
278	I	93.3	Very high	93	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	122.7	-172.8	-61.7	174.3	0	0	0	110	M280 K287 F290 V291	I278-M280 PolarHBondContact O-N 2.86Å; I278-K287 PolarHBondContact O-NZ 2.99Å; I278-F290 HydrophobicContact CG2-CD1 3.92Å; I278-F290 HydrophobicContact CG2-CE1 4.35Å; I278-V291 HydrophobicContact CD1-CG2 3.77Å; I278-V291 HydrophobicContact CG2-CG2 3.84Å
279	K	88.1	Confident	93.1	Very high	99 Å²	99	40.1 Å²	40.1	43%	0.43	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.3	61.5	173.4	-75.7	-74.8	-169.8	170.8	0	111.7	L277 D281 C282 K287 F290	L277-K279 PolarHBondContact O-N 2.87Å; K279-D281 PolarHBondContact O-N 3.22Å; K279-D281 VanDerWaalsContact O-N 3.14Å; K279-C282 HydrophobicContact CB-CB 4.02Å; K279-C282 WeakPolarHBondContact O-CB 3.47Å; K279-C282 PolarHBondContact O-N 3.33Å; K279-K287 HydrophobicContact CB-CG 4.1Å; K279-K287 WeakPolarHBondContact O-CE 3.46Å; K279-K287 PolarHBondContact O-NZ 2.82Å; K279-F290 HydrophobicContact CD-CD2 4.44Å; K279-F290 HydrophobicContact CD-CE2 4.49Å; K279-F290 VanDerWaalsContact CE-CD2 3.43Å; K279-F290 HydrophobicContact CG-CB 4.32Å; K279-F290 HydrophobicContact CG-CD1 3.66Å; K279-F290 HydrophobicContact CG-CD2 4.2Å; K279-F290 HydrophobicContact CG-CE1 3.96Å; K279-F290 HydrophobicContact CG-CE2 4.46Å; K279-F290 HydrophobicContact CG-CG 3.78Å; K279-F290 HydrophobicContact CG-CZ 4.35Å
280	M	84.1	Confident	93.2	Very high	63 Å²	63	40.9 Å²	40.9	31%	0.31	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.6	-168	-70.8	-178.1	-68.2	0	0	113.2	Y237 I278 C282 K287 P335 V338	Y237-M280 WeakPolarHBondContact OH-CE 3.34Å; I278-M280 PolarHBondContact O-N 2.86Å; M280-C282 VanDerWaalsContact C-N 3.34Å; M280-C282 PolarHBondContact O-N 3.02Å; M280-K287 PolarHBondContact O-NZ 3.35Å; M280-K287 VanDerWaalsContact O-NZ 3.08Å; M280-P335 HydrophobicContact SD-CB 3.9Å; M280-P335 HydrophobicContact SD-CG 3.99Å; M280-V338 HydrophobicContact CG-CG2 4.36Å; M280-V338 HydrophobicContact SD-CG2 4.38Å
281	D	85.3	Confident	93.2	Very high	163 Å²	163	40.9 Å²	40.9	87%	0.872	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.1	-175.4	-43.6	-71.9	0	0	0	115.3	K279	K279-D281 PolarHBondContact O-N 3.22Å; K279-D281 VanDerWaalsContact O-N 3.14Å
282	C	87.6	Confident	93.2	Very high	45 Å²	45	42.7 Å²	42.7	30%	0.304	22%	0.222	S	C	.	.	S	Bend	trans	-90.8	162.5	-178.4	-70.2	0	0	0	0	113	K279 M280 E286 K287	K279-C282 HydrophobicContact CB-CB 4.02Å; K279-C282 WeakPolarHBondContact O-CB 3.47Å; K279-C282 PolarHBondContact O-N 3.33Å; M280-C282 VanDerWaalsContact C-N 3.34Å; M280-C282 PolarHBondContact O-N 3.02Å; C282-E286 WeakPolarHBondContact CA-OE2 3.49Å; C282-E286 HydrophobicContact CB-CB 3.84Å; C282-E286 VanDerWaalsContact CB-OE2 3.24Å; C282-E286 WeakPolarHBondContact CB-OE2 3.21Å; C282-K287 HydrophobicContact CB-CG 4.18Å; C282-K287 WeakPolarHBondContact O-CE 3.27Å
283	N	90.1	Very high	93.2	Very high	82 Å²	82	48.2 Å²	48.2	44%	0.439	25%	0.248	S	C	.	.			trans	-76.1	170.5	173.2	79.1	58	0	0	0	112.3	A285 E286 K287	N283-A285 VanDerWaalsContact C-N 3.34Å; N283-A285 PolarHBondContact O-N 3.29Å; N283-A285 WeakPolarHBondContact OD1-CB 3.04Å; N283-A285 PolarHBondContact OD1-N 3.31Å; N283-E286 PolarHBondContact N-OE2 3.26Å; N283-E286 WeakPolarHBondContact ND2-CG 3.42Å; N283-E286 PolarHBondContact ND2-OE1 3.05Å; N283-E286 PolarHBondContact ND2-OE2 3.08Å; N283-E286 PolarHBondContact O-N 2.99Å; N283-E286 PolarHBondContact OD1-N 2.79Å; N283-E286 VanDerWaalsContact OD1-N 3.13Å; N283-K287 WeakPolarHBondContact O-CG 3.42Å; N283-K287 PolarHBondContact O-N 2.97Å; N283-K287 VanDerWaalsContact O-N 3.1Å
284	K	89.3	Confident	93.3	Very high	93 Å²	93	50.9 Å²	50.9	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-39.1	-175.7	-65.4	-172.7	-176.3	-174.7	0	113.5	F288 A342 D345	K284-F288 PolarHBondContact O-N 3.39Å; K284-A342 HydrophobicContact CD-CB 4.43Å; K284-A342 HydrophobicContact CG-CB 4.37Å; K284-D345 IonicContact NZ-OD2 2.66Å; K284-D345 PolarHBondContact NZ-OD2 2.85Å
285	A	91.3	Very high	93.3	Very high	54 Å²	54	50.9 Å²	50.9	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-70.4	-48.1	-179.5	0	0	0	0	0	110.9	N283 K287 F288 D289	N283-A285 VanDerWaalsContact C-N 3.34Å; N283-A285 PolarHBondContact O-N 3.29Å; N283-A285 WeakPolarHBondContact OD1-CB 3.04Å; N283-A285 PolarHBondContact OD1-N 3.31Å; A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 2.87Å; A285-F288 WeakPolarHBondContact O-CB 3.41Å; A285-F288 PolarHBondContact O-N 2.85Å; A285-D289 PolarHBondContact O-N 3.37Å
286	E	93.6	Very high	93.3	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-56	-38.1	175.9	-72.4	166.1	176.4	0	0	113	C282 N283 F290	C282-E286 WeakPolarHBondContact CA-OE2 3.49Å; C282-E286 HydrophobicContact CB-CB 3.84Å; C282-E286 VanDerWaalsContact CB-OE2 3.24Å; C282-E286 WeakPolarHBondContact CB-OE2 3.21Å; N283-E286 PolarHBondContact N-OE2 3.26Å; N283-E286 WeakPolarHBondContact ND2-CG 3.42Å; N283-E286 PolarHBondContact ND2-OE1 3.05Å; N283-E286 PolarHBondContact ND2-OE2 3.08Å; N283-E286 PolarHBondContact O-N 2.99Å; N283-E286 PolarHBondContact OD1-N 2.79Å; N283-E286 VanDerWaalsContact OD1-N 3.13Å; E286-F290 WeakPolarHBondContact O-CB 3.07Å; E286-F290 PolarHBondContact O-N 3.2Å
287	K	94.2	Very high	93.4	Very high	22 Å²	22	56.5 Å²	56.5	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-42.3	174.6	-70.1	171.3	-168.1	-103.4	0	112.1	I278 K279 M280 C282 N283 A285 V291 L346	I278-K287 PolarHBondContact O-NZ 2.99Å; K279-K287 HydrophobicContact CB-CG 4.1Å; K279-K287 WeakPolarHBondContact O-CE 3.46Å; K279-K287 PolarHBondContact O-NZ 2.82Å; M280-K287 PolarHBondContact O-NZ 3.35Å; M280-K287 VanDerWaalsContact O-NZ 3.08Å; C282-K287 HydrophobicContact CB-CG 4.18Å; C282-K287 WeakPolarHBondContact O-CE 3.27Å; N283-K287 WeakPolarHBondContact O-CG 3.42Å; N283-K287 PolarHBondContact O-N 2.97Å; N283-K287 VanDerWaalsContact O-N 3.1Å; A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 2.87Å; K287-V291 WeakPolarHBondContact O-CG2 3.49Å; K287-V291 PolarHBondContact O-N 3.36Å; K287-L346 HydrophobicContact CB-CD1 4.33Å; K287-L346 HydrophobicContact CB-CD2 3.92Å; K287-L346 HydrophobicContact CD-CD2 4.34Å
288	F	95.4	Very high	93.6	Very high	21 Å²	21	56.5 Å²	56.5	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-49	178.2	179.5	-103.2	0	0	0	111.1	K284 A285 F290 V291 L292 F306 L346 Q349 L350 V353	K284-F288 PolarHBondContact O-N 3.39Å; A285-F288 WeakPolarHBondContact O-CB 3.41Å; A285-F288 PolarHBondContact O-N 2.85Å; F288-F290 VanDerWaalsContact C-N 3.3Å; F288-F290 PolarHBondContact O-N 3.31Å; F288-V291 PolarHBondContact O-N 3.43Å; F288-V291 VanDerWaalsContact O-N 3.16Å; F288-L292 HydrophobicContact CE1-CD2 3.91Å; F288-L292 HydrophobicContact CZ-CD2 4.31Å; F288-L292 WeakPolarHBondContact O-CB 3.37Å; F288-L292 PolarHBondContact O-N 2.94Å; F288-F306 HydrophobicContact CE2-CD2 4.13Å; F288-F306 HydrophobicContact CE2-CE2 4.16Å; F288-F306 AromaticContact CZ-CD2 3.63Å; F288-F306 HydrophobicContact CZ-CD2 3.63Å; F288-F306 HydrophobicContact CZ-CE2 4.01Å; F288-F306 HydrophobicContact CZ-CG 4.21Å; F288-L346 HydrophobicContact CB-CD1 4.04Å; F288-L346 HydrophobicContact CD2-CD1 4.34Å; F288-Q349 HydrophobicContact CD2-CB 3.72Å; F288-Q349 HydrophobicContact CE2-CB 3.79Å; F288-L350 HydrophobicContact CD2-CD2 4.05Å; F288-L350 HydrophobicContact CE2-CD2 4.17Å; F288-V353 HydrophobicContact CE2-CG2 3.97Å; F288-V353 HydrophobicContact CZ-CG2 4.21Å
289	D	95.9	Very high	93.8	Very high	81 Å²	81	56.4 Å²	56.4	43%	0.433	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-41	177.9	-66.9	-20.1	0	0	0	111.6	A285 V291 L292 Q293	A285-D289 PolarHBondContact O-N 3.37Å; D289-V291 PolarHBondContact O-N 3.11Å; D289-L292 PolarHBondContact O-N 2.83Å; D289-Q293 WeakPolarHBondContact O-CB 3.27Å; D289-Q293 VanDerWaalsContact O-CG 3.26Å; D289-Q293 WeakPolarHBondContact O-CG 3.42Å; D289-Q293 PolarHBondContact O-N 3.47Å
290	F	96.4	Very high	94.2	Very high	31 Å²	31	51.9 Å²	51.9	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-46.1	175.6	178.2	-101.6	0	0	0	112.5	I228 T232 I278 K279 E286 F288 Y294	I228-F290 HydrophobicContact CG2-CE1 4.01Å; T232-F290 HydrophobicContact CG2-CE1 4.28Å; T232-F290 HydrophobicContact CG2-CZ 3.85Å; I278-F290 HydrophobicContact CG2-CD1 3.92Å; I278-F290 HydrophobicContact CG2-CE1 4.35Å; K279-F290 HydrophobicContact CD-CD2 4.44Å; K279-F290 HydrophobicContact CD-CE2 4.49Å; K279-F290 VanDerWaalsContact CE-CD2 3.43Å; K279-F290 HydrophobicContact CG-CB 4.32Å; K279-F290 HydrophobicContact CG-CD1 3.66Å; K279-F290 HydrophobicContact CG-CD2 4.2Å; K279-F290 HydrophobicContact CG-CE1 3.96Å; K279-F290 HydrophobicContact CG-CE2 4.46Å; K279-F290 HydrophobicContact CG-CG 3.78Å; K279-F290 HydrophobicContact CG-CZ 4.35Å; E286-F290 WeakPolarHBondContact O-CB 3.07Å; E286-F290 PolarHBondContact O-N 3.2Å; F288-F290 VanDerWaalsContact C-N 3.3Å; F288-F290 PolarHBondContact O-N 3.31Å; F290-Y294 HydrophobicContact CD2-CE2 4.4Å; F290-Y294 HydrophobicContact CE1-CD2 4.34Å; F290-Y294 HydrophobicContact CE1-CE2 4.09Å; F290-Y294 HydrophobicContact CE2-CD2 4.27Å; F290-Y294 AromaticContact CE2-CE2 3.62Å; F290-Y294 HydrophobicContact CE2-CE2 3.62Å; F290-Y294 HydrophobicContact CZ-CD2 4.09Å; F290-Y294 AromaticContact CZ-CE2 3.44Å; F290-Y294 HydrophobicContact CZ-CE2 3.44Å; F290-Y294 VanDerWaalsContact CZ-CE2 3.44Å; F290-Y294 WeakPolarHBondContact O-CD2 3.45Å; F290-Y294 PolarHBondContact O-N 3.31Å
291	V	96.5	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-41.7	177.2	178.1	0	0	0	0	110.8	T225 I228 I278 K287 F288 D289 Q293 Y294 L295 L350	T225-V291 HydrophobicContact CG2-CG1 4.22Å; I228-V291 HydrophobicContact CD1-CG1 3.98Å; I278-V291 HydrophobicContact CD1-CG2 3.77Å; I278-V291 HydrophobicContact CG2-CG2 3.84Å; K287-V291 WeakPolarHBondContact O-CG2 3.49Å; K287-V291 PolarHBondContact O-N 3.36Å; F288-V291 PolarHBondContact O-N 3.43Å; F288-V291 VanDerWaalsContact O-N 3.16Å; D289-V291 PolarHBondContact O-N 3.11Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.09Å; V291-Y294 PolarHBondContact O-N 2.79Å; V291-Y294 VanDerWaalsContact O-N 3.14Å; V291-L295 HydrophobicContact CG1-CD1 4.14Å; V291-L295 HydrophobicContact CG1-CG 4.27Å; V291-L295 WeakPolarHBondContact O-CG 3.45Å; V291-L295 PolarHBondContact O-N 2.86Å; V291-L350 HydrophobicContact CB-CD2 3.87Å; V291-L350 HydrophobicContact CG1-CD1 4.23Å; V291-L350 HydrophobicContact CG1-CD2 3.46Å; V291-L350 VanDerWaalsContact CG1-CD2 3.46Å; V291-L350 HydrophobicContact CG1-CG 4.5Å; V291-L350 HydrophobicContact CG2-CD1 4.39Å; V291-L350 HydrophobicContact CG2-CD2 4.49Å
292	L	96.4	Very high	95.3	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-34.4	179.9	-172.2	60.3	0	0	0	112	F288 D289 L295 N296 M304 V353	F288-L292 HydrophobicContact CE1-CD2 3.91Å; F288-L292 HydrophobicContact CZ-CD2 4.31Å; F288-L292 WeakPolarHBondContact O-CB 3.37Å; F288-L292 PolarHBondContact O-N 2.94Å; D289-L292 PolarHBondContact O-N 2.83Å; L292-L295 PolarHBondContact O-N 2.69Å; L292-N296 WeakPolarHBondContact O-CB 3.28Å; L292-N296 PolarHBondContact O-N 2.75Å; L292-N296 PolarHBondContact O-ND2 2.88Å; L292-M304 HydrophobicContact CD1-CE 3.8Å; L292-V353 HydrophobicContact CD1-CG1 4.38Å
293	Q	97.1	Very high	95.8	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-45.7	171.1	-75.9	171.2	15.9	0	0	112.1	D289 V291 N296 K297	D289-Q293 WeakPolarHBondContact O-CB 3.27Å; D289-Q293 VanDerWaalsContact O-CG 3.26Å; D289-Q293 WeakPolarHBondContact O-CG 3.42Å; D289-Q293 PolarHBondContact O-N 3.47Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.09Å; Q293-N296 PolarHBondContact O-N 3.24Å; Q293-K297 WeakPolarHBondContact O-CG 3.29Å; Q293-K297 PolarHBondContact O-N 3.21Å; Q293-K297 VanDerWaalsContact O-N 3.07Å
294	Y	97.8	Very high	96.1	Very high	57 Å²	57	49.1 Å²	49.1	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.8	-89.6	-101	0	0	0	111.9	I228 F290 V291 N296 K297 M298 V380 L381	I228-Y294 VanDerWaalsContact CD1-CB 3.5Å; I228-Y294 HydrophobicContact CD1-CG 4.17Å; I228-Y294 HydrophobicContact CG1-CD1 3.82Å; I228-Y294 HydrophobicContact CG1-CG 3.92Å; I228-Y294 HydrophobicContact CG2-CD1 4.23Å; I228-Y294 HydrophobicContact CG2-CD2 4.27Å; I228-Y294 HydrophobicContact CG2-CG 4.09Å; F290-Y294 HydrophobicContact CD2-CE2 4.4Å; F290-Y294 HydrophobicContact CE1-CD2 4.34Å; F290-Y294 HydrophobicContact CE1-CE2 4.09Å; F290-Y294 HydrophobicContact CE2-CD2 4.27Å; F290-Y294 AromaticContact CE2-CE2 3.62Å; F290-Y294 HydrophobicContact CE2-CE2 3.62Å; F290-Y294 HydrophobicContact CZ-CD2 4.09Å; F290-Y294 AromaticContact CZ-CE2 3.44Å; F290-Y294 HydrophobicContact CZ-CE2 3.44Å; F290-Y294 VanDerWaalsContact CZ-CE2 3.44Å; F290-Y294 WeakPolarHBondContact O-CD2 3.45Å; F290-Y294 PolarHBondContact O-N 3.31Å; V291-Y294 PolarHBondContact O-N 2.79Å; V291-Y294 VanDerWaalsContact O-N 3.14Å; Y294-N296 PolarHBondContact O-N 2.93Å; Y294-K297 PolarHBondContact O-N 3.23Å; Y294-M298 WeakPolarHBondContact O-CG 3.37Å; Y294-M298 PolarHBondContact O-N 3.39Å; Y294-V380 HydrophobicContact CD1-CG1 4.07Å; Y294-V380 VanDerWaalsContact CE1-O 3.3Å; Y294-V380 WeakPolarHBondContact CE1-O 3.46Å; Y294-L381 HydrophobicContact CD1-CD2 4.2Å; Y294-L381 HydrophobicContact CE1-CD2 4.45Å
295	L	98.1	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-42.4	177.6	-66.1	178	0	0	0	112.1	V221 L224 V291 L292 K297 M298 A299 M304 V353 M363	V221-L295 HydrophobicContact CG2-CD1 4.22Å; L224-L295 HydrophobicContact CB-CD2 3.73Å; L224-L295 HydrophobicContact CD1-CD2 3.55Å; L224-L295 HydrophobicContact CG-CD2 4.25Å; V291-L295 HydrophobicContact CG1-CD1 4.14Å; V291-L295 HydrophobicContact CG1-CG 4.27Å; V291-L295 WeakPolarHBondContact O-CG 3.45Å; V291-L295 PolarHBondContact O-N 2.86Å; L292-L295 PolarHBondContact O-N 2.69Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.03Å; L295-M298 PolarHBondContact O-N 2.92Å; L295-A299 WeakPolarHBondContact O-CB 3.42Å; L295-A299 PolarHBondContact O-N 2.94Å; L295-M304 HydrophobicContact CB-CE 3.71Å; L295-M304 HydrophobicContact CD1-CE 4.19Å; L295-V353 HydrophobicContact CD1-CG1 4.24Å; L295-M363 HydrophobicContact CB-CE 4.21Å
296	N	97.8	Very high	96.7	Very high	45 Å²	45	46 Å²	46	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-44.3	173.5	-86.3	-74	0	0	0	112.2	L292 Q293 Y294 A299 G300 N301 M304	L292-N296 WeakPolarHBondContact O-CB 3.28Å; L292-N296 PolarHBondContact O-N 2.75Å; L292-N296 PolarHBondContact O-ND2 2.88Å; Q293-N296 PolarHBondContact O-N 3.24Å; Y294-N296 PolarHBondContact O-N 2.93Å; N296-A299 CarbonylContact O-C 3.53Å; N296-A299 PolarHBondContact O-N 3.39Å; N296-G300 PolarHBondContact O-N 2.84Å; N296-G300 VanDerWaalsContact O-N 3.11Å; N296-N301 PolarHBondContact O-N 2.91Å; N296-M304 WeakPolarHBondContact OD1-CB 3.24Å; N296-M304 VanDerWaalsContact OD1-CG 3.3Å; N296-M304 WeakPolarHBondContact OD1-CG 3.27Å
297	K	98.3	Very high	96.8	Very high	79 Å²	79	42.3 Å²	42.3	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-42.7	176.4	-70.5	179.9	170.8	-154.9	0	112.2	Q293 Y294 L295 A299 G300 C373 E378 V380	Q293-K297 WeakPolarHBondContact O-CG 3.29Å; Q293-K297 PolarHBondContact O-N 3.21Å; Q293-K297 VanDerWaalsContact O-N 3.07Å; Y294-K297 PolarHBondContact O-N 3.23Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.03Å; K297-A299 PolarHBondContact O-N 3.41Å; K297-G300 PolarHBondContact O-N 3.45Å; K297-G300 VanDerWaalsContact O-N 3.1Å; K297-C373 PolarHBondContact O-SG 2.88Å; K297-E378 WeakPolarHBondContact CD-OE1 3.5Å; K297-E378 WeakPolarHBondContact CD-OE2 3.25Å; K297-E378 VanDerWaalsContact CE-OE1 3.27Å; K297-E378 WeakPolarHBondContact CE-OE1 3.36Å; K297-E378 WeakPolarHBondContact CG-OE2 3.37Å; K297-E378 IonicContact NZ-OE1 3.86Å; K297-E378 PolarHBondContact NZ-OE1 3.15Å; K297-E378 IonicContact NZ-OE2 2.66Å; K297-V380 HydrophobicContact CB-CB 4.38Å; K297-V380 HydrophobicContact CB-CG1 3.59Å; K297-V380 HydrophobicContact CB-CG2 3.83Å; K297-V380 HydrophobicContact CD-CG1 4.49Å
298	M	98.4	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-30.1	174.3	-68.4	-174.9	71.3	0	0	112.8	L224 Y294 L295 G300 V362 M363 T366 L367 V380 L381	L224-M298 HydrophobicContact CD2-CE 3.72Å; L224-M298 HydrophobicContact CD2-SD 4.37Å; Y294-M298 WeakPolarHBondContact O-CG 3.37Å; Y294-M298 PolarHBondContact O-N 3.39Å; L295-M298 PolarHBondContact O-N 2.92Å; M298-G300 VanDerWaalsContact C-N 3.34Å; M298-V362 CarbonylContact O-C 3.42Å; M298-M363 HydrophobicContact CB-CB 4.48Å; M298-M363 HydrophobicContact CB-CG 4.13Å; M298-M363 WeakPolarHBondContact O-CA 3.29Å; M298-M363 PolarHBondContact O-N 3.46Å; M298-T366 HydrophobicContact CB-CG2 4.39Å; M298-T366 HydrophobicContact CE-CG2 4.34Å; M298-T366 HydrophobicContact CG-CG2 4.16Å; M298-T366 PolarHBondContact O-OG1 3.26Å; M298-L367 HydrophobicContact CE-CD2 3.87Å; M298-L367 HydrophobicContact CE-CG 3.97Å; M298-V380 HydrophobicContact CG-CB 4.35Å; M298-V380 HydrophobicContact CG-CG1 3.71Å; M298-L381 HydrophobicContact CE-CD1 3.56Å; M298-L381 HydrophobicContact CG-CD1 4.49Å; M298-L381 HydrophobicContact SD-CD1 3.79Å; M298-L381 HydrophobicContact SD-CG 4.33Å
299	A	98.1	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.1	175.3	0	0	0	0	0	113.7	L295 N296 K297 N301 E302 M304 M363	L295-A299 WeakPolarHBondContact O-CB 3.42Å; L295-A299 PolarHBondContact O-N 2.94Å; N296-A299 CarbonylContact O-C 3.53Å; N296-A299 PolarHBondContact O-N 3.39Å; K297-A299 PolarHBondContact O-N 3.41Å; A299-N301 VanDerWaalsContact C-N 3.32Å; A299-N301 PolarHBondContact O-N 2.95Å; A299-E302 WeakPolarHBondContact O-CB 3.47Å; A299-E302 WeakPolarHBondContact O-CG 3.45Å; A299-E302 PolarHBondContact O-N 3.09Å; A299-M304 HydrophobicContact CB-CG 4.49Å; A299-M304 HydrophobicContact CB-SD 4.29Å; A299-M363 HydrophobicContact CB-CE 3.87Å; A299-M363 HydrophobicContact CB-CG 4.02Å
300	G	97.1	Very high	96.7	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	38.2	-176.7	0	0	0	0	0	113.9	N296 K297 M298 E302	N296-G300 PolarHBondContact O-N 2.84Å; N296-G300 VanDerWaalsContact O-N 3.11Å; K297-G300 PolarHBondContact O-N 3.45Å; K297-G300 VanDerWaalsContact O-N 3.1Å; M298-G300 VanDerWaalsContact C-N 3.34Å; G300-E302 PolarHBondContact O-N 3.12Å
301	N	96.1	Very high	96.7	Very high	116 Å²	116	43.1 Å²	43.1	62%	0.62	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	21	-179	-58.7	92.3	0	0	0	115.5	N296 A299	N296-N301 PolarHBondContact O-N 2.91Å; A299-N301 VanDerWaalsContact C-N 3.32Å; A299-N301 PolarHBondContact O-N 2.95Å
302	E	95.9	Very high	96.6	Very high	43 Å²	43	46.7 Å²	46.7	20%	0.201	24%	0.237	C	C	.	.			trans	-74.7	-175.8	171	-65.8	-157.6	160.5	0	0	113.7	R205 A299 G300 M304 E358 S359 I375	R205-E302 IonicContact CZ-OE1 3.46Å; R205-E302 IonicContact CZ-OE2 2.72Å; R205-E302 IonicContact NH1-OE1 3.69Å; R205-E302 PolarHBondContact NH1-OE1 3.15Å; R205-E302 IonicContact NH1-OE2 2.91Å; R205-E302 IonicContact NH2-OE1 3.43Å; R205-E302 PolarHBondContact NH2-OE1 3.25Å; R205-E302 IonicContact NH2-OE2 3.73Å; R205-E302 PolarHBondContact NH2-OE2 3.32Å; A299-E302 WeakPolarHBondContact O-CB 3.47Å; A299-E302 WeakPolarHBondContact O-CG 3.45Å; A299-E302 PolarHBondContact O-N 3.09Å; G300-E302 PolarHBondContact O-N 3.12Å; E302-M304 PolarHBondContact O-N 3.34Å; E302-M304 VanDerWaalsContact O-N 3.11Å; E302-E358 VanDerWaalsContact OE2-C 3.3Å; E302-S359 VanDerWaalsContact OE2-CA 3.31Å; E302-S359 WeakPolarHBondContact OE2-CA 3.43Å; E302-S359 PolarHBondContact OE2-N 3.21Å; E302-I375 HydrophobicContact CG-CD1 4.38Å
303	Y	97.4	Very high	96.4	Very high	104 Å²	104	45.1 Å²	45.1	41%	0.408	23%	0.228	S	C	.	.			trans	-52.7	118.3	-178.1	178	-89.5	0	0	0	112.3	P214 E354 T356 S359	P214-Y303 HydrophobicContact CB-CE1 3.61Å; P214-Y303 WeakPolarHBondContact CB-OH 3.31Å; Y303-E354 HydrophobicContact CE1-CB 4.26Å; Y303-T356 HydrophobicContact CD1-CG2 3.81Å; Y303-T356 HydrophobicContact CE1-CG2 4.5Å; Y303-T356 HydrophobicContact CG-CG2 4.15Å; Y303-S359 WeakPolarHBondContact O-CB 3.29Å; Y303-S359 PolarHBondContact O-OG 3.42Å
304	M	96.4	Very high	96.2	Very high	32 Å²	32	40.3 Å²	40.3	16%	0.158	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.4	171	-72.9	-60.6	-57.5	0	0	108.2	L292 L295 N296 A299 E302 V353 V355 M363	L292-M304 HydrophobicContact CD1-CE 3.8Å; L295-M304 HydrophobicContact CB-CE 3.71Å; L295-M304 HydrophobicContact CD1-CE 4.19Å; N296-M304 WeakPolarHBondContact OD1-CB 3.24Å; N296-M304 VanDerWaalsContact OD1-CG 3.3Å; N296-M304 WeakPolarHBondContact OD1-CG 3.27Å; A299-M304 HydrophobicContact CB-CG 4.49Å; A299-M304 HydrophobicContact CB-SD 4.29Å; E302-M304 PolarHBondContact O-N 3.34Å; E302-M304 VanDerWaalsContact O-N 3.11Å; M304-V353 HydrophobicContact CE-CG1 3.32Å; M304-V355 HydrophobicContact CE-CG1 4.26Å; M304-V355 HydrophobicContact SD-CG1 3.74Å; M304-M363 HydrophobicContact CE-CE 3.81Å; M304-M363 HydrophobicContact SD-CE 3.18Å; M304-M363 WeakPolarHBondContact SD-CE 3.35Å
305	G	96.3	Very high	95.9	Very high	15 Å²	15	40.4 Å²	40.4	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-177.5	179.8	0	0	0	0	0	113.1	E354	G305-E354 PolarHBondContact N-O 2.84Å; G305-E354 PolarHBondContact O-N 3.14Å
306	F	97.1	Very high	95.6	Very high	68 Å²	68	47.3 Å²	47.3	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	120.6	175.3	176.5	-100.6	0	0	0	111.4	F288 N308 F311 Q349 V353 E354	F288-F306 HydrophobicContact CE2-CD2 4.13Å; F288-F306 HydrophobicContact CE2-CE2 4.16Å; F288-F306 AromaticContact CZ-CD2 3.63Å; F288-F306 HydrophobicContact CZ-CD2 3.63Å; F288-F306 HydrophobicContact CZ-CE2 4.01Å; F288-F306 HydrophobicContact CZ-CG 4.21Å; F306-N308 HydrophobicContact CD1-CB 4.35Å; F306-N308 HydrophobicContact CE1-CB 3.92Å; F306-N308 PolarHBondContact O-N 3.45Å; F306-F311 HydrophobicContact CE2-CB 4.46Å; F306-F311 HydrophobicContact CZ-CB 3.81Å; F306-F311 HydrophobicContact CZ-CD1 4.22Å; F306-F311 AromaticContact CZ-CG 3.96Å; F306-F311 HydrophobicContact CZ-CG 3.96Å; F306-Q349 HydrophobicContact CE2-CB 4.11Å; F306-Q349 HydrophobicContact CE2-CG 4.43Å; F306-Q349 WeakPolarHBondContact CE2-O 3.42Å; F306-Q349 HydrophobicContact CZ-CG 4.35Å; F306-V353 HydrophobicContact CD2-CG2 4.49Å; F306-E354 PolarHBondContact N-OE2 3.35Å
307	S	96.6	Very high	95.3	Very high	17 Å²	17	48.2 Å²	48.2	12%	0.119	25%	0.247	C	C	.	.			trans	-90.9	83.6	-176	-150	0	0	0	0	111.2	C216 A309 T310 F311 S352 E354	C216-S307 WeakPolarHBondContact SG-CB 3.4Å; S307-A309 PolarHBondContact O-N 3.41Å; S307-A309 VanDerWaalsContact O-N 3.16Å; S307-T310 WeakPolarHBondContact CB-OG1 3.34Å; S307-T310 PolarHBondContact O-N 3.06Å; S307-T310 PolarHBondContact OG-OG1 3.45Å; S307-F311 PolarHBondContact O-N 2.77Å; S307-S352 PolarHBondContact N-O 3.49Å; S307-E354 VanDerWaalsContact CB-CD 3.41Å; S307-E354 WeakPolarHBondContact CB-OE1 3.35Å; S307-E354 PolarHBondContact N-OE2 3.35Å; S307-E354 PolarHBondContact OG-OE1 3.05Å
308	N	95.8	Very high	94.8	Very high	90 Å²	90	44.7 Å²	44.7	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-33.2	175.2	-178.1	54.5	0	0	0	111.8	F306 F311 Q312	F306-N308 HydrophobicContact CD1-CB 4.35Å; F306-N308 HydrophobicContact CE1-CB 3.92Å; F306-N308 PolarHBondContact O-N 3.45Å; N308-F311 PolarHBondContact O-N 3.15Å; N308-Q312 WeakPolarHBondContact O-CG 3.48Å; N308-Q312 PolarHBondContact O-N 2.85Å; N308-Q312 PolarHBondContact OD1-NE2 3.22Å
309	A	94.3	Very high	94.5	Very high	55 Å²	55	50.5 Å²	50.5	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-42.6	174.9	0	0	0	0	0	112.4	Q185 S307 S313	Q185-A309 HydrophobicContact CG-CB 4.23Å; Q185-A309 PolarHBondContact NE2-O 3.29Å; S307-A309 PolarHBondContact O-N 3.41Å; S307-A309 VanDerWaalsContact O-N 3.16Å; A309-S313 WeakPolarHBondContact O-CB 3.38Å; A309-S313 PolarHBondContact O-N 3.4Å
310	T	93.6	Very high	94.1	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-42.1	176.3	-54.3	0	0	0	0	110.4	S307 Q312 S313 E314	S307-T310 WeakPolarHBondContact CB-OG1 3.34Å; S307-T310 PolarHBondContact O-N 3.06Å; S307-T310 PolarHBondContact OG-OG1 3.45Å; T310-Q312 PolarHBondContact O-N 3.22Å; T310-S313 PolarHBondContact O-N 2.87Å; T310-S313 VanDerWaalsContact O-N 3.12Å; T310-E314 HydrophobicContact CG2-CG 4.1Å; T310-E314 WeakPolarHBondContact O-CG 3.27Å; T310-E314 PolarHBondContact O-N 3.04Å
311	F	95.6	Very high	94	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-55.2	-50.4	177.6	167.9	-115.4	0	0	0	112.9	F306 S307 N308 S313 E314 K315 F348 Q349 S352	F306-F311 HydrophobicContact CE2-CB 4.46Å; F306-F311 HydrophobicContact CZ-CB 3.81Å; F306-F311 HydrophobicContact CZ-CD1 4.22Å; F306-F311 AromaticContact CZ-CG 3.96Å; F306-F311 HydrophobicContact CZ-CG 3.96Å; S307-F311 PolarHBondContact O-N 2.77Å; N308-F311 PolarHBondContact O-N 3.15Å; F311-S313 VanDerWaalsContact C-N 3.34Å; F311-S313 PolarHBondContact O-N 2.97Å; F311-E314 PolarHBondContact O-N 3.14Å; F311-K315 HydrophobicContact CE2-CD 4.39Å; F311-K315 HydrophobicContact CZ-CD 4.08Å; F311-K315 WeakPolarHBondContact O-CB 3.19Å; F311-K315 PolarHBondContact O-N 3.43Å; F311-F348 HydrophobicContact CD2-CB 3.75Å; F311-F348 HydrophobicContact CE2-CB 3.71Å; F311-Q349 HydrophobicContact CD2-CB 4.48Å; F311-Q349 HydrophobicContact CD2-CG 3.87Å; F311-Q349 HydrophobicContact CE2-CB 4.43Å; F311-Q349 HydrophobicContact CE2-CG 3.5Å; F311-Q349 HydrophobicContact CZ-CG 3.88Å; F311-S352 WeakPolarHBondContact CA-OG 3.25Å; F311-S352 PolarHBondContact N-OG 2.91Å; F311-S352 VanDerWaalsContact N-OG 3.11Å
312	Q	94.5	Very high	93.9	Very high	76 Å²	76	52 Å²	52	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-42.3	177.2	-60.1	-56.4	-26.5	0	0	111.2	N308 T310 K315 E316	N308-Q312 WeakPolarHBondContact O-CG 3.48Å; N308-Q312 PolarHBondContact O-N 2.85Å; N308-Q312 PolarHBondContact OD1-NE2 3.22Å; T310-Q312 PolarHBondContact O-N 3.22Å; Q312-K315 PolarHBondContact O-N 3.11Å; Q312-E316 WeakPolarHBondContact O-CB 3.33Å; Q312-E316 VanDerWaalsContact O-CG 3.3Å; Q312-E316 WeakPolarHBondContact O-CG 3.49Å; Q312-E316 PolarHBondContact O-N 2.99Å
313	S	93	Very high	93.9	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-41.6	-179.9	-174.2	0	0	0	0	113.4	P184 A309 T310 F311 K315 E316 T317	P184-S313 WeakPolarHBondContact CD-OG 3.17Å; A309-S313 WeakPolarHBondContact O-CB 3.38Å; A309-S313 PolarHBondContact O-N 3.4Å; T310-S313 PolarHBondContact O-N 2.87Å; T310-S313 VanDerWaalsContact O-N 3.12Å; F311-S313 VanDerWaalsContact C-N 3.34Å; F311-S313 PolarHBondContact O-N 2.97Å; S313-K315 VanDerWaalsContact C-N 3.31Å; S313-E316 PolarHBondContact O-N 3.39Å; S313-T317 WeakPolarHBondContact O-CB 3.31Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 3.11Å
314	E	91.4	Very high	93.8	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-36.3	173.1	-70	-158.4	133	0	0	112.2	I183 Q218 T310 F311 G318 F348 C351 S352	I183-E314 HydrophobicContact CD1-CG 3.96Å; I183-E314 HydrophobicContact CG1-CG 4.41Å; I183-E314 HydrophobicContact CG2-CG 4.46Å; Q218-E314 VanDerWaalsContact CD-OE1 3.3Å; Q218-E314 PolarHBondContact NE2-OE1 3.11Å; Q218-E314 PolarHBondContact OE1-OE1 2.72Å; Q218-E314 VanDerWaalsContact OE1-OE1 3.06Å; T310-E314 HydrophobicContact CG2-CG 4.1Å; T310-E314 WeakPolarHBondContact O-CG 3.27Å; T310-E314 PolarHBondContact O-N 3.04Å; F311-E314 PolarHBondContact O-N 3.14Å; E314-G318 WeakPolarHBondContact O-CA 3.3Å; E314-G318 PolarHBondContact O-N 2.88Å; E314-F348 HydrophobicContact CB-CD1 3.79Å; E314-F348 HydrophobicContact CB-CE1 4.18Å; E314-F348 VanDerWaalsContact O-CE1 3.23Å; E314-F348 WeakPolarHBondContact O-CE1 3.46Å; E314-C351 VanDerWaalsContact OE2-CB 3.3Å; E314-C351 WeakPolarHBondContact OE2-CB 3.45Å; E314-S352 PolarHBondContact OE2-OG 3.32Å
315	K	92.9	Very high	93.7	Very high	59 Å²	59	46 Å²	46	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-71.4	-34.9	178.9	-174.1	173.6	173.1	160.5	0	112.3	F311 Q312 S313 Y322 D345 F348	F311-K315 HydrophobicContact CE2-CD 4.39Å; F311-K315 HydrophobicContact CZ-CD 4.08Å; F311-K315 WeakPolarHBondContact O-CB 3.19Å; F311-K315 PolarHBondContact O-N 3.43Å; Q312-K315 PolarHBondContact O-N 3.11Å; S313-K315 VanDerWaalsContact C-N 3.31Å; K315-Y322 WeakPolarHBondContact CG-OH 3.22Å; K315-Y322 VanDerWaalsContact O-CE2 3.24Å; K315-Y322 WeakPolarHBondContact O-CE2 3.46Å; K315-Y322 PolarHBondContact O-OH 3.13Å; K315-D345 WeakPolarHBondContact CE-OD1 3.2Å; K315-D345 IonicContact NZ-OD1 2.76Å; K315-D345 PolarHBondContact NZ-OD1 2.75Å; K315-D345 IonicContact NZ-OD2 2.74Å; K315-F348 HydrophobicContact CB-CD2 4.46Å; K315-F348 HydrophobicContact CG-CD2 4.46Å
316	E	91.8	Very high	93.7	Very high	145 Å²	145	51.7 Å²	51.7	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-75.5	-43.2	175.2	-74.2	169.9	-177	0	0	112.4	Q312 S313 G318	Q312-E316 WeakPolarHBondContact O-CB 3.33Å; Q312-E316 VanDerWaalsContact O-CG 3.3Å; Q312-E316 WeakPolarHBondContact O-CG 3.49Å; Q312-E316 PolarHBondContact O-N 2.99Å; S313-E316 PolarHBondContact O-N 3.39Å; E316-G318 VanDerWaalsContact C-N 3.28Å; E316-G318 PolarHBondContact O-N 3.25Å
317	T	90.1	Very high	93.6	Very high	64 Å²	64	52.4 Å²	52.4	39%	0.393	26%	0.264	S	S	.	.	S	Bend	trans	-89.2	7.9	179.8	61.4	0	0	0	0	113.4	S313 D319	S313-T317 WeakPolarHBondContact O-CB 3.31Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 3.11Å; T317-D319 VanDerWaalsContact C-N 3.28Å; T317-D319 PolarHBondContact O-N 3.02Å
318	G	88.4	Confident	93.5	Very high	5 Å²	5	51.6 Å²	51.6	5%	0.052	26%	0.259	C	S	.	.			trans	-80.6	13.7	-167.4	0	0	0	0	0	116.6	E314 E316 R320 N321 Y322	E314-G318 WeakPolarHBondContact O-CA 3.3Å; E314-G318 PolarHBondContact O-N 2.88Å; E316-G318 VanDerWaalsContact C-N 3.28Å; E316-G318 PolarHBondContact O-N 3.25Å; G318-R320 PolarHBondContact O-N 3.07Å; G318-N321 WeakPolarHBondContact O-CA 3.31Å; G318-N321 WeakPolarHBondContact O-CB 3.47Å; G318-N321 PolarHBondContact O-N 2.71Å; G318-Y322 VanDerWaalsContact O-CD2 3.32Å; G318-Y322 WeakPolarHBondContact O-CD2 3.41Å; G318-Y322 PolarHBondContact O-N 2.95Å; G318-Y322 VanDerWaalsContact O-N 3.13Å
319	D	91.8	Very high	93.5	Very high	122 Å²	122	53 Å²	53	65%	0.652	26%	0.261	S	S	*	.	H	α-helix	trans	-40.6	-46.3	-173.1	-71	-28.5	0	0	0	114	T317 N321 Y322 A323	T317-D319 VanDerWaalsContact C-N 3.28Å; T317-D319 PolarHBondContact O-N 3.02Å; D319-N321 PolarHBondContact O-N 3.08Å; D319-Y322 PolarHBondContact O-N 3.15Å; D319-A323 PolarHBondContact O-N 3.38Å
320	R	90.6	Very high	93.5	Very high	83 Å²	83	56.9 Å²	56.9	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-37.8	180	-176.5	175.9	170.8	-139.3	-14.6	113	Y251 N252 G318 A323 I324	Y251-R320 PolarHBondContact O-NH2 3.46Å; N252-R320 VanDerWaalsContact CA-NH2 3.32Å; N252-R320 PolarHBondContact O-NH2 2.79Å; N252-R320 PolarHBondContact OD1-NH1 3.4Å; G318-R320 PolarHBondContact O-N 3.07Å; R320-A323 PolarHBondContact O-N 3.29Å; R320-I324 HydrophobicContact CG-CD1 4.35Å; R320-I324 VanDerWaalsContact O-CG1 3.26Å; R320-I324 WeakPolarHBondContact O-CG1 3.47Å; R320-I324 PolarHBondContact O-N 3.12Å
321	N	93.9	Very high	93.5	Very high	22 Å²	22	61.2 Å²	61.2	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-72.5	-34.2	176.9	-63.5	-35.4	0	0	0	110.9	N268 I272 G318 D319 I324 G325 L344 F348	N268-N321 PolarHBondContact ND2-OD1 3.16Å; I272-N321 HydrophobicContact CD1-CB 4.29Å; G318-N321 WeakPolarHBondContact O-CA 3.31Å; G318-N321 WeakPolarHBondContact O-CB 3.47Å; G318-N321 PolarHBondContact O-N 2.71Å; D319-N321 PolarHBondContact O-N 3.08Å; N321-I324 WeakPolarHBondContact O-CB 3.36Å; N321-I324 PolarHBondContact O-N 2.8Å; N321-G325 PolarHBondContact O-N 3.42Å; N321-L344 HydrophobicContact CB-CD2 4.39Å; N321-F348 HydrophobicContact CB-CE1 4.24Å; N321-F348 HydrophobicContact CB-CZ 3.85Å; N321-F348 WeakPolarHBondContact ND2-CE1 3.48Å
322	Y	95.5	Very high	93.4	Very high	47 Å²	47	68.9 Å²	68.9	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-45.9	169.2	-64.5	-69.1	0	0	0	111.9	K315 G318 D319 I324 G325 Y326 M341 L344 F348	K315-Y322 WeakPolarHBondContact CG-OH 3.22Å; K315-Y322 VanDerWaalsContact O-CE2 3.24Å; K315-Y322 WeakPolarHBondContact O-CE2 3.46Å; K315-Y322 PolarHBondContact O-OH 3.13Å; G318-Y322 VanDerWaalsContact O-CD2 3.32Å; G318-Y322 WeakPolarHBondContact O-CD2 3.41Å; G318-Y322 PolarHBondContact O-N 2.95Å; G318-Y322 VanDerWaalsContact O-N 3.13Å; D319-Y322 PolarHBondContact O-N 3.15Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 2.95Å; Y322-G325 WeakPolarHBondContact O-CA 3.19Å; Y322-G325 PolarHBondContact O-N 3.45Å; Y322-Y326 VanDerWaalsContact O-CD2 3.23Å; Y322-Y326 WeakPolarHBondContact O-CD2 3.49Å; Y322-Y326 PolarHBondContact O-N 2.81Å; Y322-M341 HydrophobicContact CD1-CE 4.35Å; Y322-M341 HydrophobicContact CE1-CE 3.93Å; Y322-L344 HydrophobicContact CD1-CD1 3.53Å; Y322-L344 HydrophobicContact CE1-CD1 4.07Å; Y322-L344 HydrophobicContact CG-CD1 4.37Å; Y322-F348 HydrophobicContact CE1-CE2 4.3Å; Y322-F348 HydrophobicContact CE2-CZ 4.46Å
323	A	95.4	Very high	93.5	Very high	47 Å²	47	65.4 Å²	65.4	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-40.9	175.8	0	0	0	0	0	112.1	D319 R320 Y327	D319-A323 PolarHBondContact O-N 3.38Å; R320-A323 PolarHBondContact O-N 3.29Å; A323-Y327 WeakPolarHBondContact O-CB 3.46Å; A323-Y327 PolarHBondContact O-N 2.84Å
324	I	94.4	Very high	93.5	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-50.2	169.9	-71.1	165.3	0	0	0	110.6	L254 N268 A269 I272 R320 N321 Y322 Y326 Y327 L328	L254-I324 HydrophobicContact CD2-CD1 4.09Å; L254-I324 HydrophobicContact CD2-CG1 3.29Å; N268-I324 HydrophobicContact CB-CD1 3.97Å; A269-I324 HydrophobicContact CB-CG2 3.72Å; I272-I324 HydrophobicContact CD1-CB 4.33Å; I272-I324 HydrophobicContact CD1-CG2 3.77Å; R320-I324 HydrophobicContact CG-CD1 4.35Å; R320-I324 VanDerWaalsContact O-CG1 3.26Å; R320-I324 WeakPolarHBondContact O-CG1 3.47Å; R320-I324 PolarHBondContact O-N 3.12Å; N321-I324 WeakPolarHBondContact O-CB 3.36Å; N321-I324 PolarHBondContact O-N 2.8Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 2.95Å; I324-Y326 PolarHBondContact O-N 3.21Å; I324-Y327 PolarHBondContact O-N 3.09Å; I324-L328 HydrophobicContact CG2-CD1 3.57Å; I324-L328 HydrophobicContact CG2-CG 4.14Å; I324-L328 WeakPolarHBondContact O-CB 3.47Å; I324-L328 VanDerWaalsContact O-CG 3.23Å; I324-L328 WeakPolarHBondContact O-CG 3.37Å; I324-L328 PolarHBondContact O-N 2.59Å
325	G	95.4	Very high	93.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-46.7	-179.8	0	0	0	0	0	113.4	N321 Y322 L328 K329 M340	N321-G325 PolarHBondContact O-N 3.42Å; Y322-G325 WeakPolarHBondContact O-CA 3.19Å; Y322-G325 PolarHBondContact O-N 3.45Å; G325-L328 PolarHBondContact O-N 2.98Å; G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 3.31Å; G325-M340 WeakPolarHBondContact O-CG 3.29Å
326	Y	95.7	Very high	93.5	Very high	135 Å²	135	73.6 Å²	73.6	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-41.6	175.8	-77.3	-69.8	0	0	0	112.7	Y322 I324 K329 E330 M340	Y322-Y326 VanDerWaalsContact O-CD2 3.23Å; Y322-Y326 WeakPolarHBondContact O-CD2 3.49Å; Y322-Y326 PolarHBondContact O-N 2.81Å; I324-Y326 PolarHBondContact O-N 3.21Å; Y326-K329 WeakPolarHBondContact O-CB 3.23Å; Y326-K329 PolarHBondContact O-N 3.46Å; Y326-E330 PolarHBondContact O-N 2.94Å; Y326-M340 HydrophobicContact CD1-CE 3.7Å; Y326-M340 HydrophobicContact CD2-CE 4.16Å; Y326-M340 HydrophobicContact CE1-CE 3.62Å; Y326-M340 HydrophobicContact CE2-CE 4.09Å; Y326-M340 HydrophobicContact CG-CE 3.96Å
327	Y	94.4	Very high	93.2	Very high	82 Å²	82	71 Å²	71	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.1	-176	-123.2	0	0	0	112.4	L256 A323 I324 K329 E330 K331	L256-Y327 HydrophobicContact CD1-CD1 4.24Å; L256-Y327 HydrophobicContact CD1-CE1 3.54Å; L256-Y327 HydrophobicContact CG-CE1 3.81Å; A323-Y327 WeakPolarHBondContact O-CB 3.46Å; A323-Y327 PolarHBondContact O-N 2.84Å; I324-Y327 PolarHBondContact O-N 3.09Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.14Å; Y327-E330 PolarHBondContact O-N 3.35Å; Y327-K331 HydrophobicContact CD2-CG 4.46Å; Y327-K331 HydrophobicContact CE2-CG 4.14Å; Y327-K331 WeakPolarHBondContact O-CG 3.25Å; Y327-K331 PolarHBondContact O-N 3.04Å
328	L	95.3	Very high	93.2	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-35.2	173.2	-68.1	170.3	0	0	0	112.5	L256 P262 A269 I272 V273 I324 G325 K331 K332 C333 F334	L256-L328 HydrophobicContact CD2-CD2 3.79Å; P262-L328 HydrophobicContact CG-CD2 3.74Å; A269-L328 HydrophobicContact CB-CD1 4.38Å; I272-L328 HydrophobicContact CB-CD1 4.49Å; I272-L328 HydrophobicContact CG2-CD1 4.24Å; V273-L328 HydrophobicContact CG2-CD1 3.86Å; V273-L328 HydrophobicContact CG2-CD2 4.12Å; I324-L328 HydrophobicContact CG2-CD1 3.57Å; I324-L328 HydrophobicContact CG2-CG 4.14Å; I324-L328 WeakPolarHBondContact O-CB 3.47Å; I324-L328 VanDerWaalsContact O-CG 3.23Å; I324-L328 WeakPolarHBondContact O-CG 3.37Å; I324-L328 PolarHBondContact O-N 2.59Å; G325-L328 PolarHBondContact O-N 2.98Å; L328-K331 PolarHBondContact O-N 3.2Å; L328-K332 PolarHBondContact O-N 3.05Å; L328-C333 HydrophobicContact CB-CB 4.19Å; L328-C333 HydrophobicContact CD2-CB 3.81Å; L328-C333 PolarHBondContact O-N 3.37Å; L328-F334 HydrophobicContact CB-CD2 4.34Å; L328-F334 HydrophobicContact CB-CE2 3.53Å; L328-F334 HydrophobicContact CB-CZ 3.71Å; L328-F334 HydrophobicContact CD1-CZ 3.98Å
329	K	94.8	Very high	93.4	Very high	119 Å²	119	73 Å²	73	52%	0.517	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-44.1	176.5	-173.4	178.5	-178.7	176.2	0	111.5	G325 Y326 Y327 K332 F334 M340	G325-K329 WeakPolarHBondContact O-CB 3.36Å; G325-K329 PolarHBondContact O-N 3.31Å; Y326-K329 WeakPolarHBondContact O-CB 3.23Å; Y326-K329 PolarHBondContact O-N 3.46Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.14Å; K329-K332 PolarHBondContact O-N 3.25Å; K329-F334 HydrophobicContact CB-CD2 4.35Å; K329-F334 HydrophobicContact CB-CE2 4.17Å; K329-M340 HydrophobicContact CB-CG 4.35Å; K329-M340 HydrophobicContact CD-CB 4.18Å; K329-M340 HydrophobicContact CD-CE 4.3Å
330	E	94.4	Very high	93.5	Very high	136 Å²	136	67.3 Å²	67.3	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-59.3	-45.9	174	-170.4	-160.1	163	0	0	111.4	Y326 Y327 K332	Y326-E330 PolarHBondContact O-N 2.94Å; Y327-E330 PolarHBondContact O-N 3.35Å; E330-K332 PolarHBondContact O-N 3.24Å
331	K	93.6	Very high	93.7	Very high	100 Å²	100	66.3 Å²	66.3	44%	0.435	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.2	179.2	-61.8	-62.6	179	-169.7	0	114.6	L256 Y327 L328 C333	L256-K331 HydrophobicContact CD1-CB 4.16Å; L256-K331 HydrophobicContact CD1-CG 3.82Å; Y327-K331 HydrophobicContact CD2-CG 4.46Å; Y327-K331 HydrophobicContact CE2-CG 4.14Å; Y327-K331 WeakPolarHBondContact O-CG 3.25Å; Y327-K331 PolarHBondContact O-N 3.04Å; L328-K331 PolarHBondContact O-N 3.2Å; K331-C333 VanDerWaalsContact C-N 3.28Å; K331-C333 PolarHBondContact O-N 3.15Å
332	K	94.8	Very high	93.6	Very high	179 Å²	179	66.3 Å²	66.3	78%	0.778	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.4	179.1	-54.8	173.6	-177.9	171.1	0	113.5	L328 K329 E330 F334	L328-K332 PolarHBondContact O-N 3.05Å; K329-K332 PolarHBondContact O-N 3.25Å; E330-K332 PolarHBondContact O-N 3.24Å; K332-F334 PolarHBondContact O-N 3.04Å
333	C	94.9	Very high	93.6	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.02	33%	0.326	C	S	.	.			trans	-73.5	-7.7	178.9	-49.7	0	0	0	0	113.7	G260 V273 L328 K331	G260-C333 PolarHBondContact O-SG 3.01Å; V273-C333 HydrophobicContact CG2-CB 4.21Å; L328-C333 HydrophobicContact CB-CB 4.19Å; L328-C333 HydrophobicContact CD2-CB 3.81Å; L328-C333 PolarHBondContact O-N 3.37Å; K331-C333 VanDerWaalsContact C-N 3.28Å; K331-C333 PolarHBondContact O-N 3.15Å
334	F	94.9	Very high	93.6	Very high	23 Å²	23	62 Å²	62	10%	0.101	31%	0.308	C	S	.	.	S	Bend	trans	-94	149.8	177.4	-61.5	-67.4	0	0	0	111.6	I272 V273 L328 K329 K332 M340 A343	I272-F334 HydrophobicContact CG2-CE1 4.07Å; I272-F334 HydrophobicContact CG2-CZ 4.08Å; V273-F334 HydrophobicContact CG2-CE1 4.21Å; L328-F334 HydrophobicContact CB-CD2 4.34Å; L328-F334 HydrophobicContact CB-CE2 3.53Å; L328-F334 HydrophobicContact CB-CZ 3.71Å; L328-F334 HydrophobicContact CD1-CZ 3.98Å; K329-F334 HydrophobicContact CB-CD2 4.35Å; K329-F334 HydrophobicContact CB-CE2 4.17Å; K332-F334 PolarHBondContact O-N 3.04Å; F334-M340 HydrophobicContact CD2-CB 4.31Å; F334-M340 HydrophobicContact CD2-CG 4.37Å; F334-M340 HydrophobicContact CE2-CB 3.9Å; F334-M340 HydrophobicContact CE2-CG 3.49Å; F334-M340 VanDerWaalsContact CE2-CG 3.49Å; F334-M340 HydrophobicContact CZ-CB 4.33Å; F334-M340 HydrophobicContact CZ-CG 3.74Å; F334-A343 HydrophobicContact CE1-CB 4.36Å
335	P	92.5	Very high	93.6	Very high	10 Å²	10	62.7 Å²	62.7	7%	0.065	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.3	151.7	171.6	-19.6	30.4	0	0	0	112.4	F241 S276 L277 M280 G337 V338	F241-P335 HydrophobicContact CD1-CG 4.4Å; F241-P335 HydrophobicContact CE1-CB 4.23Å; F241-P335 HydrophobicContact CE1-CG 3.93Å; F241-P335 HydrophobicContact CE2-CG 4.47Å; F241-P335 HydrophobicContact CZ-CB 4.18Å; F241-P335 HydrophobicContact CZ-CG 3.96Å; S276-P335 WeakPolarHBondContact OG-CD 3.06Å; L277-P335 HydrophobicContact CD2-CG 3.43Å; L277-P335 VanDerWaalsContact CD2-CG 3.43Å; M280-P335 HydrophobicContact SD-CB 3.9Å; M280-P335 HydrophobicContact SD-CG 3.99Å; P335-G337 PolarHBondContact O-N 2.89Å; P335-V338 HydrophobicContact CB-CG2 3.85Å; P335-V338 HydrophobicContact CG-CG2 4.18Å; P335-V338 PolarHBondContact O-N 2.87Å
336	K	91.1	Very high	93.6	Very high	216 Å²	216	62.9 Å²	62.9	94%	0.939	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	130.1	179.4	-68.4	-178.1	179.2	178.1	0	110.5	V338	K336-V338 VanDerWaalsContact C-N 3.35Å
337	G	86.3	Confident	93.7	Very high	90 Å²	90	57 Å²	57	93%	0.928	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-7.1	178.1	0	0	0	0	0	115.4	P335	P335-G337 PolarHBondContact O-N 2.89Å
338	V	90	Very high	93.8	Very high	36 Å²	36	53.1 Å²	53.1	22%	0.218	27%	0.274	C	S	.	.			trans	-81.5	132.3	179.1	-178.6	0	0	0	0	111.2	M280 P335 K336	M280-V338 HydrophobicContact CG-CG2 4.36Å; M280-V338 HydrophobicContact SD-CG2 4.38Å; P335-V338 HydrophobicContact CB-CG2 3.85Å; P335-V338 HydrophobicContact CG-CG2 4.18Å; P335-V338 PolarHBondContact O-N 2.87Å; K336-V338 VanDerWaalsContact C-N 3.35Å
339	D	92.1	Very high	93.8	Very high	75 Å²	75	54.9 Å²	54.9	40%	0.401	28%	0.282	S	S	.	.			trans	-77.3	126.4	172.1	172.9	36	0	0	0	111.7	M341 A342 A343	D339-M341 VanDerWaalsContact C-N 3.34Å; D339-M341 PolarHBondContact O-N 2.89Å; D339-M341 PolarHBondContact OD1-N 3.12Å; D339-M341 WeakPolarHBondContact OD2-CB 3.37Å; D339-A342 HydrophobicContact CB-CB 4Å; D339-A342 PolarHBondContact O-N 2.75Å; D339-A342 WeakPolarHBondContact OD2-CB 3.48Å; D339-A342 PolarHBondContact OD2-N 2.81Å; D339-A343 PolarHBondContact O-N 3.43Å; D339-A343 VanDerWaalsContact O-N 3.14Å
340	M	94.1	Very high	93.9	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-37	175.6	180	-83.4	-71	0	0	112.1	G325 Y326 K329 F334 A343 L344	G325-M340 WeakPolarHBondContact O-CG 3.29Å; Y326-M340 HydrophobicContact CD1-CE 3.7Å; Y326-M340 HydrophobicContact CD2-CE 4.16Å; Y326-M340 HydrophobicContact CE1-CE 3.62Å; Y326-M340 HydrophobicContact CE2-CE 4.09Å; Y326-M340 HydrophobicContact CG-CE 3.96Å; K329-M340 HydrophobicContact CB-CG 4.35Å; K329-M340 HydrophobicContact CD-CB 4.18Å; K329-M340 HydrophobicContact CD-CE 4.3Å; F334-M340 HydrophobicContact CD2-CB 4.31Å; F334-M340 HydrophobicContact CD2-CG 4.37Å; F334-M340 HydrophobicContact CE2-CB 3.9Å; F334-M340 HydrophobicContact CE2-CG 3.49Å; F334-M340 VanDerWaalsContact CE2-CG 3.49Å; F334-M340 HydrophobicContact CZ-CB 4.33Å; F334-M340 HydrophobicContact CZ-CG 3.74Å; M340-A343 PolarHBondContact O-N 3.32Å; M340-L344 PolarHBondContact O-N 2.91Å; M340-L344 HydrophobicContact SD-CD1 3.41Å; M340-L344 WeakPolarHBondContact SD-CD1 3.3Å; M340-L344 HydrophobicContact SD-CG 3.94Å
341	M	94.1	Very high	94	Very high	62 Å²	62	43 Å²	43	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-70	-38.5	179.9	-64.9	-62	-64.2	0	0	111.3	Y322 D339 L344 D345	Y322-M341 HydrophobicContact CD1-CE 4.35Å; Y322-M341 HydrophobicContact CE1-CE 3.93Å; D339-M341 VanDerWaalsContact C-N 3.34Å; D339-M341 PolarHBondContact O-N 2.89Å; D339-M341 PolarHBondContact OD1-N 3.12Å; D339-M341 WeakPolarHBondContact OD2-CB 3.37Å; M341-L344 PolarHBondContact O-N 3.09Å; M341-L344 HydrophobicContact SD-CD1 4.46Å; M341-D345 WeakPolarHBondContact O-CB 3.28Å; M341-D345 PolarHBondContact O-N 2.93Å
342	A	92.8	Very high	94.2	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-40	170.6	0	0	0	0	0	113.2	K284 D339 L346	K284-A342 HydrophobicContact CD-CB 4.43Å; K284-A342 HydrophobicContact CG-CB 4.37Å; D339-A342 HydrophobicContact CB-CB 4Å; D339-A342 PolarHBondContact O-N 2.75Å; D339-A342 WeakPolarHBondContact OD2-CB 3.48Å; D339-A342 PolarHBondContact OD2-N 2.81Å; A342-L346 PolarHBondContact O-N 2.95Å; A342-L346 VanDerWaalsContact O-N 3.1Å
343	A	94.4	Very high	94.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-38.3	175.8	0	0	0	0	0	112.6	F334 D339 M340 Y347	F334-A343 HydrophobicContact CE1-CB 4.36Å; D339-A343 PolarHBondContact O-N 3.43Å; D339-A343 VanDerWaalsContact O-N 3.14Å; M340-A343 PolarHBondContact O-N 3.32Å; A343-Y347 WeakPolarHBondContact O-CB 3.4Å; A343-Y347 PolarHBondContact O-N 2.7Å
344	L	95.1	Very high	94.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-45.6	173.4	-76.8	-179.2	0	0	0	112.5	I272 N321 Y322 M340 M341 L346 Y347 F348	I272-L344 HydrophobicContact CD1-CD2 3.67Å; I272-L344 HydrophobicContact CG1-CD2 3.91Å; I272-L344 HydrophobicContact CG2-CD2 3.81Å; I272-L344 HydrophobicContact CG2-CG 4.46Å; N321-L344 HydrophobicContact CB-CD2 4.39Å; Y322-L344 HydrophobicContact CD1-CD1 3.53Å; Y322-L344 HydrophobicContact CE1-CD1 4.07Å; Y322-L344 HydrophobicContact CG-CD1 4.37Å; M340-L344 PolarHBondContact O-N 2.91Å; M340-L344 HydrophobicContact SD-CD1 3.41Å; M340-L344 WeakPolarHBondContact SD-CD1 3.3Å; M340-L344 HydrophobicContact SD-CG 3.94Å; M341-L344 PolarHBondContact O-N 3.09Å; M341-L344 HydrophobicContact SD-CD1 4.46Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 3.03Å; L344-Y347 WeakPolarHBondContact O-CB 3.48Å; L344-Y347 PolarHBondContact O-N 3.04Å; L344-F348 HydrophobicContact CB-CE2 4.31Å; L344-F348 WeakPolarHBondContact O-CD2 3.32Å; L344-F348 PolarHBondContact O-N 2.83Å
345	D	94.9	Very high	94.6	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-55	-49.9	176.4	-82.5	-27.6	0	0	0	110.8	K284 K315 M341 Y347 F348 Q349	K284-D345 IonicContact NZ-OD2 2.66Å; K284-D345 PolarHBondContact NZ-OD2 2.85Å; K315-D345 WeakPolarHBondContact CE-OD1 3.2Å; K315-D345 IonicContact NZ-OD1 2.76Å; K315-D345 PolarHBondContact NZ-OD1 2.75Å; K315-D345 IonicContact NZ-OD2 2.74Å; M341-D345 WeakPolarHBondContact O-CB 3.28Å; M341-D345 PolarHBondContact O-N 2.93Å; D345-Y347 PolarHBondContact O-N 2.62Å; D345-F348 PolarHBondContact O-N 3.11Å; D345-Q349 WeakPolarHBondContact O-CG 3.34Å; D345-Q349 PolarHBondContact O-N 3.07Å
346	L	96.1	Very high	94.9	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-41.4	177.6	-177.6	62.4	0	0	0	111.8	K287 F288 A342 L344 F348 Q349 L350	K287-L346 HydrophobicContact CB-CD1 4.33Å; K287-L346 HydrophobicContact CB-CD2 3.92Å; K287-L346 HydrophobicContact CD-CD2 4.34Å; F288-L346 HydrophobicContact CB-CD1 4.04Å; F288-L346 HydrophobicContact CD2-CD1 4.34Å; A342-L346 PolarHBondContact O-N 2.95Å; A342-L346 VanDerWaalsContact O-N 3.1Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 3.03Å; L346-F348 PolarHBondContact O-N 3.21Å; L346-Q349 PolarHBondContact O-N 3.25Å; L346-L350 HydrophobicContact CD1-CD1 3.98Å; L346-L350 HydrophobicContact CD1-CG 4.09Å; L346-L350 HydrophobicContact CG-CD1 3.83Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 2.85Å
347	Y	96.9	Very high	95.3	Very high	11 Å²	11	20 Å²	20	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-46.3	175.5	168.9	-94.5	0	0	0	112.3	N268 A271 I272 A343 L344 D345 L350 C351	N268-Y347 PolarHBondContact ND2-OH 3.4Å; A271-Y347 HydrophobicContact CB-CD2 4Å; A271-Y347 HydrophobicContact CB-CE2 3.65Å; I272-Y347 HydrophobicContact CD1-CD1 4.47Å; I272-Y347 HydrophobicContact CG1-CD1 3.94Å; I272-Y347 HydrophobicContact CG1-CD2 3.82Å; I272-Y347 HydrophobicContact CG1-CE1 4.32Å; I272-Y347 HydrophobicContact CG1-CE2 4.19Å; I272-Y347 HydrophobicContact CG1-CG 3.68Å; A343-Y347 WeakPolarHBondContact O-CB 3.4Å; A343-Y347 PolarHBondContact O-N 2.7Å; L344-Y347 WeakPolarHBondContact O-CB 3.48Å; L344-Y347 PolarHBondContact O-N 3.04Å; D345-Y347 PolarHBondContact O-N 2.62Å; Y347-L350 PolarHBondContact O-N 3.24Å; Y347-C351 PolarHBondContact O-N 3.19Å; Y347-C351 PolarHBondContact O-SG 3.04Å
348	F	96	Very high	95.9	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-40.3	176.8	-71.3	-61.6	0	0	0	112.2	F311 E314 K315 N321 Y322 L344 D345 L346 L350 C351 S352	F311-F348 HydrophobicContact CD2-CB 3.75Å; F311-F348 HydrophobicContact CE2-CB 3.71Å; E314-F348 HydrophobicContact CB-CD1 3.79Å; E314-F348 HydrophobicContact CB-CE1 4.18Å; E314-F348 VanDerWaalsContact O-CE1 3.23Å; E314-F348 WeakPolarHBondContact O-CE1 3.46Å; K315-F348 HydrophobicContact CB-CD2 4.46Å; K315-F348 HydrophobicContact CG-CD2 4.46Å; N321-F348 HydrophobicContact CB-CE1 4.24Å; N321-F348 HydrophobicContact CB-CZ 3.85Å; N321-F348 WeakPolarHBondContact ND2-CE1 3.48Å; Y322-F348 HydrophobicContact CE1-CE2 4.3Å; Y322-F348 HydrophobicContact CE2-CZ 4.46Å; L344-F348 HydrophobicContact CB-CE2 4.31Å; L344-F348 WeakPolarHBondContact O-CD2 3.32Å; L344-F348 PolarHBondContact O-N 2.83Å; D345-F348 PolarHBondContact O-N 3.11Å; L346-F348 PolarHBondContact O-N 3.21Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 2.93Å; F348-C351 PolarHBondContact O-N 2.88Å; F348-S352 WeakPolarHBondContact O-CB 3.49Å; F348-S352 PolarHBondContact O-N 3.14Å; F348-S352 PolarHBondContact O-OG 3.43Å
349	Q	96.8	Very high	96.3	Very high	38 Å²	38	15.4 Å²	15.4	18%	0.178	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-45.9	174.6	-71.3	176.2	-63.3	0	0	111	F288 F306 F311 D345 L346 C351 S352 V353	F288-Q349 HydrophobicContact CD2-CB 3.72Å; F288-Q349 HydrophobicContact CE2-CB 3.79Å; F306-Q349 HydrophobicContact CE2-CB 4.11Å; F306-Q349 HydrophobicContact CE2-CG 4.43Å; F306-Q349 WeakPolarHBondContact CE2-O 3.42Å; F306-Q349 HydrophobicContact CZ-CG 4.35Å; F311-Q349 HydrophobicContact CD2-CB 4.48Å; F311-Q349 HydrophobicContact CD2-CG 3.87Å; F311-Q349 HydrophobicContact CE2-CB 4.43Å; F311-Q349 HydrophobicContact CE2-CG 3.5Å; F311-Q349 HydrophobicContact CZ-CG 3.88Å; D345-Q349 WeakPolarHBondContact O-CG 3.34Å; D345-Q349 PolarHBondContact O-N 3.07Å; L346-Q349 PolarHBondContact O-N 3.25Å; Q349-C351 PolarHBondContact O-N 2.77Å; Q349-S352 CarbonylContact O-C 2.96Å; Q349-S352 PolarHBondContact O-N 2.94Å; Q349-S352 VanDerWaalsContact O-N 3.09Å; Q349-V353 PolarHBondContact O-N 3.25Å
350	L	96.9	Very high	96.6	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-34.8	-177.9	-65.9	173.6	0	0	0	112.9	V221 T225 F288 V291 L346 Y347 F348 S352 V353	V221-L350 HydrophobicContact CG1-CB 4.18Å; V221-L350 HydrophobicContact CG2-CB 4.29Å; T225-L350 HydrophobicContact CG2-CD1 3.78Å; F288-L350 HydrophobicContact CD2-CD2 4.05Å; F288-L350 HydrophobicContact CE2-CD2 4.17Å; V291-L350 HydrophobicContact CB-CD2 3.87Å; V291-L350 HydrophobicContact CG1-CD1 4.23Å; V291-L350 HydrophobicContact CG1-CD2 3.46Å; V291-L350 VanDerWaalsContact CG1-CD2 3.46Å; V291-L350 HydrophobicContact CG1-CG 4.5Å; V291-L350 HydrophobicContact CG2-CD1 4.39Å; V291-L350 HydrophobicContact CG2-CD2 4.49Å; L346-L350 HydrophobicContact CD1-CD1 3.98Å; L346-L350 HydrophobicContact CD1-CG 4.09Å; L346-L350 HydrophobicContact CG-CD1 3.83Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 2.85Å; Y347-L350 PolarHBondContact O-N 3.24Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 2.93Å; L350-S352 PolarHBondContact O-N 2.9Å; L350-V353 HydrophobicContact CD2-CG2 4.47Å; L350-V353 PolarHBondContact O-N 3.38Å
351	C	96.3	Very high	96.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-26.8	170.9	-72.2	0	0	0	0	113	Q218 E314 Y347 F348 Q349	Q218-C351 VanDerWaalsContact CA-O 3.29Å; Q218-C351 WeakPolarHBondContact CA-O 3.47Å; Q218-C351 PolarHBondContact N-O 2.91Å; E314-C351 VanDerWaalsContact OE2-CB 3.3Å; E314-C351 WeakPolarHBondContact OE2-CB 3.45Å; Y347-C351 PolarHBondContact O-N 3.19Å; Y347-C351 PolarHBondContact O-SG 3.04Å; F348-C351 PolarHBondContact O-N 2.88Å; Q349-C351 PolarHBondContact O-N 2.77Å
352	S	97.1	Very high	97	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.6	-178.1	-63.3	0	0	0	0	114.7	S307 F311 E314 F348 Q349 L350	S307-S352 PolarHBondContact N-O 3.49Å; F311-S352 WeakPolarHBondContact CA-OG 3.25Å; F311-S352 PolarHBondContact N-OG 2.91Å; F311-S352 VanDerWaalsContact N-OG 3.11Å; E314-S352 PolarHBondContact OE2-OG 3.32Å; F348-S352 WeakPolarHBondContact O-CB 3.49Å; F348-S352 PolarHBondContact O-N 3.14Å; F348-S352 PolarHBondContact O-OG 3.43Å; Q349-S352 CarbonylContact O-C 2.96Å; Q349-S352 PolarHBondContact O-N 2.94Å; Q349-S352 VanDerWaalsContact O-N 3.09Å; L350-S352 PolarHBondContact O-N 2.9Å
353	V	97.7	Very high	97.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.5	168.5	173.5	0	0	0	0	109.6	C216 L217 F288 L292 L295 M304 F306 Q349 L350	C216-V353 CarbonylContact C-O 3.59Å; C216-V353 WeakPolarHBondContact CA-O 3.32Å; L217-V353 HydrophobicContact CD1-CB 4.41Å; L217-V353 HydrophobicContact CD1-CG1 4.06Å; L217-V353 PolarHBondContact N-O 3.4Å; F288-V353 HydrophobicContact CE2-CG2 3.97Å; F288-V353 HydrophobicContact CZ-CG2 4.21Å; L292-V353 HydrophobicContact CD1-CG1 4.38Å; L295-V353 HydrophobicContact CD1-CG1 4.24Å; M304-V353 HydrophobicContact CE-CG1 3.32Å; F306-V353 HydrophobicContact CD2-CG2 4.49Å; Q349-V353 PolarHBondContact O-N 3.25Å; L350-V353 HydrophobicContact CD2-CG2 4.47Å; L350-V353 PolarHBondContact O-N 3.38Å
354	E	97.8	Very high	97.5	Very high	37 Å²	37	7.5 Å²	7.5	17%	0.173	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141	-176.6	-65.8	171.1	139	0	0	111.8	F215 Y303 G305 F306 S307	F215-E354 CarbonylContact O-C 3.45Å; F215-E354 VanDerWaalsContact O-CA 3.29Å; F215-E354 WeakPolarHBondContact O-CA 3.38Å; Y303-E354 HydrophobicContact CE1-CB 4.26Å; G305-E354 PolarHBondContact N-O 2.84Å; G305-E354 PolarHBondContact O-N 3.14Å; F306-E354 PolarHBondContact N-OE2 3.35Å; S307-E354 VanDerWaalsContact CB-CD 3.41Å; S307-E354 WeakPolarHBondContact CB-OE1 3.35Å; S307-E354 PolarHBondContact N-OE2 3.35Å; S307-E354 PolarHBondContact OG-OE1 3.05Å
355	V	98.3	Very high	97.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.4	174.8	-64.4	0	0	0	0	110.2	P214 F215 L217 M304 M363	P214-V355 CarbonylContact C-O 3.57Å; P214-V355 WeakPolarHBondContact CA-O 3.49Å; F215-V355 WeakPolarHBondContact CD1-O 3.34Å; F215-V355 HydrophobicContact CD2-CG2 4.28Å; F215-V355 HydrophobicContact CE1-CG2 4.3Å; F215-V355 HydrophobicContact CE2-CG2 3.66Å; F215-V355 HydrophobicContact CZ-CG2 3.7Å; F215-V355 PolarHBondContact N-O 2.95Å; F215-V355 PolarHBondContact O-N 2.99Å; L217-V355 HydrophobicContact CD1-CG1 3.79Å; L217-V355 HydrophobicContact CD2-CB 4.4Å; L217-V355 HydrophobicContact CD2-CG1 3.97Å; L217-V355 HydrophobicContact CD2-CG2 3.54Å; L217-V355 HydrophobicContact CG-CB 4.35Å; L217-V355 HydrophobicContact CG-CG1 3.68Å; L217-V355 HydrophobicContact CG-CG2 3.74Å; M304-V355 HydrophobicContact CE-CG1 4.26Å; M304-V355 HydrophobicContact SD-CG1 3.74Å; V355-M363 HydrophobicContact CG1-CE 3.73Å; V355-M363 HydrophobicContact CG1-SD 4.47Å
356	T	98.6	Very high	97.9	Very high	11 Å²	11	6.5 Å²	6.5	7%	0.067	3%	0.031	C	C	.	.			trans	-97.2	171.8	162.4	56	0	0	0	0	110.1	T211 K212 Y303 E358 S359 G360	T211-T356 WeakPolarHBondContact O-CB 3.29Å; K212-T356 WeakPolarHBondContact O-CG2 3.35Å; Y303-T356 HydrophobicContact CD1-CG2 3.81Å; Y303-T356 HydrophobicContact CE1-CG2 4.5Å; Y303-T356 HydrophobicContact CG-CG2 4.15Å; T356-E358 PolarHBondContact O-N 2.86Å; T356-S359 PolarHBondContact N-OG 3.39Å; T356-S359 PolarHBondContact O-OG 3.34Å; T356-S359 PolarHBondContact OG1-N 2.66Å; T356-S359 PolarHBondContact OG1-OG 2.87Å; T356-G360 PolarHBondContact O-N 2.91Å
357	C	98.6	Very high	98	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.5	-36.2	169.3	-62	0	0	0	0	110.6	S197 T211 G360 S361 M432	S197-C357 VanDerWaalsContact CB-C 3.44Å; S197-C357 VanDerWaalsContact CB-O 3.29Å; S197-C357 WeakPolarHBondContact CB-O 3.5Å; S197-C357 WeakPolarHBondContact OG-CB 3.48Å; T211-C357 HydrophobicContact CG2-CB 4.31Å; T211-C357 WeakPolarHBondContact O-CB 3.32Å; T211-C357 PolarHBondContact O-N 2.93Å; C357-G360 PolarHBondContact O-N 3.49Å; C357-S361 WeakPolarHBondContact O-CB 3.41Å; C357-S361 PolarHBondContact O-N 3.46Å; C357-M432 HydrophobicContact CB-CB 4.44Å; C357-M432 HydrophobicContact CB-CG 4.32Å; C357-M432 WeakPolarHBondContact O-CB 3.38Å
358	E	98.5	Very high	98.1	Very high	30 Å²	30	5.9 Å²	5.9	14%	0.14	3%	0.029	C	C	.	.	H	α-helix	trans	-63.2	-47.4	-178.1	-73	171	-164	0	0	112.5	S197 R205 S207 T211 K212 E302 T356 S361 V362	S197-E358 PolarHBondContact OG-N 2.85Å; R205-E358 PolarHBondContact NH2-O 2.8Å; S207-E358 WeakPolarHBondContact OG-CG 3.45Å; T211-E358 PolarHBondContact OG1-OE1 2.91Å; K212-E358 VanDerWaalsContact CE-CD 3.49Å; K212-E358 WeakPolarHBondContact CE-OE1 3.27Å; K212-E358 WeakPolarHBondContact CE-OE2 3.43Å; K212-E358 VanDerWaalsContact CG-OE1 3.26Å; K212-E358 WeakPolarHBondContact CG-OE1 3.45Å; E302-E358 VanDerWaalsContact OE2-C 3.3Å; T356-E358 PolarHBondContact O-N 2.86Å; E358-S361 PolarHBondContact O-OG 2.9Å; E358-V362 WeakPolarHBondContact O-CG2 3.25Å
359	S	98.3	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-71.3	-39.6	175.3	46.4	0	0	0	0	111.9	E302 Y303 T356 S361 V362 M363	E302-S359 VanDerWaalsContact OE2-CA 3.31Å; E302-S359 WeakPolarHBondContact OE2-CA 3.43Å; E302-S359 PolarHBondContact OE2-N 3.21Å; Y303-S359 WeakPolarHBondContact O-CB 3.29Å; Y303-S359 PolarHBondContact O-OG 3.42Å; T356-S359 PolarHBondContact N-OG 3.39Å; T356-S359 PolarHBondContact O-OG 3.34Å; T356-S359 PolarHBondContact OG1-N 2.66Å; T356-S359 PolarHBondContact OG1-OG 2.87Å; S359-S361 VanDerWaalsContact C-N 3.31Å; S359-S361 PolarHBondContact O-N 3.32Å; S359-V362 PolarHBondContact O-N 2.91Å; S359-M363 PolarHBondContact O-N 3.39Å; S359-M363 VanDerWaalsContact O-N 3.09Å
360	G	98.4	Very high	98.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.1	-33.4	176.1	0	0	0	0	0	114	T356 C357 M363 A364	T356-G360 PolarHBondContact O-N 2.91Å; C357-G360 PolarHBondContact O-N 3.49Å; G360-M363 PolarHBondContact O-N 3.32Å; G360-A364 PolarHBondContact O-N 3.13Å; G360-A364 VanDerWaalsContact O-N 3.09Å
361	S	98.8	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-72.4	-34	176.5	76.4	0	0	0	0	112	S197 C357 E358 S359 A364 A365	S197-S361 WeakPolarHBondContact O-CB 3.39Å; C357-S361 WeakPolarHBondContact O-CB 3.41Å; C357-S361 PolarHBondContact O-N 3.46Å; E358-S361 PolarHBondContact O-OG 2.9Å; S359-S361 VanDerWaalsContact C-N 3.31Å; S359-S361 PolarHBondContact O-N 3.32Å; S361-A364 PolarHBondContact O-N 2.82Å; S361-A365 VanDerWaalsContact O-CB 3.27Å; S361-A365 WeakPolarHBondContact O-CB 3.29Å; S361-A365 PolarHBondContact O-N 3.44Å
362	V	98.8	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.5	-39.1	172.6	-176.9	0	0	0	0	111	C199 M298 E358 S359 A365 T366 P374 I375	C199-V362 HydrophobicContact CB-CG2 4.26Å; M298-V362 CarbonylContact O-C 3.42Å; E358-V362 WeakPolarHBondContact O-CG2 3.25Å; S359-V362 PolarHBondContact O-N 2.91Å; V362-A365 PolarHBondContact O-N 3.04Å; V362-T366 PolarHBondContact O-N 2.9Å; V362-T366 PolarHBondContact O-OG1 3.33Å; V362-P374 HydrophobicContact CG1-CG 4.31Å; V362-I375 HydrophobicContact CG1-CD1 3.92Å; V362-I375 HydrophobicContact CG1-CG1 3.9Å; V362-I375 HydrophobicContact CG2-CD1 4.09Å
363	M	98.7	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.4	-45.8	171.6	-66.1	-175.7	-176.8	0	0	112.4	L224 L295 M298 A299 M304 V355 S359 G360 A365 T366 L367	L224-M363 HydrophobicContact CD1-SD 3.7Å; L295-M363 HydrophobicContact CB-CE 4.21Å; M298-M363 HydrophobicContact CB-CB 4.48Å; M298-M363 HydrophobicContact CB-CG 4.13Å; M298-M363 WeakPolarHBondContact O-CA 3.29Å; M298-M363 PolarHBondContact O-N 3.46Å; A299-M363 HydrophobicContact CB-CE 3.87Å; A299-M363 HydrophobicContact CB-CG 4.02Å; M304-M363 HydrophobicContact CE-CE 3.81Å; M304-M363 HydrophobicContact SD-CE 3.18Å; M304-M363 WeakPolarHBondContact SD-CE 3.35Å; V355-M363 HydrophobicContact CG1-CE 3.73Å; V355-M363 HydrophobicContact CG1-SD 4.47Å; S359-M363 PolarHBondContact O-N 3.39Å; S359-M363 VanDerWaalsContact O-N 3.09Å; G360-M363 PolarHBondContact O-N 3.32Å; M363-A365 VanDerWaalsContact C-N 3.28Å; M363-A365 PolarHBondContact O-N 3.07Å; M363-T366 WeakPolarHBondContact O-CB 3.44Å; M363-T366 PolarHBondContact O-N 3.42Å; M363-L367 PolarHBondContact O-N 2.85Å
364	A	98.8	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.3	-37.4	175.3	0	0	0	0	0	111.7	G360 S361 L367 A368 L422 L423 V424 G430	G360-A364 PolarHBondContact O-N 3.13Å; G360-A364 VanDerWaalsContact O-N 3.09Å; S361-A364 PolarHBondContact O-N 2.82Å; A364-L367 WeakPolarHBondContact O-CB 3.45Å; A364-L367 PolarHBondContact O-N 3.31Å; A364-A368 PolarHBondContact O-N 3.24Å; A364-L422 HydrophobicContact CB-CD1 3.71Å; A364-L422 HydrophobicContact CB-CG 4.26Å; A364-L423 WeakPolarHBondContact CB-O 3.26Å; A364-V424 HydrophobicContact CB-CG2 4.19Å; A364-G430 VanDerWaalsContact CB-CA 3.43Å
365	A	98.8	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-73.7	-31.5	-179.2	0	0	0	0	0	112.1	C199 S361 V362 M363 L367 A368 N369 P374	C199-A365 HydrophobicContact CB-CB 3.78Å; C199-A365 VanDerWaalsContact O-CB 3.24Å; C199-A365 WeakPolarHBondContact O-CB 3.33Å; S361-A365 VanDerWaalsContact O-CB 3.27Å; S361-A365 WeakPolarHBondContact O-CB 3.29Å; S361-A365 PolarHBondContact O-N 3.44Å; V362-A365 PolarHBondContact O-N 3.04Å; M363-A365 VanDerWaalsContact C-N 3.28Å; M363-A365 PolarHBondContact O-N 3.07Å; A365-L367 VanDerWaalsContact C-N 3.28Å; A365-L367 PolarHBondContact O-N 3.36Å; A365-A368 CarbonylContact O-C 3.56Å; A365-A368 WeakPolarHBondContact O-CA 3.45Å; A365-A368 WeakPolarHBondContact O-CB 3.48Å; A365-A368 PolarHBondContact O-N 3.43Å; A365-A368 VanDerWaalsContact O-N 3.09Å; A365-N369 VanDerWaalsContact O-CB 3.25Å; A365-N369 WeakPolarHBondContact O-CB 3.42Å; A365-N369 PolarHBondContact O-N 3.04Å; A365-P374 HydrophobicContact CB-CG 3.75Å
366	T	98.8	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-38.2	167.7	-59.8	0	0	0	0	111.5	M298 V362 M363 G371 C373 V380	M298-T366 HydrophobicContact CB-CG2 4.39Å; M298-T366 HydrophobicContact CE-CG2 4.34Å; M298-T366 HydrophobicContact CG-CG2 4.16Å; M298-T366 PolarHBondContact O-OG1 3.26Å; V362-T366 PolarHBondContact O-N 2.9Å; V362-T366 PolarHBondContact O-OG1 3.33Å; M363-T366 WeakPolarHBondContact O-CB 3.44Å; M363-T366 PolarHBondContact O-N 3.42Å; T366-G371 VanDerWaalsContact O-CA 3.3Å; T366-G371 WeakPolarHBondContact O-CA 3.35Å; T366-G371 PolarHBondContact O-N 3.02Å; T366-C373 WeakPolarHBondContact OG1-CA 3.22Å; T366-V380 HydrophobicContact CG2-CB 4.43Å; T366-V380 HydrophobicContact CG2-CG2 4.43Å
367	L	98.8	Very high	98.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-71.5	-36.3	171	-62.6	176.5	0	0	0	112.2	L224 M298 M363 A364 A365 N369 L381 V386 T389 L390 M393 V424	L224-L367 HydrophobicContact CD2-CD1 4.06Å; M298-L367 HydrophobicContact CE-CD2 3.87Å; M298-L367 HydrophobicContact CE-CG 3.97Å; M363-L367 PolarHBondContact O-N 2.85Å; A364-L367 WeakPolarHBondContact O-CB 3.45Å; A364-L367 PolarHBondContact O-N 3.31Å; A365-L367 VanDerWaalsContact C-N 3.28Å; A365-L367 PolarHBondContact O-N 3.36Å; L367-N369 VanDerWaalsContact C-N 3.27Å; L367-N369 PolarHBondContact O-N 3.31Å; L367-L381 HydrophobicContact CD2-CD1 3.76Å; L367-V386 HydrophobicContact CD2-CG1 4.47Å; L367-V386 HydrophobicContact CD2-CG2 4.15Å; L367-V386 WeakPolarHBondContact O-CG1 3.36Å; L367-T389 HydrophobicContact CD1-CG2 4.4Å; L367-L390 HydrophobicContact CB-CD2 4.23Å; L367-M393 HydrophobicContact CD1-SD 4.17Å; L367-V424 HydrophobicContact CB-CG1 4.44Å; L367-V424 HydrophobicContact CB-CG2 4.15Å; L367-V424 HydrophobicContact CD1-CG2 4.3Å
368	A	98.8	Very high	98.3	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-35	174.6	0	0	0	0	0	112.3	V201 A364 A365 G370 V424 N427	V201-A368 HydrophobicContact CG1-CB 3.72Å; A364-A368 PolarHBondContact O-N 3.24Å; A365-A368 CarbonylContact O-C 3.56Å; A365-A368 WeakPolarHBondContact O-CA 3.45Å; A365-A368 WeakPolarHBondContact O-CB 3.48Å; A365-A368 PolarHBondContact O-N 3.43Å; A365-A368 VanDerWaalsContact O-N 3.09Å; A368-G370 VanDerWaalsContact C-N 3.34Å; A368-G370 PolarHBondContact O-N 2.76Å; A368-V424 HydrophobicContact CB-CG1 3.75Å; A368-N427 WeakPolarHBondContact O-CA 3.28Å; A368-N427 PolarHBondContact O-N 3.33Å
369	N	98.6	Very high	98.3	Very high	46 Å²	46	19.5 Å²	19.5	25%	0.246	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	32.6	-175.5	-163.4	29.1	0	0	0	113.2	V201 A365 L367 G371 I372	V201-N369 HydrophobicContact CB-CB 3.91Å; V201-N369 HydrophobicContact CG1-CB 3.72Å; A365-N369 VanDerWaalsContact O-CB 3.25Å; A365-N369 WeakPolarHBondContact O-CB 3.42Å; A365-N369 PolarHBondContact O-N 3.04Å; L367-N369 VanDerWaalsContact C-N 3.27Å; L367-N369 PolarHBondContact O-N 3.31Å; N369-G371 PolarHBondContact O-N 3.04Å; N369-I372 WeakPolarHBondContact CB-O 3.27Å; N369-I372 PolarHBondContact ND2-O 3.31Å; N369-I372 PolarHBondContact O-N 3.44Å; N369-I372 VanDerWaalsContact O-N 3.15Å
370	G	98.1	Very high	98.3	Very high	32 Å²	32	20 Å²	20	33%	0.33	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	9.9	173.4	0	0	0	0	0	116.2	A368	A368-G370 VanDerWaalsContact C-N 3.34Å; A368-G370 PolarHBondContact O-N 2.76Å
371	G	98	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	110	-2.1	-178.9	0	0	0	0	0	114.8	T366 N369 V380 L381	T366-G371 VanDerWaalsContact O-CA 3.3Å; T366-G371 WeakPolarHBondContact O-CA 3.35Å; T366-G371 PolarHBondContact O-N 3.02Å; N369-G371 PolarHBondContact O-N 3.04Å; G371-V380 PolarHBondContact O-N 3.33Å; G371-L381 PolarHBondContact O-N 3.29Å; G371-L381 VanDerWaalsContact O-N 3.12Å
372	I	98.7	Very high	98.3	Very high	70 Å²	70	22.3 Å²	22.3	36%	0.359	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-93.3	126.3	177.4	-61.8	165.2	0	0	0	109.3	N369 E378	N369-I372 WeakPolarHBondContact CB-O 3.27Å; N369-I372 PolarHBondContact ND2-O 3.31Å; N369-I372 PolarHBondContact O-N 3.44Å; N369-I372 VanDerWaalsContact O-N 3.15Å; I372-E378 CarbonylContact C-O 3.43Å; I372-E378 VanDerWaalsContact CA-O 3.32Å; I372-E378 WeakPolarHBondContact CA-O 3.43Å
373	C	98.6	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.176	C	C	.	.			trans	-67.6	122.8	178.4	-177.8	0	0	0	0	110.2	K297 T366 I375 T376 G377 E378 V380	K297-C373 PolarHBondContact O-SG 2.88Å; T366-C373 WeakPolarHBondContact OG1-CA 3.22Å; C373-I375 VanDerWaalsContact C-N 3.32Å; C373-I375 PolarHBondContact O-N 3.17Å; C373-T376 WeakPolarHBondContact CB-OG1 3.41Å; C373-T376 PolarHBondContact O-N 3.44Å; C373-G377 WeakPolarHBondContact O-CA 3.48Å; C373-G377 PolarHBondContact O-N 2.9Å; C373-E378 PolarHBondContact N-O 2.89Å; C373-V380 HydrophobicContact CB-CG2 4.04Å
374	P	98.1	Very high	98.2	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.019	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.8	-170.1	27.2	-37.2	0	0	0	113.2	R107 T200 V201 V362 A365	R107-P374 PolarHBondContact NE-O 3.46Å; R107-P374 PolarHBondContact NH1-O 3.36Å; T200-P374 WeakPolarHBondContact O-CB 3.48Å; V201-P374 VanDerWaalsContact O-CB 3.27Å; V201-P374 WeakPolarHBondContact O-CB 3.07Å; V362-P374 HydrophobicContact CG1-CG 4.31Å; A365-P374 HydrophobicContact CB-CG 3.75Å
375	I	97.8	Very high	98.1	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-1	-176.8	67.9	171.3	0	0	0	114.3	P106 R107 E302 V362 C373	P106-I375 WeakPolarHBondContact CD-O 3.29Å; R107-I375 WeakPolarHBondContact CG-O 3.23Å; E302-I375 HydrophobicContact CG-CD1 4.38Å; V362-I375 HydrophobicContact CG1-CD1 3.92Å; V362-I375 HydrophobicContact CG1-CG1 3.9Å; V362-I375 HydrophobicContact CG2-CD1 4.09Å; C373-I375 VanDerWaalsContact C-N 3.32Å; C373-I375 PolarHBondContact O-N 3.17Å
376	T	97.6	Very high	98.1	Very high	42 Å²	42	29.7 Å²	29.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-22.6	175.1	69.3	0	0	0	0	113.6	P106 C373 E378	P106-T376 HydrophobicContact CB-CG2 4.42Å; P106-T376 HydrophobicContact CG-CG2 4.28Å; C373-T376 WeakPolarHBondContact CB-OG1 3.41Å; C373-T376 PolarHBondContact O-N 3.44Å; T376-E378 PolarHBondContact O-N 3.03Å; T376-E378 PolarHBondContact OG1-N 3.28Å
377	G	96.4	Very high	98.1	Very high	50 Å²	50	36.8 Å²	36.8	52%	0.515	22%	0.222	S	C	.	.			trans	75.8	2.3	-172	0	0	0	0	0	114.4	C373	C373-G377 WeakPolarHBondContact O-CA 3.48Å; C373-G377 PolarHBondContact O-N 2.9Å
378	E	97.7	Very high	98.1	Very high	70 Å²	70	37.9 Å²	37.9	33%	0.327	23%	0.228	S	C	.	.			trans	-71.3	131.4	178.9	-170.9	179.1	-173.1	0	0	111.4	K297 I372 C373 T376 V380	K297-E378 WeakPolarHBondContact CD-OE1 3.5Å; K297-E378 WeakPolarHBondContact CD-OE2 3.25Å; K297-E378 VanDerWaalsContact CE-OE1 3.27Å; K297-E378 WeakPolarHBondContact CE-OE1 3.36Å; K297-E378 WeakPolarHBondContact CG-OE2 3.37Å; K297-E378 IonicContact NZ-OE1 3.86Å; K297-E378 PolarHBondContact NZ-OE1 3.15Å; K297-E378 IonicContact NZ-OE2 2.66Å; I372-E378 CarbonylContact C-O 3.43Å; I372-E378 VanDerWaalsContact CA-O 3.32Å; I372-E378 WeakPolarHBondContact CA-O 3.43Å; C373-E378 PolarHBondContact N-O 2.89Å; T376-E378 PolarHBondContact O-N 3.03Å; T376-E378 PolarHBondContact OG1-N 3.28Å; E378-V380 HydrophobicContact CB-CG2 4.36Å; E378-V380 HydrophobicContact CG-CG2 4.4Å; E378-V380 WeakPolarHBondContact O-CG2 3.31Å; E378-V380 PolarHBondContact O-N 2.67Å; E378-V380 VanDerWaalsContact O-N 3.15Å
379	S	97.8	Very high	98.1	Very high	89 Å²	89	37.8 Å²	37.8	62%	0.622	23%	0.227	S	C	*	.	B	Isolated β-bridge	trans	-77.2	92.2	170.7	175	0	0	0	0	110.6
380	V	98	Very high	98.1	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	22%	0.22	C	C	.	.			trans	-85.3	-36.1	-173.1	-167.6	0	0	0	0	113.1	Y294 K297 M298 T366 G371 C373 E378	Y294-V380 HydrophobicContact CD1-CG1 4.07Å; Y294-V380 VanDerWaalsContact CE1-O 3.3Å; Y294-V380 WeakPolarHBondContact CE1-O 3.46Å; K297-V380 HydrophobicContact CB-CB 4.38Å; K297-V380 HydrophobicContact CB-CG1 3.59Å; K297-V380 HydrophobicContact CB-CG2 3.83Å; K297-V380 HydrophobicContact CD-CG1 4.49Å; M298-V380 HydrophobicContact CG-CB 4.35Å; M298-V380 HydrophobicContact CG-CG1 3.71Å; T366-V380 HydrophobicContact CG2-CB 4.43Å; T366-V380 HydrophobicContact CG2-CG2 4.43Å; G371-V380 PolarHBondContact O-N 3.33Å; C373-V380 HydrophobicContact CB-CG2 4.04Å; E378-V380 HydrophobicContact CB-CG2 4.36Å; E378-V380 HydrophobicContact CG-CG2 4.4Å; E378-V380 WeakPolarHBondContact O-CG2 3.31Å; E378-V380 PolarHBondContact O-N 2.67Å; E378-V380 VanDerWaalsContact O-N 3.15Å
381	L	98.3	Very high	98.1	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	23%	0.227	C	C	.	.	S	Bend	trans	-128.2	154.8	-175.8	-64.8	172.7	0	0	0	111.4	A227 I228 S231 Y294 M298 L367 G371 V386	A227-L381 HydrophobicContact CB-CD1 3.8Å; A227-L381 HydrophobicContact CB-CD2 4.1Å; I228-L381 HydrophobicContact CG1-CD2 4.13Å; S231-L381 WeakPolarHBondContact OG-CD2 3.29Å; Y294-L381 HydrophobicContact CD1-CD2 4.2Å; Y294-L381 HydrophobicContact CE1-CD2 4.45Å; M298-L381 HydrophobicContact CE-CD1 3.56Å; M298-L381 HydrophobicContact CG-CD1 4.49Å; M298-L381 HydrophobicContact SD-CD1 3.79Å; M298-L381 HydrophobicContact SD-CG 4.33Å; L367-L381 HydrophobicContact CD2-CD1 3.76Å; G371-L381 PolarHBondContact O-N 3.29Å; G371-L381 VanDerWaalsContact O-N 3.12Å; L381-V386 HydrophobicContact CB-CG2 3.82Å; L381-V386 HydrophobicContact CD1-CG2 4.03Å
382	S	98.3	Very high	98.1	Very high	43 Å²	43	38.7 Å²	38.7	30%	0.301	23%	0.229	S	C	.	.			trans	-73.2	142.3	171.3	74.8	0	0	0	0	111	S231 E384 A385 V386	S231-S382 PolarHBondContact OG-N 2.82Å; S231-S382 VanDerWaalsContact OG-N 3.11Å; S382-E384 PolarHBondContact O-N 2.91Å; S382-E384 VanDerWaalsContact O-N 3.15Å; S382-A385 WeakPolarHBondContact O-CB 3.37Å; S382-A385 PolarHBondContact O-N 3.15Å; S382-A385 WeakPolarHBondContact OG-CB 3.29Å; S382-A385 PolarHBondContact OG-N 3.33Å; S382-V386 PolarHBondContact O-N 2.99Å
383	A	97.6	Very high	98.1	Very high	69 Å²	69	35.5 Å²	35.5	57%	0.57	21%	0.213	S	C	*	.	H	α-helix	trans	-58.8	-29	177.4	0	0	0	0	0	112.8	R387	A383-R387 WeakPolarHBondContact O-CB 3.34Å; A383-R387 PolarHBondContact O-N 3.33Å
384	E	98	Very high	98	Very high	82 Å²	82	37.1 Å²	37.1	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-50.2	171	176.2	177.8	-166.1	0	0	112	I230 T235 S382 V386 R387 N388	I230-E384 HydrophobicContact CG2-CG 4.42Å; T235-E384 VanDerWaalsContact CB-OE1 3.22Å; T235-E384 WeakPolarHBondContact CB-OE1 3.42Å; T235-E384 VanDerWaalsContact OG1-CD 3.22Å; T235-E384 PolarHBondContact OG1-OE1 2.79Å; S382-E384 PolarHBondContact O-N 2.91Å; S382-E384 VanDerWaalsContact O-N 3.15Å; E384-V386 VanDerWaalsContact C-N 3.29Å; E384-V386 PolarHBondContact O-N 3.31Å; E384-R387 PolarHBondContact O-N 3.48Å; E384-N388 WeakPolarHBondContact O-CB 3.43Å; E384-N388 PolarHBondContact O-N 3.49Å; E384-N388 PolarHBondContact O-OD1 2.67Å
385	A	98.4	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-43	178	0	0	0	0	0	111.6	A227 I230 S231 S382 N388 T389	A227-A385 VanDerWaalsContact O-CB 3.26Å; A227-A385 WeakPolarHBondContact O-CB 3.45Å; I230-A385 HydrophobicContact CB-CB 3.7Å; I230-A385 HydrophobicContact CG2-CB 3.68Å; S231-A385 WeakPolarHBondContact OG-CB 3.43Å; S382-A385 WeakPolarHBondContact O-CB 3.37Å; S382-A385 PolarHBondContact O-N 3.15Å; S382-A385 WeakPolarHBondContact OG-CB 3.29Å; S382-A385 PolarHBondContact OG-N 3.33Å; A385-N388 PolarHBondContact O-N 3.49Å; A385-T389 VanDerWaalsContact O-CB 3.3Å; A385-T389 WeakPolarHBondContact O-CB 3.42Å; A385-T389 PolarHBondContact O-N 2.97Å; A385-T389 PolarHBondContact O-OG1 3.31Å
386	V	98.6	Very high	97.8	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-49.6	179	174.1	0	0	0	0	111.3	L367 L381 S382 E384 N388 T389 L390	L367-V386 HydrophobicContact CD2-CG1 4.47Å; L367-V386 HydrophobicContact CD2-CG2 4.15Å; L367-V386 WeakPolarHBondContact O-CG1 3.36Å; L381-V386 HydrophobicContact CB-CG2 3.82Å; L381-V386 HydrophobicContact CD1-CG2 4.03Å; S382-V386 PolarHBondContact O-N 2.99Å; E384-V386 VanDerWaalsContact C-N 3.29Å; E384-V386 PolarHBondContact O-N 3.31Å; V386-N388 VanDerWaalsContact C-N 3.32Å; V386-N388 PolarHBondContact O-N 3.23Å; V386-T389 PolarHBondContact O-N 3.16Å; V386-L390 HydrophobicContact CG1-CD1 3.88Å; V386-L390 HydrophobicContact CG1-CG 4.35Å; V386-L390 WeakPolarHBondContact O-CB 3.39Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.34Å; V386-L390 PolarHBondContact O-N 3.1Å
387	R	98.4	Very high	97.6	Very high	148 Å²	148	37.2 Å²	37.2	56%	0.558	22%	0.223	S	C	*	.	H	α-helix	trans	-55.5	-46	176	178.8	-177.2	63	-142	-3.3	112	A383 E384 S391	A383-R387 WeakPolarHBondContact O-CB 3.34Å; A383-R387 PolarHBondContact O-N 3.33Å; E384-R387 PolarHBondContact O-N 3.48Å; R387-S391 WeakPolarHBondContact O-CB 3.48Å; R387-S391 PolarHBondContact O-N 2.94Å; R387-S391 PolarHBondContact O-OG 3.44Å
388	N	98.4	Very high	97.5	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-42.5	-178.8	-63.3	-3.8	0	0	0	111.2	Y226 T235 E384 A385 V386 S391 L392	Y226-N388 HydrophobicContact CE1-CB 4.16Å; Y226-N388 WeakPolarHBondContact OH-CB 3.4Å; T235-N388 PolarHBondContact OG1-ND2 3.24Å; E384-N388 WeakPolarHBondContact O-CB 3.43Å; E384-N388 PolarHBondContact O-N 3.49Å; E384-N388 PolarHBondContact O-OD1 2.67Å; A385-N388 PolarHBondContact O-N 3.49Å; V386-N388 VanDerWaalsContact C-N 3.32Å; V386-N388 PolarHBondContact O-N 3.23Å; N388-S391 PolarHBondContact O-N 2.95Å; N388-L392 WeakPolarHBondContact O-CG 3.33Å; N388-L392 PolarHBondContact O-N 3.38Å; N388-L392 VanDerWaalsContact O-N 3.09Å
389	T	98.7	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-48.6	175.9	-66.6	0	0	0	0	111.7	P223 Y226 A227 L367 A385 V386 S391 L392 M393	P223-T389 HydrophobicContact CB-CG2 3.56Å; P223-T389 WeakPolarHBondContact O-CG2 3.36Å; Y226-T389 VanDerWaalsContact CD1-OG1 3.25Å; Y226-T389 WeakPolarHBondContact CD1-OG1 3.28Å; A227-T389 HydrophobicContact CB-CG2 4.47Å; A227-T389 WeakPolarHBondContact CB-OG1 3.41Å; L367-T389 HydrophobicContact CD1-CG2 4.4Å; A385-T389 VanDerWaalsContact O-CB 3.3Å; A385-T389 WeakPolarHBondContact O-CB 3.42Å; A385-T389 PolarHBondContact O-N 2.97Å; A385-T389 PolarHBondContact O-OG1 3.31Å; V386-T389 PolarHBondContact O-N 3.16Å; T389-S391 VanDerWaalsContact C-N 3.33Å; T389-S391 PolarHBondContact O-N 3.45Å; T389-L392 PolarHBondContact O-N 2.92Å; T389-M393 HydrophobicContact CG2-CG 4.32Å; T389-M393 HydrophobicContact CG2-SD 3.81Å; T389-M393 WeakPolarHBondContact O-CB 3.33Å; T389-M393 WeakPolarHBondContact O-CG 3.36Å; T389-M393 PolarHBondContact O-N 3.1Å
390	L	98.6	Very high	96.8	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.105	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-39.1	179	-67.8	175.2	0	0	0	112.1	L367 V386 L392 M393 H394 P412 V424 P426	L367-L390 HydrophobicContact CB-CD2 4.23Å; V386-L390 HydrophobicContact CG1-CD1 3.88Å; V386-L390 HydrophobicContact CG1-CG 4.35Å; V386-L390 WeakPolarHBondContact O-CB 3.39Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.34Å; V386-L390 PolarHBondContact O-N 3.1Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L390-L392 PolarHBondContact O-N 2.63Å; L390-M393 HydrophobicContact CD2-SD 4.4Å; L390-M393 PolarHBondContact O-N 3.17Å; L390-H394 WeakPolarHBondContact O-CB 3.5Å; L390-H394 PolarHBondContact O-N 2.63Å; L390-P412 HydrophobicContact CB-CB 4.31Å; L390-P412 HydrophobicContact CB-CG 4.19Å; L390-P412 HydrophobicContact CD2-CB 3.82Å; L390-P412 HydrophobicContact CD2-CG 4.17Å; L390-V424 HydrophobicContact CD2-CB 3.76Å; L390-V424 HydrophobicContact CD2-CG1 3.68Å; L390-V424 HydrophobicContact CD2-CG2 3.89Å; L390-P426 HydrophobicContact CD1-CG 4.29Å
391	S	98.1	Very high	96.5	Very high	68 Å²	68	32 Å²	32	48%	0.476	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-42.4	175.9	-57	0	0	0	0	111.8	R387 N388 T389 S395	R387-S391 WeakPolarHBondContact O-CB 3.48Å; R387-S391 PolarHBondContact O-N 2.94Å; R387-S391 PolarHBondContact O-OG 3.44Å; N388-S391 PolarHBondContact O-N 2.95Å; T389-S391 VanDerWaalsContact C-N 3.33Å; T389-S391 PolarHBondContact O-N 3.45Å; S391-S395 PolarHBondContact O-N 2.94Å; S391-S395 PolarHBondContact O-OG 3.11Å
392	L	97.9	Very high	96.3	Very high	9 Å²	9	32 Å²	32	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-78.5	-29.4	178.9	-67.1	169.2	0	0	0	113.1	Y226 K244 N264 P265 M266 N388 T389 L390 C396	Y226-L392 HydrophobicContact CD1-CD1 4.37Å; Y226-L392 HydrophobicContact CE1-CD1 3.61Å; Y226-L392 HydrophobicContact CE2-CD1 4.26Å; Y226-L392 WeakPolarHBondContact OH-CD1 3.3Å; K244-L392 WeakPolarHBondContact O-CD2 3.25Å; N264-L392 HydrophobicContact CB-CD2 4.48Å; P265-L392 HydrophobicContact CG-CD1 3.7Å; M266-L392 HydrophobicContact CE-CB 3.6Å; M266-L392 HydrophobicContact CG-CB 4.49Å; N388-L392 WeakPolarHBondContact O-CG 3.33Å; N388-L392 PolarHBondContact O-N 3.38Å; N388-L392 VanDerWaalsContact O-N 3.09Å; T389-L392 PolarHBondContact O-N 2.92Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L390-L392 PolarHBondContact O-N 2.63Å; L392-C396 WeakPolarHBondContact O-CA 3.38Å; L392-C396 VanDerWaalsContact O-CB 3.26Å; L392-C396 WeakPolarHBondContact O-CB 3.42Å; L392-C396 PolarHBondContact O-N 3.5Å
393	M	98.2	Very high	96.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-42.1	169.8	-77.8	175	66.9	0	0	110.9	P223 M266 L367 T389 L390 G397 P412 K414 L422 V424	P223-M393 HydrophobicContact CB-CG 3.78Å; P223-M393 HydrophobicContact CB-SD 3.59Å; P223-M393 VanDerWaalsContact CB-SD 3.59Å; P223-M393 HydrophobicContact CG-CG 4.38Å; P223-M393 HydrophobicContact CG-SD 4.12Å; M266-M393 HydrophobicContact CE-CG 3.91Å; M266-M393 HydrophobicContact SD-CG 4.5Å; L367-M393 HydrophobicContact CD1-SD 4.17Å; T389-M393 HydrophobicContact CG2-CG 4.32Å; T389-M393 HydrophobicContact CG2-SD 3.81Å; T389-M393 WeakPolarHBondContact O-CB 3.33Å; T389-M393 WeakPolarHBondContact O-CG 3.36Å; T389-M393 PolarHBondContact O-N 3.1Å; L390-M393 HydrophobicContact CD2-SD 4.4Å; L390-M393 PolarHBondContact O-N 3.17Å; M393-G397 WeakPolarHBondContact O-CA 3.32Å; M393-G397 PolarHBondContact O-N 2.66Å; M393-G397 VanDerWaalsContact O-N 3.11Å; M393-P412 HydrophobicContact CB-CB 3.89Å; M393-K414 HydrophobicContact CE-CB 4.25Å; M393-L422 HydrophobicContact CE-CD2 4.04Å; M393-L422 HydrophobicContact CE-CG 4.45Å; M393-V424 HydrophobicContact CE-CG2 3.99Å
394	H	97.6	Very high	95.9	Very high	35 Å²	35	34.6 Å²	34.6	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-47.6	176.9	-179.1	76.1	0	0	0	112.2	L390 G410 P412	L390-H394 WeakPolarHBondContact O-CB 3.5Å; L390-H394 PolarHBondContact O-N 2.63Å; H394-G410 PolarHBondContact CE1-O 3.41Å; H394-G410 PolarHBondContact ND1-O 2.96Å; H394-P412 HydrophobicContact CB-CG 4.4Å
395	S	95.8	Very high	95.8	Very high	39 Å²	39	30.8 Å²	30.8	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-88.6	-25.6	-175	62	0	0	0	0	115.6	S391 S402	S391-S395 PolarHBondContact O-N 2.94Å; S391-S395 PolarHBondContact O-OG 3.11Å; S395-S402 VanDerWaalsContact O-CB 3.23Å; S395-S402 WeakPolarHBondContact O-CB 3.44Å
396	C	94.9	Very high	95.7	Very high	12 Å²	12	31.6 Å²	31.6	8%	0.081	18%	0.175	C	C	.	.	H	α-helix	trans	-130.7	4.5	-167.8	-55.3	0	0	0	0	114.6	P246 M266 L392	P246-C396 VanDerWaalsContact CA-SG 3.57Å; M266-C396 HydrophobicContact CB-CB 3.95Å; M266-C396 VanDerWaalsContact CB-O 3.29Å; M266-C396 WeakPolarHBondContact CB-O 3.49Å; M266-C396 HydrophobicContact CG-CB 3.91Å; L392-C396 WeakPolarHBondContact O-CA 3.38Å; L392-C396 VanDerWaalsContact O-CB 3.26Å; L392-C396 WeakPolarHBondContact O-CB 3.42Å; L392-C396 PolarHBondContact O-N 3.5Å
397	G	93.8	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-83	-24	-165.3	0	0	0	0	0	117.7	M393 S402 A413 K414 S415	M393-G397 WeakPolarHBondContact O-CA 3.32Å; M393-G397 PolarHBondContact O-N 2.66Å; M393-G397 VanDerWaalsContact O-N 3.11Å; G397-S402 PolarHBondContact N-OG 3.34Å; G397-A413 VanDerWaalsContact CA-O 3.3Å; G397-A413 WeakPolarHBondContact CA-O 3.15Å; G397-K414 WeakPolarHBondContact O-CD 3.43Å; G397-K414 WeakPolarHBondContact O-CE 3.47Å; G397-K414 PolarHBondContact O-NZ 2.86Å; G397-S415 PolarHBondContact O-N 2.88Å
398	M	95.1	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	-111.1	37.3	-169.4	-56.3	-61.1	-73.8	0	0	112.9	F401 S402 F405 A413 S415 I421 N443 T448	M398-F401 HydrophobicContact CB-CB 4.37Å; M398-F401 WeakPolarHBondContact O-CA 3.14Å; M398-F401 VanDerWaalsContact O-CB 3.27Å; M398-F401 WeakPolarHBondContact O-CB 3.12Å; M398-F401 PolarHBondContact O-N 3.47Å; M398-S402 PolarHBondContact N-OG 3.31Å; M398-S402 PolarHBondContact O-N 3.31Å; M398-F405 HydrophobicContact CB-CB 4.22Å; M398-F405 HydrophobicContact CB-CG 4.4Å; M398-F405 HydrophobicContact CE-CD2 4.05Å; M398-F405 HydrophobicContact CE-CE2 3.92Å; M398-F405 HydrophobicContact CE-CZ 4.4Å; M398-F405 HydrophobicContact CG-CB 4.01Å; M398-F405 HydrophobicContact CG-CD1 3.86Å; M398-F405 HydrophobicContact CG-CD2 4.05Å; M398-F405 HydrophobicContact CG-CE1 4.33Å; M398-F405 HydrophobicContact CG-CE2 4.5Å; M398-F405 HydrophobicContact CG-CG 3.71Å; M398-A413 HydrophobicContact CG-CB 4.19Å; M398-A413 HydrophobicContact SD-CB 3.6Å; M398-A413 VanDerWaalsContact SD-CB 3.6Å; M398-S415 PolarHBondContact SD-N 2.88Å; M398-S415 VanDerWaalsContact SD-N 3.41Å; M398-I421 HydrophobicContact CE-CD1 3.91Å; M398-I421 HydrophobicContact CE-CG1 4.28Å; M398-I421 HydrophobicContact CE-CG2 4.16Å; M398-I421 HydrophobicContact SD-CG2 4.46Å; M398-N443 HydrophobicContact CE-CB 4.49Å; M398-N443 PolarHBondContact O-ND2 2.7Å; M398-N443 PolarHBondContact O-OD1 3.25Å; M398-T448 HydrophobicContact CE-CG2 4.09Å
399	Y	91.6	Very high	95.3	Very high	28 Å²	28	35.4 Å²	35.4	11%	0.11	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	53.5	-138.5	-174.7	-51.8	-73.2	0	0	0	111.1	S219 Y251 F401 S402 S415 G442 N443	S219-Y399 WeakPolarHBondContact CB-OH 3.45Å; Y251-Y399 HydrophobicContact CD2-CD1 4.06Å; Y251-Y399 HydrophobicContact CG-CD1 4.16Å; Y399-F401 PolarHBondContact O-N 2.83Å; Y399-F401 VanDerWaalsContact O-N 3.16Å; Y399-S402 PolarHBondContact N-OG 3.23Å; Y399-S402 WeakPolarHBondContact O-CB 3.39Å; Y399-S402 PolarHBondContact O-N 2.81Å; Y399-S402 VanDerWaalsContact O-N 3.09Å; Y399-S402 PolarHBondContact O-OG 3.41Å; Y399-S415 PolarHBondContact OH-O 3.01Å; Y399-G442 VanDerWaalsContact CE2-O 3.27Å; Y399-G442 WeakPolarHBondContact CE2-O 3.38Å; Y399-N443 WeakPolarHBondContact CD2-OD1 3.47Å
400	D	89.1	Confident	95.3	Very high	60 Å²	60	35.4 Å²	35.4	32%	0.321	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.5	-16.4	178.4	-65.2	2.5	0	0	0	112.7	R250 Y251 S402 L441	R250-D400 WeakPolarHBondContact CA-OD1 3.41Å; R250-D400 WeakPolarHBondContact CA-OD2 3.39Å; R250-D400 WeakPolarHBondContact CB-OD2 3.48Å; R250-D400 WeakPolarHBondContact CG-OD2 3.3Å; Y251-D400 WeakPolarHBondContact CD1-OD1 3.44Å; Y251-D400 PolarHBondContact N-OD1 2.85Å; D400-S402 VanDerWaalsContact C-N 3.33Å; D400-L441 HydrophobicContact CB-CD2 4.35Å
401	F	91.8	Very high	95.2	Very high	19 Å²	19	34.5 Å²	34.5	8%	0.083	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-81.2	-8.8	175.9	-165.2	-128.4	0	0	0	113.2	M398 Y399 G403 Q404 F405 L441 N443 T448	M398-F401 HydrophobicContact CB-CB 4.37Å; M398-F401 WeakPolarHBondContact O-CA 3.14Å; M398-F401 VanDerWaalsContact O-CB 3.27Å; M398-F401 WeakPolarHBondContact O-CB 3.12Å; M398-F401 PolarHBondContact O-N 3.47Å; Y399-F401 PolarHBondContact O-N 2.83Å; Y399-F401 VanDerWaalsContact O-N 3.16Å; F401-G403 VanDerWaalsContact C-N 3.32Å; F401-G403 PolarHBondContact O-N 2.78Å; F401-G403 VanDerWaalsContact O-N 3.17Å; F401-Q404 HydrophobicContact CD2-CB 3.66Å; F401-Q404 HydrophobicContact CD2-CG 4.42Å; F401-Q404 HydrophobicContact CE2-CB 3.56Å; F401-Q404 HydrophobicContact CE2-CG 4.46Å; F401-Q404 VanDerWaalsContact CE2-OE1 3.24Å; F401-Q404 HydrophobicContact CG-CB 4.49Å; F401-Q404 HydrophobicContact CZ-CB 4.34Å; F401-Q404 PolarHBondContact O-N 2.92Å; F401-F405 HydrophobicContact CD1-CB 3.94Å; F401-F405 HydrophobicContact CD1-CD2 4.07Å; F401-F405 HydrophobicContact CD1-CG 4.5Å; F401-F405 HydrophobicContact CE1-CB 4.12Å; F401-F405 AromaticContact CE1-CD2 3.84Å; F401-F405 HydrophobicContact CE1-CD2 3.84Å; F401-F405 HydrophobicContact CE1-CG 4.5Å; F401-F405 PolarHBondContact O-N 2.83Å; F401-L441 HydrophobicContact CB-CD1 3.8Å; F401-L441 HydrophobicContact CD2-CD1 3.91Å; F401-L441 HydrophobicContact CG-CD1 4.19Å; F401-N443 VanDerWaalsContact CB-ND2 3.34Å; F401-N443 WeakPolarHBondContact CB-ND2 3.44Å; F401-T448 HydrophobicContact CD1-CG2 4.45Å; F401-T448 HydrophobicContact CE1-CG2 4.26Å
402	S	93.4	Very high	95.3	Very high	8 Å²	8	31.6 Å²	31.6	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-51.3	-45	-172.2	-54.9	0	0	0	0	113.9	S395 G397 M398 Y399 D400 F405 A406	S395-S402 VanDerWaalsContact O-CB 3.23Å; S395-S402 WeakPolarHBondContact O-CB 3.44Å; G397-S402 PolarHBondContact N-OG 3.34Å; M398-S402 PolarHBondContact N-OG 3.31Å; M398-S402 PolarHBondContact O-N 3.31Å; Y399-S402 PolarHBondContact N-OG 3.23Å; Y399-S402 WeakPolarHBondContact O-CB 3.39Å; Y399-S402 PolarHBondContact O-N 2.81Å; Y399-S402 VanDerWaalsContact O-N 3.09Å; Y399-S402 PolarHBondContact O-OG 3.41Å; D400-S402 VanDerWaalsContact C-N 3.33Å; S402-F405 PolarHBondContact O-N 3.46Å; S402-A406 VanDerWaalsContact O-CB 3.29Å; S402-A406 WeakPolarHBondContact O-CB 3.3Å; S402-A406 PolarHBondContact O-N 3.37Å
403	G	93.2	Very high	95.3	Very high	55 Å²	55	31.1 Å²	31.1	57%	0.567	17%	0.169	S	C	*	.	H	α-helix	trans	-66.6	-37.5	178.4	0	0	0	0	0	113.9	F401 F407	F401-G403 VanDerWaalsContact C-N 3.32Å; F401-G403 PolarHBondContact O-N 2.78Å; F401-G403 VanDerWaalsContact O-N 3.17Å; G403-F407 WeakPolarHBondContact O-CB 3.3Å; G403-F407 PolarHBondContact O-N 2.82Å; G403-F407 VanDerWaalsContact O-N 3.14Å
404	Q	93.8	Very high	95.3	Very high	111 Å²	111	31.1 Å²	31.1	52%	0.519	17%	0.168	S	C	.	.	H	α-helix	trans	-74.3	-36.8	176.8	-67.9	-178.8	5.8	0	0	111.4	F401 F407 H408	F401-Q404 HydrophobicContact CD2-CB 3.66Å; F401-Q404 HydrophobicContact CD2-CG 4.42Å; F401-Q404 HydrophobicContact CE2-CB 3.56Å; F401-Q404 HydrophobicContact CE2-CG 4.46Å; F401-Q404 VanDerWaalsContact CE2-OE1 3.24Å; F401-Q404 HydrophobicContact CG-CB 4.49Å; F401-Q404 HydrophobicContact CZ-CB 4.34Å; F401-Q404 PolarHBondContact O-N 2.92Å; Q404-F407 PolarHBondContact O-N 3.17Å; Q404-H408 WeakPolarHBondContact O-CB 3.47Å; Q404-H408 PolarHBondContact O-CD2 3.47Å; Q404-H408 VanDerWaalsContact O-CD2 3.24Å; Q404-H408 PolarHBondContact O-N 3.37Å
405	F	96.4	Very high	95.3	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.4	-165.9	-89.1	0	0	0	111.3	M398 F401 S402 F407 V409 G410 L411 A413 L423 C451	M398-F405 HydrophobicContact CB-CB 4.22Å; M398-F405 HydrophobicContact CB-CG 4.4Å; M398-F405 HydrophobicContact CE-CD2 4.05Å; M398-F405 HydrophobicContact CE-CE2 3.92Å; M398-F405 HydrophobicContact CE-CZ 4.4Å; M398-F405 HydrophobicContact CG-CB 4.01Å; M398-F405 HydrophobicContact CG-CD1 3.86Å; M398-F405 HydrophobicContact CG-CD2 4.05Å; M398-F405 HydrophobicContact CG-CE1 4.33Å; M398-F405 HydrophobicContact CG-CE2 4.5Å; M398-F405 HydrophobicContact CG-CG 3.71Å; F401-F405 HydrophobicContact CD1-CB 3.94Å; F401-F405 HydrophobicContact CD1-CD2 4.07Å; F401-F405 HydrophobicContact CD1-CG 4.5Å; F401-F405 HydrophobicContact CE1-CB 4.12Å; F401-F405 AromaticContact CE1-CD2 3.84Å; F401-F405 HydrophobicContact CE1-CD2 3.84Å; F401-F405 HydrophobicContact CE1-CG 4.5Å; F401-F405 PolarHBondContact O-N 2.83Å; S402-F405 PolarHBondContact O-N 3.46Å; F405-F407 PolarHBondContact O-N 3.47Å; F405-V409 HydrophobicContact CD1-CB 4.06Å; F405-V409 HydrophobicContact CD2-CB 4.21Å; F405-V409 HydrophobicContact CD2-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CB 3.89Å; F405-V409 HydrophobicContact CE1-CG1 3.84Å; F405-V409 HydrophobicContact CE1-CG2 4.48Å; F405-V409 HydrophobicContact CE2-CB 4.07Å; F405-V409 HydrophobicContact CE2-CG1 4.16Å; F405-V409 HydrophobicContact CE2-CG2 3.76Å; F405-V409 HydrophobicContact CG-CB 4.22Å; F405-V409 HydrophobicContact CG-CG2 4.26Å; F405-V409 HydrophobicContact CZ-CB 3.91Å; F405-V409 HydrophobicContact CZ-CG1 3.65Å; F405-V409 HydrophobicContact CZ-CG2 4.11Å; F405-V409 CarbonylContact O-C 3.56Å; F405-V409 WeakPolarHBondContact O-CA 3.13Å; F405-V409 WeakPolarHBondContact O-CB 3.16Å; F405-V409 PolarHBondContact O-N 3.09Å; F405-G410 PolarHBondContact O-N 3.39Å; F405-L411 WeakPolarHBondContact CE1-O 3.06Å; F405-A413 HydrophobicContact CD1-CB 4.27Å; F405-A413 HydrophobicContact CE1-CB 3.45Å; F405-A413 VanDerWaalsContact CE1-CB 3.45Å; F405-A413 HydrophobicContact CZ-CB 3.74Å; F405-L423 HydrophobicContact CE1-CD1 4.38Å; F405-L423 HydrophobicContact CZ-CD1 4.13Å; F405-C451 HydrophobicContact CE2-CB 3.88Å; F405-C451 HydrophobicContact CZ-CB 3.96Å
406	A	96.6	Very high	95.3	Very high	17 Å²	17	27.6 Å²	27.6	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-28.9	174.7	0	0	0	0	0	113.3	S402 G410	S402-A406 VanDerWaalsContact O-CB 3.29Å; S402-A406 WeakPolarHBondContact O-CB 3.3Å; S402-A406 PolarHBondContact O-N 3.37Å; A406-G410 VanDerWaalsContact O-CA 3.28Å; A406-G410 WeakPolarHBondContact O-CA 3.46Å
407	F	95.3	Very high	95.2	Very high	152 Å²	152	27.9 Å²	27.9	67%	0.667	15%	0.148	S	C	*	.	H	α-helix	trans	-85.4	-37.8	179.2	-178.4	-96	0	0	0	114.1	G403 Q404 F405 H461	G403-F407 WeakPolarHBondContact O-CB 3.3Å; G403-F407 PolarHBondContact O-N 2.82Å; G403-F407 VanDerWaalsContact O-N 3.14Å; Q404-F407 PolarHBondContact O-N 3.17Å; F405-F407 PolarHBondContact O-N 3.47Å; F407-H461 PolarHBondContact O-NE2 2.92Å
408	H	94.6	Very high	95.3	Very high	104 Å²	104	28.2 Å²	28.2	48%	0.481	15%	0.15	S	C	.	.	H	α-helix	trans	-97.6	-32.9	-176.7	-67.5	-62.7	0	0	0	114.1	Q404	Q404-H408 WeakPolarHBondContact O-CB 3.47Å; Q404-H408 PolarHBondContact O-CD2 3.47Å; Q404-H408 VanDerWaalsContact O-CD2 3.24Å; Q404-H408 PolarHBondContact O-N 3.37Å
409	V	97.5	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-39.8	-179.8	-173.4	0	0	0	0	111	F405 L411 C451 Q452 V455 H461	F405-V409 HydrophobicContact CD1-CB 4.06Å; F405-V409 HydrophobicContact CD2-CB 4.21Å; F405-V409 HydrophobicContact CD2-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CB 3.89Å; F405-V409 HydrophobicContact CE1-CG1 3.84Å; F405-V409 HydrophobicContact CE1-CG2 4.48Å; F405-V409 HydrophobicContact CE2-CB 4.07Å; F405-V409 HydrophobicContact CE2-CG1 4.16Å; F405-V409 HydrophobicContact CE2-CG2 3.76Å; F405-V409 HydrophobicContact CG-CB 4.22Å; F405-V409 HydrophobicContact CG-CG2 4.26Å; F405-V409 HydrophobicContact CZ-CB 3.91Å; F405-V409 HydrophobicContact CZ-CG1 3.65Å; F405-V409 HydrophobicContact CZ-CG2 4.11Å; F405-V409 CarbonylContact O-C 3.56Å; F405-V409 WeakPolarHBondContact O-CA 3.13Å; F405-V409 WeakPolarHBondContact O-CB 3.16Å; F405-V409 PolarHBondContact O-N 3.09Å; V409-L411 HydrophobicContact CG1-CB 4.13Å; V409-L411 HydrophobicContact CG1-CD1 4.08Å; V409-L411 HydrophobicContact CG1-CG 4.19Å; V409-L411 PolarHBondContact O-N 3.12Å; V409-L411 VanDerWaalsContact O-N 3.1Å; V409-C451 HydrophobicContact CG1-CB 4.05Å; V409-C451 HydrophobicContact CG2-CB 4.37Å; V409-Q452 HydrophobicContact CG2-CG 3.75Å; V409-V455 HydrophobicContact CB-CG2 4.43Å; V409-V455 HydrophobicContact CG1-CG1 3.85Å; V409-V455 HydrophobicContact CG1-CG2 4.22Å; V409-H461 PolarHBondContact O-CD2 3.14Å
410	G	97.4	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.			trans	70.5	3.5	174.1	0	0	0	0	0	115.5	H394 F405 A406 H461 N462	H394-G410 PolarHBondContact CE1-O 3.41Å; H394-G410 PolarHBondContact ND1-O 2.96Å; F405-G410 PolarHBondContact O-N 3.39Å; A406-G410 VanDerWaalsContact O-CA 3.28Å; A406-G410 WeakPolarHBondContact O-CA 3.46Å; G410-H461 WeakPolarHBondContact CA-NE2 3.41Å; G410-H461 PolarHBondContact N-NE2 2.84Å; G410-N462 WeakPolarHBondContact O-CB 3.28Å
411	L	98.2	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-96.6	144.5	-179	-68.9	174.1	0	0	0	111.9	F405 V409 A413 L423 V425 V455 F460	F405-L411 WeakPolarHBondContact CE1-O 3.06Å; V409-L411 HydrophobicContact CG1-CB 4.13Å; V409-L411 HydrophobicContact CG1-CD1 4.08Å; V409-L411 HydrophobicContact CG1-CG 4.19Å; V409-L411 PolarHBondContact O-N 3.12Å; V409-L411 VanDerWaalsContact O-N 3.1Å; L411-A413 PolarHBondContact O-N 2.83Å; L411-L423 HydrophobicContact CB-CD1 3.67Å; L411-L423 HydrophobicContact CD1-CD1 3.91Å; L411-L423 HydrophobicContact CD1-CD2 4.18Å; L411-L423 HydrophobicContact CD1-CG 4.29Å; L411-L423 HydrophobicContact CG-CD1 4.45Å; L411-V425 HydrophobicContact CD1-CG2 3.98Å; L411-V425 HydrophobicContact CD2-CB 4.36Å; L411-V425 HydrophobicContact CD2-CG1 4.26Å; L411-V425 HydrophobicContact CD2-CG2 3.97Å; L411-V455 HydrophobicContact CD1-CG1 3.72Å; L411-V455 HydrophobicContact CG-CG1 4.21Å; L411-F460 WeakPolarHBondContact CD2-O 3.29Å
412	P	98.6	Very high	96.4	Very high	7 Å²	7	23 Å²	23	5%	0.045	13%	0.126	C	C	.	.			trans	-60.6	121.5	164.6	-21.8	32.5	0	0	0	111.2	L390 M393 H394 V424 P426	L390-P412 HydrophobicContact CB-CB 4.31Å; L390-P412 HydrophobicContact CB-CG 4.19Å; L390-P412 HydrophobicContact CD2-CB 3.82Å; L390-P412 HydrophobicContact CD2-CG 4.17Å; M393-P412 HydrophobicContact CB-CB 3.89Å; H394-P412 HydrophobicContact CB-CG 4.4Å; P412-V424 HydrophobicContact CB-CB 4.44Å; P412-V424 WeakPolarHBondContact CD-O 3.42Å; P412-V424 PolarHBondContact O-N 2.86Å; P412-P426 HydrophobicContact CG-CG 4.24Å
413	A	98.4	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.7	177.4	0	0	0	0	0	111.9	G397 M398 F405 L411 I421 L422 L423	G397-A413 VanDerWaalsContact CA-O 3.3Å; G397-A413 WeakPolarHBondContact CA-O 3.15Å; M398-A413 HydrophobicContact CG-CB 4.19Å; M398-A413 HydrophobicContact SD-CB 3.6Å; M398-A413 VanDerWaalsContact SD-CB 3.6Å; F405-A413 HydrophobicContact CD1-CB 4.27Å; F405-A413 HydrophobicContact CE1-CB 3.45Å; F405-A413 VanDerWaalsContact CE1-CB 3.45Å; F405-A413 HydrophobicContact CZ-CB 3.74Å; L411-A413 PolarHBondContact O-N 2.83Å; A413-I421 HydrophobicContact CB-CG2 4.31Å; A413-L422 CarbonylContact C-O 3.53Å; A413-L422 WeakPolarHBondContact CA-O 3.4Å; A413-L423 HydrophobicContact CB-CD1 3.85Å
414	K	98.3	Very high	96.9	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.4	165.9	-173.3	75.4	-154.8	70.5	0	109.3	S219 C220 P223 M266 M393 G397 I421 L422	S219-K414 VanDerWaalsContact O-CE 3.3Å; S219-K414 WeakPolarHBondContact O-CE 3.12Å; S219-K414 VanDerWaalsContact O-CG 3.28Å; S219-K414 WeakPolarHBondContact O-CG 3.16Å; C220-K414 PolarHBondContact SG-O 2.67Å; P223-K414 HydrophobicContact CG-CB 3.95Å; P223-K414 HydrophobicContact CG-CD 4.47Å; P223-K414 HydrophobicContact CG-CG 3.96Å; M266-K414 HydrophobicContact CB-CD 4.46Å; M266-K414 HydrophobicContact SD-CD 3.96Å; M393-K414 HydrophobicContact CE-CB 4.25Å; G397-K414 WeakPolarHBondContact O-CD 3.43Å; G397-K414 WeakPolarHBondContact O-CE 3.47Å; G397-K414 PolarHBondContact O-NZ 2.86Å; K414-I421 WeakPolarHBondContact O-CA 3.3Å; K414-L422 HydrophobicContact CB-CB 4.46Å; K414-L422 PolarHBondContact N-O 3.45Å; K414-L422 PolarHBondContact O-N 3.18Å
415	S	97.1	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	154.4	173.2	-168.3	0	0	0	0	112.3	G397 M398 Y399 A420 N443	G397-S415 PolarHBondContact O-N 2.88Å; M398-S415 PolarHBondContact SD-N 2.88Å; M398-S415 VanDerWaalsContact SD-N 3.41Å; Y399-S415 PolarHBondContact OH-O 3.01Å; S415-A420 CarbonylContact C-O 3.57Å; S415-N443 WeakPolarHBondContact CB-OD1 3.44Å; S415-N443 WeakPolarHBondContact OG-CA 3.45Å; S415-N443 PolarHBondContact OG-OD1 3.17Å
416	A	95.5	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.			trans	-133.7	154.5	173.7	0	0	0	0	0	113.1	L217 Q218 C220 S418 G419 A420	L217-A416 WeakPolarHBondContact O-CB 3.35Å; Q218-A416 HydrophobicContact CB-CB 3.72Å; C220-A416 HydrophobicContact CB-CB 4.39Å; C220-A416 WeakPolarHBondContact SG-CB 3.3Å; A416-S418 PolarHBondContact O-N 3.4Å; A416-G419 PolarHBondContact O-N 3.29Å; A416-A420 HydrophobicContact CB-CB 4.24Å; A416-A420 PolarHBondContact N-O 3.45Å
417	I	94.4	Very high	97.3	Very high	18 Å²	18	21.9 Å²	21.9	9%	0.092	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.7	179.7	62.8	169.7	0	0	0	114.1	A180 Y182 I183 L186 Q218 G419 L438	A180-I417 WeakPolarHBondContact CB-O 3.32Å; Y182-I417 HydrophobicContact CE2-CD1 4.41Å; Y182-I417 WeakPolarHBondContact OH-CD1 3.37Å; I183-I417 HydrophobicContact CD1-CD1 3.59Å; L186-I417 HydrophobicContact CD1-CD1 3.62Å; L186-I417 HydrophobicContact CD1-CG1 3.75Å; Q218-I417 HydrophobicContact CB-CG1 4.12Å; Q218-I417 HydrophobicContact CG-CG1 3.96Å; Q218-I417 VanDerWaalsContact OE1-CD1 3.23Å; I417-G419 PolarHBondContact O-N 3.07Å; I417-L438 HydrophobicContact CB-CD1 4.37Å
418	S	94.8	Very high	97.5	Very high	7 Å²	7	14.8 Å²	14.8	5%	0.049	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.8	167.5	43.5	0	0	0	0	112.8	C216 A416 A420	C216-S418 WeakPolarHBondContact O-CB 3.28Å; C216-S418 PolarHBondContact O-OG 3.39Å; A416-S418 PolarHBondContact O-N 3.4Å; S418-A420 VanDerWaalsContact C-N 3.35Å
419	G	95.9	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	85.1	9.2	-173	0	0	0	0	0	113.8	A416 I417 S435 S444	A416-G419 PolarHBondContact O-N 3.29Å; I417-G419 PolarHBondContact O-N 3.07Å; G419-S435 WeakPolarHBondContact CA-O 3.24Å; G419-S435 PolarHBondContact O-N 3.08Å; G419-S444 VanDerWaalsContact O-CB 3.25Å; G419-S444 WeakPolarHBondContact O-CB 3.21Å; G419-S444 PolarHBondContact O-OG 3.44Å
420	A	97.8	Very high	97.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.5	178	0	0	0	0	0	112.3	F215 S415 A416 S418 M432 C433 L434	F215-A420 HydrophobicContact CD2-CB 3.95Å; F215-A420 HydrophobicContact CE2-CB 3.36Å; F215-A420 HydrophobicContact CZ-CB 4.08Å; S415-A420 CarbonylContact C-O 3.57Å; A416-A420 HydrophobicContact CB-CB 4.24Å; A416-A420 PolarHBondContact N-O 3.45Å; S418-A420 VanDerWaalsContact C-N 3.35Å; A420-M432 HydrophobicContact CB-SD 4.17Å; A420-C433 CarbonylContact C-O 3.5Å; A420-C433 VanDerWaalsContact CA-O 3.23Å; A420-C433 WeakPolarHBondContact CA-O 3.26Å; A420-L434 HydrophobicContact CB-CD1 4.44Å
421	I	98.6	Very high	97.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115	167.1	-58.7	178.5	0	0	0	108.6	M398 A413 K414 M432 C433 G447 T448	M398-I421 HydrophobicContact CE-CD1 3.91Å; M398-I421 HydrophobicContact CE-CG1 4.28Å; M398-I421 HydrophobicContact CE-CG2 4.16Å; M398-I421 HydrophobicContact SD-CG2 4.46Å; A413-I421 HydrophobicContact CB-CG2 4.31Å; K414-I421 WeakPolarHBondContact O-CA 3.3Å; I421-M432 WeakPolarHBondContact O-CA 3.48Å; I421-C433 HydrophobicContact CB-CB 4.47Å; I421-C433 PolarHBondContact N-O 3.2Å; I421-C433 PolarHBondContact O-N 3.28Å; I421-G447 VanDerWaalsContact CD1-C 3.49Å; I421-T448 HydrophobicContact CD1-CG2 3.98Å
422	L	98.8	Very high	97.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.3	167.4	-175.9	81.4	0	0	0	107.9	C220 P223 L224 A364 M393 A413 K414 M432	C220-L422 HydrophobicContact CB-CB 4.27Å; P223-L422 HydrophobicContact CG-CD2 4.09Å; L224-L422 HydrophobicContact CD2-CD2 4.15Å; A364-L422 HydrophobicContact CB-CD1 3.71Å; A364-L422 HydrophobicContact CB-CG 4.26Å; M393-L422 HydrophobicContact CE-CD2 4.04Å; M393-L422 HydrophobicContact CE-CG 4.45Å; A413-L422 CarbonylContact C-O 3.53Å; A413-L422 WeakPolarHBondContact CA-O 3.4Å; K414-L422 HydrophobicContact CB-CB 4.46Å; K414-L422 PolarHBondContact N-O 3.45Å; K414-L422 PolarHBondContact O-N 3.18Å; L422-M432 HydrophobicContact CB-CE 4.11Å; L422-M432 HydrophobicContact CB-SD 4.44Å; L422-M432 HydrophobicContact CD1-CE 3.5Å; L422-M432 VanDerWaalsContact CD1-CE 3.5Å; L422-M432 HydrophobicContact CG-CE 4.44Å
423	L	98.8	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.4	-176.3	179.8	71.5	0	0	0	110.2	A364 F405 L411 A413 M431 L454	A364-L423 WeakPolarHBondContact CB-O 3.26Å; F405-L423 HydrophobicContact CE1-CD1 4.38Å; F405-L423 HydrophobicContact CZ-CD1 4.13Å; L411-L423 HydrophobicContact CB-CD1 3.67Å; L411-L423 HydrophobicContact CD1-CD1 3.91Å; L411-L423 HydrophobicContact CD1-CD2 4.18Å; L411-L423 HydrophobicContact CD1-CG 4.29Å; L411-L423 HydrophobicContact CG-CD1 4.45Å; A413-L423 HydrophobicContact CB-CD1 3.85Å; L423-M431 HydrophobicContact CB-CB 4.27Å; L423-M431 HydrophobicContact CD2-CB 4.44Å; L423-M431 HydrophobicContact CD2-SD 4.02Å; L423-M431 PolarHBondContact N-O 3.45Å; L423-M431 PolarHBondContact O-N 2.97Å; L423-L454 HydrophobicContact CD2-CD2 4.16Å
424	V	98.9	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.2	178.8	-172.6	0	0	0	0	110.3	A364 L367 A368 L390 M393 P412	A364-V424 HydrophobicContact CB-CG2 4.19Å; L367-V424 HydrophobicContact CB-CG1 4.44Å; L367-V424 HydrophobicContact CB-CG2 4.15Å; L367-V424 HydrophobicContact CD1-CG2 4.3Å; A368-V424 HydrophobicContact CB-CG1 3.75Å; L390-V424 HydrophobicContact CD2-CB 3.76Å; L390-V424 HydrophobicContact CD2-CG1 3.68Å; L390-V424 HydrophobicContact CD2-CG2 3.89Å; M393-V424 HydrophobicContact CE-CG2 3.99Å; P412-V424 HydrophobicContact CB-CB 4.44Å; P412-V424 WeakPolarHBondContact CD-O 3.42Å; P412-V424 PolarHBondContact O-N 2.86Å
425	V	98.6	Very high	97.8	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.024	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	98.6	165.6	-171.7	0	0	0	0	107.1	L411 N427 V428 M429 F460	L411-V425 HydrophobicContact CD1-CG2 3.98Å; L411-V425 HydrophobicContact CD2-CB 4.36Å; L411-V425 HydrophobicContact CD2-CG1 4.26Å; L411-V425 HydrophobicContact CD2-CG2 3.97Å; V425-N427 PolarHBondContact O-N 3.15Å; V425-V428 HydrophobicContact CB-CB 4.19Å; V425-V428 HydrophobicContact CG1-CB 3.8Å; V425-V428 HydrophobicContact CG1-CG1 4.46Å; V425-V428 HydrophobicContact CG1-CG2 3.99Å; V425-V428 PolarHBondContact O-N 2.74Å; V425-M429 HydrophobicContact CB-CG 3.99Å; V425-M429 HydrophobicContact CG2-CE 3.82Å; V425-M429 HydrophobicContact CG2-CG 4.02Å; V425-M429 PolarHBondContact N-O 3.27Å; V425-M429 PolarHBondContact O-N 3.49Å; V425-F460 HydrophobicContact CG1-CB 4.18Å; V425-F460 HydrophobicContact CG1-CD1 3.85Å; V425-F460 HydrophobicContact CG1-CE1 4.41Å; V425-F460 HydrophobicContact CG1-CG 4.07Å
426	P	98.3	Very high	97.7	Very high	39 Å²	39	9.8 Å²	9.8	25%	0.253	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	136.3	-171.2	-26.9	35.4	0	0	0	113.1	L390 P412 V428	L390-P426 HydrophobicContact CD1-CG 4.29Å; P412-P426 HydrophobicContact CG-CG 4.24Å; P426-V428 PolarHBondContact O-N 3.19Å
427	N	97.9	Very high	97.8	Very high	127 Å²	127	10.5 Å²	10.5	68%	0.679	6%	0.06	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.1	-174.6	-42.4	-69	0	0	0	115.4	V153 A368 V425	V153-N427 WeakPolarHBondContact CG2-O 3.46Å; A368-N427 WeakPolarHBondContact O-CA 3.28Å; A368-N427 PolarHBondContact O-N 3.33Å; V425-N427 PolarHBondContact O-N 3.15Å
428	V	98.4	Very high	97.9	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.018	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-64.1	177.1	-175	0	0	0	0	111.5	V153 I154 T200 V201 V425 P426 F460 R476	V153-V428 HydrophobicContact CG2-CB 4.41Å; V153-V428 HydrophobicContact CG2-CG1 4.28Å; V153-V428 HydrophobicContact CG2-CG2 4.35Å; I154-V428 HydrophobicContact CD1-CG1 4.35Å; I154-V428 HydrophobicContact CG1-CG1 4.47Å; T200-V428 CarbonylContact C-O 3.33Å; T200-V428 VanDerWaalsContact CA-O 3.28Å; T200-V428 WeakPolarHBondContact CA-O 3.25Å; T200-V428 WeakPolarHBondContact CB-O 3.49Å; V201-V428 PolarHBondContact N-O 2.88Å; V425-V428 HydrophobicContact CB-CB 4.19Å; V425-V428 HydrophobicContact CG1-CB 3.8Å; V425-V428 HydrophobicContact CG1-CG1 4.46Å; V425-V428 HydrophobicContact CG1-CG2 3.99Å; V425-V428 PolarHBondContact O-N 2.74Å; P426-V428 PolarHBondContact O-N 3.19Å; V428-F460 HydrophobicContact CG1-CE1 4.07Å; V428-F460 HydrophobicContact CG1-CZ 4.49Å; V428-R476 HydrophobicContact CG2-CG 4.42Å
429	M	98.6	Very high	97.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	158.3	-173.8	62.4	177.5	177.8	0	0	113.6	F160 C199 T200 V425 M431 L454 F460	F160-M429 HydrophobicContact CE1-SD 4.25Å; F160-M429 HydrophobicContact CZ-CE 3.91Å; F160-M429 HydrophobicContact CZ-SD 3.77Å; C199-M429 CarbonylContact O-C 3.55Å; C199-M429 VanDerWaalsContact O-CA 3.25Å; C199-M429 WeakPolarHBondContact O-CA 3.19Å; C199-M429 VanDerWaalsContact O-CB 3.29Å; C199-M429 WeakPolarHBondContact O-CB 3.23Å; T200-M429 HydrophobicContact CG2-CB 4.27Å; V425-M429 HydrophobicContact CB-CG 3.99Å; V425-M429 HydrophobicContact CG2-CE 3.82Å; V425-M429 HydrophobicContact CG2-CG 4.02Å; V425-M429 PolarHBondContact N-O 3.27Å; V425-M429 PolarHBondContact O-N 3.49Å; M429-M431 HydrophobicContact CE-CG 4.31Å; M429-M431 HydrophobicContact CE-SD 3.61Å; M429-M431 HydrophobicContact CG-CG 4.45Å; M429-M431 HydrophobicContact SD-CG 4.17Å; M429-M431 HydrophobicContact SD-SD 4.13Å; M429-L454 HydrophobicContact CE-CD2 4.31Å; M429-F460 HydrophobicContact CE-CD2 4.07Å; M429-F460 HydrophobicContact CE-CE2 3.44Å; M429-F460 VanDerWaalsContact CE-CE2 3.44Å; M429-F460 HydrophobicContact CE-CZ 3.79Å
430	G	98.8	Very high	97.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.4	160.8	0	0	0	0	0	111.6	L198 C199 A364	L198-G430 WeakPolarHBondContact CA-O 3.42Å; C199-G430 PolarHBondContact N-O 3.14Å; C199-G430 PolarHBondContact O-N 3.01Å; A364-G430 VanDerWaalsContact CB-CA 3.43Å
431	M	98.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.3	174.7	-49.5	-179.6	79.5	0	0	110.7	V196 S197 L198 L423 M429 F450 L454	V196-M431 HydrophobicContact CG1-CE 4.11Å; S197-M431 CarbonylContact O-C 3.46Å; S197-M431 VanDerWaalsContact O-CA 3.26Å; S197-M431 WeakPolarHBondContact O-CA 3.22Å; L198-M431 HydrophobicContact CB-CE 3.99Å; L198-M431 HydrophobicContact CB-CG 3.84Å; L198-M431 HydrophobicContact CD2-CE 4.03Å; L423-M431 HydrophobicContact CB-CB 4.27Å; L423-M431 HydrophobicContact CD2-CB 4.44Å; L423-M431 HydrophobicContact CD2-SD 4.02Å; L423-M431 PolarHBondContact N-O 3.45Å; L423-M431 PolarHBondContact O-N 2.97Å; M429-M431 HydrophobicContact CE-CG 4.31Å; M429-M431 HydrophobicContact CE-SD 3.61Å; M429-M431 HydrophobicContact CG-CG 4.45Å; M429-M431 HydrophobicContact SD-CG 4.17Å; M429-M431 HydrophobicContact SD-SD 4.13Å; M431-F450 HydrophobicContact CE-CE1 3.63Å; M431-F450 HydrophobicContact CE-CZ 3.73Å; M431-F450 HydrophobicContact SD-CE1 4.36Å; M431-L454 HydrophobicContact SD-CD2 3.71Å
432	M	98.7	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.7	169.9	-178.3	66.1	81.8	0	0	108.7	V196 S197 F215 L217 C357 A420 I421 L422	V196-M432 WeakPolarHBondContact CA-O 3.41Å; S197-M432 PolarHBondContact N-O 2.91Å; S197-M432 PolarHBondContact O-N 3.31Å; F215-M432 HydrophobicContact CE2-SD 4.47Å; F215-M432 HydrophobicContact CZ-CG 3.92Å; F215-M432 HydrophobicContact CZ-SD 4.11Å; L217-M432 HydrophobicContact CD2-CE 4.24Å; C357-M432 HydrophobicContact CB-CB 4.44Å; C357-M432 HydrophobicContact CB-CG 4.32Å; C357-M432 WeakPolarHBondContact O-CB 3.38Å; A420-M432 HydrophobicContact CB-SD 4.17Å; I421-M432 WeakPolarHBondContact O-CA 3.48Å; L422-M432 HydrophobicContact CB-CE 4.11Å; L422-M432 HydrophobicContact CB-SD 4.44Å; L422-M432 HydrophobicContact CD1-CE 3.5Å; L422-M432 VanDerWaalsContact CD1-CE 3.5Å; L422-M432 HydrophobicContact CG-CE 4.44Å
433	C	98.3	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.9	174.3	-54.6	0	0	0	0	109.4	W194 G195 V196 A420 I421	W194-C433 HydrophobicContact CH2-CB 4.29Å; W194-C433 HydrophobicContact CZ3-CB 4.1Å; G195-C433 CarbonylContact O-C 3.42Å; G195-C433 WeakPolarHBondContact O-CA 3.03Å; V196-C433 HydrophobicContact CG2-CB 4.27Å; A420-C433 CarbonylContact C-O 3.5Å; A420-C433 VanDerWaalsContact CA-O 3.23Å; A420-C433 WeakPolarHBondContact CA-O 3.26Å; I421-C433 HydrophobicContact CB-CB 4.47Å; I421-C433 PolarHBondContact N-O 3.2Å; I421-C433 PolarHBondContact O-N 3.28Å
434	L	98.2	Very high	96.8	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.4	174.3	177.3	71.2	0	0	0	110.6	W194 G195 F215 A420	W194-L434 WeakPolarHBondContact CA-O 3.41Å; G195-L434 PolarHBondContact N-O 3.3Å; G195-L434 VanDerWaalsContact N-O 3.13Å; G195-L434 PolarHBondContact O-N 3.14Å; F215-L434 HydrophobicContact CB-CD1 4.14Å; F215-L434 HydrophobicContact CB-CD2 4.47Å; F215-L434 HydrophobicContact CD1-CD1 3.8Å; F215-L434 HydrophobicContact CD1-CD2 3.53Å; F215-L434 HydrophobicContact CD1-CG 4.14Å; F215-L434 HydrophobicContact CD2-CD1 3.95Å; F215-L434 HydrophobicContact CE1-CB 4.21Å; F215-L434 HydrophobicContact CE1-CD1 4.13Å; F215-L434 HydrophobicContact CE1-CD2 3.97Å; F215-L434 HydrophobicContact CE1-CG 4.32Å; F215-L434 HydrophobicContact CE2-CD1 4.31Å; F215-L434 HydrophobicContact CG-CD1 3.68Å; F215-L434 HydrophobicContact CG-CD2 4.15Å; F215-L434 HydrophobicContact CG-CG 4.49Å; F215-L434 HydrophobicContact CZ-CD1 4.38Å; A420-L434 HydrophobicContact CB-CD1 4.44Å
435	S	97.9	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.			trans	-142.7	112.5	158.5	-152	0	0	0	0	111.2	L193 G419 P437 S444	L193-S435 WeakPolarHBondContact O-CA 3.42Å; L193-S435 PolarHBondContact O-OG 3.24Å; G419-S435 WeakPolarHBondContact CA-O 3.24Å; G419-S435 PolarHBondContact O-N 3.08Å; S435-P437 VanDerWaalsContact C-CD 3.4Å; S435-S444 VanDerWaalsContact CB-OG 3.32Å; S435-S444 WeakPolarHBondContact CB-OG 3.08Å; S435-S444 PolarHBondContact O-OG 2.97Å
436	P	97	Very high	96.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.032	15%	0.151	C	C	.	.			trans	-55.7	-30.5	-177.2	-28.3	37.2	0	0	0	116.8	V179 L193 L438	V179-P436 HydrophobicContact CG1-CB 4.42Å; V179-P436 HydrophobicContact CG2-CB 4.2Å; L193-P436 HydrophobicContact CB-CG 4.18Å; L193-P436 HydrophobicContact CD1-CG 4.46Å; P436-L438 PolarHBondContact O-N 3.15Å
437	P	97.3	Very high	96.6	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.091	14%	0.139	C	C	.	.			trans	-64.4	115.7	174	-25.5	36.9	0	0	0	113	V179 P191 S435 Y445	V179-P437 HydrophobicContact CG2-CG 4.46Å; P191-P437 HydrophobicContact CB-CG 3.93Å; P191-P437 WeakPolarHBondContact O-CD 3.49Å; P191-P437 VanDerWaalsContact O-CG 3.28Å; P191-P437 WeakPolarHBondContact O-CG 3.38Å; S435-P437 VanDerWaalsContact C-CD 3.4Å; P437-Y445 PolarHBondContact O-N 3.41Å
438	L	96.4	Very high	96.5	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.089	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-94.3	150.1	178.5	-52.6	-177.7	0	0	0	112.3	G177 K178 A180 I417 P436 N443	G177-L438 CarbonylContact C-O 3.57Å; G177-L438 WeakPolarHBondContact CA-O 3.47Å; K178-L438 PolarHBondContact N-O 3.11Å; K178-L438 PolarHBondContact O-N 2.99Å; A180-L438 HydrophobicContact CB-CD1 4.07Å; I417-L438 HydrophobicContact CB-CD1 4.37Å; P436-L438 PolarHBondContact O-N 3.15Å; L438-N443 CarbonylContact C-O 3.54Å; L438-N443 VanDerWaalsContact CA-O 3.27Å; L438-N443 WeakPolarHBondContact CA-O 3.44Å
439	D	94.6	Very high	96.5	Very high	38 Å²	38	24.2 Å²	24.2	20%	0.203	12%	0.117	C	C	.	.			trans	-73.2	-176.3	167.3	76.1	3.7	0	0	0	112.4	L441 G442 N443 Y445	D439-L441 PolarHBondContact O-N 3.23Å; D439-L441 VanDerWaalsContact OD1-C 3.29Å; D439-L441 VanDerWaalsContact OD1-CA 3.29Å; D439-L441 WeakPolarHBondContact OD1-CA 3.42Å; D439-L441 WeakPolarHBondContact OD1-CB 3.42Å; D439-L441 PolarHBondContact OD1-N 3.39Å; D439-G442 PolarHBondContact O-N 3.5Å; D439-G442 PolarHBondContact OD1-N 2.72Å; D439-N443 PolarHBondContact N-O 2.94Å; D439-N443 PolarHBondContact OD1-N 2.87Å; D439-Y445 HydrophobicContact CB-CD2 4.33Å
440	K	92	Very high	96.5	Very high	218 Å²	218	24.2 Å²	24.2	95%	0.948	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11	178.5	-63	179	-176.6	173.7	0	114
441	L	90.3	Very high	96.4	Very high	57 Å²	57	24.2 Å²	24.2	30%	0.298	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.4	-178.1	-56.5	-179.8	0	0	0	112.4	D400 F401 D439	D400-L441 HydrophobicContact CB-CD2 4.35Å; F401-L441 HydrophobicContact CB-CD1 3.8Å; F401-L441 HydrophobicContact CD2-CD1 3.91Å; F401-L441 HydrophobicContact CG-CD1 4.19Å; D439-L441 PolarHBondContact O-N 3.23Å; D439-L441 VanDerWaalsContact OD1-C 3.29Å; D439-L441 VanDerWaalsContact OD1-CA 3.29Å; D439-L441 WeakPolarHBondContact OD1-CA 3.42Å; D439-L441 WeakPolarHBondContact OD1-CB 3.42Å; D439-L441 PolarHBondContact OD1-N 3.39Å
442	G	90.9	Very high	96.4	Very high	10 Å²	10	27.7 Å²	27.7	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	92.2	13.5	179.4	0	0	0	0	0	114.7	Y399 D439	Y399-G442 VanDerWaalsContact CE2-O 3.27Å; Y399-G442 WeakPolarHBondContact CE2-O 3.38Å; D439-G442 PolarHBondContact O-N 3.5Å; D439-G442 PolarHBondContact OD1-N 2.72Å
443	N	95.5	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-99.3	150.6	177.3	-58	-70.2	0	0	0	111.7	M398 Y399 F401 S415 L438 D439 Y445 T448	M398-N443 HydrophobicContact CE-CB 4.49Å; M398-N443 PolarHBondContact O-ND2 2.7Å; M398-N443 PolarHBondContact O-OD1 3.25Å; Y399-N443 WeakPolarHBondContact CD2-OD1 3.47Å; F401-N443 VanDerWaalsContact CB-ND2 3.34Å; F401-N443 WeakPolarHBondContact CB-ND2 3.44Å; S415-N443 WeakPolarHBondContact CB-OD1 3.44Å; S415-N443 WeakPolarHBondContact OG-CA 3.45Å; S415-N443 PolarHBondContact OG-OD1 3.17Å; L438-N443 CarbonylContact C-O 3.54Å; L438-N443 VanDerWaalsContact CA-O 3.27Å; L438-N443 WeakPolarHBondContact CA-O 3.44Å; D439-N443 PolarHBondContact N-O 2.94Å; D439-N443 PolarHBondContact OD1-N 2.87Å; N443-Y445 PolarHBondContact O-N 2.88Å; N443-T448 HydrophobicContact CB-CG2 3.73Å
444	S	96.9	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-60.4	126.2	175.9	-176.2	0	0	0	0	111.5	G419 S435 G447 T448	G419-S444 VanDerWaalsContact O-CB 3.25Å; G419-S444 WeakPolarHBondContact O-CB 3.21Å; G419-S444 PolarHBondContact O-OG 3.44Å; S435-S444 VanDerWaalsContact CB-OG 3.32Å; S435-S444 WeakPolarHBondContact CB-OG 3.08Å; S435-S444 PolarHBondContact O-OG 2.97Å; S444-G447 PolarHBondContact OG-N 3.15Å; S444-T448 WeakPolarHBondContact O-CB 3.38Å; S444-T448 WeakPolarHBondContact O-CG2 3.49Å; S444-T448 PolarHBondContact O-N 3.49Å; S444-T448 PolarHBondContact O-OG1 3.22Å
445	Y	96.1	Very high	96.2	Very high	93 Å²	93	31.2 Å²	31.2	37%	0.365	15%	0.148	S	C	.	.	H	α-helix	trans	-67.8	-50.3	-174.6	-171.4	-114.8	0	0	0	112.2	L174 G176 P437 D439 N443 T448 S449	L174-Y445 HydrophobicContact CB-CD1 4.18Å; L174-Y445 HydrophobicContact CB-CE1 3.96Å; G176-Y445 VanDerWaalsContact C-CD1 3.44Å; G176-Y445 WeakPolarHBondContact O-CD1 3.25Å; P437-Y445 PolarHBondContact O-N 3.41Å; D439-Y445 HydrophobicContact CB-CD2 4.33Å; N443-Y445 PolarHBondContact O-N 2.88Å; Y445-T448 PolarHBondContact O-OG1 3.17Å; Y445-T448 VanDerWaalsContact O-OG1 3.12Å; Y445-S449 PolarHBondContact O-N 3.13Å
446	R	97.6	Very high	96.1	Very high	19 Å²	19	35.3 Å²	35.3	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.4	-60.1	-168.5	174.3	139	-10.7	111.7	A171 K172 L174 D192 W194 T448 S449 F450	A171-R446 WeakPolarHBondContact O-CD 3.25Å; A171-R446 WeakPolarHBondContact O-CG 3.49Å; K172-R446 PolarHBondContact O-NE 2.96Å; K172-R446 PolarHBondContact O-NH2 2.92Å; L174-R446 HydrophobicContact CB-CG 4.35Å; L174-R446 PolarHBondContact O-NE 3.27Å; L174-R446 PolarHBondContact O-NH2 2.92Å; D192-R446 PolarHBondContact O-NH1 3.17Å; W194-R446 HydrophobicContact CD2-CB 4Å; W194-R446 HydrophobicContact CE3-CB 3.75Å; W194-R446 HydrophobicContact CH2-CB 3.96Å; W194-R446 HydrophobicContact CZ2-CB 4.18Å; W194-R446 HydrophobicContact CZ3-CB 3.73Å; R446-T448 PolarHBondContact O-N 2.86Å; R446-S449 PolarHBondContact O-N 3.39Å; R446-F450 WeakPolarHBondContact O-CB 3.41Å; R446-F450 PolarHBondContact O-N 3.17Å
447	G	97.6	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-41.5	-177.8	0	0	0	0	0	113.9	I421 S444 C451	I421-G447 VanDerWaalsContact CD1-C 3.49Å; S444-G447 PolarHBondContact OG-N 3.15Å; G447-C451 PolarHBondContact O-N 3.39Å; G447-C451 VanDerWaalsContact O-N 3.11Å; G447-C451 PolarHBondContact O-SG 2.94Å
448	T	97.1	Very high	95.9	Very high	11 Å²	11	37 Å²	37	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-40.1	176.9	46.5	0	0	0	0	112.4	M398 F401 I421 N443 S444 Y445 R446 C451 Q452	M398-T448 HydrophobicContact CE-CG2 4.09Å; F401-T448 HydrophobicContact CD1-CG2 4.45Å; F401-T448 HydrophobicContact CE1-CG2 4.26Å; I421-T448 HydrophobicContact CD1-CG2 3.98Å; N443-T448 HydrophobicContact CB-CG2 3.73Å; S444-T448 WeakPolarHBondContact O-CB 3.38Å; S444-T448 WeakPolarHBondContact O-CG2 3.49Å; S444-T448 PolarHBondContact O-N 3.49Å; S444-T448 PolarHBondContact O-OG1 3.22Å; Y445-T448 PolarHBondContact O-OG1 3.17Å; Y445-T448 VanDerWaalsContact O-OG1 3.12Å; R446-T448 PolarHBondContact O-N 2.86Å; T448-C451 PolarHBondContact O-N 3.19Å; T448-Q452 WeakPolarHBondContact O-CG 3.39Å; T448-Q452 PolarHBondContact O-N 2.9Å; T448-Q452 VanDerWaalsContact O-N 3.13Å
449	S	97.6	Very high	95.8	Very high	24 Å²	24	36.5 Å²	36.5	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-44	174.5	-173.7	0	0	0	0	112.2	L174 Y445 R446 C451 Q452 K453	L174-S449 VanDerWaalsContact CD1-CB 3.48Å; L174-S449 WeakPolarHBondContact CD1-OG 3.19Å; Y445-S449 PolarHBondContact O-N 3.13Å; R446-S449 PolarHBondContact O-N 3.39Å; S449-C451 VanDerWaalsContact C-N 3.33Å; S449-C451 PolarHBondContact O-N 3.43Å; S449-Q452 PolarHBondContact O-N 3.46Å; S449-Q452 VanDerWaalsContact O-N 3.15Å; S449-K453 PolarHBondContact O-N 3.19Å
450	F	98.3	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.8	-47.5	173.7	178.1	-84.6	0	0	0	111.5	V164 I167 F168 A171 W194 V196 M431 R446 Q452 K453 L454	V164-F450 HydrophobicContact CG1-CE2 4.41Å; V164-F450 HydrophobicContact CG1-CZ 4.15Å; I167-F450 HydrophobicContact CB-CD2 4.27Å; I167-F450 HydrophobicContact CB-CE2 4.03Å; I167-F450 HydrophobicContact CG2-CD2 3.54Å; I167-F450 HydrophobicContact CG2-CE2 3.73Å; I167-F450 HydrophobicContact CG2-CG 4.18Å; F168-F450 HydrophobicContact CB-CE2 4.48Å; A171-F450 HydrophobicContact CB-CB 4.3Å; W194-F450 HydrophobicContact CH2-CB 3.83Å; W194-F450 HydrophobicContact CH2-CD2 4.38Å; W194-F450 HydrophobicContact CH2-CG 4.18Å; W194-F450 HydrophobicContact CZ2-CB 4Å; W194-F450 AromaticContact CZ2-CD2 3.99Å; W194-F450 HydrophobicContact CZ2-CD2 3.99Å; W194-F450 HydrophobicContact CZ2-CG 4.21Å; V196-F450 HydrophobicContact CG1-CE1 4.08Å; V196-F450 HydrophobicContact CG1-CE2 4.17Å; V196-F450 HydrophobicContact CG1-CZ 3.75Å; V196-F450 HydrophobicContact CG2-CD2 4.24Å; V196-F450 HydrophobicContact CG2-CE2 4.22Å; V196-F450 HydrophobicContact CG2-CZ 4.49Å; M431-F450 HydrophobicContact CE-CE1 3.63Å; M431-F450 HydrophobicContact CE-CZ 3.73Å; M431-F450 HydrophobicContact SD-CE1 4.36Å; R446-F450 WeakPolarHBondContact O-CB 3.41Å; R446-F450 PolarHBondContact O-N 3.17Å; F450-Q452 VanDerWaalsContact C-N 3.34Å; F450-Q452 PolarHBondContact O-N 2.86Å; F450-K453 PolarHBondContact O-N 3.26Å; F450-L454 WeakPolarHBondContact O-CB 3.4Å; F450-L454 PolarHBondContact O-N 3.37Å
451	C	98.2	Very high	96.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-40.5	177.4	-65.2	0	0	0	0	112.8	F405 V409 G447 T448 S449 V455	F405-C451 HydrophobicContact CE2-CB 3.88Å; F405-C451 HydrophobicContact CZ-CB 3.96Å; V409-C451 HydrophobicContact CG1-CB 4.05Å; V409-C451 HydrophobicContact CG2-CB 4.37Å; G447-C451 PolarHBondContact O-N 3.39Å; G447-C451 VanDerWaalsContact O-N 3.11Å; G447-C451 PolarHBondContact O-SG 2.94Å; T448-C451 PolarHBondContact O-N 3.19Å; S449-C451 VanDerWaalsContact C-N 3.33Å; S449-C451 PolarHBondContact O-N 3.43Å; C451-V455 PolarHBondContact O-N 3.49Å
452	Q	97.5	Very high	96.3	Very high	72 Å²	72	27.5 Å²	27.5	34%	0.336	14%	0.143	S	C	.	.	H	α-helix	trans	-67.8	-43.6	177.8	-72	174.1	-15.3	0	0	112.1	V409 T448 S449 F450 V455 S456	V409-Q452 HydrophobicContact CG2-CG 3.75Å; T448-Q452 WeakPolarHBondContact O-CG 3.39Å; T448-Q452 PolarHBondContact O-N 2.9Å; T448-Q452 VanDerWaalsContact O-N 3.13Å; S449-Q452 PolarHBondContact O-N 3.46Å; S449-Q452 VanDerWaalsContact O-N 3.15Å; F450-Q452 VanDerWaalsContact C-N 3.34Å; F450-Q452 PolarHBondContact O-N 2.86Å; Q452-V455 WeakPolarHBondContact O-CG2 3.37Å; Q452-S456 WeakPolarHBondContact O-CB 3.49Å; Q452-S456 PolarHBondContact O-N 3.5Å; Q452-S456 VanDerWaalsContact O-N 3.08Å; Q452-S456 PolarHBondContact O-OG 3.14Å
453	K	97.5	Very high	96.5	Very high	73 Å²	73	34.9 Å²	34.9	32%	0.317	17%	0.169	S	C	.	.	H	α-helix	trans	-63.9	-41.1	176.1	-74.5	-170.1	172	-168.4	0	111.6	I167 D170 S449 F450 V455 S456 L457	I167-K453 HydrophobicContact CG1-CB 4.49Å; I167-K453 HydrophobicContact CG2-CB 3.54Å; I167-K453 HydrophobicContact CG2-CD 4.35Å; D170-K453 HydrophobicContact CB-CD 4.13Å; D170-K453 VanDerWaalsContact CB-NZ 3.31Å; D170-K453 VanDerWaalsContact CG-NZ 3.32Å; D170-K453 IonicContact OD2-NZ 2.83Å; D170-K453 PolarHBondContact OD2-NZ 3.33Å; S449-K453 PolarHBondContact O-N 3.19Å; F450-K453 PolarHBondContact O-N 3.26Å; K453-V455 PolarHBondContact O-N 3.23Å; K453-S456 WeakPolarHBondContact O-CB 3.43Å; K453-S456 PolarHBondContact O-N 2.96Å; K453-S456 VanDerWaalsContact O-N 3.16Å; K453-L457 PolarHBondContact O-N 3.03Å
454	L	97.5	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.5	-50.7	176.8	-171.3	76.5	0	0	0	112.2	I167 L423 M429 M431 F450 S456 L457 F458 F460	I167-L454 HydrophobicContact CD1-CD1 4.18Å; L423-L454 HydrophobicContact CD2-CD2 4.16Å; M429-L454 HydrophobicContact CE-CD2 4.31Å; M431-L454 HydrophobicContact SD-CD2 3.71Å; F450-L454 WeakPolarHBondContact O-CB 3.4Å; F450-L454 PolarHBondContact O-N 3.37Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 2.81Å; L454-L457 PolarHBondContact O-N 3.4Å; L454-F458 HydrophobicContact CD1-CD2 3.76Å; L454-F458 HydrophobicContact CD1-CE2 3.99Å; L454-F458 HydrophobicContact CG-CD2 4.3Å; L454-F458 WeakPolarHBondContact O-CB 3.48Å; L454-F458 WeakPolarHBondContact O-CD2 3.39Å; L454-F458 PolarHBondContact O-N 3.26Å; L454-F460 HydrophobicContact CD1-CE2 4.46Å; L454-F460 HydrophobicContact CD2-CD2 4.33Å; L454-F460 HydrophobicContact CG-CD2 4.16Å; L454-F460 HydrophobicContact CG-CE2 4.47Å
455	V	96.3	Very high	95.9	Very high	4 Å²	4	41 Å²	41	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-80.7	-11.7	-179.7	-56.9	0	0	0	0	114.2	V409 L411 C451 Q452 K453 F458 F460 K472	V409-V455 HydrophobicContact CB-CG2 4.43Å; V409-V455 HydrophobicContact CG1-CG1 3.85Å; V409-V455 HydrophobicContact CG1-CG2 4.22Å; L411-V455 HydrophobicContact CD1-CG1 3.72Å; L411-V455 HydrophobicContact CG-CG1 4.21Å; C451-V455 PolarHBondContact O-N 3.49Å; Q452-V455 WeakPolarHBondContact O-CG2 3.37Å; K453-V455 PolarHBondContact O-N 3.23Å; V455-F458 CarbonylContact C-O 3.5Å; V455-F458 VanDerWaalsContact O-O 3.11Å; V455-F460 HydrophobicContact CG1-CB 4.39Å; V455-K472 WeakPolarHBondContact O-CE 3.23Å; V455-K472 PolarHBondContact O-NZ 3.16Å
456	S	95.1	Very high	95.3	Very high	87 Å²	87	40.7 Å²	40.7	61%	0.608	21%	0.206	S	C	*	.	H	α-helix	trans	-76.3	-37.2	171.5	-61.3	0	0	0	0	110.5	Q452 K453 L454	Q452-S456 WeakPolarHBondContact O-CB 3.49Å; Q452-S456 PolarHBondContact O-N 3.5Å; Q452-S456 VanDerWaalsContact O-N 3.08Å; Q452-S456 PolarHBondContact O-OG 3.14Å; K453-S456 WeakPolarHBondContact O-CB 3.43Å; K453-S456 PolarHBondContact O-N 2.96Å; K453-S456 VanDerWaalsContact O-N 3.16Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 2.81Å
457	L	95.3	Very high	94.3	Very high	52 Å²	52	49.7 Å²	49.7	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-82.9	-44.5	176.8	-179	65.4	0	0	0	113	H163 I167 K453 L454 K472 L473	H163-L457 HydrophobicContact CB-CD2 3.97Å; H163-L457 WeakPolarHBondContact ND1-CD2 3.49Å; I167-L457 HydrophobicContact CD1-CD2 3.98Å; K453-L457 PolarHBondContact O-N 3.03Å; L454-L457 PolarHBondContact O-N 3.4Å; L457-K472 CarbonylContact O-C 3.52Å; L457-K472 VanDerWaalsContact O-CA 3.29Å; L457-K472 WeakPolarHBondContact O-CA 3.4Å; L457-K472 WeakPolarHBondContact O-CB 3.46Å; L457-L473 HydrophobicContact CD1-CD1 3.88Å; L457-L473 HydrophobicContact CD1-CG 4.29Å; L457-L473 HydrophobicContact CG-CD1 4.17Å; L457-L473 PolarHBondContact O-N 3.26Å
458	F	95.4	Very high	93	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-107.5	147.1	-173.7	-62.7	-68.3	0	0	0	112.8	F160 H163 I167 L454 V455 F460 L473 P475	F160-F458 AromaticContact CD2-CE1 3.9Å; F160-F458 HydrophobicContact CD2-CE1 3.9Å; F160-F458 HydrophobicContact CD2-CE2 4.14Å; F160-F458 AromaticContact CD2-CZ 3.54Å; F160-F458 HydrophobicContact CD2-CZ 3.54Å; F160-F458 HydrophobicContact CE2-CD2 4.39Å; F160-F458 HydrophobicContact CE2-CE1 4.23Å; F160-F458 AromaticContact CE2-CE2 3.82Å; F160-F458 HydrophobicContact CE2-CE2 3.82Å; F160-F458 AromaticContact CE2-CZ 3.71Å; F160-F458 HydrophobicContact CE2-CZ 3.71Å; H163-F458 HydrophobicContact CB-CE2 4.27Å; H163-F458 HydrophobicContact CB-CZ 3.65Å; I167-F458 HydrophobicContact CD1-CE2 4.31Å; L454-F458 HydrophobicContact CD1-CD2 3.76Å; L454-F458 HydrophobicContact CD1-CE2 3.99Å; L454-F458 HydrophobicContact CG-CD2 4.3Å; L454-F458 WeakPolarHBondContact O-CB 3.48Å; L454-F458 WeakPolarHBondContact O-CD2 3.39Å; L454-F458 PolarHBondContact O-N 3.26Å; V455-F458 CarbonylContact C-O 3.5Å; V455-F458 VanDerWaalsContact O-O 3.11Å; F458-F460 HydrophobicContact CB-CD1 4.49Å; F458-F460 HydrophobicContact CB-CD2 3.42Å; F458-F460 VanDerWaalsContact CB-CD2 3.42Å; F458-F460 HydrophobicContact CB-CE2 3.56Å; F458-F460 HydrophobicContact CB-CG 3.93Å; F458-F460 HydrophobicContact CB-CZ 4.2Å; F458-F460 HydrophobicContact CD1-CE2 4.48Å; F458-F460 HydrophobicContact CD2-CD2 4.22Å; F458-F460 AromaticContact CD2-CE2 3.8Å; F458-F460 HydrophobicContact CD2-CE2 3.8Å; F458-F460 HydrophobicContact CG-CD2 4.07Å; F458-F460 AromaticContact CG-CE2 3.72Å; F458-F460 HydrophobicContact CG-CE2 3.72Å; F458-F460 HydrophobicContact CG-CZ 4.31Å; F458-F460 PolarHBondContact O-N 3.29Å; F458-L473 VanDerWaalsContact CA-O 3.31Å; F458-L473 WeakPolarHBondContact CA-O 3.31Å; F458-L473 HydrophobicContact CD1-CB 3.68Å; F458-L473 HydrophobicContact CE1-CB 3.88Å; F458-L473 HydrophobicContact CE1-CD1 4.16Å; F458-P475 HydrophobicContact CD1-CG 3.98Å; F458-P475 HydrophobicContact CE1-CB 4.42Å; F458-P475 HydrophobicContact CE1-CG 4.18Å
459	N	94.5	Very high	91.5	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.027	28%	0.281	C	S	.	.	S	Bend	trans	-77.8	48.8	176.9	73	-19.9	0	0	0	113.5	D464 K472 L473 D474 R476	N459-D464 WeakPolarHBondContact CA-OD2 3.47Å; N459-D464 HydrophobicContact CB-CB 4.24Å; N459-K472 HydrophobicContact CB-CB 4.19Å; N459-K472 HydrophobicContact CB-CD 4.37Å; N459-L473 PolarHBondContact N-O 3.08Å; N459-L473 PolarHBondContact OD1-O 3.1Å; N459-D474 WeakPolarHBondContact ND2-CB 3.48Å; N459-D474 PolarHBondContact ND2-OD2 3.3Å; N459-D474 VanDerWaalsContact OD1-CA 3.31Å; N459-D474 WeakPolarHBondContact OD1-CA 3.42Å; N459-D474 VanDerWaalsContact OD1-CB 3.3Å; N459-D474 WeakPolarHBondContact OD1-CB 3.41Å; N459-D474 PolarHBondContact OD1-OD1 3.32Å; N459-R476 VanDerWaalsContact CG-NH2 3.3Å; N459-R476 PolarHBondContact ND2-NH2 3.43Å; N459-R476 PolarHBondContact O-NH2 2.97Å; N459-R476 VanDerWaalsContact O-NH2 3.15Å; N459-R476 PolarHBondContact OD1-NH2 3.39Å
460	F	96.3	Very high	89.8	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.031	31%	0.311	C	S	.	.			trans	-92.6	-10.3	-179.5	-67.2	-36.4	0	0	0	114.4	F160 L411 V425 V428 M429 L454 V455 F458 N462 P475	F160-F460 HydrophobicContact CE2-CE2 4.08Å; F160-F460 HydrophobicContact CE2-CZ 4.04Å; L411-F460 WeakPolarHBondContact CD2-O 3.29Å; V425-F460 HydrophobicContact CG1-CB 4.18Å; V425-F460 HydrophobicContact CG1-CD1 3.85Å; V425-F460 HydrophobicContact CG1-CE1 4.41Å; V425-F460 HydrophobicContact CG1-CG 4.07Å; V428-F460 HydrophobicContact CG1-CE1 4.07Å; V428-F460 HydrophobicContact CG1-CZ 4.49Å; M429-F460 HydrophobicContact CE-CD2 4.07Å; M429-F460 HydrophobicContact CE-CE2 3.44Å; M429-F460 VanDerWaalsContact CE-CE2 3.44Å; M429-F460 HydrophobicContact CE-CZ 3.79Å; L454-F460 HydrophobicContact CD1-CE2 4.46Å; L454-F460 HydrophobicContact CD2-CD2 4.33Å; L454-F460 HydrophobicContact CG-CD2 4.16Å; L454-F460 HydrophobicContact CG-CE2 4.47Å; V455-F460 HydrophobicContact CG1-CB 4.39Å; F458-F460 HydrophobicContact CB-CD1 4.49Å; F458-F460 HydrophobicContact CB-CD2 3.42Å; F458-F460 VanDerWaalsContact CB-CD2 3.42Å; F458-F460 HydrophobicContact CB-CE2 3.56Å; F458-F460 HydrophobicContact CB-CG 3.93Å; F458-F460 HydrophobicContact CB-CZ 4.2Å; F458-F460 HydrophobicContact CD1-CE2 4.48Å; F458-F460 HydrophobicContact CD2-CD2 4.22Å; F458-F460 AromaticContact CD2-CE2 3.8Å; F458-F460 HydrophobicContact CD2-CE2 3.8Å; F458-F460 HydrophobicContact CG-CD2 4.07Å; F458-F460 AromaticContact CG-CE2 3.72Å; F458-F460 HydrophobicContact CG-CE2 3.72Å; F458-F460 HydrophobicContact CG-CZ 4.31Å; F458-F460 PolarHBondContact O-N 3.29Å; F460-N462 PolarHBondContact O-N 2.67Å; F460-P475 HydrophobicContact CE1-CG 3.73Å; F460-P475 HydrophobicContact CE2-CG 4.39Å; F460-P475 HydrophobicContact CZ-CG 3.4Å
461	H	96.7	Very high	88.9	Confident	32 Å²	32	72.9 Å²	72.9	15%	0.148	36%	0.355	C	S	.	.	S	Bend	trans	-58.3	135.1	176.8	-163.3	-82.4	0	0	0	109.2	F407 V409 G410 Y463 D464	F407-H461 PolarHBondContact O-NE2 2.92Å; V409-H461 PolarHBondContact O-CD2 3.14Å; G410-H461 WeakPolarHBondContact CA-NE2 3.41Å; G410-H461 PolarHBondContact N-NE2 2.84Å; H461-Y463 AromaticContact CE1-CD2 3.9Å; H461-Y463 PolarHBondContact ND1-N 3.04Å; H461-Y463 PolarHBondContact O-N 3.38Å; H461-D464 HydrophobicContact CB-CB 4.11Å; H461-D464 WeakPolarHBondContact CB-OD2 3.41Å; H461-D464 PolarHBondContact N-OD2 2.98Å; H461-D464 WeakPolarHBondContact O-CB 3.19Å; H461-D464 PolarHBondContact O-N 3.07Å
462	N	94.1	Very high	88.5	Confident	85 Å²	85	75.3 Å²	75.3	46%	0.455	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.9	-175.1	-171.5	67.5	0	0	0	114.8	G410 F460	G410-N462 WeakPolarHBondContact O-CB 3.28Å; F460-N462 PolarHBondContact O-N 2.67Å
463	Y	94.4	Very high	88.1	Confident	166 Å²	166	75.2 Å²	75.2	65%	0.651	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	11.9	176.7	-52.4	-61.4	0	0	0	113	H461	H461-Y463 AromaticContact CE1-CD2 3.9Å; H461-Y463 PolarHBondContact ND1-N 3.04Å; H461-Y463 PolarHBondContact O-N 3.38Å
464	D	92.8	Very high	87.8	Confident	43 Å²	43	73.1 Å²	73.1	23%	0.23	36%	0.359	C	S	.	.			trans	-70.2	153	171.2	-90.6	-30	0	0	0	111.3	N459 H461 K472	N459-D464 WeakPolarHBondContact CA-OD2 3.47Å; N459-D464 HydrophobicContact CB-CB 4.24Å; H461-D464 HydrophobicContact CB-CB 4.11Å; H461-D464 WeakPolarHBondContact CB-OD2 3.41Å; H461-D464 PolarHBondContact N-OD2 2.98Å; H461-D464 WeakPolarHBondContact O-CB 3.19Å; H461-D464 PolarHBondContact O-N 3.07Å; D464-K472 VanDerWaalsContact CG-NZ 3.3Å; D464-K472 IonicContact OD1-NZ 2.81Å; D464-K472 PolarHBondContact OD1-NZ 3.17Å; D464-K472 VanDerWaalsContact OD1-NZ 3.08Å; D464-K472 IonicContact OD2-NZ 3.41Å; D464-K472 PolarHBondContact OD2-NZ 3.23Å
465	N	87.1	Confident	87.6	Confident	84 Å²	84	73.9 Å²	73.9	45%	0.449	36%	0.364	S	S	.	.			trans	-87.8	118.1	179.1	-167.1	-60.2	0	0	0	111.6	R467 H468 C469	N465-R467 VanDerWaalsContact C-N 3.28Å; N465-R467 PolarHBondContact O-N 3.3Å; N465-R467 WeakPolarHBondContact OD1-CA 3.33Å; N465-R467 PolarHBondContact OD1-N 3.5Å; N465-H468 PolarHBondContact OD1-N 3.02Å; N465-C469 WeakPolarHBondContact O-CB 3.3Å
466	L	84.8	Confident	87.3	Confident	88 Å²	88	77.3 Å²	77.3	46%	0.461	38%	0.376	S	S	.	.	S	Bend	trans	-73.2	-13.3	179.4	-55.1	-175.5	0	0	0	114.4	R476 R477	L466-R476 VanDerWaalsContact CD2-NH2 3.32Å; L466-R477 PolarHBondContact O-NH2 3.15Å
467	R	75.6	Confident	86.8	Confident	207 Å²	207	78.4 Å²	78.4	78%	0.781	37%	0.367	S	S	*	.	S	Bend	trans	-103.6	-35.6	-176.6	-67.6	-175.4	176.9	-175	-1.3	113.7	N465	N465-R467 VanDerWaalsContact C-N 3.28Å; N465-R467 PolarHBondContact O-N 3.3Å; N465-R467 WeakPolarHBondContact OD1-CA 3.33Å; N465-R467 PolarHBondContact OD1-N 3.5Å
468	H	71.3	Confident	85.7	Confident	140 Å²	140	78.5 Å²	78.5	65%	0.648	37%	0.366	S	S	*	.			trans	-126.3	31.6	-165.2	-56.3	-63.3	0	0	0	113.6	N465 A470	N465-H468 PolarHBondContact OD1-N 3.02Å; H468-A470 PolarHBondContact O-N 2.93Å
469	C	66.3	Low	84.2	Confident	41 Å²	41	80.3 Å²	80.3	28%	0.277	39%	0.386	S	S	.	.			trans	-91	90.7	174.8	-152.5	0	0	0	0	110.8	N465 R471 K472	N465-C469 WeakPolarHBondContact O-CB 3.3Å; C469-R471 VanDerWaalsContact C-N 3.28Å; C469-R471 PolarHBondContact O-N 3.19Å; C469-K472 VanDerWaalsContact SG-CB 3.59Å
470	A	61.3	Low	82.6	Confident	96 Å²	96	82.2 Å²	82.2	79%	0.793	41%	0.407	S	S	*	.	S	Bend	trans	-74.1	-11.2	-175.6	0	0	0	0	0	115.1	H468	H468-A470 PolarHBondContact O-N 2.93Å
471	R	79.8	Confident	80.9	Confident	245 Å²	245	85.7 Å²	85.7	93%	0.925	42%	0.423	S	S	*	.	S	Bend	trans	-119.2	-14.6	-173.4	-82.8	-174.3	163.9	-170.9	-5.5	115.7	C469	C469-R471 VanDerWaalsContact C-N 3.28Å; C469-R471 PolarHBondContact O-N 3.19Å
472	K	89.5	Confident	79.4	Confident	51 Å²	51	86.6 Å²	86.6	22%	0.222	43%	0.431	C	S	.	.	S	Bend	trans	-105.6	150.6	177.9	-59.1	-170.3	-173.2	-174.9	0	110.1	V455 L457 N459 D464 C469	V455-K472 WeakPolarHBondContact O-CE 3.23Å; V455-K472 PolarHBondContact O-NZ 3.16Å; L457-K472 CarbonylContact O-C 3.52Å; L457-K472 VanDerWaalsContact O-CA 3.29Å; L457-K472 WeakPolarHBondContact O-CA 3.4Å; L457-K472 WeakPolarHBondContact O-CB 3.46Å; N459-K472 HydrophobicContact CB-CB 4.19Å; N459-K472 HydrophobicContact CB-CD 4.37Å; D464-K472 VanDerWaalsContact CG-NZ 3.3Å; D464-K472 IonicContact OD1-NZ 2.81Å; D464-K472 PolarHBondContact OD1-NZ 3.17Å; D464-K472 VanDerWaalsContact OD1-NZ 3.08Å; D464-K472 IonicContact OD2-NZ 3.41Å; D464-K472 PolarHBondContact OD2-NZ 3.23Å; C469-K472 VanDerWaalsContact SG-CB 3.59Å
473	L	89.6	Confident	78.2	Confident	71 Å²	71	90.2 Å²	90.2	37%	0.372	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-79.6	144.8	174.4	-58.2	177.4	0	0	0	110.3	L457 F458 N459	L457-L473 HydrophobicContact CD1-CD1 3.88Å; L457-L473 HydrophobicContact CD1-CG 4.29Å; L457-L473 HydrophobicContact CG-CD1 4.17Å; L457-L473 PolarHBondContact O-N 3.26Å; F458-L473 VanDerWaalsContact CA-O 3.31Å; F458-L473 WeakPolarHBondContact CA-O 3.31Å; F458-L473 HydrophobicContact CD1-CB 3.68Å; F458-L473 HydrophobicContact CE1-CB 3.88Å; F458-L473 HydrophobicContact CE1-CD1 4.16Å; N459-L473 PolarHBondContact N-O 3.08Å; N459-L473 PolarHBondContact OD1-O 3.1Å
474	D	91.3	Very high	77.2	Confident	28 Å²	28	87.3 Å²	87.3	15%	0.15	43%	0.434	C	S	.	.			trans	-120.4	95.5	171.5	-166.7	-15.1	0	0	0	109.7	N459 R476 R477	N459-D474 WeakPolarHBondContact ND2-CB 3.48Å; N459-D474 PolarHBondContact ND2-OD2 3.3Å; N459-D474 VanDerWaalsContact OD1-CA 3.31Å; N459-D474 WeakPolarHBondContact OD1-CA 3.42Å; N459-D474 VanDerWaalsContact OD1-CB 3.3Å; N459-D474 WeakPolarHBondContact OD1-CB 3.41Å; N459-D474 PolarHBondContact OD1-OD1 3.32Å; D474-R476 PolarHBondContact O-N 2.67Å; D474-R476 WeakPolarHBondContact OD1-CB 3.49Å; D474-R476 IonicContact OD1-CZ 2.65Å; D474-R476 PolarHBondContact OD1-N 3.24Å; D474-R476 IonicContact OD1-NE 3.08Å; D474-R476 PolarHBondContact OD1-NE 2.67Å; D474-R476 IonicContact OD1-NH2 3.34Å; D474-R476 PolarHBondContact OD1-NH2 3.44Å; D474-R476 IonicContact OD2-CZ 3.94Å; D474-R476 IonicContact OD2-NE 3.89Å; D474-R476 IonicContact OD2-NH2 3.93Å; D474-R476 PolarHBondContact OD2-NH2 3.1Å; D474-R477 PolarHBondContact O-N 2.96Å
475	P	92.1	Very high	76.5	Confident	17 Å²	17	90.1 Å²	90.1	11%	0.11	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.2	-173.6	30.6	-32.9	0	0	0	112.8	I154 P155 F160 F458 F460 R477	I154-P475 WeakPolarHBondContact CA-O 3.3Å; I154-P475 HydrophobicContact CG1-CB 4.42Å; I154-P475 HydrophobicContact CG2-CB 4.23Å; P155-P475 VanDerWaalsContact CD-O 3.27Å; P155-P475 WeakPolarHBondContact CD-O 3.19Å; F160-P475 HydrophobicContact CB-CB 4.41Å; F160-P475 HydrophobicContact CD2-CB 3.77Å; F160-P475 HydrophobicContact CD2-CG 3.94Å; F160-P475 HydrophobicContact CE2-CB 4.46Å; F160-P475 HydrophobicContact CE2-CG 4.16Å; F160-P475 HydrophobicContact CG-CB 4.3Å; F458-P475 HydrophobicContact CD1-CG 3.98Å; F458-P475 HydrophobicContact CE1-CB 4.42Å; F458-P475 HydrophobicContact CE1-CG 4.18Å; F460-P475 HydrophobicContact CE1-CG 3.73Å; F460-P475 HydrophobicContact CE2-CG 4.39Å; F460-P475 HydrophobicContact CZ-CG 3.4Å; P475-R477 PolarHBondContact O-N 3.38Å
476	R	90.8	Very high	76.1	Confident	75 Å²	75	88 Å²	88	28%	0.283	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	1.6	170.6	-62.6	164.2	-71.8	-146	-14.1	113.5	V153 V428 N459 L466 D474	V153-R476 HydrophobicContact CG2-CG 4.25Å; V153-R476 VanDerWaalsContact O-CA 3.29Å; V153-R476 WeakPolarHBondContact O-CA 3.14Å; V153-R476 WeakPolarHBondContact O-CG 3.36Å; V428-R476 HydrophobicContact CG2-CG 4.42Å; N459-R476 VanDerWaalsContact CG-NH2 3.3Å; N459-R476 PolarHBondContact ND2-NH2 3.43Å; N459-R476 PolarHBondContact O-NH2 2.97Å; N459-R476 VanDerWaalsContact O-NH2 3.15Å; N459-R476 PolarHBondContact OD1-NH2 3.39Å; L466-R476 VanDerWaalsContact CD2-NH2 3.32Å; D474-R476 PolarHBondContact O-N 2.67Å; D474-R476 WeakPolarHBondContact OD1-CB 3.49Å; D474-R476 IonicContact OD1-CZ 2.65Å; D474-R476 PolarHBondContact OD1-N 3.24Å; D474-R476 IonicContact OD1-NE 3.08Å; D474-R476 PolarHBondContact OD1-NE 2.67Å; D474-R476 IonicContact OD1-NH2 3.34Å; D474-R476 PolarHBondContact OD1-NH2 3.44Å; D474-R476 IonicContact OD2-CZ 3.94Å; D474-R476 IonicContact OD2-NE 3.89Å; D474-R476 IonicContact OD2-NH2 3.93Å; D474-R476 PolarHBondContact OD2-NH2 3.1Å
477	R	84.2	Confident	76.1	Confident	110 Å²	110	84 Å²	84	42%	0.415	41%	0.414	S	S	.	.	S	Bend	trans	-129	143.7	178.5	-55.4	-175.3	177.6	164.8	6	109.7	L466 D474 P475 G479 V482	L466-R477 PolarHBondContact O-NH2 3.15Å; D474-R477 PolarHBondContact O-N 2.96Å; P475-R477 PolarHBondContact O-N 3.38Å; R477-G479 PolarHBondContact O-N 3.01Å; R477-V482 HydrophobicContact CB-CG2 3.47Å; R477-V482 VanDerWaalsContact CB-CG2 3.47Å; R477-V482 HydrophobicContact CG-CG2 4.18Å
478	E	73.1	Confident	76.6	Confident	54 Å²	54	78.3 Å²	78.3	25%	0.252	40%	0.402	S	S	.	.			trans	-64.2	120.9	173.6	-69.1	-178.3	-164.7	0	0	110.3	K150 P155 D156 G480 E481 V482	K150-E478 WeakPolarHBondContact CB-OE1 3.34Å; K150-E478 HydrophobicContact CD-CG 4.33Å; P155-E478 HydrophobicContact CB-CG 3.55Å; P155-E478 HydrophobicContact CG-CG 4.09Å; D156-E478 VanDerWaalsContact OD2-CA 3.25Å; D156-E478 WeakPolarHBondContact OD2-CA 3.45Å; E478-G480 PolarHBondContact O-N 2.96Å; E478-E481 HydrophobicContact CB-CB 3.57Å; E478-E481 PolarHBondContact O-N 3.08Å; E478-E481 VanDerWaalsContact O-N 3.17Å; E478-V482 WeakPolarHBondContact O-CG2 3.34Å; E478-V482 PolarHBondContact O-N 3.01Å
479	G	62.8	Low	77.4	Confident	41 Å²	41	76 Å²	76	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-45.9	-168.4	0	0	0	0	0	112.8	D156 R477	D156-G479 PolarHBondContact OD2-N 3.47Å; R477-G479 PolarHBondContact O-N 3.01Å
480	G	61.5	Low	78.5	Confident	46 Å²	46	74 Å²	74	47%	0.474	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-36.2	175.1	0	0	0	0	0	113.4	E478 R483 N484	E478-G480 PolarHBondContact O-N 2.96Å; G480-R483 PolarHBondContact O-N 3.5Å; G480-N484 WeakPolarHBondContact O-CB 3.32Å; G480-N484 PolarHBondContact O-N 3.39Å; G480-N484 PolarHBondContact O-ND2 2.96Å
481	E	61.3	Low	79.9	Confident	80 Å²	80	70.1 Å²	70.1	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-70.4	-37.1	-176.7	-151.8	-151.6	-168.6	0	0	111.8	E478 K485	E478-E481 HydrophobicContact CB-CB 3.57Å; E478-E481 PolarHBondContact O-N 3.08Å; E478-E481 VanDerWaalsContact O-N 3.17Å; E481-K485 HydrophobicContact CG-CD 4.19Å; E481-K485 WeakPolarHBondContact O-CB 3.44Å; E481-K485 VanDerWaalsContact O-CG 3.24Å; E481-K485 WeakPolarHBondContact O-CG 3.28Å; E481-K485 PolarHBondContact O-N 3.01Å; E481-K485 WeakPolarHBondContact OE1-CE 3.44Å; E481-K485 IonicContact OE1-NZ 3.75Å; E481-K485 PolarHBondContact OE1-NZ 3.46Å; E481-K485 WeakPolarHBondContact OE2-CE 3.26Å; E481-K485 IonicContact OE2-NZ 2.7Å; E481-K485 PolarHBondContact OE2-NZ 3.4Å
482	V	64.6	Low	80.5	Confident	51 Å²	51	64.6 Å²	64.6	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-45.6	174.6	174.4	0	0	0	0	111.3	R477 E478 T486	R477-V482 HydrophobicContact CB-CG2 3.47Å; R477-V482 VanDerWaalsContact CB-CG2 3.47Å; R477-V482 HydrophobicContact CG-CG2 4.18Å; E478-V482 WeakPolarHBondContact O-CG2 3.34Å; E478-V482 PolarHBondContact O-N 3.01Å; V482-T486 VanDerWaalsContact O-CB 3.28Å; V482-T486 WeakPolarHBondContact O-CB 3.32Å; V482-T486 PolarHBondContact O-N 3.12Å; V482-T486 PolarHBondContact O-OG1 2.97Å
483	R	68.1	Low	80.7	Confident	160 Å²	160	62.5 Å²	62.5	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-51.4	177.3	-170.7	177.8	-176.2	-176.7	0.1	110.3	G480 K485 T486 V487	G480-R483 PolarHBondContact O-N 3.5Å; R483-K485 PolarHBondContact O-N 3.38Å; R483-T486 WeakPolarHBondContact O-CB 3.22Å; R483-T486 PolarHBondContact O-N 3.14Å; R483-T486 VanDerWaalsContact O-N 3.12Å; R483-V487 WeakPolarHBondContact O-CG2 3.3Å; R483-V487 PolarHBondContact O-N 3.41Å
484	N	73.3	Confident	80.8	Confident	105 Å²	105	59.1 Å²	59.1	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-43.2	-179.1	-68.5	-11.5	0	0	0	112.3	G480 T486 V487 V488	G480-N484 WeakPolarHBondContact O-CB 3.32Å; G480-N484 PolarHBondContact O-N 3.39Å; G480-N484 PolarHBondContact O-ND2 2.96Å; N484-T486 VanDerWaalsContact C-N 3.3Å; N484-T486 PolarHBondContact O-N 3.1Å; N484-V487 PolarHBondContact O-N 2.93Å; N484-V488 WeakPolarHBondContact O-CB 3.37Å; N484-V488 VanDerWaalsContact O-CG2 3.25Å; N484-V488 WeakPolarHBondContact O-CG2 3.41Å; N484-V488 PolarHBondContact O-N 2.66Å
485	K	77.6	Confident	80.9	Confident	103 Å²	103	63.4 Å²	63.4	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-39.1	173.4	-78.7	172.5	173.8	168.8	0	112.2	E481 R483 N489	E481-K485 HydrophobicContact CG-CD 4.19Å; E481-K485 WeakPolarHBondContact O-CB 3.44Å; E481-K485 VanDerWaalsContact O-CG 3.24Å; E481-K485 WeakPolarHBondContact O-CG 3.28Å; E481-K485 PolarHBondContact O-N 3.01Å; E481-K485 WeakPolarHBondContact OE1-CE 3.44Å; E481-K485 IonicContact OE1-NZ 3.75Å; E481-K485 PolarHBondContact OE1-NZ 3.46Å; E481-K485 WeakPolarHBondContact OE2-CE 3.26Å; E481-K485 IonicContact OE2-NZ 2.7Å; E481-K485 PolarHBondContact OE2-NZ 3.4Å; R483-K485 PolarHBondContact O-N 3.38Å; K485-N489 VanDerWaalsContact O-CB 3.32Å; K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 3.43Å; K485-N489 PolarHBondContact O-ND2 3.43Å; K485-N489 VanDerWaalsContact O-ND2 3.11Å
486	T	79.9	Confident	81	Confident	40 Å²	40	65.5 Å²	65.5	25%	0.245	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-45.7	179.3	-57.7	0	0	0	0	111	V482 R483 N484 N489 L490 M510	V482-T486 VanDerWaalsContact O-CB 3.28Å; V482-T486 WeakPolarHBondContact O-CB 3.32Å; V482-T486 PolarHBondContact O-N 3.12Å; V482-T486 PolarHBondContact O-OG1 2.97Å; R483-T486 WeakPolarHBondContact O-CB 3.22Å; R483-T486 PolarHBondContact O-N 3.14Å; R483-T486 VanDerWaalsContact O-N 3.12Å; N484-T486 VanDerWaalsContact C-N 3.3Å; N484-T486 PolarHBondContact O-N 3.1Å; T486-N489 PolarHBondContact O-N 3.39Å; T486-L490 WeakPolarHBondContact O-CB 3.36Å; T486-L490 PolarHBondContact O-N 2.77Å; T486-M510 HydrophobicContact CG2-CE 3.34Å; T486-M510 HydrophobicContact CG2-CG 4.31Å; T486-M510 HydrophobicContact CG2-SD 3.49Å; T486-M510 WeakPolarHBondContact CG2-SD 3.34Å
487	V	84.4	Confident	81	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-48.7	173	173.9	0	0	0	0	111.4	R483 N484 N489 L490 L491 Q514 D516	R483-V487 WeakPolarHBondContact O-CG2 3.3Å; R483-V487 PolarHBondContact O-N 3.41Å; N484-V487 PolarHBondContact O-N 2.93Å; V487-N489 VanDerWaalsContact C-N 3.32Å; V487-N489 PolarHBondContact O-N 2.96Å; V487-L490 WeakPolarHBondContact O-CB 3.33Å; V487-L490 PolarHBondContact O-N 2.94Å; V487-L490 VanDerWaalsContact O-N 3.14Å; V487-L491 HydrophobicContact CG1-CD1 4.09Å; V487-L491 HydrophobicContact CG1-CG 4.25Å; V487-L491 WeakPolarHBondContact O-CG 3.47Å; V487-L491 PolarHBondContact O-N 3.29Å; V487-Q514 HydrophobicContact CG2-CB 3.67Å; V487-Q514 HydrophobicContact CG2-CG 4.45Å; V487-D516 HydrophobicContact CG1-CB 4.29Å
488	V	86.3	Confident	81.4	Confident	87 Å²	87	60.8 Å²	60.8	53%	0.527	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-41.4	178.5	168.7	0	0	0	0	111.3	N484 L491 F492	N484-V488 WeakPolarHBondContact O-CB 3.37Å; N484-V488 VanDerWaalsContact O-CG2 3.25Å; N484-V488 WeakPolarHBondContact O-CG2 3.41Å; N484-V488 PolarHBondContact O-N 2.66Å; V488-L491 PolarHBondContact O-N 3.29Å; V488-F492 WeakPolarHBondContact O-CB 3.41Å; V488-F492 PolarHBondContact O-N 3.02Å
489	N	88.1	Confident	82.3	Confident	90 Å²	90	59.3 Å²	59.3	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-66.2	-37.1	175.9	-70.7	-25	0	0	0	112.7	K485 T486 V487 A493 F505	K485-N489 VanDerWaalsContact O-CB 3.32Å; K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 3.43Å; K485-N489 PolarHBondContact O-ND2 3.43Å; K485-N489 VanDerWaalsContact O-ND2 3.11Å; T486-N489 PolarHBondContact O-N 3.39Å; V487-N489 VanDerWaalsContact C-N 3.32Å; V487-N489 PolarHBondContact O-N 2.96Å; N489-A493 WeakPolarHBondContact O-CB 3.25Å; N489-A493 PolarHBondContact O-N 3.16Å; N489-A493 VanDerWaalsContact O-N 3.09Å; N489-F505 HydrophobicContact CB-CZ 4.15Å
490	L	89.9	Confident	83.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-49	174.9	176.1	67.9	0	0	0	111	T486 V487 A493 A494 L502 F505 M510 M512 A522	T486-L490 WeakPolarHBondContact O-CB 3.36Å; T486-L490 PolarHBondContact O-N 2.77Å; V487-L490 WeakPolarHBondContact O-CB 3.33Å; V487-L490 PolarHBondContact O-N 2.94Å; V487-L490 VanDerWaalsContact O-N 3.14Å; L490-A493 PolarHBondContact O-N 3.36Å; L490-A494 PolarHBondContact O-N 3.16Å; L490-A494 VanDerWaalsContact O-N 3.15Å; L490-L502 HydrophobicContact CD1-CD2 3.62Å; L490-F505 HydrophobicContact CD1-CB 4.4Å; L490-F505 HydrophobicContact CD1-CD2 4.01Å; L490-M510 HydrophobicContact CB-SD 4.48Å; L490-M512 HydrophobicContact CD1-CE 3.65Å; L490-M512 HydrophobicContact CD1-SD 3.72Å; L490-A522 HydrophobicContact CG-CB 4.29Å
491	L	90.9	Very high	85	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-68.6	-36.5	178.5	-62.7	-172.4	0	0	0	112.5	V487 V488 A493 A494 Y495 D516 T521 A522 V525	V487-L491 HydrophobicContact CG1-CD1 4.09Å; V487-L491 HydrophobicContact CG1-CG 4.25Å; V487-L491 WeakPolarHBondContact O-CG 3.47Å; V487-L491 PolarHBondContact O-N 3.29Å; V488-L491 PolarHBondContact O-N 3.29Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 3.23Å; L491-A494 WeakPolarHBondContact O-CB 3.27Å; L491-A494 PolarHBondContact O-N 2.92Å; L491-A494 VanDerWaalsContact O-N 3.17Å; L491-Y495 WeakPolarHBondContact O-CB 3.37Å; L491-Y495 PolarHBondContact O-N 2.95Å; L491-D516 HydrophobicContact CD1-CB 3.54Å; L491-T521 VanDerWaalsContact CD2-C 3.42Å; L491-A522 HydrophobicContact CD2-CB 3.99Å; L491-V525 HydrophobicContact CB-CG2 4.4Å; L491-V525 HydrophobicContact CD1-CG2 4.38Å; L491-V525 HydrophobicContact CD2-CG2 4.08Å
492	F	92.3	Very high	86.4	Confident	130 Å²	130	54.9 Å²	54.9	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-66.2	-34.3	176	-175.6	-98.5	0	0	0	112.1	V488 Y495 S496	V488-F492 WeakPolarHBondContact O-CB 3.41Å; V488-F492 PolarHBondContact O-N 3.02Å; F492-Y495 HydrophobicContact CD2-CD1 4.22Å; F492-Y495 HydrophobicContact CE2-CD1 4.16Å; F492-S496 WeakPolarHBondContact CE1-OG 3.28Å; F492-S496 VanDerWaalsContact O-CB 3.3Å; F492-S496 WeakPolarHBondContact O-CB 3.48Å; F492-S496 PolarHBondContact O-N 3Å; F492-S496 PolarHBondContact O-OG 3.42Å
493	A	92.5	Very high	87.6	Confident	6 Å²	6	58.8 Å²	58.8	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-38.7	171	0	0	0	0	0	112	N489 L490 L491 G497 D498 A501 L502 F505	N489-A493 WeakPolarHBondContact O-CB 3.25Å; N489-A493 PolarHBondContact O-N 3.16Å; N489-A493 VanDerWaalsContact O-N 3.09Å; L490-A493 PolarHBondContact O-N 3.36Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 3.23Å; A493-G497 PolarHBondContact O-N 2.89Å; A493-D498 PolarHBondContact O-N 2.71Å; A493-A501 HydrophobicContact CB-CB 3.69Å; A493-L502 HydrophobicContact CB-CD2 3.75Å; A493-L502 HydrophobicContact CB-CG 4.07Å; A493-F505 HydrophobicContact CB-CE2 4.17Å
494	A	92.8	Very high	88.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-44.7	173.4	0	0	0	0	0	112.3	L490 L491 S496 G497 A522 V525 A526 H531 V534	L490-A494 PolarHBondContact O-N 3.16Å; L490-A494 VanDerWaalsContact O-N 3.15Å; L491-A494 WeakPolarHBondContact O-CB 3.27Å; L491-A494 PolarHBondContact O-N 2.92Å; L491-A494 VanDerWaalsContact O-N 3.17Å; A494-S496 PolarHBondContact O-N 3.44Å; A494-G497 PolarHBondContact O-N 3.41Å; A494-A522 HydrophobicContact CB-CB 4.22Å; A494-V525 HydrophobicContact CB-CB 4.47Å; A494-V525 HydrophobicContact CB-CG1 4.41Å; A494-A526 HydrophobicContact CB-CB 4.39Å; A494-H531 PolarHBondContact O-CD2 3.16Å; A494-V534 HydrophobicContact CB-CG1 4.19Å
495	Y	93.4	Very high	89.1	Confident	118 Å²	118	55.3 Å²	55.3	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-40.9	174.5	171.6	-100.3	0	0	0	113	L491 F492 G497 E529 H531	L491-Y495 WeakPolarHBondContact O-CB 3.37Å; L491-Y495 PolarHBondContact O-N 2.95Å; F492-Y495 HydrophobicContact CD2-CD1 4.22Å; F492-Y495 HydrophobicContact CE2-CD1 4.16Å; Y495-G497 VanDerWaalsContact C-N 3.31Å; Y495-G497 PolarHBondContact O-N 2.84Å; Y495-E529 VanDerWaalsContact CD2-CD 3.47Å; Y495-E529 HydrophobicContact CD2-CG 3.71Å; Y495-E529 WeakPolarHBondContact CD2-OE1 3.49Å; Y495-E529 VanDerWaalsContact CE2-CD 3.42Å; Y495-E529 HydrophobicContact CE2-CG 4.19Å; Y495-E529 VanDerWaalsContact CE2-OE1 3.22Å; Y495-E529 WeakPolarHBondContact CE2-OE1 3.34Å; Y495-H531 PolarHBondContact O-CD2 3.46Å; Y495-H531 PolarHBondContact O-NE2 3.08Å
496	S	92.6	Very high	89.5	Confident	61 Å²	61	52 Å²	52	43%	0.427	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.1	-178.1	-53	0	0	0	0	114	F492 A494 D498	F492-S496 WeakPolarHBondContact CE1-OG 3.28Å; F492-S496 VanDerWaalsContact O-CB 3.3Å; F492-S496 WeakPolarHBondContact O-CB 3.48Å; F492-S496 PolarHBondContact O-N 3Å; F492-S496 PolarHBondContact O-OG 3.42Å; A494-S496 PolarHBondContact O-N 3.44Å; S496-D498 VanDerWaalsContact C-N 3.29Å; S496-D498 PolarHBondContact O-N 3.17Å
497	G	92	Very high	89.8	Confident	25 Å²	25	57.5 Å²	57.5	26%	0.258	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	13.6	-173.3	0	0	0	0	0	115.3	A493 A494 Y495 V499	A493-G497 PolarHBondContact O-N 2.89Å; A494-G497 PolarHBondContact O-N 3.41Å; Y495-G497 VanDerWaalsContact C-N 3.31Å; Y495-G497 PolarHBondContact O-N 2.84Å; G497-V499 VanDerWaalsContact C-N 3.34Å; G497-V499 PolarHBondContact O-N 2.98Å
498	D	92.8	Very high	89.6	Confident	62 Å²	62	60.3 Å²	60.3	33%	0.332	32%	0.316	S	S	.	.			trans	-79	79.7	-178	-173.5	4.4	0	0	0	111.8	A493 S496 S500 A501 L502 R504	A493-D498 PolarHBondContact O-N 2.71Å; S496-D498 VanDerWaalsContact C-N 3.29Å; S496-D498 PolarHBondContact O-N 3.17Å; D498-S500 PolarHBondContact O-N 2.78Å; D498-S500 VanDerWaalsContact O-N 3.14Å; D498-S500 VanDerWaalsContact OD1-CA 3.27Å; D498-S500 WeakPolarHBondContact OD1-CA 3.24Å; D498-S500 WeakPolarHBondContact OD1-CB 3.47Å; D498-S500 PolarHBondContact OD1-N 2.65Å; D498-A501 HydrophobicContact CB-CB 4.05Å; D498-A501 VanDerWaalsContact CG-N 3.29Å; D498-A501 PolarHBondContact O-N 2.81Å; D498-A501 VanDerWaalsContact O-N 3.09Å; D498-A501 PolarHBondContact OD1-N 2.8Å; D498-A501 WeakPolarHBondContact OD2-CB 3.33Å; D498-A501 PolarHBondContact OD2-N 2.86Å; D498-L502 PolarHBondContact O-N 3.3Å; D498-L502 VanDerWaalsContact O-N 3.14Å; D498-R504 IonicContact OD2-NH2 3.44Å; D498-R504 PolarHBondContact OD2-NH2 2.93Å
499	V	92.3	Very high	89.2	Confident	23 Å²	23	60.3 Å²	60.3	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-27.2	170.5	-172.9	0	0	0	0	111.9	G497 L502 R503 E533 V534 F537	G497-V499 VanDerWaalsContact C-N 3.34Å; G497-V499 PolarHBondContact O-N 2.98Å; V499-L502 PolarHBondContact O-N 3.07Å; V499-R503 HydrophobicContact CG1-CG 4.35Å; V499-R503 WeakPolarHBondContact O-CB 3.34Å; V499-R503 VanDerWaalsContact O-CG 3.22Å; V499-R503 WeakPolarHBondContact O-CG 3.36Å; V499-R503 PolarHBondContact O-N 3.31Å; V499-E533 HydrophobicContact CG2-CB 3.95Å; V499-V534 HydrophobicContact CG2-CG2 3.73Å; V499-F537 HydrophobicContact CG1-CB 4.2Å; V499-F537 HydrophobicContact CG1-CG 4.23Å
500	S	91.6	Very high	88.9	Confident	65 Å²	65	57.8 Å²	57.8	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-73.5	-35.5	177.9	-57.5	0	0	0	0	112	D498 R504	D498-S500 PolarHBondContact O-N 2.78Å; D498-S500 VanDerWaalsContact O-N 3.14Å; D498-S500 VanDerWaalsContact OD1-CA 3.27Å; D498-S500 WeakPolarHBondContact OD1-CA 3.24Å; D498-S500 WeakPolarHBondContact OD1-CB 3.47Å; D498-S500 PolarHBondContact OD1-N 2.65Å; S500-R504 VanDerWaalsContact O-CG 3.31Å; S500-R504 WeakPolarHBondContact O-CG 3.25Å; S500-R504 PolarHBondContact O-N 2.76Å; S500-R504 VanDerWaalsContact O-N 3.12Å; S500-R504 PolarHBondContact O-NH1 2.74Å
501	A	88.6	Confident	88.6	Confident	8 Å²	8	62 Å²	62	7%	0.066	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-47	169.2	0	0	0	0	0	111.6	A493 D498 R503 R504 F505	A493-A501 HydrophobicContact CB-CB 3.69Å; D498-A501 HydrophobicContact CB-CB 4.05Å; D498-A501 VanDerWaalsContact CG-N 3.29Å; D498-A501 PolarHBondContact O-N 2.81Å; D498-A501 VanDerWaalsContact O-N 3.09Å; D498-A501 PolarHBondContact OD1-N 2.8Å; D498-A501 WeakPolarHBondContact OD2-CB 3.33Å; D498-A501 PolarHBondContact OD2-N 2.86Å; A501-R503 VanDerWaalsContact C-N 3.34Å; A501-R503 PolarHBondContact O-N 3.37Å; A501-R504 WeakPolarHBondContact O-CA 3.46Å; A501-R504 WeakPolarHBondContact O-CB 3.48Å; A501-R504 PolarHBondContact O-N 3.44Å; A501-F505 HydrophobicContact CB-CE2 4.15Å; A501-F505 VanDerWaalsContact O-CD2 3.29Å; A501-F505 WeakPolarHBondContact O-CD2 3.21Å; A501-F505 WeakPolarHBondContact O-CG 3.5Å; A501-F505 PolarHBondContact O-N 3.41Å
502	L	89.7	Confident	88.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-41.5	178.7	-61.9	177.7	0	0	0	112.1	L490 A493 D498 V499 R504 F505 A506 M512 V534 F537	L490-L502 HydrophobicContact CD1-CD2 3.62Å; A493-L502 HydrophobicContact CB-CD2 3.75Å; A493-L502 HydrophobicContact CB-CG 4.07Å; D498-L502 PolarHBondContact O-N 3.3Å; D498-L502 VanDerWaalsContact O-N 3.14Å; V499-L502 PolarHBondContact O-N 3.07Å; L502-R504 PolarHBondContact O-N 3.46Å; L502-F505 HydrophobicContact CD2-CD2 4.47Å; L502-F505 PolarHBondContact O-N 2.9Å; L502-A506 PolarHBondContact O-N 2.96Å; L502-M512 HydrophobicContact CB-CE 4.45Å; L502-M512 HydrophobicContact CD2-CE 4.31Å; L502-V534 HydrophobicContact CD1-CB 4.17Å; L502-V534 HydrophobicContact CD1-CG1 3.37Å; L502-V534 HydrophobicContact CD1-CG2 3.9Å; L502-F537 HydrophobicContact CB-CD1 3.84Å; L502-F537 HydrophobicContact CB-CE1 3.67Å; L502-F537 HydrophobicContact CD1-CD1 4.49Å
503	R	90.4	Very high	88.2	Confident	134 Å²	134	59.7 Å²	59.7	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-42.4	171.2	-75.8	171.2	-175	-178.4	6.8	112.3	V499 A501 L507 F537	V499-R503 HydrophobicContact CG1-CG 4.35Å; V499-R503 WeakPolarHBondContact O-CB 3.34Å; V499-R503 VanDerWaalsContact O-CG 3.22Å; V499-R503 WeakPolarHBondContact O-CG 3.36Å; V499-R503 PolarHBondContact O-N 3.31Å; A501-R503 VanDerWaalsContact C-N 3.34Å; A501-R503 PolarHBondContact O-N 3.37Å; R503-L507 VanDerWaalsContact O-CB 3.29Å; R503-L507 WeakPolarHBondContact O-CB 3.42Å; R503-L507 WeakPolarHBondContact O-CD1 3.47Å; R503-L507 WeakPolarHBondContact O-CG 2.99Å; R503-L507 PolarHBondContact O-N 3.27Å; R503-F537 HydrophobicContact CB-CE2 4.49Å; R503-F537 HydrophobicContact CB-CZ 4.34Å; R503-F537 HydrophobicContact CG-CD2 4.02Å; R503-F537 HydrophobicContact CG-CE1 4.46Å; R503-F537 HydrophobicContact CG-CE2 3.48Å; R503-F537 VanDerWaalsContact CG-CE2 3.48Å; R503-F537 HydrophobicContact CG-CZ 3.74Å
504	R	86.6	Confident	87.9	Confident	144 Å²	144	60.7 Å²	60.7	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-39.6	175.2	-71.6	-179.3	-59.1	-98.7	5.3	112.1	D498 S500 A501 L502 S508	D498-R504 IonicContact OD2-NH2 3.44Å; D498-R504 PolarHBondContact OD2-NH2 2.93Å; S500-R504 VanDerWaalsContact O-CG 3.31Å; S500-R504 WeakPolarHBondContact O-CG 3.25Å; S500-R504 PolarHBondContact O-N 2.76Å; S500-R504 VanDerWaalsContact O-N 3.12Å; S500-R504 PolarHBondContact O-NH1 2.74Å; A501-R504 WeakPolarHBondContact O-CA 3.46Å; A501-R504 WeakPolarHBondContact O-CB 3.48Å; A501-R504 PolarHBondContact O-N 3.44Å; L502-R504 PolarHBondContact O-N 3.46Å; R504-S508 PolarHBondContact O-N 3.47Å; R504-S508 VanDerWaalsContact O-N 3.14Å
505	F	86.7	Confident	87.8	Confident	47 Å²	47	65 Å²	65	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-48.3	178.1	-64.9	-41.6	0	0	0	112.3	N489 L490 A493 A501 L502 L507 S508 M510 M512	N489-F505 HydrophobicContact CB-CZ 4.15Å; L490-F505 HydrophobicContact CD1-CB 4.4Å; L490-F505 HydrophobicContact CD1-CD2 4.01Å; A493-F505 HydrophobicContact CB-CE2 4.17Å; A501-F505 HydrophobicContact CB-CE2 4.15Å; A501-F505 VanDerWaalsContact O-CD2 3.29Å; A501-F505 WeakPolarHBondContact O-CD2 3.21Å; A501-F505 WeakPolarHBondContact O-CG 3.5Å; A501-F505 PolarHBondContact O-N 3.41Å; L502-F505 HydrophobicContact CD2-CD2 4.47Å; L502-F505 PolarHBondContact O-N 2.9Å; F505-L507 PolarHBondContact O-N 2.88Å; F505-S508 WeakPolarHBondContact O-CA 3.42Å; F505-S508 WeakPolarHBondContact O-CB 3.43Å; F505-S508 PolarHBondContact O-N 3.19Å; F505-S508 PolarHBondContact O-OG 3.35Å; F505-M510 HydrophobicContact CB-CB 4.37Å; F505-M510 HydrophobicContact CB-CE 4.01Å; F505-M510 HydrophobicContact CB-SD 3.85Å; F505-M510 HydrophobicContact CD1-CE 3.42Å; F505-M510 VanDerWaalsContact CD1-CE 3.42Å; F505-M510 HydrophobicContact CD1-SD 4.13Å; F505-M510 HydrophobicContact CE1-CE 4.1Å; F505-M510 HydrophobicContact CG-CE 3.9Å; F505-M510 HydrophobicContact CG-SD 4Å; F505-M510 VanDerWaalsContact O-CB 3.29Å; F505-M510 WeakPolarHBondContact O-CB 3.23Å; F505-M510 PolarHBondContact O-N 3.19Å; F505-M512 HydrophobicContact CB-SD 4.4Å
506	A	85.9	Confident	87.5	Confident	34 Å²	34	60.6 Å²	60.6	28%	0.281	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-43.1	173.6	0	0	0	0	0	112.5	L502 S508 A509 M512 F537	L502-A506 PolarHBondContact O-N 2.96Å; A506-S508 PolarHBondContact O-N 2.91Å; A506-A509 PolarHBondContact O-N 3.5Å; A506-M512 HydrophobicContact CB-SD 4.25Å; A506-F537 HydrophobicContact CB-CE1 4.36Å; A506-F537 HydrophobicContact CB-CZ 3.88Å
507	L	85.9	Confident	87.1	Confident	156 Å²	156	65.7 Å²	65.7	82%	0.817	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-22.6	174	-75	170.2	0	0	0	113.5	R503 F505 A509	R503-L507 VanDerWaalsContact O-CB 3.29Å; R503-L507 WeakPolarHBondContact O-CB 3.42Å; R503-L507 WeakPolarHBondContact O-CD1 3.47Å; R503-L507 WeakPolarHBondContact O-CG 2.99Å; R503-L507 PolarHBondContact O-N 3.27Å; F505-L507 PolarHBondContact O-N 2.88Å; L507-A509 PolarHBondContact O-N 3.34Å
508	S	79.8	Confident	87	Confident	62 Å²	62	64.9 Å²	64.9	43%	0.434	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.6	174.5	72.2	0	0	0	0	114.3	R504 F505 A506 M510	R504-S508 PolarHBondContact O-N 3.47Å; R504-S508 VanDerWaalsContact O-N 3.14Å; F505-S508 WeakPolarHBondContact O-CA 3.42Å; F505-S508 WeakPolarHBondContact O-CB 3.43Å; F505-S508 PolarHBondContact O-N 3.19Å; F505-S508 PolarHBondContact O-OG 3.35Å; A506-S508 PolarHBondContact O-N 2.91Å; S508-M510 PolarHBondContact O-N 3.08Å
509	A	78.7	Confident	86.8	Confident	88 Å²	88	64.2 Å²	64.2	73%	0.727	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	35.2	-173.9	0	0	0	0	0	113.3	A506 L507	A506-A509 PolarHBondContact O-N 3.5Å; L507-A509 PolarHBondContact O-N 3.34Å
510	M	80.8	Confident	86.7	Confident	37 Å²	37	66.3 Å²	66.3	18%	0.182	34%	0.337	C	S	.	.			trans	-72.9	134.6	170.6	-170.9	175.3	-60.4	0	0	109.8	T486 L490 F505 S508 M512	T486-M510 HydrophobicContact CG2-CE 3.34Å; T486-M510 HydrophobicContact CG2-CG 4.31Å; T486-M510 HydrophobicContact CG2-SD 3.49Å; T486-M510 WeakPolarHBondContact CG2-SD 3.34Å; L490-M510 HydrophobicContact CB-SD 4.48Å; F505-M510 HydrophobicContact CB-CB 4.37Å; F505-M510 HydrophobicContact CB-CE 4.01Å; F505-M510 HydrophobicContact CB-SD 3.85Å; F505-M510 HydrophobicContact CD1-CE 3.42Å; F505-M510 VanDerWaalsContact CD1-CE 3.42Å; F505-M510 HydrophobicContact CD1-SD 4.13Å; F505-M510 HydrophobicContact CE1-CE 4.1Å; F505-M510 HydrophobicContact CG-CE 3.9Å; F505-M510 HydrophobicContact CG-SD 4Å; F505-M510 VanDerWaalsContact O-CB 3.29Å; F505-M510 WeakPolarHBondContact O-CB 3.23Å; F505-M510 PolarHBondContact O-N 3.19Å; S508-M510 PolarHBondContact O-N 3.08Å; M510-M512 PolarHBondContact O-N 3.33Å
511	D	84	Confident	86.8	Confident	87 Å²	87	63.3 Å²	63.3	47%	0.465	32%	0.316	S	S	.	.			trans	-64.9	119.1	167.9	172.6	16.2	0	0	0	109.5	E513 Q514	D511-E513 WeakPolarHBondContact OD1-CB 3.38Å; D511-E513 PolarHBondContact OD1-N 3.05Å; D511-Q514 HydrophobicContact CB-CG 3.96Å; D511-Q514 WeakPolarHBondContact O-CG 3.46Å; D511-Q514 PolarHBondContact O-NE2 3.13Å; D511-Q514 WeakPolarHBondContact OD2-CG 3.34Å
512	M	86.3	Confident	87	Confident	13 Å²	13	63 Å²	63	6%	0.064	31%	0.313	C	S	.	.	S	Bend	trans	-89.2	-8.2	-176.9	-58.2	-68	-71.5	0	0	112.5	L490 L502 F505 A506 M510 Q514 F537 L538 C542 V544	L490-M512 HydrophobicContact CD1-CE 3.65Å; L490-M512 HydrophobicContact CD1-SD 3.72Å; L502-M512 HydrophobicContact CB-CE 4.45Å; L502-M512 HydrophobicContact CD2-CE 4.31Å; F505-M512 HydrophobicContact CB-SD 4.4Å; A506-M512 HydrophobicContact CB-SD 4.25Å; M510-M512 PolarHBondContact O-N 3.33Å; M512-Q514 VanDerWaalsContact C-N 3.34Å; M512-F537 HydrophobicContact CE-CE1 4.2Å; M512-L538 HydrophobicContact CE-CD2 3.56Å; M512-C542 HydrophobicContact CB-CB 4.31Å; M512-C542 HydrophobicContact CG-CB 4.16Å; M512-V544 HydrophobicContact CB-CG2 3.99Å
513	E	88.8	Confident	87.2	Confident	84 Å²	84	63 Å²	63	39%	0.393	31%	0.313	S	S	.	.	S	Bend	trans	-90.1	0.7	177.9	-52.6	-150.6	118.4	0	0	113	D511 V544 N545	D511-E513 WeakPolarHBondContact OD1-CB 3.38Å; D511-E513 PolarHBondContact OD1-N 3.05Å; E513-V544 HydrophobicContact CG-CG1 4.36Å; E513-N545 VanDerWaalsContact OE1-CB 3.24Å; E513-N545 WeakPolarHBondContact OE1-CB 3.43Å; E513-N545 PolarHBondContact OE1-N 3.24Å
514	Q	86.9	Confident	87.3	Confident	27 Å²	27	56.6 Å²	56.6	13%	0.126	29%	0.289	C	S	.	.			trans	-59.4	142.4	178.3	-64.8	-179.7	74.6	0	0	111.8	V487 D511 M512	V487-Q514 HydrophobicContact CG2-CB 3.67Å; V487-Q514 HydrophobicContact CG2-CG 4.45Å; D511-Q514 HydrophobicContact CB-CG 3.96Å; D511-Q514 WeakPolarHBondContact O-CG 3.46Å; D511-Q514 PolarHBondContact O-NE2 3.13Å; D511-Q514 WeakPolarHBondContact OD2-CG 3.34Å; M512-Q514 VanDerWaalsContact C-N 3.34Å
515	K	89.4	Confident	87.7	Confident	90 Å²	90	50.4 Å²	50.4	39%	0.391	27%	0.267	S	S	.	.			trans	-111	146.2	-172.7	-64.7	-179.8	169.7	-146.6	0	112	S519 R520 T521 K549	K515-S519 VanDerWaalsContact CD-O 3.23Å; K515-S519 WeakPolarHBondContact CD-O 3.48Å; K515-S519 WeakPolarHBondContact CE-O 3.49Å; K515-S519 WeakPolarHBondContact CG-O 3.43Å; K515-S519 PolarHBondContact NZ-O 3.24Å; K515-R520 VanDerWaalsContact CA-O 3.29Å; K515-R520 WeakPolarHBondContact CA-O 3.49Å; K515-T521 HydrophobicContact CG-CG2 3.86Å; K515-K549 PolarHBondContact NZ-O 3.21Å
516	D	88.5	Confident	88	Confident	25 Å²	25	48.2 Å²	48.2	13%	0.134	26%	0.258	C	S	.	.			trans	-76.9	-172.5	168.8	66.3	3.9	0	0	0	112.9	V487 L491 D518 S519 R520	V487-D516 HydrophobicContact CG1-CB 4.29Å; L491-D516 HydrophobicContact CD1-CB 3.54Å; D516-D518 PolarHBondContact O-N 3.4Å; D516-D518 VanDerWaalsContact O-N 3.11Å; D516-D518 VanDerWaalsContact OD1-CA 3.28Å; D516-D518 WeakPolarHBondContact OD1-CA 3.46Å; D516-D518 WeakPolarHBondContact OD1-CB 3.38Å; D516-D518 PolarHBondContact OD1-N 2.83Å; D516-S519 PolarHBondContact O-N 3.28Å; D516-S519 VanDerWaalsContact O-N 3.13Å; D516-S519 PolarHBondContact OD1-N 2.76Å; D516-R520 PolarHBondContact N-O 2.91Å; D516-R520 VanDerWaalsContact N-O 3.08Å; D516-R520 WeakPolarHBondContact OD1-CB 3.29Å; D516-R520 PolarHBondContact OD1-N 2.87Å; D516-R520 IonicContact OD2-CZ 2.66Å; D516-R520 IonicContact OD2-NE 2.65Å; D516-R520 PolarHBondContact OD2-NE 3.39Å; D516-R520 IonicContact OD2-NH2 2.71Å; D516-R520 PolarHBondContact OD2-NH2 3.32Å
517	Y	84.4	Confident	88.4	Confident	169 Å²	169	46.6 Å²	46.6	66%	0.663	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.9	174.3	68.3	-98.8	0	0	0	113	R551	Y517-R551 PolarHBondContact O-NH2 3.49Å
518	D	88.8	Confident	88.7	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.8	-175.7	-120.1	0.1	0	0	0	112.4	D516 R520 R551 W552	D516-D518 PolarHBondContact O-N 3.4Å; D516-D518 VanDerWaalsContact O-N 3.11Å; D516-D518 VanDerWaalsContact OD1-CA 3.28Å; D516-D518 WeakPolarHBondContact OD1-CA 3.46Å; D516-D518 WeakPolarHBondContact OD1-CB 3.38Å; D516-D518 PolarHBondContact OD1-N 2.83Å; D518-R520 HydrophobicContact CB-CG 4.16Å; D518-R520 PolarHBondContact O-N 3.26Å; D518-R520 IonicContact OD2-CZ 3.7Å; D518-R520 IonicContact OD2-NE 3.19Å; D518-R551 VanDerWaalsContact O-CB 3.31Å; D518-R551 WeakPolarHBondContact O-CB 3.27Å; D518-R551 PolarHBondContact O-N 3.33Å; D518-R551 VanDerWaalsContact OD1-CD 3.3Å; D518-R551 WeakPolarHBondContact OD1-CD 3.44Å; D518-R551 IonicContact OD1-CZ 3.42Å; D518-R551 IonicContact OD1-NE 3.2Å; D518-R551 PolarHBondContact OD1-NE 3.09Å; D518-R551 IonicContact OD1-NH1 3.6Å; D518-W552 VanDerWaalsContact CG-CH2 3.49Å; D518-W552 WeakPolarHBondContact OD1-CH2 3.43Å; D518-W552 WeakPolarHBondContact OD2-CH2 3.43Å; D518-W552 VanDerWaalsContact OD2-CZ3 3.25Å; D518-W552 WeakPolarHBondContact OD2-CZ3 3.5Å
519	S	89.4	Confident	89.4	Confident	49 Å²	49	41 Å²	41	34%	0.343	21%	0.21	S	C	.	.	S	Bend	trans	62.8	11.4	-173.3	-62.9	0	0	0	0	114.9	K515 D516	K515-S519 VanDerWaalsContact CD-O 3.23Å; K515-S519 WeakPolarHBondContact CD-O 3.48Å; K515-S519 WeakPolarHBondContact CE-O 3.49Å; K515-S519 WeakPolarHBondContact CG-O 3.43Å; K515-S519 PolarHBondContact NZ-O 3.24Å; D516-S519 PolarHBondContact O-N 3.28Å; D516-S519 VanDerWaalsContact O-N 3.13Å; D516-S519 PolarHBondContact OD1-N 2.76Å
520	R	90.8	Very high	90.1	Very high	67 Å²	67	37.6 Å²	37.6	25%	0.253	18%	0.183	S	C	.	.			trans	-84.7	138.5	-178.6	-66.6	178	-51.7	160.4	8.6	111.4	K515 D516 D518 H524 D550	K515-R520 VanDerWaalsContact CA-O 3.29Å; K515-R520 WeakPolarHBondContact CA-O 3.49Å; D516-R520 PolarHBondContact N-O 2.91Å; D516-R520 VanDerWaalsContact N-O 3.08Å; D516-R520 WeakPolarHBondContact OD1-CB 3.29Å; D516-R520 PolarHBondContact OD1-N 2.87Å; D516-R520 IonicContact OD2-CZ 2.66Å; D516-R520 IonicContact OD2-NE 2.65Å; D516-R520 PolarHBondContact OD2-NE 3.39Å; D516-R520 IonicContact OD2-NH2 2.71Å; D516-R520 PolarHBondContact OD2-NH2 3.32Å; D518-R520 HydrophobicContact CB-CG 4.16Å; D518-R520 PolarHBondContact O-N 3.26Å; D518-R520 IonicContact OD2-CZ 3.7Å; D518-R520 IonicContact OD2-NE 3.19Å; R520-H524 HydrophobicContact CB-CB 3.94Å; R520-H524 HydrophobicContact CG-CB 4.17Å; R520-D550 HydrophobicContact CG-CB 3.65Å
521	T	92.4	Very high	90.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	19%	0.188	C	C	.	.			trans	-94.2	172.1	174.1	65.1	0	0	0	0	111.2	L491 K515 L523 H524 V525 A548	L491-T521 VanDerWaalsContact CD2-C 3.42Å; K515-T521 HydrophobicContact CG-CG2 3.86Å; T521-L523 PolarHBondContact O-N 3.4Å; T521-L523 VanDerWaalsContact O-N 3.11Å; T521-L523 PolarHBondContact OG1-N 3.47Å; T521-H524 PolarHBondContact N-ND1 2.85Å; T521-H524 VanDerWaalsContact N-ND1 3.16Å; T521-H524 WeakPolarHBondContact O-CB 3.47Å; T521-H524 PolarHBondContact O-N 3.23Å; T521-H524 VanDerWaalsContact O-N 3.11Å; T521-H524 PolarHBondContact OG1-ND1 2.94Å; T521-V525 PolarHBondContact O-N 3.02Å; T521-A548 HydrophobicContact CG2-CB 4.21Å
522	A	93.1	Very high	91.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-27.8	173.3	0	0	0	0	0	113.1	L490 L491 A494 A526 L538	L490-A522 HydrophobicContact CG-CB 4.29Å; L491-A522 HydrophobicContact CD2-CB 3.99Å; A494-A522 HydrophobicContact CB-CB 4.22Å; A522-A526 VanDerWaalsContact O-CB 3.27Å; A522-A526 WeakPolarHBondContact O-CB 3.43Å; A522-A526 PolarHBondContact O-N 2.99Å; A522-L538 HydrophobicContact CB-CD1 3.81Å; A522-L538 HydrophobicContact CB-CD2 4.12Å
523	L	93.4	Very high	91.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-37.9	178.5	-169.4	60.1	0	0	0	112.4	T521 A527 V535 L538 I539 V544 P556 L572	T521-L523 PolarHBondContact O-N 3.4Å; T521-L523 VanDerWaalsContact O-N 3.11Å; T521-L523 PolarHBondContact OG1-N 3.47Å; L523-A527 WeakPolarHBondContact O-CB 3.28Å; L523-A527 PolarHBondContact O-N 3.11Å; L523-V535 HydrophobicContact CD1-CG1 4.18Å; L523-L538 HydrophobicContact CB-CD1 4.34Å; L523-L538 HydrophobicContact CD1-CB 4.19Å; L523-L538 HydrophobicContact CD1-CD1 4.3Å; L523-I539 HydrophobicContact CD1-CD1 4.43Å; L523-I539 HydrophobicContact CD1-CG1 4.14Å; L523-V544 HydrophobicContact CB-CG1 4.19Å; L523-V544 HydrophobicContact CD2-CG1 4.31Å; L523-P556 HydrophobicContact CB-CG 4.26Å; L523-P556 HydrophobicContact CD2-CB 4.35Å; L523-P556 HydrophobicContact CD2-CG 4.1Å; L523-P556 HydrophobicContact CG-CB 3.95Å; L523-P556 HydrophobicContact CG-CG 3.99Å; L523-L572 HydrophobicContact CD1-CD2 4.1Å; L523-L572 HydrophobicContact CD2-CD2 4.14Å; L523-L572 HydrophobicContact CG-CD2 4.21Å
524	H	93.4	Very high	91.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-51.1	173.7	-67.4	76.9	0	0	0	110.6	R520 T521 A526 A527 A528 A548 D559	R520-H524 HydrophobicContact CB-CB 3.94Å; R520-H524 HydrophobicContact CG-CB 4.17Å; T521-H524 PolarHBondContact N-ND1 2.85Å; T521-H524 VanDerWaalsContact N-ND1 3.16Å; T521-H524 WeakPolarHBondContact O-CB 3.47Å; T521-H524 PolarHBondContact O-N 3.23Å; T521-H524 VanDerWaalsContact O-N 3.11Å; T521-H524 PolarHBondContact OG1-ND1 2.94Å; H524-A526 PolarHBondContact O-N 3.5Å; H524-A527 PolarHBondContact O-N 3.38Å; H524-A527 VanDerWaalsContact O-N 3.16Å; H524-A528 WeakPolarHBondContact O-CB 3.12Å; H524-A528 PolarHBondContact O-N 3.33Å; H524-A548 PolarHBondContact CE1-O 3.39Å; H524-A548 PolarHBondContact NE2-O 2.8Å; H524-A548 VanDerWaalsContact NE2-O 3.1Å; H524-D559 WeakPolarHBondContact CB-OD2 3.49Å; H524-D559 IonicContact CD2-OD2 3.39Å; H524-D559 PolarHBondContact CD2-OD2 2.91Å; H524-D559 IonicContact CG-OD2 3.81Å
525	V	93.6	Very high	91.8	Very high	14 Å²	14	36 Å²	36	9%	0.085	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-42.4	-178.5	179.6	0	0	0	0	111.5	L491 A494 T521 A527 E529	L491-V525 HydrophobicContact CB-CG2 4.4Å; L491-V525 HydrophobicContact CD1-CG2 4.38Å; L491-V525 HydrophobicContact CD2-CG2 4.08Å; A494-V525 HydrophobicContact CB-CB 4.47Å; A494-V525 HydrophobicContact CB-CG1 4.41Å; T521-V525 PolarHBondContact O-N 3.02Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 2.83Å; V525-E529 WeakPolarHBondContact O-CG 3.31Å; V525-E529 PolarHBondContact O-N 2.85Å
526	A	94.6	Very high	92	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-32.8	175.9	0	0	0	0	0	113.2	A494 A522 H524 G530 H531 V534 V535 L538	A494-A526 HydrophobicContact CB-CB 4.39Å; A522-A526 VanDerWaalsContact O-CB 3.27Å; A522-A526 WeakPolarHBondContact O-CB 3.43Å; A522-A526 PolarHBondContact O-N 2.99Å; H524-A526 PolarHBondContact O-N 3.5Å; A526-G530 PolarHBondContact O-N 2.89Å; A526-G530 VanDerWaalsContact O-N 3.16Å; A526-H531 PolarHBondContact O-N 3.11Å; A526-V534 HydrophobicContact CB-CB 4.07Å; A526-V534 HydrophobicContact CB-CG1 3.42Å; A526-V534 VanDerWaalsContact CB-CG1 3.42Å; A526-V535 HydrophobicContact CB-CG2 3.8Å; A526-L538 HydrophobicContact CB-CD1 4.24Å
527	A	93.3	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-73.9	-40.7	178.6	0	0	0	0	0	112.6	L523 H524 V525 G530 P556 A560 H565 V568 L572	L523-A527 WeakPolarHBondContact O-CB 3.28Å; L523-A527 PolarHBondContact O-N 3.11Å; H524-A527 PolarHBondContact O-N 3.38Å; H524-A527 VanDerWaalsContact O-N 3.16Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 2.83Å; A527-G530 PolarHBondContact O-N 3.36Å; A527-P556 HydrophobicContact CB-CB 4.14Å; A527-P556 VanDerWaalsContact CB-O 3.28Å; A527-P556 WeakPolarHBondContact CB-O 3.12Å; A527-A560 HydrophobicContact CB-CB 4.22Å; A527-H565 PolarHBondContact O-CD2 2.93Å; A527-V568 HydrophobicContact CB-CG1 4.18Å; A527-L572 HydrophobicContact CB-CD1 3.94Å
528	A	93.3	Very high	92.5	Very high	16 Å²	16	26.9 Å²	26.9	13%	0.132	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-32.4	176.7	0	0	0	0	0	113.8	H524 D559 F563 H565	H524-A528 WeakPolarHBondContact O-CB 3.12Å; H524-A528 PolarHBondContact O-N 3.33Å; A528-D559 HydrophobicContact CB-CB 4.29Å; A528-F563 HydrophobicContact CB-CD2 3.69Å; A528-F563 HydrophobicContact CB-CE2 3.78Å; A528-F563 WeakPolarHBondContact O-CB 3.36Å; A528-H565 PolarHBondContact O-CD2 3.17Å; A528-H565 PolarHBondContact O-NE2 3.45Å; A528-H565 VanDerWaalsContact O-NE2 3.11Å
529	E	93.7	Very high	92.6	Very high	85 Å²	85	27.3 Å²	27.3	40%	0.397	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.9	176.6	-61.3	-66.5	145.7	0	0	113.5	Y495 V525 H531	Y495-E529 VanDerWaalsContact CD2-CD 3.47Å; Y495-E529 HydrophobicContact CD2-CG 3.71Å; Y495-E529 WeakPolarHBondContact CD2-OE1 3.49Å; Y495-E529 VanDerWaalsContact CE2-CD 3.42Å; Y495-E529 HydrophobicContact CE2-CG 4.19Å; Y495-E529 VanDerWaalsContact CE2-OE1 3.22Å; Y495-E529 WeakPolarHBondContact CE2-OE1 3.34Å; V525-E529 WeakPolarHBondContact O-CG 3.31Å; V525-E529 PolarHBondContact O-N 2.85Å; E529-H531 VanDerWaalsContact CB-CD2 3.47Å; E529-H531 WeakPolarHBondContact CB-CD2 3.46Å
530	G	92.8	Very high	92.5	Very high	16 Å²	16	31.8 Å²	31.8	17%	0.165	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	20.3	179	0	0	0	0	0	115.9	A526 A527 I532	A526-G530 PolarHBondContact O-N 2.89Å; A526-G530 VanDerWaalsContact O-N 3.16Å; A527-G530 PolarHBondContact O-N 3.36Å; G530-I532 PolarHBondContact O-N 3.11Å
531	H	94.3	Very high	92.3	Very high	60 Å²	60	31.9 Å²	31.9	28%	0.278	17%	0.169	S	C	.	.			trans	-76.9	81	-175.7	-70.7	-55.7	0	0	0	113	A494 Y495 A526 E529 E533 V534 V535	A494-H531 PolarHBondContact O-CD2 3.16Å; Y495-H531 PolarHBondContact O-CD2 3.46Å; Y495-H531 PolarHBondContact O-NE2 3.08Å; A526-H531 PolarHBondContact O-N 3.11Å; E529-H531 VanDerWaalsContact CB-CD2 3.47Å; E529-H531 WeakPolarHBondContact CB-CD2 3.46Å; H531-E533 VanDerWaalsContact C-N 3.32Å; H531-E533 PolarHBondContact O-N 2.93Å; H531-E533 VanDerWaalsContact O-N 3.17Å; H531-V534 HydrophobicContact CB-CB 3.95Å; H531-V534 HydrophobicContact CB-CG2 3.99Å; H531-V534 WeakPolarHBondContact O-CA 3.29Å; H531-V534 WeakPolarHBondContact O-CB 3.46Å; H531-V534 PolarHBondContact O-N 3.01Å; H531-V535 PolarHBondContact O-N 2.9Å
532	I	92	Very high	91.9	Very high	46 Å²	46	33.4 Å²	33.4	24%	0.236	18%	0.179	C	C	.	.	H	α-helix	trans	-45.4	-49.1	-177.1	-63.5	163.2	0	0	0	113.5	G530 V534 V535 K536 E567 V568 L571	G530-I532 PolarHBondContact O-N 3.11Å; I532-V534 VanDerWaalsContact C-N 3.31Å; I532-V534 PolarHBondContact O-N 3.47Å; I532-V535 PolarHBondContact O-N 3.26Å; I532-K536 HydrophobicContact CG2-CD 4.2Å; I532-K536 VanDerWaalsContact CG2-CE 3.47Å; I532-K536 WeakPolarHBondContact O-CG 3.46Å; I532-K536 PolarHBondContact O-N 3.21Å; I532-E567 HydrophobicContact CD1-CB 4.15Å; I532-E567 WeakPolarHBondContact CD1-OE2 3.45Å; I532-V568 HydrophobicContact CG1-CG2 3.89Å; I532-L571 HydrophobicContact CG2-CD1 3.85Å
533	E	91.8	Very high	91.6	Very high	109 Å²	109	40.7 Å²	40.7	51%	0.509	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-25.5	-176.3	-63	-59.9	113.3	0	0	113.1	V499 H531 K536 F537	V499-E533 HydrophobicContact CG2-CB 3.95Å; H531-E533 VanDerWaalsContact C-N 3.32Å; H531-E533 PolarHBondContact O-N 2.93Å; H531-E533 VanDerWaalsContact O-N 3.17Å; E533-K536 IonicContact OE1-NZ 3.96Å; E533-K536 PolarHBondContact OE1-NZ 3.13Å; E533-F537 WeakPolarHBondContact O-CB 3.34Å; E533-F537 PolarHBondContact O-N 3.27Å
534	V	93.3	Very high	91.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-73.8	-46.3	170	171.6	0	0	0	0	110.2	A494 V499 L502 A526 H531 I532 K536 F537 L538	A494-V534 HydrophobicContact CB-CG1 4.19Å; V499-V534 HydrophobicContact CG2-CG2 3.73Å; L502-V534 HydrophobicContact CD1-CB 4.17Å; L502-V534 HydrophobicContact CD1-CG1 3.37Å; L502-V534 HydrophobicContact CD1-CG2 3.9Å; A526-V534 HydrophobicContact CB-CB 4.07Å; A526-V534 HydrophobicContact CB-CG1 3.42Å; A526-V534 VanDerWaalsContact CB-CG1 3.42Å; H531-V534 HydrophobicContact CB-CB 3.95Å; H531-V534 HydrophobicContact CB-CG2 3.99Å; H531-V534 WeakPolarHBondContact O-CA 3.29Å; H531-V534 WeakPolarHBondContact O-CB 3.46Å; H531-V534 PolarHBondContact O-N 3.01Å; I532-V534 VanDerWaalsContact C-N 3.31Å; I532-V534 PolarHBondContact O-N 3.47Å; V534-K536 PolarHBondContact O-N 3.02Å; V534-F537 PolarHBondContact O-N 2.93Å; V534-F537 VanDerWaalsContact O-N 3.15Å; V534-L538 HydrophobicContact CG1-CD1 3.74Å; V534-L538 HydrophobicContact CG1-CG 4.19Å; V534-L538 WeakPolarHBondContact O-CG 3.23Å; V534-L538 PolarHBondContact O-N 3.06Å
535	V	92.4	Very high	91.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-49.7	179	172.9	0	0	0	0	110.6	L523 A526 H531 I532 F537 L538 I539 V568 L572	L523-V535 HydrophobicContact CD1-CG1 4.18Å; A526-V535 HydrophobicContact CB-CG2 3.8Å; H531-V535 PolarHBondContact O-N 2.9Å; I532-V535 PolarHBondContact O-N 3.26Å; V535-F537 VanDerWaalsContact C-N 3.33Å; V535-F537 PolarHBondContact O-N 3.39Å; V535-L538 PolarHBondContact O-N 3.45Å; V535-I539 HydrophobicContact CG1-CD1 3.53Å; V535-I539 HydrophobicContact CG1-CG1 4.36Å; V535-I539 WeakPolarHBondContact O-CB 3.34Å; V535-I539 VanDerWaalsContact O-CG1 3.28Å; V535-I539 WeakPolarHBondContact O-CG1 3.33Å; V535-I539 PolarHBondContact O-N 3.4Å; V535-V568 HydrophobicContact CG1-CG1 4.27Å; V535-V568 HydrophobicContact CG2-CG1 3.97Å; V535-V568 HydrophobicContact CG2-CG2 4.41Å; V535-L572 HydrophobicContact CG1-CD2 4.41Å; V535-L572 HydrophobicContact CG1-CG 4.41Å
536	K	92.4	Very high	90.9	Very high	65 Å²	65	42.2 Å²	42.2	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-54.9	-46.1	173.3	-71	174	-173	163.1	0	112.2	I532 E533 V534 L538 I539 E540 L571	I532-K536 HydrophobicContact CG2-CD 4.2Å; I532-K536 VanDerWaalsContact CG2-CE 3.47Å; I532-K536 WeakPolarHBondContact O-CG 3.46Å; I532-K536 PolarHBondContact O-N 3.21Å; E533-K536 IonicContact OE1-NZ 3.96Å; E533-K536 PolarHBondContact OE1-NZ 3.13Å; V534-K536 PolarHBondContact O-N 3.02Å; K536-L538 PolarHBondContact O-N 2.89Å; K536-I539 PolarHBondContact O-N 3.19Å; K536-E540 VanDerWaalsContact O-CB 3.29Å; K536-E540 WeakPolarHBondContact O-CB 3.38Å; K536-E540 WeakPolarHBondContact O-CG 3.49Å; K536-E540 PolarHBondContact O-N 3.35Å; K536-L571 HydrophobicContact CG-CD1 4.23Å
537	F	92.8	Very high	90.6	Very high	27 Å²	27	46 Å²	46	12%	0.118	24%	0.235	C	C	.	.	I	π-helix	trans	-61.9	-45.4	179.5	176.9	-103.6	0	0	0	112.5	V499 L502 R503 A506 M512 E533 V534 V535 I539 A541 C542	V499-F537 HydrophobicContact CG1-CB 4.2Å; V499-F537 HydrophobicContact CG1-CG 4.23Å; L502-F537 HydrophobicContact CB-CD1 3.84Å; L502-F537 HydrophobicContact CB-CE1 3.67Å; L502-F537 HydrophobicContact CD1-CD1 4.49Å; R503-F537 HydrophobicContact CB-CE2 4.49Å; R503-F537 HydrophobicContact CB-CZ 4.34Å; R503-F537 HydrophobicContact CG-CD2 4.02Å; R503-F537 HydrophobicContact CG-CE1 4.46Å; R503-F537 HydrophobicContact CG-CE2 3.48Å; R503-F537 VanDerWaalsContact CG-CE2 3.48Å; R503-F537 HydrophobicContact CG-CZ 3.74Å; A506-F537 HydrophobicContact CB-CE1 4.36Å; A506-F537 HydrophobicContact CB-CZ 3.88Å; M512-F537 HydrophobicContact CE-CE1 4.2Å; E533-F537 WeakPolarHBondContact O-CB 3.34Å; E533-F537 PolarHBondContact O-N 3.27Å; V534-F537 PolarHBondContact O-N 2.93Å; V534-F537 VanDerWaalsContact O-N 3.15Å; V535-F537 VanDerWaalsContact C-N 3.33Å; V535-F537 PolarHBondContact O-N 3.39Å; F537-I539 VanDerWaalsContact C-N 3.34Å; F537-I539 PolarHBondContact O-N 3.13Å; F537-A541 HydrophobicContact CD2-CB 3.83Å; F537-A541 HydrophobicContact CE2-CB 3.76Å; F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 2.96Å; F537-A541 VanDerWaalsContact O-N 3.1Å; F537-C542 VanDerWaalsContact CE1-SG 3.6Å; F537-C542 PolarHBondContact O-N 2.84Å
538	L	91	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-67	-35.4	179.7	-67.8	173.2	0	0	0	112.6	M512 A522 L523 A526 V534 V535 K536 C542 K543 V544	M512-L538 HydrophobicContact CE-CD2 3.56Å; A522-L538 HydrophobicContact CB-CD1 3.81Å; A522-L538 HydrophobicContact CB-CD2 4.12Å; L523-L538 HydrophobicContact CB-CD1 4.34Å; L523-L538 HydrophobicContact CD1-CB 4.19Å; L523-L538 HydrophobicContact CD1-CD1 4.3Å; A526-L538 HydrophobicContact CB-CD1 4.24Å; V534-L538 HydrophobicContact CG1-CD1 3.74Å; V534-L538 HydrophobicContact CG1-CG 4.19Å; V534-L538 WeakPolarHBondContact O-CG 3.23Å; V534-L538 PolarHBondContact O-N 3.06Å; V535-L538 PolarHBondContact O-N 3.45Å; K536-L538 PolarHBondContact O-N 2.89Å; L538-C542 CarbonylContact O-C 3.52Å; L538-C542 WeakPolarHBondContact O-CB 3.45Å; L538-K543 PolarHBondContact O-N 2.9Å; L538-V544 HydrophobicContact CB-CG2 4.36Å; L538-V544 HydrophobicContact CD2-CG2 4.37Å; L538-V544 PolarHBondContact O-N 2.88Å; L538-V544 VanDerWaalsContact O-N 3.14Å
539	I	90.6	Very high	90.2	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.077	26%	0.261	C	S	.	.	I	π-helix	trans	-75.6	-60.3	178.3	-71.9	176.5	0	0	0	111.3	L523 V535 K536 F537 K543 L572 Y575	L523-I539 HydrophobicContact CD1-CD1 4.43Å; L523-I539 HydrophobicContact CD1-CG1 4.14Å; V535-I539 HydrophobicContact CG1-CD1 3.53Å; V535-I539 HydrophobicContact CG1-CG1 4.36Å; V535-I539 WeakPolarHBondContact O-CB 3.34Å; V535-I539 VanDerWaalsContact O-CG1 3.28Å; V535-I539 WeakPolarHBondContact O-CG1 3.33Å; V535-I539 PolarHBondContact O-N 3.4Å; K536-I539 PolarHBondContact O-N 3.19Å; F537-I539 VanDerWaalsContact C-N 3.34Å; F537-I539 PolarHBondContact O-N 3.13Å; I539-K543 VanDerWaalsContact O-CA 3.3Å; I539-K543 WeakPolarHBondContact O-CA 3.48Å; I539-K543 PolarHBondContact O-N 3.46Å; I539-L572 HydrophobicContact CD1-CD2 3.89Å; I539-Y575 HydrophobicContact CB-CD1 4.19Å; I539-Y575 HydrophobicContact CB-CE1 4.26Å; I539-Y575 HydrophobicContact CB-CG 4.36Å; I539-Y575 HydrophobicContact CD1-CD1 3.78Å; I539-Y575 HydrophobicContact CD1-CE1 4.48Å; I539-Y575 HydrophobicContact CD1-CG 4.13Å; I539-Y575 HydrophobicContact CG1-CD1 3.61Å; I539-Y575 HydrophobicContact CG1-CE1 3.82Å; I539-Y575 HydrophobicContact CG1-CG 4.16Å; I539-Y575 HydrophobicContact CG2-CD1 3.71Å; I539-Y575 HydrophobicContact CG2-CD2 3.41Å; I539-Y575 VanDerWaalsContact CG2-CD2 3.41Å; I539-Y575 HydrophobicContact CG2-CE1 3.98Å; I539-Y575 HydrophobicContact CG2-CE2 3.71Å; I539-Y575 HydrophobicContact CG2-CG 3.4Å; I539-Y575 VanDerWaalsContact CG2-CG 3.4Å
540	E	88.1	Confident	90.1	Very high	143 Å²	143	48.6 Å²	48.6	67%	0.668	25%	0.245	S	C	*	.	I	π-helix	trans	-76.2	-42.6	-169.2	-62.3	174.4	-173.3	0	0	112.5	K536	K536-E540 VanDerWaalsContact O-CB 3.29Å; K536-E540 WeakPolarHBondContact O-CB 3.38Å; K536-E540 WeakPolarHBondContact O-CG 3.49Å; K536-E540 PolarHBondContact O-N 3.35Å
541	A	86.3	Confident	90	Very high	69 Å²	69	54.9 Å²	54.9	57%	0.57	26%	0.264	S	S	*	.	I	π-helix	trans	-96.3	-34.2	-172.7	0	0	0	0	0	113.2	F537	F537-A541 HydrophobicContact CD2-CB 3.83Å; F537-A541 HydrophobicContact CE2-CB 3.76Å; F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 2.96Å; F537-A541 VanDerWaalsContact O-N 3.1Å
542	C	84.4	Confident	89.8	Confident	34 Å²	34	60.1 Å²	60.1	23%	0.23	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-16.1	-179.5	-59.8	0	0	0	0	114.4	M512 F537 L538 V544	M512-C542 HydrophobicContact CB-CB 4.31Å; M512-C542 HydrophobicContact CG-CB 4.16Å; F537-C542 VanDerWaalsContact CE1-SG 3.6Å; F537-C542 PolarHBondContact O-N 2.84Å; L538-C542 CarbonylContact O-C 3.52Å; L538-C542 WeakPolarHBondContact O-CB 3.45Å; C542-V544 VanDerWaalsContact C-N 3.28Å; C542-V544 HydrophobicContact CB-CG2 4.04Å; C542-V544 PolarHBondContact O-N 3.45Å
543	K	87.3	Confident	89.6	Confident	153 Å²	153	59.6 Å²	59.6	67%	0.665	29%	0.287	S	S	*	.			trans	51.2	41.3	-178.8	-59.4	-168.6	175.2	-165.9	0	114.4	L538 I539	L538-K543 PolarHBondContact O-N 2.9Å; I539-K543 VanDerWaalsContact O-CA 3.3Å; I539-K543 WeakPolarHBondContact O-CA 3.48Å; I539-K543 PolarHBondContact O-N 3.46Å
544	V	88.4	Confident	89.6	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	27%	0.274	C	S	.	.			trans	-62.7	140.4	176.8	177.7	0	0	0	0	110.1	M512 E513 L523 L538 C542 P546 Y575	M512-V544 HydrophobicContact CB-CG2 3.99Å; E513-V544 HydrophobicContact CG-CG1 4.36Å; L523-V544 HydrophobicContact CB-CG1 4.19Å; L523-V544 HydrophobicContact CD2-CG1 4.31Å; L538-V544 HydrophobicContact CB-CG2 4.36Å; L538-V544 HydrophobicContact CD2-CG2 4.37Å; L538-V544 PolarHBondContact O-N 2.88Å; L538-V544 VanDerWaalsContact O-N 3.14Å; C542-V544 VanDerWaalsContact C-N 3.28Å; C542-V544 HydrophobicContact CB-CG2 4.04Å; C542-V544 PolarHBondContact O-N 3.45Å; V544-P546 WeakPolarHBondContact O-CD 3.39Å; V544-Y575 WeakPolarHBondContact O-CE1 3.31Å; V544-Y575 PolarHBondContact O-OH 3.19Å
545	N	87.9	Confident	89.6	Confident	47 Å²	47	57.5 Å²	57.5	25%	0.251	28%	0.28	S	S	.	.			trans	-62.5	119.5	179	-178	-16.1	0	0	0	112.1	E513 F547 A548	E513-N545 VanDerWaalsContact OE1-CB 3.24Å; E513-N545 WeakPolarHBondContact OE1-CB 3.43Å; E513-N545 PolarHBondContact OE1-N 3.24Å; N545-F547 VanDerWaalsContact C-N 3.31Å; N545-F547 PolarHBondContact O-N 3.44Å; N545-F547 WeakPolarHBondContact OD1-CA 3.5Å; N545-F547 PolarHBondContact OD1-N 2.74Å; N545-A548 PolarHBondContact OD1-N 3.15Å
546	P	88.6	Confident	89.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.8	-178.7	34.4	-35.3	0	0	0	114.4	V544 Y575 Q576 Y579	V544-P546 WeakPolarHBondContact O-CD 3.39Å; P546-Y575 HydrophobicContact CB-CD1 3.74Å; P546-Y575 HydrophobicContact CB-CE1 3.79Å; P546-Y575 HydrophobicContact CG-CD1 3.85Å; P546-Y575 HydrophobicContact CG-CE1 3.67Å; P546-Q576 HydrophobicContact CB-CG 3.87Å; P546-Q576 HydrophobicContact CG-CG 4.03Å; P546-Q576 PolarHBondContact O-NE2 3.2Å; P546-Y579 HydrophobicContact CG-CD1 4.47Å; P546-Y579 HydrophobicContact CG-CD2 4.11Å; P546-Y579 HydrophobicContact CG-CG 3.97Å
547	F	87.9	Confident	89.6	Confident	80 Å²	80	55.5 Å²	55.5	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6.3	177.9	-57	-70.1	0	0	0	113	N545 K549 Q576 Y579	N545-F547 VanDerWaalsContact C-N 3.31Å; N545-F547 PolarHBondContact O-N 3.44Å; N545-F547 WeakPolarHBondContact OD1-CA 3.5Å; N545-F547 PolarHBondContact OD1-N 2.74Å; F547-K549 PolarHBondContact O-N 3.29Å; F547-Q576 HydrophobicContact CD1-CG 4.49Å; F547-Q576 HydrophobicContact CE1-CB 4.19Å; F547-Q576 HydrophobicContact CE1-CG 3.74Å; F547-Q576 HydrophobicContact CE2-CG 4.46Å; F547-Q576 HydrophobicContact CZ-CB 3.83Å; F547-Q576 HydrophobicContact CZ-CG 3.73Å; F547-Y579 HydrophobicContact CD2-CD1 4.16Å; F547-Y579 HydrophobicContact CD2-CE1 4.48Å; F547-Y579 AromaticContact CE2-CD1 3.9Å; F547-Y579 HydrophobicContact CE2-CD1 3.9Å; F547-Y579 HydrophobicContact CE2-CG 4.49Å
548	A	87.9	Confident	89.6	Confident	14 Å²	14	57.4 Å²	57.4	12%	0.116	28%	0.283	C	S	.	.			trans	-57.6	124.8	170.2	0	0	0	0	0	109.3	T521 H524 N545	T521-A548 HydrophobicContact CG2-CB 4.21Å; H524-A548 PolarHBondContact CE1-O 3.39Å; H524-A548 PolarHBondContact NE2-O 2.8Å; H524-A548 VanDerWaalsContact NE2-O 3.1Å; N545-A548 PolarHBondContact OD1-N 3.15Å
549	K	91.3	Very high	89.5	Confident	129 Å²	129	58 Å²	58	56%	0.561	29%	0.286	S	S	*	.			trans	-92.5	146.3	176.6	-60.1	-172.3	179.2	-167.3	0	112.3	K515 F547 N554 I555	K515-K549 PolarHBondContact NZ-O 3.21Å; F547-K549 PolarHBondContact O-N 3.29Å; K549-N554 WeakPolarHBondContact CA-O 3.49Å; K549-I555 HydrophobicContact CG-CG2 3.99Å
550	D	91.1	Very high	89.7	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.064	28%	0.282	C	S	.	.			trans	-83.2	-169	168.6	77.6	0.1	0	0	0	112.5	R520 W552 G553 N554	R520-D550 HydrophobicContact CG-CB 3.65Å; D550-W552 WeakPolarHBondContact OD1-CA 3.46Å; D550-W552 PolarHBondContact OD1-N 2.73Å; D550-G553 PolarHBondContact O-N 3.34Å; D550-G553 PolarHBondContact OD1-N 2.92Å; D550-N554 PolarHBondContact N-O 3.01Å; D550-N554 PolarHBondContact OD1-N 3.11Å
551	R	91.3	Very high	89.8	Confident	147 Å²	147	54.5 Å²	54.5	56%	0.555	28%	0.275	S	S	*	.	S	Bend	trans	-67	-30.5	177.2	178.5	-176.7	-72.8	-169.6	-3.6	113.9	Y517 D518	Y517-R551 PolarHBondContact O-NH2 3.49Å; D518-R551 VanDerWaalsContact O-CB 3.31Å; D518-R551 WeakPolarHBondContact O-CB 3.27Å; D518-R551 PolarHBondContact O-N 3.33Å; D518-R551 VanDerWaalsContact OD1-CD 3.3Å; D518-R551 WeakPolarHBondContact OD1-CD 3.44Å; D518-R551 IonicContact OD1-CZ 3.42Å; D518-R551 IonicContact OD1-NE 3.2Å; D518-R551 PolarHBondContact OD1-NE 3.09Å; D518-R551 IonicContact OD1-NH1 3.6Å
552	W	89.4	Confident	90.1	Very high	170 Å²	170	57.2 Å²	57.2	64%	0.644	28%	0.276	S	S	*	.	S	Bend	trans	-87.9	-9.7	179.9	-64.6	-77.9	0	0	0	112.8	D518 D550	D518-W552 VanDerWaalsContact CG-CH2 3.49Å; D518-W552 WeakPolarHBondContact OD1-CH2 3.43Å; D518-W552 WeakPolarHBondContact OD2-CH2 3.43Å; D518-W552 VanDerWaalsContact OD2-CZ3 3.25Å; D518-W552 WeakPolarHBondContact OD2-CZ3 3.5Å; D550-W552 WeakPolarHBondContact OD1-CA 3.46Å; D550-W552 PolarHBondContact OD1-N 2.73Å
553	G	88.1	Confident	90.4	Very high	35 Å²	35	60.7 Å²	60.7	36%	0.361	29%	0.287	S	S	.	.	S	Bend	trans	92.8	3.3	-179.2	0	0	0	0	0	113.6	D550	D550-G553 PolarHBondContact O-N 3.34Å; D550-G553 PolarHBondContact OD1-N 2.92Å
554	N	91.3	Very high	90.6	Very high	42 Å²	42	58.9 Å²	58.9	23%	0.225	29%	0.285	C	S	.	.			trans	-70.2	151.7	174.9	-65.3	-7.5	0	0	0	109.9	K549 D550 D558	K549-N554 WeakPolarHBondContact CA-O 3.49Å; D550-N554 PolarHBondContact N-O 3.01Å; D550-N554 PolarHBondContact OD1-N 3.11Å; N554-D558 WeakPolarHBondContact CA-OD2 3.36Å; N554-D558 HydrophobicContact CB-CB 4.09Å
555	I	92.8	Very high	90.8	Very high	25 Å²	25	61.8 Å²	61.8	13%	0.128	30%	0.299	C	S	.	.			trans	-105.6	165	166	50.5	157.2	0	0	0	110.3	K549 L557 D558 D559 Q576	K549-I555 HydrophobicContact CG-CG2 3.99Å; I555-L557 HydrophobicContact CD1-CB 3.82Å; I555-L557 HydrophobicContact CG1-CB 4.29Å; I555-L557 PolarHBondContact O-N 3.36Å; I555-D558 HydrophobicContact CG1-CB 4.4Å; I555-D558 WeakPolarHBondContact CG1-OD2 3.27Å; I555-D558 PolarHBondContact N-OD2 3.3Å; I555-D558 WeakPolarHBondContact O-CB 3.45Å; I555-D558 PolarHBondContact O-N 2.96Å; I555-D559 PolarHBondContact O-N 3.33Å; I555-Q576 VanDerWaalsContact CD1-NE2 3.27Å
556	P	92.8	Very high	90.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.2	-26.3	179.3	-27.2	34.4	0	0	0	114.9	L523 A527 A560 L572	L523-P556 HydrophobicContact CB-CG 4.26Å; L523-P556 HydrophobicContact CD2-CB 4.35Å; L523-P556 HydrophobicContact CD2-CG 4.1Å; L523-P556 HydrophobicContact CG-CB 3.95Å; L523-P556 HydrophobicContact CG-CG 3.99Å; A527-P556 HydrophobicContact CB-CB 4.14Å; A527-P556 VanDerWaalsContact CB-O 3.28Å; A527-P556 WeakPolarHBondContact CB-O 3.12Å; P556-A560 PolarHBondContact O-N 3.35Å; P556-A560 VanDerWaalsContact O-N 3.08Å; P556-L572 HydrophobicContact CB-CD1 4.28Å; P556-L572 HydrophobicContact CB-CD2 4.35Å; P556-L572 WeakPolarHBondContact O-CD1 3.3Å
557	L	92.6	Very high	90.8	Very high	22 Å²	22	71.1 Å²	71.1	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-67.7	-41.5	173.6	-176.8	65.1	0	0	0	111.8	I555 D559 A560 V561 V569 L572	I555-L557 HydrophobicContact CD1-CB 3.82Å; I555-L557 HydrophobicContact CG1-CB 4.29Å; I555-L557 PolarHBondContact O-N 3.36Å; L557-D559 VanDerWaalsContact C-N 3.33Å; L557-A560 PolarHBondContact O-N 2.99Å; L557-V561 WeakPolarHBondContact O-CG2 3.43Å; L557-V561 PolarHBondContact O-N 3.23Å; L557-V569 HydrophobicContact CD1-CB 4.33Å; L557-V569 HydrophobicContact CD1-CG1 3.92Å; L557-V569 WeakPolarHBondContact CD1-O 3.41Å; L557-L572 HydrophobicContact CD1-CB 3.86Å
558	D	91.8	Very high	91	Very high	68 Å²	68	67.4 Å²	67.4	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-41.1	178.5	-57.7	-34.5	0	0	0	110.2	N554 I555 V561 Q562	N554-D558 WeakPolarHBondContact CA-OD2 3.36Å; N554-D558 HydrophobicContact CB-CB 4.09Å; I555-D558 HydrophobicContact CG1-CB 4.4Å; I555-D558 WeakPolarHBondContact CG1-OD2 3.27Å; I555-D558 PolarHBondContact N-OD2 3.3Å; I555-D558 WeakPolarHBondContact O-CB 3.45Å; I555-D558 PolarHBondContact O-N 2.96Å; D558-V561 PolarHBondContact O-N 3.02Å; D558-Q562 VanDerWaalsContact O-CB 3.27Å; D558-Q562 WeakPolarHBondContact O-CB 3.41Å; D558-Q562 PolarHBondContact O-N 3.35Å
559	D	90.7	Very high	91.1	Very high	11 Å²	11	67.8 Å²	67.8	6%	0.059	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-50.1	172.6	-71.7	-19.1	0	0	0	110.9	H524 A528 I555 L557 V561 Q562 F563	H524-D559 WeakPolarHBondContact CB-OD2 3.49Å; H524-D559 IonicContact CD2-OD2 3.39Å; H524-D559 PolarHBondContact CD2-OD2 2.91Å; H524-D559 IonicContact CG-OD2 3.81Å; A528-D559 HydrophobicContact CB-CB 4.29Å; I555-D559 PolarHBondContact O-N 3.33Å; L557-D559 VanDerWaalsContact C-N 3.33Å; D559-V561 VanDerWaalsContact C-N 3.27Å; D559-V561 PolarHBondContact O-N 3.27Å; D559-Q562 PolarHBondContact O-N 3Å; D559-F563 VanDerWaalsContact O-CD2 3.24Å; D559-F563 WeakPolarHBondContact O-CD2 3.36Å; D559-F563 PolarHBondContact O-N 3.41Å
560	A	92.8	Very high	91.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-35.1	177.8	0	0	0	0	0	113.1	A527 P556 L557 N564 H565 V568 V569 L572	A527-A560 HydrophobicContact CB-CB 4.22Å; P556-A560 PolarHBondContact O-N 3.35Å; P556-A560 VanDerWaalsContact O-N 3.08Å; L557-A560 PolarHBondContact O-N 2.99Å; A560-N564 PolarHBondContact O-N 3.42Å; A560-H565 PolarHBondContact O-N 3.2Å; A560-V568 HydrophobicContact CB-CB 4.39Å; A560-V568 HydrophobicContact CB-CG1 3.9Å; A560-V569 HydrophobicContact CB-CG2 3.71Å; A560-L572 HydrophobicContact CB-CD1 3.99Å
561	V	91.8	Very high	91.1	Very high	85 Å²	85	69.9 Å²	69.9	52%	0.515	34%	0.339	S	S	.	.	H	α-helix	trans	-71.3	-44.9	174.4	170.9	0	0	0	0	111	L557 D558 D559 F563 N564 V569	L557-V561 WeakPolarHBondContact O-CG2 3.43Å; L557-V561 PolarHBondContact O-N 3.23Å; D558-V561 PolarHBondContact O-N 3.02Å; D559-V561 VanDerWaalsContact C-N 3.27Å; D559-V561 PolarHBondContact O-N 3.27Å; V561-F563 VanDerWaalsContact C-N 3.34Å; V561-F563 PolarHBondContact O-N 2.98Å; V561-N564 PolarHBondContact O-N 2.78Å; V561-V569 HydrophobicContact CG2-CG1 4.07Å; V561-V569 HydrophobicContact CG2-CG2 3.7Å
562	Q	91.3	Very high	90.9	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-60.9	-40.4	-179.2	178.1	174.7	-29.1	0	0	112.2	D558 D559 N564	D558-Q562 VanDerWaalsContact O-CB 3.27Å; D558-Q562 WeakPolarHBondContact O-CB 3.41Å; D558-Q562 PolarHBondContact O-N 3.35Å; D559-Q562 PolarHBondContact O-N 3Å; Q562-N564 VanDerWaalsContact C-N 3.34Å
563	F	90.9	Very high	90.9	Very high	107 Å²	107	59.6 Å²	59.6	47%	0.469	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.5	176.1	-63.1	-73.6	0	0	0	113.6	A528 D559 V561 H565	A528-F563 HydrophobicContact CB-CD2 3.69Å; A528-F563 HydrophobicContact CB-CE2 3.78Å; A528-F563 WeakPolarHBondContact O-CB 3.36Å; D559-F563 VanDerWaalsContact O-CD2 3.24Å; D559-F563 WeakPolarHBondContact O-CD2 3.36Å; D559-F563 PolarHBondContact O-N 3.41Å; V561-F563 VanDerWaalsContact C-N 3.34Å; V561-F563 PolarHBondContact O-N 2.98Å; F563-H565 PolarHBondContact O-N 3.42Å
564	N	92.1	Very high	90.9	Very high	116 Å²	116	63.1 Å²	63.1	62%	0.62	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	35.7	173.2	-167	38.3	0	0	0	115.1	A560 V561 Q562 L566	A560-N564 PolarHBondContact O-N 3.42Å; V561-N564 PolarHBondContact O-N 2.78Å; Q562-N564 VanDerWaalsContact C-N 3.34Å; N564-L566 PolarHBondContact O-N 3.15Å; N564-L566 VanDerWaalsContact O-N 3.17Å
565	H	93.1	Very high	90.7	Very high	61 Å²	61	62.3 Å²	62.3	28%	0.282	31%	0.309	S	S	.	.			trans	-88.6	69.1	179	-66.9	-57.7	0	0	0	112.5	A527 A528 A560 F563 E567 V568 V569	A527-H565 PolarHBondContact O-CD2 2.93Å; A528-H565 PolarHBondContact O-CD2 3.17Å; A528-H565 PolarHBondContact O-NE2 3.45Å; A528-H565 VanDerWaalsContact O-NE2 3.11Å; A560-H565 PolarHBondContact O-N 3.2Å; F563-H565 PolarHBondContact O-N 3.42Å; H565-E567 PolarHBondContact O-N 2.79Å; H565-V568 HydrophobicContact CB-CB 4.18Å; H565-V568 HydrophobicContact CB-CG2 4.46Å; H565-V568 PolarHBondContact O-N 3.47Å; H565-V569 WeakPolarHBondContact O-CG2 3.38Å; H565-V569 PolarHBondContact O-N 3.27Å
566	L	89.1	Confident	90.4	Very high	113 Å²	113	62.1 Å²	62.1	59%	0.592	31%	0.308	S	S	*	.	H	α-helix	trans	-51.1	-29.7	-172.2	-61.4	176.3	0	0	0	116.3	N564 K570	N564-L566 PolarHBondContact O-N 3.15Å; N564-L566 VanDerWaalsContact O-N 3.17Å; L566-K570 WeakPolarHBondContact O-CG 3.31Å; L566-K570 PolarHBondContact O-N 3.41Å
567	E	87.8	Confident	89.9	Confident	130 Å²	130	67 Å²	67	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-78	-35.4	177.5	-63.6	-168.7	172.4	0	0	112.4	I532 H565 L571	I532-E567 HydrophobicContact CD1-CB 4.15Å; I532-E567 WeakPolarHBondContact CD1-OE2 3.45Å; H565-E567 PolarHBondContact O-N 2.79Å; E567-L571 PolarHBondContact O-N 2.96Å
568	V	90.6	Very high	89.2	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-72.5	-37.2	174.7	172.8	0	0	0	0	111	A527 I532 V535 A560 H565 K570 L571 L572	A527-V568 HydrophobicContact CB-CG1 4.18Å; I532-V568 HydrophobicContact CG1-CG2 3.89Å; V535-V568 HydrophobicContact CG1-CG1 4.27Å; V535-V568 HydrophobicContact CG2-CG1 3.97Å; V535-V568 HydrophobicContact CG2-CG2 4.41Å; A560-V568 HydrophobicContact CB-CB 4.39Å; A560-V568 HydrophobicContact CB-CG1 3.9Å; H565-V568 HydrophobicContact CB-CB 4.18Å; H565-V568 HydrophobicContact CB-CG2 4.46Å; H565-V568 PolarHBondContact O-N 3.47Å; V568-K570 VanDerWaalsContact C-N 3.31Å; V568-K570 PolarHBondContact O-N 2.87Å; V568-L571 PolarHBondContact O-N 3.49Å; V568-L572 HydrophobicContact CG1-CD1 3.67Å; V568-L572 HydrophobicContact CG1-CG 4.2Å; V568-L572 WeakPolarHBondContact O-CB 3.47Å; V568-L572 WeakPolarHBondContact O-CG 3.34Å; V568-L572 PolarHBondContact O-N 3.36Å
569	V	90.9	Very high	88.6	Confident	22 Å²	22	67.7 Å²	67.7	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-54.1	-47.1	173.1	172.1	0	0	0	0	111.1	L557 A560 V561 H565 L572 Q573	L557-V569 HydrophobicContact CD1-CB 4.33Å; L557-V569 HydrophobicContact CD1-CG1 3.92Å; L557-V569 WeakPolarHBondContact CD1-O 3.41Å; A560-V569 HydrophobicContact CB-CG2 3.71Å; V561-V569 HydrophobicContact CG2-CG1 4.07Å; V561-V569 HydrophobicContact CG2-CG2 3.7Å; H565-V569 WeakPolarHBondContact O-CG2 3.38Å; H565-V569 PolarHBondContact O-N 3.27Å; V569-L572 PolarHBondContact O-N 3.31Å; V569-Q573 VanDerWaalsContact O-CB 3.31Å; V569-Q573 WeakPolarHBondContact O-CB 3.24Å; V569-Q573 PolarHBondContact O-N 2.84Å
570	K	91.1	Very high	87.6	Confident	133 Å²	133	70.4 Å²	70.4	58%	0.578	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-50.4	177	-68.7	172.8	-174	176.2	0	112	L566 V568 L572 Q573 D574	L566-K570 WeakPolarHBondContact O-CG 3.31Å; L566-K570 PolarHBondContact O-N 3.41Å; V568-K570 VanDerWaalsContact C-N 3.31Å; V568-K570 PolarHBondContact O-N 2.87Å; K570-L572 VanDerWaalsContact C-N 3.31Å; K570-L572 PolarHBondContact O-N 2.71Å; K570-Q573 PolarHBondContact O-N 2.97Å; K570-D574 WeakPolarHBondContact O-CB 3.25Å; K570-D574 VanDerWaalsContact O-CG 3.26Å; K570-D574 PolarHBondContact O-N 3.04Å
571	L	90.3	Very high	86.1	Confident	52 Å²	52	75.6 Å²	75.6	27%	0.272	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-39	-180	-72.4	168.7	0	0	0	112.8	I532 K536 E567 V568 Y575	I532-L571 HydrophobicContact CG2-CD1 3.85Å; K536-L571 HydrophobicContact CG-CD1 4.23Å; E567-L571 PolarHBondContact O-N 2.96Å; V568-L571 PolarHBondContact O-N 3.49Å; L571-Y575 VanDerWaalsContact O-CB 3.29Å; L571-Y575 WeakPolarHBondContact O-CB 3.1Å; L571-Y575 PolarHBondContact O-N 3.33Å; L571-Y575 VanDerWaalsContact O-N 3.13Å
572	L	88.8	Confident	84.6	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-71.1	-38.8	176.6	-76.2	168.5	0	0	0	112.1	L523 A527 V535 I539 P556 L557 A560 V568 V569 K570 Y575 Q576	L523-L572 HydrophobicContact CD1-CD2 4.1Å; L523-L572 HydrophobicContact CD2-CD2 4.14Å; L523-L572 HydrophobicContact CG-CD2 4.21Å; A527-L572 HydrophobicContact CB-CD1 3.94Å; V535-L572 HydrophobicContact CG1-CD2 4.41Å; V535-L572 HydrophobicContact CG1-CG 4.41Å; I539-L572 HydrophobicContact CD1-CD2 3.89Å; P556-L572 HydrophobicContact CB-CD1 4.28Å; P556-L572 HydrophobicContact CB-CD2 4.35Å; P556-L572 WeakPolarHBondContact O-CD1 3.3Å; L557-L572 HydrophobicContact CD1-CB 3.86Å; A560-L572 HydrophobicContact CB-CD1 3.99Å; V568-L572 HydrophobicContact CG1-CD1 3.67Å; V568-L572 HydrophobicContact CG1-CG 4.2Å; V568-L572 WeakPolarHBondContact O-CB 3.47Å; V568-L572 WeakPolarHBondContact O-CG 3.34Å; V568-L572 PolarHBondContact O-N 3.36Å; V569-L572 PolarHBondContact O-N 3.31Å; K570-L572 VanDerWaalsContact C-N 3.31Å; K570-L572 PolarHBondContact O-N 2.71Å; L572-Y575 PolarHBondContact O-N 3.43Å; L572-Q576 WeakPolarHBondContact O-CG 3.4Å; L572-Q576 PolarHBondContact O-N 3.02Å
573	Q	88.6	Confident	83.1	Confident	100 Å²	100	72.1 Å²	72.1	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-68.9	-47.1	178.8	-170.2	159.8	19.2	0	0	111.7	V569 K570 Y575 Q576 D577	V569-Q573 VanDerWaalsContact O-CB 3.31Å; V569-Q573 WeakPolarHBondContact O-CB 3.24Å; V569-Q573 PolarHBondContact O-N 2.84Å; K570-Q573 PolarHBondContact O-N 2.97Å; Q573-Y575 PolarHBondContact O-N 2.68Å; Q573-Q576 PolarHBondContact O-N 3.2Å; Q573-D577 PolarHBondContact O-N 3.19Å; Q573-D577 VanDerWaalsContact O-N 3.11Å
574	D	87.9	Confident	81.6	Confident	110 Å²	110	70.7 Å²	70.7	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-56.2	-39.8	172.8	-67.4	-22.1	0	0	0	111.2	K570 S578	K570-D574 WeakPolarHBondContact O-CB 3.25Å; K570-D574 VanDerWaalsContact O-CG 3.26Å; K570-D574 PolarHBondContact O-N 3.04Å; D574-S578 PolarHBondContact O-N 2.83Å
575	Y	87.8	Confident	80	Confident	24 Å²	24	71.7 Å²	71.7	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-70.9	-41.4	177.4	178.8	-129.4	0	0	0	112.9	I539 V544 P546 L571 L572 Q573 D577 S578 Y579	I539-Y575 HydrophobicContact CB-CD1 4.19Å; I539-Y575 HydrophobicContact CB-CE1 4.26Å; I539-Y575 HydrophobicContact CB-CG 4.36Å; I539-Y575 HydrophobicContact CD1-CD1 3.78Å; I539-Y575 HydrophobicContact CD1-CE1 4.48Å; I539-Y575 HydrophobicContact CD1-CG 4.13Å; I539-Y575 HydrophobicContact CG1-CD1 3.61Å; I539-Y575 HydrophobicContact CG1-CE1 3.82Å; I539-Y575 HydrophobicContact CG1-CG 4.16Å; I539-Y575 HydrophobicContact CG2-CD1 3.71Å; I539-Y575 HydrophobicContact CG2-CD2 3.41Å; I539-Y575 VanDerWaalsContact CG2-CD2 3.41Å; I539-Y575 HydrophobicContact CG2-CE1 3.98Å; I539-Y575 HydrophobicContact CG2-CE2 3.71Å; I539-Y575 HydrophobicContact CG2-CG 3.4Å; I539-Y575 VanDerWaalsContact CG2-CG 3.4Å; V544-Y575 WeakPolarHBondContact O-CE1 3.31Å; V544-Y575 PolarHBondContact O-OH 3.19Å; P546-Y575 HydrophobicContact CB-CD1 3.74Å; P546-Y575 HydrophobicContact CB-CE1 3.79Å; P546-Y575 HydrophobicContact CG-CD1 3.85Å; P546-Y575 HydrophobicContact CG-CE1 3.67Å; L571-Y575 VanDerWaalsContact O-CB 3.29Å; L571-Y575 WeakPolarHBondContact O-CB 3.1Å; L571-Y575 PolarHBondContact O-N 3.33Å; L571-Y575 VanDerWaalsContact O-N 3.13Å; L572-Y575 PolarHBondContact O-N 3.43Å; Q573-Y575 PolarHBondContact O-N 2.68Å; Y575-D577 VanDerWaalsContact C-N 3.34Å; Y575-D577 PolarHBondContact O-N 3.5Å; Y575-S578 WeakPolarHBondContact CD2-OG 3.28Å; Y575-S578 CarbonylContact O-C 3.56Å; Y575-S578 VanDerWaalsContact O-N 3.15Å; Y575-S578 PolarHBondContact O-N 2.88Å; Y575-S578 PolarHBondContact O-OG 3.14Å; Y575-Y579 HydrophobicContact CE1-CD2 4.42Å; Y575-Y579 PolarHBondContact O-N 2.7Å; Y575-Y579 WeakPolarHBondContact O-CB 3.21Å; Y575-Y579 HydrophobicContact CE2-CD2 4.18Å; Y575-Y579 AromaticContact CZ-CD2 3.81Å
576	Q	86.3	Confident	78.4	Confident	21 Å²	21	71.3 Å²	71.3	10%	0.098	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-44	176.3	-80.7	-179.3	-12.8	0	0	112.3	P546 F547 I555 L572 Q573 S578 Y579 T580	P546-Q576 HydrophobicContact CB-CG 3.87Å; P546-Q576 HydrophobicContact CG-CG 4.03Å; P546-Q576 PolarHBondContact O-NE2 3.2Å; F547-Q576 HydrophobicContact CD1-CG 4.49Å; F547-Q576 HydrophobicContact CE1-CB 4.19Å; F547-Q576 HydrophobicContact CE1-CG 3.74Å; F547-Q576 HydrophobicContact CE2-CG 4.46Å; F547-Q576 HydrophobicContact CZ-CB 3.83Å; F547-Q576 HydrophobicContact CZ-CG 3.73Å; I555-Q576 VanDerWaalsContact CD1-NE2 3.27Å; L572-Q576 WeakPolarHBondContact O-CG 3.4Å; L572-Q576 PolarHBondContact O-N 3.02Å; Q573-Q576 PolarHBondContact O-N 3.2Å; Q576-S578 VanDerWaalsContact C-N 3.32Å; Q576-S578 PolarHBondContact O-N 2.71Å; Q576-Y579 PolarHBondContact O-N 2.9Å; Q576-T580 PolarHBondContact O-N 3.11Å; Q576-T580 PolarHBondContact O-OG1 3.05Å
577	D	81.5	Confident	76.9	Confident	103 Å²	103	72.5 Å²	72.5	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-60.4	-44.3	175.1	-73.2	-18	0	0	0	110.6	Q573 Y575 Y579 L581	Q573-D577 PolarHBondContact O-N 3.19Å; Q573-D577 VanDerWaalsContact O-N 3.11Å; Y575-D577 VanDerWaalsContact C-N 3.34Å; Y575-D577 PolarHBondContact O-N 3.5Å; D577-Y579 PolarHBondContact O-N 3.41Å; D577-L581 PolarHBondContact O-N 2.99Å; D577-L581 WeakPolarHBondContact O-CG 3.27Å
578	S	79.1	Confident	75.5	Confident	62 Å²	62	69.2 Å²	69.2	43%	0.434	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-35.9	177.1	81.2	0	0	0	0	113.9	D574 Y575 Q576 S582	D574-S578 PolarHBondContact O-N 2.83Å; Y575-S578 WeakPolarHBondContact CD2-OG 3.28Å; Y575-S578 CarbonylContact O-C 3.56Å; Y575-S578 VanDerWaalsContact O-N 3.15Å; Y575-S578 PolarHBondContact O-N 2.88Å; Y575-S578 PolarHBondContact O-OG 3.14Å; Q576-S578 VanDerWaalsContact C-N 3.32Å; Q576-S578 PolarHBondContact O-N 2.71Å; S578-S582 PolarHBondContact O-N 3.19Å
579	Y	78.1	Confident	74	Confident	43 Å²	43	71.6 Å²	71.6	17%	0.169	40%	0.397	C	S	.	.	H	α-helix	trans	-70.2	-45.5	-178.2	-169.3	-78.7	0	0	0	110.3	P546 F547 Y575 Q576 D577 L581 S582 D583	P546-Y579 HydrophobicContact CG-CD1 4.47Å; P546-Y579 HydrophobicContact CG-CD2 4.11Å; P546-Y579 HydrophobicContact CG-CG 3.97Å; F547-Y579 HydrophobicContact CD2-CD1 4.16Å; F547-Y579 HydrophobicContact CD2-CE1 4.48Å; F547-Y579 AromaticContact CE2-CD1 3.9Å; F547-Y579 HydrophobicContact CE2-CD1 3.9Å; F547-Y579 HydrophobicContact CE2-CG 4.49Å; Y575-Y579 HydrophobicContact CE1-CD2 4.42Å; Y575-Y579 PolarHBondContact O-N 2.7Å; Y575-Y579 WeakPolarHBondContact O-CB 3.21Å; Y575-Y579 HydrophobicContact CE2-CD2 4.18Å; Y575-Y579 AromaticContact CZ-CD2 3.81Å; Q576-Y579 PolarHBondContact O-N 2.9Å; D577-Y579 PolarHBondContact O-N 3.41Å; Y579-L581 VanDerWaalsContact C-N 3.29Å; Y579-L581 PolarHBondContact O-N 2.79Å; Y579-S582 WeakPolarHBondContact O-CA 3.49Å; Y579-S582 WeakPolarHBondContact O-CB 3.33Å; Y579-S582 PolarHBondContact O-N 3.29Å; Y579-S582 PolarHBondContact O-OG 2.87Å; Y579-D583 PolarHBondContact O-N 3.08Å; Y579-D583 WeakPolarHBondContact CE1-OD2 3.23Å
580	T	69.8	Low	72.5	Confident	67 Å²	67	73.4 Å²	73.4	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-36	179.4	-46.2	0	0	0	0	112	Q576 S582 T584	Q576-T580 PolarHBondContact O-N 3.11Å; Q576-T580 PolarHBondContact O-OG1 3.05Å; T580-S582 VanDerWaalsContact C-N 3.29Å; T580-S582 PolarHBondContact O-N 3.3Å; T580-T584 WeakPolarHBondContact O-CG2 3.43Å; T580-T584 PolarHBondContact O-N 3.23Å; T580-T584 PolarHBondContact O-OG1 3.27Å
581	L	61.6	Low	71	Confident	109 Å²	109	72.5 Å²	72.5	57%	0.571	41%	0.413	S	S	*	.	H	α-helix	trans	-67.8	-26.3	172.2	-71.7	168.8	0	0	0	113.2	D577 Y579 T584 Q585	D577-L581 PolarHBondContact O-N 2.99Å; D577-L581 WeakPolarHBondContact O-CG 3.27Å; Y579-L581 VanDerWaalsContact C-N 3.29Å; Y579-L581 PolarHBondContact O-N 2.79Å; L581-T584 PolarHBondContact O-OG1 3.39Å; L581-Q585 VanDerWaalsContact O-CG 3.23Å; L581-Q585 WeakPolarHBondContact O-CG 3.31Å
582	S	60.7	Low	69.6	Low	60 Å²	60	72.4 Å²	72.4	42%	0.42	42%	0.419	S	S	.	.	H	α-helix	trans	-84.4	-38.7	179.1	75.1	0	0	0	0	113.3	S578 Y579 T580 Q585 A586	S578-S582 PolarHBondContact O-N 3.19Å; Y579-S582 WeakPolarHBondContact O-CA 3.49Å; Y579-S582 WeakPolarHBondContact O-CB 3.33Å; Y579-S582 PolarHBondContact O-N 3.29Å; Y579-S582 PolarHBondContact O-OG 2.87Å; T580-S582 VanDerWaalsContact C-N 3.29Å; T580-S582 PolarHBondContact O-N 3.3Å; S582-Q585 PolarHBondContact O-N 2.87Å; S582-A586 PolarHBondContact O-N 3.05Å; S582-A586 WeakPolarHBondContact O-CB 3.33Å
583	D	59.3	Low	68.3	Low	78 Å²	78	77.2 Å²	77.2	42%	0.417	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-45.5	177.1	-112	-12.2	0	0	0	110.9	Y579 Q585 A586 E587	Y579-D583 PolarHBondContact O-N 3.08Å; Y579-D583 WeakPolarHBondContact CE1-OD2 3.23Å; D583-Q585 VanDerWaalsContact C-N 3.25Å; D583-Q585 PolarHBondContact O-N 3.01Å; D583-A586 WeakPolarHBondContact O-CB 3.49Å; D583-A586 PolarHBondContact O-N 2.92Å; D583-E587 PolarHBondContact O-N 3.46Å
584	T	59.8	Low	67	Low	78 Å²	78	75.2 Å²	75.2	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-29.7	177	48	0	0	0	0	113.3	T580 L581 A588	T580-T584 WeakPolarHBondContact O-CG2 3.43Å; T580-T584 PolarHBondContact O-N 3.23Å; T580-T584 PolarHBondContact O-OG1 3.27Å; L581-T584 PolarHBondContact O-OG1 3.39Å; T584-A588 WeakPolarHBondContact O-CB 3.09Å; T584-A588 PolarHBondContact O-N 2.94Å
585	Q	57.6	Low	65.6	Low	136 Å²	136	75.1 Å²	75.1	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-76.1	-34.9	171.4	-72.9	175.5	18.2	0	0	112.5	L581 S582 D583 A589	L581-Q585 VanDerWaalsContact O-CG 3.23Å; L581-Q585 WeakPolarHBondContact O-CG 3.31Å; S582-Q585 PolarHBondContact O-N 2.87Å; D583-Q585 VanDerWaalsContact C-N 3.25Å; D583-Q585 PolarHBondContact O-N 3.01Å; Q585-A589 VanDerWaalsContact O-CB 3.31Å; Q585-A589 WeakPolarHBondContact O-CB 3.41Å; Q585-A589 PolarHBondContact O-N 2.96Å
586	A	59.3	Low	64.4	Low	54 Å²	54	80.3 Å²	80.3	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-69.3	-42.9	176.9	0	0	0	0	0	112.2	S582 D583 A589 A590	S582-A586 PolarHBondContact O-N 3.05Å; S582-A586 WeakPolarHBondContact O-CB 3.33Å; D583-A586 WeakPolarHBondContact O-CB 3.49Å; D583-A586 PolarHBondContact O-N 2.92Å; A586-A589 PolarHBondContact O-N 3.24Å; A586-A590 PolarHBondContact O-N 3.1Å; A586-A590 WeakPolarHBondContact O-CB 3.35Å
587	E	59	Low	63	Low	138 Å²	138	84 Å²	84	65%	0.645	48%	0.481	S	S	*	.	H	α-helix	trans	-62	-45.9	173.7	-71.3	-172.3	142.1	0	0	111.5	D583 A589 A590 E591	D583-E587 PolarHBondContact O-N 3.46Å; E587-A589 PolarHBondContact O-N 3.46Å; E587-A589 VanDerWaalsContact C-N 3.33Å; E587-A590 PolarHBondContact O-N 3.29Å; E587-E591 PolarHBondContact O-N 3.47Å
588	A	58.7	Low	61.7	Low	61 Å²	61	85.1 Å²	85.1	50%	0.504	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-37.9	176.5	0	0	0	0	0	112.8	T584 A592	T584-A588 WeakPolarHBondContact O-CB 3.09Å; T584-A588 PolarHBondContact O-N 2.94Å; A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 3.47Å
589	A	58.5	Low	60.7	Low	52 Å²	52	89.5 Å²	89.5	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-69.9	-37.2	175.2	0	0	0	0	0	112.5	Q585 A586 E587 A592 L593	Q585-A589 VanDerWaalsContact O-CB 3.31Å; Q585-A589 WeakPolarHBondContact O-CB 3.41Å; Q585-A589 PolarHBondContact O-N 2.96Å; A586-A589 PolarHBondContact O-N 3.24Å; E587-A589 PolarHBondContact O-N 3.46Å; E587-A589 VanDerWaalsContact C-N 3.33Å; A589-A592 PolarHBondContact O-N 2.73Å; A589-L593 WeakPolarHBondContact O-CB 3.37Å; A589-L593 PolarHBondContact O-N 3.02Å
590	A	58.3	Low	59.5	Low	60 Å²	60	91.8 Å²	91.8	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-68.1	-38.9	175.7	0	0	0	0	0	112.3	A586 E587 S594	A586-A590 PolarHBondContact O-N 3.1Å; A586-A590 WeakPolarHBondContact O-CB 3.35Å; E587-A590 PolarHBondContact O-N 3.29Å; A590-S594 PolarHBondContact O-N 2.82Å
591	E	60.6	Low	58.6	Low	114 Å²	114	96.5 Å²	96.5	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-38.9	170.3	-94.5	-148.9	158.9	0	0	112.8	E587 S594 K595	E587-E591 PolarHBondContact O-N 3.47Å; E591-S594 PolarHBondContact O-N 2.96Å; E591-S594 PolarHBondContact O-OG 3.16Å; E591-K595 WeakPolarHBondContact O-CG 3.3Å; E591-K595 PolarHBondContact O-N 3.44Å; E591-K595 VanDerWaalsContact O-N 3.09Å; E591-K595 IonicContact OE2-NZ 2.83Å; E591-K595 PolarHBondContact OE2-NZ 3.33Å
592	A	59.7	Low	57.7	Low	49 Å²	49	100.5 Å²	100.5	41%	0.405	57%	0.57	S	S	.	*	H	α-helix	trans	-64.3	-45.7	176.6	0	0	0	0	0	111.2	A588 A589 S594 K595 E596	A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 3.47Å; A589-A592 PolarHBondContact O-N 2.73Å; A592-S594 VanDerWaalsContact C-N 3.33Å; A592-S594 PolarHBondContact O-N 3.09Å; A592-K595 PolarHBondContact O-N 3.29Å; A592-E596 PolarHBondContact O-N 2.87Å
593	L	62	Low	57.6	Low	102 Å²	102	102.5 Å²	102.5	53%	0.534	58%	0.578	S	S	.	*	H	α-helix	trans	-62.9	-34.5	175.4	-103.7	146.5	0	0	0	113.1	A589 N597	A589-L593 WeakPolarHBondContact O-CB 3.37Å; A589-L593 PolarHBondContact O-N 3.02Å; L593-N597 PolarHBondContact O-N 2.92Å; L593-N597 VanDerWaalsContact O-N 3.15Å; L593-N597 PolarHBondContact O-ND2 3.05Å; L593-N597 WeakPolarHBondContact O-CB 3.5Å
594	S	60.6	Low	57.5	Low	58 Å²	58	103.8 Å²	103.8	41%	0.406	59%	0.586	S	S	.	*	H	α-helix	trans	-70.5	-35.7	175.2	74	0	0	0	0	112	A590 E591 A592 L598	A590-S594 PolarHBondContact O-N 2.82Å; E591-S594 PolarHBondContact O-N 2.96Å; E591-S594 PolarHBondContact O-OG 3.16Å; A592-S594 VanDerWaalsContact C-N 3.33Å; A592-S594 PolarHBondContact O-N 3.09Å; S594-L598 WeakPolarHBondContact O-CD1 3.39Å; S594-L598 PolarHBondContact O-N 3.42Å; S594-L598 VanDerWaalsContact O-N 3.16Å
595	K	60	Low	57.4	Low	109 Å²	109	105.2 Å²	105.2	47%	0.474	59%	0.592	S	S	.	*	H	α-helix	trans	-68.8	-45.5	174.8	-71.9	163.9	-174.1	155.3	0	112.1	E591 A592 N597 L598 E599	E591-K595 WeakPolarHBondContact O-CG 3.3Å; E591-K595 PolarHBondContact O-N 3.44Å; E591-K595 VanDerWaalsContact O-N 3.09Å; E591-K595 IonicContact OE2-NZ 2.83Å; E591-K595 PolarHBondContact OE2-NZ 3.33Å; A592-K595 PolarHBondContact O-N 3.29Å; K595-N597 VanDerWaalsContact C-N 3.34Å; K595-N597 PolarHBondContact O-N 3.45Å; K595-L598 PolarHBondContact O-N 3.11Å; K595-L598 VanDerWaalsContact O-N 3.16Å; K595-E599 PolarHBondContact O-N 3.16Å
596	E	61	Low	57.4	Low	132 Å²	132	103.4 Å²	103.4	62%	0.617	59%	0.589	S	S	*	*	H	α-helix	trans	-59.8	-41.7	174.7	-75.8	-173.2	143.2	0	0	112.5	A592 L598 E599 S600	A592-E596 PolarHBondContact O-N 2.87Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 3.01Å; E596-E599 PolarHBondContact O-N 2.91Å; E596-S600 WeakPolarHBondContact O-CB 3.47Å; E596-S600 PolarHBondContact O-N 2.8Å
597	N	58.3	Low	57.2	Low	98 Å²	98	106.5 Å²	106.5	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-64.4	-36.2	176.6	-78.5	-55.8	0	0	0	112.3	L593 K595 S600	L593-N597 PolarHBondContact O-N 2.92Å; L593-N597 VanDerWaalsContact O-N 3.15Å; L593-N597 PolarHBondContact O-ND2 3.05Å; L593-N597 WeakPolarHBondContact O-CB 3.5Å; K595-N597 VanDerWaalsContact C-N 3.34Å; K595-N597 PolarHBondContact O-N 3.45Å; N597-S600 PolarHBondContact O-OG 2.82Å
598	L	54.6	Low	57.1	Low	127 Å²	127	104.4 Å²	104.4	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-70.5	-40.1	174.6	-102	132.5	0	0	0	112.8	S594 K595 E596 S600 M601	S594-L598 WeakPolarHBondContact O-CD1 3.39Å; S594-L598 PolarHBondContact O-N 3.42Å; S594-L598 VanDerWaalsContact O-N 3.16Å; K595-L598 PolarHBondContact O-N 3.11Å; K595-L598 VanDerWaalsContact O-N 3.16Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 3.01Å; L598-S600 VanDerWaalsContact C-N 3.29Å; L598-S600 PolarHBondContact O-N 3.48Å; L598-M601 PolarHBondContact O-N 2.92Å
599	E	56.8	Low	57	Low	154 Å²	154	107.5 Å²	107.5	72%	0.72	60%	0.602	S	S	*	*	H	α-helix	trans	-69.7	-26	176	-71.1	-178	174.6	0	0	112.5	K595 E596 M601	K595-E599 PolarHBondContact O-N 3.16Å; E596-E599 PolarHBondContact O-N 2.91Å; E599-M601 PolarHBondContact O-N 2.83Å
600	S	53.1	Low	56.9	Low	91 Å²	91	111.8 Å²	111.8	64%	0.636	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-4.2	173.5	79	0	0	0	0	115.2	E596 N597 L598	E596-S600 WeakPolarHBondContact O-CB 3.47Å; E596-S600 PolarHBondContact O-N 2.8Å; N597-S600 PolarHBondContact O-OG 2.82Å; L598-S600 VanDerWaalsContact C-N 3.29Å; L598-S600 PolarHBondContact O-N 3.48Å
601	M	50.3	Low	56.8	Low	167 Å²	167	116.1 Å²	116.1	82%	0.823	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	12.7	-177	-85.5	-174	56.6	0	0	114.4	L598 E599	L598-M601 PolarHBondContact O-N 2.92Å; E599-M601 PolarHBondContact O-N 2.83Å
602	V	44.4	Very low	56.4	Low	192 Å²	192	116.3 Å²	116.3	100%	1.164	63%	0.633	S	S	*	*			trans	-114	0	-179.9	-178.2	0	0	0	0	111.8

Retrieved 602 of 602 residues in 1112.8 ms (Link to these results)

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