A0A087XJ13_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087XJ13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 646 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	29.2	Very low	236 Å²	236	136 Å²	136	100%	1.163	77%	0.773	S	S	*	*				0	62.7	0	-65.4	-170.5	-178.7	0	0	105.2
2	D	29.4	Very low	29	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	78%	0.782	S	S	*	*				55.6	110.2	73.7	-95.8	33	0	0	0	108.4
3	W	28.6	Very low	28.8	Very low	203 Å²	203	134.8 Å²	134.8	77%	0.769	77%	0.773	S	S	*	*			cis	-153.7	143.4	21.3	-80.7	73.7	0	0	0	108.3
4	N	30.6	Very low	28.6	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	78%	0.78	S	S	*	*				57.7	132	83.9	-118.6	28.7	0	0	0	112.4
5	E	31.5	Very low	28.5	Very low	161 Å²	161	141.1 Å²	141.1	75%	0.752	78%	0.777	S	S	*	*			cis	-157.2	147.7	36.9	-72.4	173.3	156.2	0	0	108.2
6	G	28	Very low	28.3	Very low	83 Å²	83	136.8 Å²	136.8	86%	0.856	77%	0.774	S	S	*	*				83.5	128.4	77.6	0	0	0	0	0	110.3
7	G	27.8	Very low	28.1	Very low	67 Å²	67	135.1 Å²	135.1	69%	0.691	77%	0.772	S	S	*	*			cis	167.1	167.8	6.3	0	0	0	0	0	108.1
8	N	28.7	Very low	27.9	Very low	165 Å²	165	136.4 Å²	136.4	88%	0.882	77%	0.769	S	S	*	*			trans	67.4	135.1	160.5	-61.5	-12.9	0	0	0	118.7
9	G	26.9	Very low	27.9	Very low	56 Å²	56	139.1 Å²	139.1	58%	0.577	78%	0.775	S	S	*	*			cis	163.8	156.4	2.8	0	0	0	0	0	111
10	H	28.5	Very low	27.8	Very low	179 Å²	179	135.7 Å²	135.7	83%	0.829	77%	0.772	S	S	*	*			trans	61.5	153.4	150.1	-57	-65.3	0	0	0	119.7
11	S	26.1	Very low	27.8	Very low	80 Å²	80	137 Å²	137	56%	0.559	78%	0.777	S	S	*	*			cis	-179.3	154.4	-34.9	52.7	0	0	0	0	105.8
12	H	27.3	Very low	27.4	Very low	191 Å²	191	130.7 Å²	130.7	88%	0.884	75%	0.753	S	S	*	*			trans	78.6	132.6	153.4	-63.4	-56.1	0	0	0	122.9
13	G	26.6	Very low	27.1	Very low	65 Å²	65	128.1 Å²	128.1	67%	0.67	76%	0.759	S	S	*	*			trans	137.7	85.4	149.3	0	0	0	0	0	111.7
14	R	25.7	Very low	27	Very low	228 Å²	228	126 Å²	126	86%	0.86	76%	0.757	S	S	*	*				54.2	134.5	89.4	-77.6	-169.5	177.8	178.7	2.3	112.4
15	D	26.8	Very low	26.8	Very low	137 Å²	137	125.5 Å²	125.5	73%	0.733	76%	0.764	S	S	*	*			cis	-168.3	151.1	7.5	-93.2	-34	0	0	0	107.9
16	G	25.4	Very low	26.5	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	76%	0.763	S	S	*	*			trans	54.1	152.6	147.2	0	0	0	0	0	121.6
17	C	25.5	Very low	26.4	Very low	109 Å²	109	126.9 Å²	126.9	74%	0.736	76%	0.761	S	S	*	*			cis	-173	147.8	-3.4	-102.8	0	0	0	0	108.3
18	H	24.8	Very low	26.3	Very low	158 Å²	158	132.3 Å²	132.3	73%	0.731	77%	0.768	S	S	*	*			trans	80	141.5	144.7	-67.8	-46.5	0	0	0	125
19	H	27.8	Very low	26.1	Very low	188 Å²	188	127.3 Å²	127.3	87%	0.87	76%	0.755	S	S	*	*			trans	79	131.1	165.1	-51.6	-62.9	0	0	0	117.2
20	G	25.9	Very low	26.2	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	77%	0.768	S	S	*	*			cis	175.6	140.8	-2.6	0	0	0	0	0	108.7
21	N	26.8	Very low	25.9	Very low	165 Å²	165	134.2 Å²	134.2	88%	0.882	77%	0.773	S	S	*	*			trans	40.2	132.9	165.5	-94.7	-1	0	0	0	123.7
22	P	25.8	Very low	25.8	Very low	102 Å²	102	135.3 Å²	135.3	66%	0.662	79%	0.787	S	S	*	*			trans	-90.8	135.3	168	36.1	-28.6	0	0	0	111.6
23	G	24.9	Very low	25.7	Very low	81 Å²	81	131 Å²	131	84%	0.835	78%	0.784	S	S	*	*			trans	-111.3	100	167.4	0	0	0	0	0	109.9
24	H	25.8	Very low	25.5	Very low	160 Å²	160	132.4 Å²	132.4	74%	0.741	79%	0.79	S	S	*	*			trans	-81.7	119	170.3	-77.2	-71.2	0	0	0	109.8
25	S	25.6	Very low	25.5	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	79%	0.793	S	S	*	*			trans	-100.8	117.8	162.2	51.4	0	0	0	0	109.3
26	H	25.7	Very low	25.2	Very low	156 Å²	156	128.8 Å²	128.8	72%	0.722	80%	0.796	S	S	*	*			trans	-86.1	112	176.5	-75.7	-77.2	0	0	0	109.9
27	S	25.5	Very low	25	Very low	116 Å²	116	129 Å²	129	81%	0.811	80%	0.799	S	S	*	*			trans	-90.4	110.7	166.5	56.5	0	0	0	0	109.8	G29	S27-G29 PolarHBondContact O-N 3.28Å
28	H	25.9	Very low	24.8	Very low	182 Å²	182	133 Å²	133	84%	0.843	81%	0.809	S	S	*	*			trans	-86.7	95.6	170.9	-78.4	-73.6	0	0	0	110.3
29	G	25.4	Very low	24.7	Very low	59 Å²	59	131.2 Å²	131.2	61%	0.608	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.4	148.4	160.4	0	0	0	0	0	110.8	S27	S27-G29 PolarHBondContact O-N 3.28Å
30	P	27.7	Very low	24.5	Very low	132 Å²	132	129.8 Å²	129.8	86%	0.857	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.7	133.4	174.8	28.2	-29.5	0	0	0	110.9
31	R	23.5	Very low	24.4	Very low	249 Å²	249	135.5 Å²	135.5	94%	0.94	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.2	130	-179.1	-77.6	175.3	166.9	169.3	-4.5	112
32	A	23.8	Very low	24.2	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.4	133.1	165.3	0	0	0	0	0	110.8
33	A	25.4	Very low	24	Very low	101 Å²	101	142.2 Å²	142.2	84%	0.835	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86.4	126	168.4	0	0	0	0	0	109.5
34	A	22.9	Very low	24	Very low	95 Å²	95	144.5 Å²	144.5	79%	0.785	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.8	144.9	-178.1	0	0	0	0	0	112.8
35	F	24.1	Very low	24	Very low	211 Å²	211	141.3 Å²	141.3	93%	0.925	83%	0.831	S	S	*	*			trans	-139.2	127.3	157.2	-101.7	-83.2	0	0	0	110.5
36	G	21.4	Very low	24	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	83%	0.833	S	S	*	*			trans	-74.7	158.7	177.4	0	0	0	0	0	113.3
37	G	20.1	Very low	24.1	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	84%	0.839	S	S	*	*			trans	-88.8	166.9	-165.9	0	0	0	0	0	117.4
38	M	22.4	Very low	24.2	Very low	193 Å²	193	146.4 Å²	146.4	95%	0.951	84%	0.843	S	S	*	*				-174.2	136.9	130	-99.5	-174.7	-167.5	0	0	111.1
39	T	23	Very low	24.2	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	85%	0.85	S	S	*	*			trans	-17.5	125.4	165	51.5	0	0	0	0	121
40	N	23.2	Very low	24.2	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	86%	0.858	S	S	*	*				162.1	130.9	111.1	-100.4	-13.1	0	0	0	114.6
41	M	22.9	Very low	24.3	Very low	189 Å²	189	152 Å²	152	93%	0.931	86%	0.862	S	S	*	*			trans	61.8	131.4	149.5	-123.1	175.1	173.9	0	0	123.2
42	Y	22.7	Very low	24.4	Very low	229 Å²	229	143.1 Å²	143.1	90%	0.898	85%	0.847	S	S	*	*			trans	-68.3	132.3	-173.5	-88.4	-109.7	0	0	0	117.1
43	M	22.9	Very low	24.6	Very low	180 Å²	180	144.4 Å²	144.4	89%	0.887	85%	0.847	S	S	*	*			trans	-176.6	137.1	131.8	-101.9	-142.4	176.9	0	0	110.2	A45	M43-A45 PolarHBondContact O-N 3.44Å
44	P	24.3	Very low	24.7	Very low	128 Å²	128	147 Å²	147	83%	0.831	85%	0.847	S	S	*	*			trans	-83.8	98.6	-179.3	31.9	-29.8	0	0	0	110.8
45	A	24.8	Very low	25.1	Very low	93 Å²	93	147.9 Å²	147.9	77%	0.769	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-91.8	125.4	168.7	0	0	0	0	0	110.2	M43 G47	M43-A45 PolarHBondContact O-N 3.44Å; A45-G47 PolarHBondContact O-N 3.3Å
46	Y	26.4	Very low	25.7	Very low	227 Å²	227	145 Å²	145	89%	0.89	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-50.9	122.9	167.4	-87.9	-100.1	0	0	0	110.5	Q48	Y46-Q48 PolarHBondContact O-N 3.44Å
47	G	27.8	Very low	26	Very low	82 Å²	82	149.7 Å²	149.7	85%	0.845	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-55.6	117.4	-177.9	0	0	0	0	0	113.9	A45	A45-G47 PolarHBondContact O-N 3.3Å
48	Q	26.9	Very low	26.3	Very low	191 Å²	191	151.8 Å²	151.8	89%	0.893	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-86.3	117.6	152.1	-90.8	178	-41.2	0	0	107.9	Y46 G50	Y46-Q48 PolarHBondContact O-N 3.44Å; Q48-G50 PolarHBondContact O-N 3.12Å
49	M	26.8	Very low	26.7	Very low	200 Å²	200	150.7 Å²	150.7	99%	0.985	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-73.9	116.8	160.7	-84.5	180	171.9	0	0	108.8
50	G	25.8	Very low	27.2	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-85.8	147.5	169.4	0	0	0	0	0	111.9	Q48	Q48-G50 PolarHBondContact O-N 3.12Å
51	K	28.3	Very low	27.8	Very low	214 Å²	214	149.2 Å²	149.2	93%	0.93	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79.7	147.8	-170.5	-66.5	170.8	168.7	179.9	0	113.8
52	G	26	Very low	28	Very low	61 Å²	61	148.4 Å²	148.4	63%	0.629	82%	0.819	S	S	*	*			trans	-139	155.9	154.3	0	0	0	0	0	108.9
53	P	28.3	Very low	28.4	Very low	130 Å²	130	143.6 Å²	143.6	84%	0.844	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-78	138.1	-153.5	32	-33.9	0	0	0	113.6
54	D	28.6	Very low	28.7	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-66.5	129	174.6	-60.1	-49.3	0	0	0	110.9
55	P	29.9	Very low	29	Very low	113 Å²	113	146.9 Å²	146.9	73%	0.734	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.8	128.8	153	17.9	-5.3	0	0	0	108.1	M57	P55-M57 PolarHBondContact O-N 3.08Å
56	V	36.4	Very low	29.4	Very low	150 Å²	150	153.5 Å²	153.5	91%	0.909	82%	0.817	S	S	*	*			trans	-50.5	105.9	174.6	177.2	0	0	0	0	109.4
57	M	29	Very low	30.1	Very low	176 Å²	176	147.2 Å²	147.2	87%	0.867	81%	0.806	S	S	*	*			trans	-90.6	125.3	171.2	-108.6	-178.5	172.5	0	0	109.2	P55	P55-M57 PolarHBondContact O-N 3.08Å
58	D	26.1	Very low	30.7	Very low	121 Å²	121	151.3 Å²	151.3	65%	0.647	80%	0.803	S	S	*	*			trans	-48.1	130.5	177.6	-176.7	20.9	0	0	0	112.8	S60	D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 PolarHBondContact OD2-OG 2.63Å
59	I	31	Very low	31.9	Very low	171 Å²	171	149 Å²	149	88%	0.877	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	48	179.8	-49.8	176.8	0	0	0	109.4
60	S	32.5	Very low	33.4	Very low	78 Å²	78	144.6 Å²	144.6	55%	0.545	77%	0.774	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.2	-3.7	175.6	76.2	0	0	0	0	113.2	D58	D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 PolarHBondContact OD2-OG 2.63Å
61	Q	35.6	Very low	35.9	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	77%	0.765	S	S	*	*			trans	-127.3	71	178.2	-63.6	-172.7	6.9	0	0	111.8
62	Q	28.2	Very low	38.6	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	73%	0.731	S	S	*	*			trans	-67.8	138.2	156.2	-73.6	-174.6	-7.6	0	0	108.8	K64	Q62-K64 PolarHBondContact O-N 3.04Å; Q62-K64 VanDerWaalsContact O-N 3.08Å
63	P	31.6	Very low	41.5	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	72%	0.72	S	S	*	*			trans	-61.7	118.6	165.8	26	-29.2	0	0	0	106.8	K65	P63-K65 PolarHBondContact O-N 2.8Å
64	K	29.1	Very low	44.6	Very low	184 Å²	184	135.4 Å²	135.4	80%	0.8	71%	0.71	S	S	*	*			trans	-46.9	111.1	178.7	-77.8	177.4	175.6	178.4	0	109.1	Q62 W66	Q62-K64 PolarHBondContact O-N 3.04Å; Q62-K64 VanDerWaalsContact O-N 3.08Å; K64-W66 PolarHBondContact O-N 3.41Å
65	K	29.8	Very low	47.8	Very low	193 Å²	193	129.3 Å²	129.3	84%	0.839	68%	0.676	S	S	*	*			trans	-38.6	130.3	149.2	-127.1	175.6	179.7	-179.7	0	106.3	P63 S67	P63-K65 PolarHBondContact O-N 2.8Å; K65-S67 PolarHBondContact O-N 2.95Å; K65-S67 PolarHBondContact O-OG 2.87Å
66	W	33	Very low	50.9	Low	233 Å²	233	128.3 Å²	128.3	88%	0.883	66%	0.664	S	S	*	*			trans	-58.9	76	-177	-74.2	36.5	0	0	0	111.3	K64 Q68	K64-W66 PolarHBondContact O-N 3.41Å; W66-Q68 VanDerWaalsContact C-N 3.34Å; W66-Q68 PolarHBondContact O-N 3.49Å
67	S	40.4	Very low	53.8	Low	94 Å²	94	121.5 Å²	121.5	66%	0.657	62%	0.622	S	S	*	*			trans	-96.6	68.9	-179.1	62.2	0	0	0	0	108.1	K65	K65-S67 PolarHBondContact O-N 2.95Å; K65-S67 PolarHBondContact O-OG 2.87Å
68	Q	41.9	Very low	57.1	Low	169 Å²	169	115 Å²	115	79%	0.79	59%	0.591	S	S	*	*			trans	164.3	91.4	155.3	-102	171.2	-40.1	0	0	105.8	W66 D70	W66-Q68 VanDerWaalsContact C-N 3.34Å; W66-Q68 PolarHBondContact O-N 3.49Å; Q68-D70 VanDerWaalsContact C-N 3.28Å; Q68-D70 PolarHBondContact O-N 3.44Å; Q68-D70 VanDerWaalsContact O-N 3.09Å
69	M	50.8	Low	60.5	Low	142 Å²	142	112.9 Å²	112.9	70%	0.7	58%	0.576	S	S	*	*			trans	-63.5	105.7	148.9	-90.7	158.9	66.5	0	0	104.1	I85	M69-I85 HydrophobicContact CE-CD1 4.04Å
70	D	59.6	Low	63.7	Low	107 Å²	107	104.7 Å²	104.7	57%	0.572	53%	0.534	S	S	*	.			trans	-43.9	145.3	165.8	-75.7	-35.3	0	0	0	109.1	Q68 S72	Q68-D70 VanDerWaalsContact C-N 3.28Å; Q68-D70 PolarHBondContact O-N 3.44Å; Q68-D70 VanDerWaalsContact O-N 3.09Å; D70-S72 PolarHBondContact O-N 3.49Å
71	D	78.1	Confident	66.8	Low	111 Å²	111	101 Å²	101	59%	0.594	51%	0.508	S	S	*	.			trans	-49.5	99	179.2	-175.7	5.3	0	0	0	111	S73 S74	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 WeakPolarHBondContact OD1-CB 3.4Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 PolarHBondContact OD1-OG 3.07Å; D71-S73 PolarHBondContact OD2-OG 3.5Å; D71-S74 PolarHBondContact O-N 3.18Å; D71-S74 PolarHBondContact O-OG 3.37Å
72	S	84.1	Confident	69.8	Low	31 Å²	31	95.4 Å²	95.4	22%	0.217	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-67.1	-10.1	-176.2	56.6	0	0	0	0	112	D70 S74 W75 R88	D70-S72 PolarHBondContact O-N 3.49Å; S72-S74 PolarHBondContact O-N 3.1Å; S72-W75 WeakPolarHBondContact O-CB 3.29Å; S72-W75 PolarHBondContact O-N 3.48Å; S72-W75 VanDerWaalsContact O-N 3.13Å; S72-R88 WeakPolarHBondContact O-CG 3.21Å
73	S	88.2	Confident	73	Confident	57 Å²	57	91.7 Å²	91.7	40%	0.399	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25.6	173.1	76	0	0	0	0	112.6	D71 R88	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 WeakPolarHBondContact OD1-CB 3.4Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 PolarHBondContact OD1-OG 3.07Å; D71-S73 PolarHBondContact OD2-OG 3.5Å; S73-R88 PolarHBondContact O-NE 2.9Å; S73-R88 PolarHBondContact O-NH1 2.98Å; S73-R88 PolarHBondContact O-NH2 3.01Å
74	S	92.4	Very high	76.1	Confident	91 Å²	91	87 Å²	87	64%	0.636	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-85.9	-11.8	178.7	64.5	0	0	0	0	114	D71 S72	D71-S74 PolarHBondContact O-N 3.18Å; D71-S74 PolarHBondContact O-OG 3.37Å; S72-S74 PolarHBondContact O-N 3.1Å
75	W	95.3	Very high	79.3	Confident	27 Å²	27	79.7 Å²	79.7	10%	0.102	41%	0.407	C	S	.	.			trans	-74.8	142.2	-173.8	-65.1	6.8	0	0	0	110.8	S72 K79 F83 I85 R88	S72-W75 WeakPolarHBondContact O-CB 3.29Å; S72-W75 PolarHBondContact O-N 3.48Å; S72-W75 VanDerWaalsContact O-N 3.13Å; W75-K79 HydrophobicContact CB-CB 4.43Å; W75-K79 HydrophobicContact CB-CD 4.37Å; W75-K79 HydrophobicContact CD2-CD 3.93Å; W75-K79 HydrophobicContact CD2-CG 4.09Å; W75-K79 HydrophobicContact CE3-CD 4.37Å; W75-K79 HydrophobicContact CE3-CG 4.02Å; W75-K79 HydrophobicContact CG-CD 3.92Å; W75-K79 HydrophobicContact CG-CG 4.34Å; W75-F83 HydrophobicContact CE3-CB 4.44Å; W75-F83 HydrophobicContact CE3-CD2 4.47Å; W75-F83 HydrophobicContact CH2-CB 4.31Å; W75-F83 HydrophobicContact CH2-CD1 4.38Å; W75-F83 HydrophobicContact CH2-CD2 4.33Å; W75-F83 HydrophobicContact CH2-CG 4.08Å; W75-F83 HydrophobicContact CZ3-CB 3.56Å; W75-F83 HydrophobicContact CZ3-CD1 4.4Å; W75-F83 AromaticContact CZ3-CD2 3.88Å; W75-F83 HydrophobicContact CZ3-CD2 3.88Å; W75-F83 AromaticContact CZ3-CG 3.69Å; W75-F83 HydrophobicContact CZ3-CG 3.69Å; W75-I85 HydrophobicContact CE3-CG1 3.97Å; W75-I85 HydrophobicContact CZ3-CD1 4.18Å; W75-I85 HydrophobicContact CZ3-CG1 3.68Å; W75-R88 PolarHBondContact O-NE 3.08Å; W75-R88 PolarHBondContact O-NH2 3.26Å
76	D	96.2	Very high	82.5	Confident	91 Å²	91	72.5 Å²	72.5	49%	0.487	38%	0.378	S	S	.	.			trans	-67.3	166.2	166.4	67.8	58.3	0	0	0	111	I78 K79 A80	D76-I78 VanDerWaalsContact C-N 3.28Å; D76-I78 PolarHBondContact O-N 3.08Å; D76-I78 WeakPolarHBondContact OD1-CA 3.34Å; D76-I78 WeakPolarHBondContact OD1-CB 3.45Å; D76-I78 PolarHBondContact OD1-N 3.3Å; D76-K79 PolarHBondContact O-N 3.47Å; D76-K79 PolarHBondContact OD1-N 3.47Å; D76-A80 VanDerWaalsContact O-CB 3.27Å; D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3Å
77	I	97.8	Very high	85.6	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-29.6	-174.8	-168.1	161	0	0	0	112.8	T81 L92 V93 Y97 L109	I77-T81 VanDerWaalsContact O-CB 3.26Å; I77-T81 WeakPolarHBondContact O-CB 3.33Å; I77-T81 PolarHBondContact O-N 2.96Å; I77-T81 PolarHBondContact O-OG1 3.08Å; I77-L92 HydrophobicContact CB-CB 4.35Å; I77-L92 HydrophobicContact CB-CD1 3.67Å; I77-L92 HydrophobicContact CD1-CB 4.01Å; I77-L92 HydrophobicContact CG1-CB 4.42Å; I77-L92 HydrophobicContact CG1-CD1 4.33Å; I77-V93 HydrophobicContact CD1-CG2 3.67Å; I77-Y97 HydrophobicContact CD1-CD1 3.66Å; I77-Y97 HydrophobicContact CD1-CE1 4.19Å; I77-Y97 HydrophobicContact CD1-CG 3.88Å; I77-Y97 HydrophobicContact CG2-CD1 4.23Å; I77-Y97 HydrophobicContact CG2-CD2 3.91Å; I77-Y97 HydrophobicContact CG2-CE1 3.88Å; I77-Y97 HydrophobicContact CG2-CE2 3.52Å; I77-Y97 HydrophobicContact CG2-CG 4.24Å; I77-L109 HydrophobicContact CD1-CD1 3.51Å; I77-L109 HydrophobicContact CD1-CD2 4.48Å; I77-L109 HydrophobicContact CG1-CD1 3.89Å; I77-L109 HydrophobicContact CG1-CD2 4Å; I77-L109 HydrophobicContact CG2-CD2 3.95Å
78	I	97.7	Very high	88.3	Confident	39 Å²	39	64.3 Å²	64.3	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-50.7	-179.1	-61.5	169.6	0	0	0	109.1	D76 A80 T81 Q82 D103 L109 W112	D76-I78 VanDerWaalsContact C-N 3.28Å; D76-I78 PolarHBondContact O-N 3.08Å; D76-I78 WeakPolarHBondContact OD1-CA 3.34Å; D76-I78 WeakPolarHBondContact OD1-CB 3.45Å; D76-I78 PolarHBondContact OD1-N 3.3Å; I78-A80 PolarHBondContact O-N 3.42Å; I78-T81 WeakPolarHBondContact O-CA 3.47Å; I78-T81 VanDerWaalsContact O-CB 3.3Å; I78-T81 WeakPolarHBondContact O-CB 3.39Å; I78-T81 PolarHBondContact O-N 3Å; I78-T81 VanDerWaalsContact O-N 3.09Å; I78-Q82 HydrophobicContact CG2-CG 4.48Å; I78-Q82 WeakPolarHBondContact O-CG 3.48Å; I78-Q82 PolarHBondContact O-N 2.81Å; I78-D103 HydrophobicContact CD1-CB 3.48Å; I78-D103 VanDerWaalsContact CD1-CB 3.48Å; I78-L109 HydrophobicContact CG1-CD2 4.31Å; I78-W112 HydrophobicContact CG2-CD2 4.17Å; I78-W112 HydrophobicContact CG2-CG 4.1Å
79	K	97.3	Very high	91	Very high	76 Å²	76	56.3 Å²	56.3	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176.2	-170.5	179.1	-179.6	-173.2	0	110.7	W75 D76 T81 Q82 F83	W75-K79 HydrophobicContact CB-CB 4.43Å; W75-K79 HydrophobicContact CB-CD 4.37Å; W75-K79 HydrophobicContact CD2-CD 3.93Å; W75-K79 HydrophobicContact CD2-CG 4.09Å; W75-K79 HydrophobicContact CE3-CD 4.37Å; W75-K79 HydrophobicContact CE3-CG 4.02Å; W75-K79 HydrophobicContact CG-CD 3.92Å; W75-K79 HydrophobicContact CG-CG 4.34Å; D76-K79 PolarHBondContact O-N 3.47Å; D76-K79 PolarHBondContact OD1-N 3.47Å; K79-T81 PolarHBondContact O-N 3.23Å; K79-Q82 PolarHBondContact O-N 3.4Å; K79-F83 HydrophobicContact CG-CD2 3.91Å; K79-F83 HydrophobicContact CG-CE2 4Å; K79-F83 VanDerWaalsContact O-CD2 3.3Å; K79-F83 WeakPolarHBondContact O-CD2 3.45Å; K79-F83 PolarHBondContact O-N 3.24Å; K79-F83 VanDerWaalsContact O-N 3.1Å
80	A	97.9	Very high	93.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-39.6	173.9	0	0	0	0	0	111.9	D76 I78 G84 I85 R88 C89	D76-A80 VanDerWaalsContact O-CB 3.27Å; D76-A80 WeakPolarHBondContact O-CB 3.44Å; D76-A80 PolarHBondContact O-N 3Å; I78-A80 PolarHBondContact O-N 3.42Å; A80-G84 PolarHBondContact O-N 3.41Å; A80-I85 HydrophobicContact CB-CB 4.35Å; A80-I85 PolarHBondContact O-N 3.16Å; A80-R88 HydrophobicContact CB-CB 4.12Å; A80-R88 HydrophobicContact CB-CG 3.72Å; A80-C89 VanDerWaalsContact C-SG 3.56Å; A80-C89 VanDerWaalsContact CB-SG 3.56Å
81	T	98.3	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-52.1	175.9	-60.1	0	0	0	0	112.2	I77 I78 K79 F83 G84 W112 A113 R118 L121 Y125	I77-T81 VanDerWaalsContact O-CB 3.26Å; I77-T81 WeakPolarHBondContact O-CB 3.33Å; I77-T81 PolarHBondContact O-N 2.96Å; I77-T81 PolarHBondContact O-OG1 3.08Å; I78-T81 WeakPolarHBondContact O-CA 3.47Å; I78-T81 VanDerWaalsContact O-CB 3.3Å; I78-T81 WeakPolarHBondContact O-CB 3.39Å; I78-T81 PolarHBondContact O-N 3Å; I78-T81 VanDerWaalsContact O-N 3.09Å; K79-T81 PolarHBondContact O-N 3.23Å; T81-F83 PolarHBondContact O-N 3.45Å; T81-G84 PolarHBondContact O-N 3.33Å; T81-W112 HydrophobicContact CG2-CB 3.69Å; T81-A113 HydrophobicContact CG2-CB 3.86Å; T81-R118 WeakPolarHBondContact O-CG 3.42Å; T81-L121 HydrophobicContact CG2-CD1 4.12Å; T81-Y125 HydrophobicContact CG2-CE2 3.91Å; T81-Y125 PolarHBondContact OG1-OH 3.49Å
82	Q	97.4	Very high	96	Very high	52 Å²	52	48.3 Å²	48.3	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-41.3	-178.5	-71.9	171	-11.5	0	0	111.6	I78 K79 W112 N116 R118	I78-Q82 HydrophobicContact CG2-CG 4.48Å; I78-Q82 WeakPolarHBondContact O-CG 3.48Å; I78-Q82 PolarHBondContact O-N 2.81Å; K79-Q82 PolarHBondContact O-N 3.4Å; Q82-W112 HydrophobicContact CG-CB 4.38Å; Q82-W112 HydrophobicContact CG-CD2 4.15Å; Q82-W112 HydrophobicContact CG-CE3 3.78Å; Q82-W112 HydrophobicContact CG-CG 4.44Å; Q82-W112 HydrophobicContact CG-CZ3 4.45Å; Q82-N116 WeakPolarHBondContact O-CB 3.27Å; Q82-R118 VanDerWaalsContact O-CZ 3.26Å; Q82-R118 PolarHBondContact O-NE 2.88Å; Q82-R118 PolarHBondContact O-NH2 3.06Å
83	F	96.3	Very high	96.7	Very high	94 Å²	94	47.7 Å²	47.7	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-86	-8.5	179.3	-75.1	-87.2	0	0	0	114.4	W75 K79 T81 I85	W75-F83 HydrophobicContact CE3-CB 4.44Å; W75-F83 HydrophobicContact CE3-CD2 4.47Å; W75-F83 HydrophobicContact CH2-CB 4.31Å; W75-F83 HydrophobicContact CH2-CD1 4.38Å; W75-F83 HydrophobicContact CH2-CD2 4.33Å; W75-F83 HydrophobicContact CH2-CG 4.08Å; W75-F83 HydrophobicContact CZ3-CB 3.56Å; W75-F83 HydrophobicContact CZ3-CD1 4.4Å; W75-F83 AromaticContact CZ3-CD2 3.88Å; W75-F83 HydrophobicContact CZ3-CD2 3.88Å; W75-F83 AromaticContact CZ3-CG 3.69Å; W75-F83 HydrophobicContact CZ3-CG 3.69Å; K79-F83 HydrophobicContact CG-CD2 3.91Å; K79-F83 HydrophobicContact CG-CE2 4Å; K79-F83 VanDerWaalsContact O-CD2 3.3Å; K79-F83 WeakPolarHBondContact O-CD2 3.45Å; K79-F83 PolarHBondContact O-N 3.24Å; K79-F83 VanDerWaalsContact O-N 3.1Å; T81-F83 PolarHBondContact O-N 3.45Å; F83-I85 HydrophobicContact CB-CD1 4.38Å; F83-I85 HydrophobicContact CB-CG1 4.21Å
84	G	96.4	Very high	97.1	Very high	29 Å²	29	51.5 Å²	51.5	30%	0.299	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	27.8	175.7	0	0	0	0	0	114.8	A80 T81 L86	A80-G84 PolarHBondContact O-N 3.41Å; T81-G84 PolarHBondContact O-N 3.33Å; G84-L86 VanDerWaalsContact C-N 3.31Å; G84-L86 PolarHBondContact O-N 3.45Å
85	I	97.4	Very high	97.3	Very high	29 Å²	29	51.3 Å²	51.3	15%	0.149	26%	0.264	C	S	.	.			trans	-80.3	80.3	179.7	-46.4	-56.3	0	0	0	109.4	M69 W75 A80 F83 E87 R88 C89	M69-I85 HydrophobicContact CE-CD1 4.04Å; W75-I85 HydrophobicContact CE3-CG1 3.97Å; W75-I85 HydrophobicContact CZ3-CD1 4.18Å; W75-I85 HydrophobicContact CZ3-CG1 3.68Å; A80-I85 HydrophobicContact CB-CB 4.35Å; A80-I85 PolarHBondContact O-N 3.16Å; F83-I85 HydrophobicContact CB-CD1 4.38Å; F83-I85 HydrophobicContact CB-CG1 4.21Å; I85-E87 PolarHBondContact O-N 3.46Å; I85-R88 HydrophobicContact CB-CB 4.11Å; I85-R88 HydrophobicContact CG2-CB 3.56Å; I85-R88 PolarHBondContact O-N 2.99Å; I85-C89 PolarHBondContact O-N 3.37Å; I85-C89 VanDerWaalsContact O-N 3.09Å; I85-C89 PolarHBondContact O-SG 3.03Å
86	L	96.8	Very high	97.4	Very high	42 Å²	42	53.1 Å²	53.1	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-51.9	-49.4	-172.9	178.1	61.4	0	0	0	113.4	G84 R88 C89 K90 E120 L121	G84-L86 VanDerWaalsContact C-N 3.31Å; G84-L86 PolarHBondContact O-N 3.45Å; L86-R88 PolarHBondContact O-N 2.76Å; L86-C89 PolarHBondContact O-N 3.34Å; L86-K90 HydrophobicContact CD1-CG 4.35Å; L86-K90 HydrophobicContact CG-CD 4.34Å; L86-K90 WeakPolarHBondContact O-CG 3.24Å; L86-K90 PolarHBondContact O-N 2.98Å; L86-E120 HydrophobicContact CD2-CB 4.12Å; L86-L121 HydrophobicContact CD1-CD2 3.66Å; L86-L121 HydrophobicContact CD1-CG 4.31Å
87	E	97.1	Very high	97.5	Very high	110 Å²	110	51.7 Å²	51.7	51%	0.514	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-40.9	-175.9	-59.8	-50	124.4	0	0	111.6	I85 C89 K90 E91	I85-E87 PolarHBondContact O-N 3.46Å; E87-C89 VanDerWaalsContact C-N 3.34Å; E87-C89 PolarHBondContact O-N 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 3.18Å; E87-K90 IonicContact OE1-NZ 3.55Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 2.67Å; E87-E91 WeakPolarHBondContact O-CG 3.37Å; E87-E91 PolarHBondContact O-N 3.41Å
88	R	97.1	Very high	97.5	Very high	46 Å²	46	55.3 Å²	55.3	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-41.3	175	179.9	57	-178.9	164.1	-1.1	112.4	S72 S73 W75 A80 I85 L86 K90 E91 L92	S72-R88 WeakPolarHBondContact O-CG 3.21Å; S73-R88 PolarHBondContact O-NE 2.9Å; S73-R88 PolarHBondContact O-NH1 2.98Å; S73-R88 PolarHBondContact O-NH2 3.01Å; W75-R88 PolarHBondContact O-NE 3.08Å; W75-R88 PolarHBondContact O-NH2 3.26Å; A80-R88 HydrophobicContact CB-CB 4.12Å; A80-R88 HydrophobicContact CB-CG 3.72Å; I85-R88 HydrophobicContact CB-CB 4.11Å; I85-R88 HydrophobicContact CG2-CB 3.56Å; I85-R88 PolarHBondContact O-N 2.99Å; L86-R88 PolarHBondContact O-N 2.76Å; R88-K90 VanDerWaalsContact C-N 3.34Å; R88-E91 WeakPolarHBondContact CD-OE2 3.43Å; R88-E91 IonicContact NH1-OE2 3.93Å; R88-E91 PolarHBondContact NH1-OE2 3.23Å; R88-E91 PolarHBondContact O-N 3.23Å; R88-L92 HydrophobicContact CG-CD1 4.27Å; R88-L92 WeakPolarHBondContact O-CG 3.29Å; R88-L92 PolarHBondContact O-N 3.31Å; R88-L92 VanDerWaalsContact O-N 3.13Å
89	C	98.2	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-37.9	175.8	-68.8	0	0	0	0	112.1	A80 I85 L86 E87 V93 L121 Y125	A80-C89 VanDerWaalsContact C-SG 3.56Å; A80-C89 VanDerWaalsContact CB-SG 3.56Å; I85-C89 PolarHBondContact O-N 3.37Å; I85-C89 VanDerWaalsContact O-N 3.09Å; I85-C89 PolarHBondContact O-SG 3.03Å; L86-C89 PolarHBondContact O-N 3.34Å; E87-C89 VanDerWaalsContact C-N 3.34Å; E87-C89 PolarHBondContact O-N 3.39Å; C89-V93 VanDerWaalsContact O-CG2 3.29Å; C89-V93 WeakPolarHBondContact O-CG2 3.23Å; C89-V93 PolarHBondContact O-N 3.4Å; C89-V93 VanDerWaalsContact O-N 3.1Å; C89-L121 HydrophobicContact CB-CD2 3.5Å; C89-Y125 HydrophobicContact CB-CE1 4.43Å; C89-Y125 VanDerWaalsContact CB-OH 3.26Å; C89-Y125 WeakPolarHBondContact CB-OH 3.36Å; C89-Y125 PolarHBondContact SG-OH 2.82Å
90	K	98.3	Very high	97.5	Very high	56 Å²	56	56.6 Å²	56.6	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-51	174.6	-72.7	174.1	-178.8	163.2	0	111.2	L86 E87 R88 L92 V93 E94 Y124	L86-K90 HydrophobicContact CD1-CG 4.35Å; L86-K90 HydrophobicContact CG-CD 4.34Å; L86-K90 WeakPolarHBondContact O-CG 3.24Å; L86-K90 PolarHBondContact O-N 2.98Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 3.18Å; E87-K90 IonicContact OE1-NZ 3.55Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 2.67Å; R88-K90 VanDerWaalsContact C-N 3.34Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.13Å; K90-V93 PolarHBondContact O-N 2.88Å; K90-E94 WeakPolarHBondContact O-CB 3.46Å; K90-E94 WeakPolarHBondContact O-CG 3.37Å; K90-E94 PolarHBondContact O-N 3.27Å; K90-Y124 HydrophobicContact CB-CE1 4.39Å; K90-Y124 HydrophobicContact CG-CD1 4.27Å; K90-Y124 HydrophobicContact CG-CD2 4.17Å; K90-Y124 HydrophobicContact CG-CE1 3.89Å; K90-Y124 HydrophobicContact CG-CE2 3.79Å; K90-Y124 HydrophobicContact CG-CG 4.4Å
91	E	97.8	Very high	97.4	Very high	101 Å²	101	61.4 Å²	61.4	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-50.6	-49.2	177.1	-73.7	172.3	-173.5	0	0	111.7	E87 R88 E94 A95	E87-E91 WeakPolarHBondContact O-CG 3.37Å; E87-E91 PolarHBondContact O-N 3.41Å; R88-E91 WeakPolarHBondContact CD-OE2 3.43Å; R88-E91 IonicContact NH1-OE2 3.93Å; R88-E91 PolarHBondContact NH1-OE2 3.23Å; R88-E91 PolarHBondContact O-N 3.23Å; E91-E94 PolarHBondContact O-N 3.09Å; E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.44Å; E91-A95 PolarHBondContact O-N 3.46Å
92	L	98	Very high	97.3	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-68.9	-37.6	-177.2	-72.1	174.7	0	0	0	113.1	I77 R88 K90 A95 G96 Y97	I77-L92 HydrophobicContact CB-CB 4.35Å; I77-L92 HydrophobicContact CB-CD1 3.67Å; I77-L92 HydrophobicContact CD1-CB 4.01Å; I77-L92 HydrophobicContact CG1-CB 4.42Å; I77-L92 HydrophobicContact CG1-CD1 4.33Å; R88-L92 HydrophobicContact CG-CD1 4.27Å; R88-L92 WeakPolarHBondContact O-CG 3.29Å; R88-L92 PolarHBondContact O-N 3.31Å; R88-L92 VanDerWaalsContact O-N 3.13Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.13Å; L92-A95 PolarHBondContact O-N 2.64Å; L92-G96 PolarHBondContact O-N 3.29Å; L92-Y97 WeakPolarHBondContact O-CB 3.44Å; L92-Y97 PolarHBondContact O-N 3.03Å; L92-Y97 VanDerWaalsContact O-N 3.08Å
93	V	98.1	Very high	97.3	Very high	17 Å²	17	62.9 Å²	62.9	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-40.4	175.1	171.6	0	0	0	0	111.1	I77 C89 K90 A95 G96 V99 Y124 Y125 K128	I77-V93 HydrophobicContact CD1-CG2 3.67Å; C89-V93 VanDerWaalsContact O-CG2 3.29Å; C89-V93 WeakPolarHBondContact O-CG2 3.23Å; C89-V93 PolarHBondContact O-N 3.4Å; C89-V93 VanDerWaalsContact O-N 3.1Å; K90-V93 PolarHBondContact O-N 2.88Å; V93-A95 VanDerWaalsContact C-N 3.3Å; V93-A95 PolarHBondContact O-N 3.31Å; V93-G96 PolarHBondContact O-N 3.25Å; V93-V99 HydrophobicContact CB-CG1 4.48Å; V93-V99 HydrophobicContact CG1-CG1 3.9Å; V93-V99 HydrophobicContact CG2-CG1 3.66Å; V93-Y124 HydrophobicContact CB-CE1 4.04Å; V93-Y124 HydrophobicContact CG1-CE1 4.25Å; V93-Y124 HydrophobicContact CG2-CE1 4.03Å; V93-Y125 HydrophobicContact CG2-CE1 4.16Å; V93-K128 HydrophobicContact CG1-CD 4.34Å; V93-K128 HydrophobicContact CG1-CG 4.12Å
94	E	97.3	Very high	97.3	Very high	137 Å²	137	68.7 Å²	68.7	64%	0.64	36%	0.359	S	S	*	.	H	α-helix	trans	-69.7	-28.5	176.7	-70.2	174.7	178.1	0	0	112.4	K90 E91 G96	K90-E94 WeakPolarHBondContact O-CB 3.46Å; K90-E94 WeakPolarHBondContact O-CG 3.37Å; K90-E94 PolarHBondContact O-N 3.27Å; E91-E94 PolarHBondContact O-N 3.09Å; E94-G96 PolarHBondContact O-N 2.72Å
95	A	97.4	Very high	97.3	Very high	88 Å²	88	73 Å²	73	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.1	169.1	0	0	0	0	0	113.7	E91 L92 V93	E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.44Å; E91-A95 PolarHBondContact O-N 3.46Å; L92-A95 PolarHBondContact O-N 2.64Å; V93-A95 VanDerWaalsContact C-N 3.3Å; V93-A95 PolarHBondContact O-N 3.31Å
96	G	96.8	Very high	97.3	Very high	64 Å²	64	75.3 Å²	75.3	66%	0.66	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.1	8.5	171.3	0	0	0	0	0	115.8	L92 V93 E94 D98	L92-G96 PolarHBondContact O-N 3.29Å; V93-G96 PolarHBondContact O-N 3.25Å; E94-G96 PolarHBondContact O-N 2.72Å; G96-D98 PolarHBondContact O-N 3.27Å
97	Y	97.9	Very high	97.4	Very high	62 Å²	62	73.5 Å²	73.5	24%	0.243	38%	0.375	C	S	.	.			trans	-67.8	122.3	173.1	-166	-78.3	0	0	0	110.8	I77 L92 V99 Q101 L109	I77-Y97 HydrophobicContact CD1-CD1 3.66Å; I77-Y97 HydrophobicContact CD1-CE1 4.19Å; I77-Y97 HydrophobicContact CD1-CG 3.88Å; I77-Y97 HydrophobicContact CG2-CD1 4.23Å; I77-Y97 HydrophobicContact CG2-CD2 3.91Å; I77-Y97 HydrophobicContact CG2-CE1 3.88Å; I77-Y97 HydrophobicContact CG2-CE2 3.52Å; I77-Y97 HydrophobicContact CG2-CG 4.24Å; L92-Y97 WeakPolarHBondContact O-CB 3.44Å; L92-Y97 PolarHBondContact O-N 3.03Å; L92-Y97 VanDerWaalsContact O-N 3.08Å; Y97-V99 PolarHBondContact O-N 3.46Å; Y97-Q101 HydrophobicContact CE1-CB 4.4Å; Y97-L109 HydrophobicContact CD1-CD1 4.06Å; Y97-L109 HydrophobicContact CE1-CD1 3.8Å; Y97-L109 HydrophobicContact CE1-CD2 4.43Å; Y97-L109 HydrophobicContact CE1-CG 4.23Å
98	D	97.9	Very high	97.4	Very high	84 Å²	84	68.6 Å²	68.6	45%	0.449	35%	0.353	S	S	.	.			trans	-76.1	118.3	176.4	-177.4	-1.2	0	0	0	110.6	G96 R100 Q101	G96-D98 PolarHBondContact O-N 3.27Å; D98-R100 PolarHBondContact O-N 2.98Å; D98-R100 VanDerWaalsContact O-N 3.08Å; D98-R100 WeakPolarHBondContact OD1-CB 3.48Å; D98-R100 PolarHBondContact OD1-N 3.4Å; D98-Q101 HydrophobicContact CB-CB 4.26Å; D98-Q101 VanDerWaalsContact O-CB 3.26Å; D98-Q101 WeakPolarHBondContact O-CB 3.26Å; D98-Q101 PolarHBondContact O-N 3.11Å
99	V	97.4	Very high	97.5	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.2	179.2	-60.5	0	0	0	0	113.8	V93 Y97 L109 Y125 K128 A130	V93-V99 HydrophobicContact CB-CG1 4.48Å; V93-V99 HydrophobicContact CG1-CG1 3.9Å; V93-V99 HydrophobicContact CG2-CG1 3.66Å; Y97-V99 PolarHBondContact O-N 3.46Å; V99-L109 HydrophobicContact CB-CD1 4.47Å; V99-L109 HydrophobicContact CG1-CD1 4.41Å; V99-Y125 HydrophobicContact CB-CD1 4.39Å; V99-Y125 HydrophobicContact CG1-CD1 3.74Å; V99-Y125 HydrophobicContact CG1-CE1 4.3Å; V99-K128 HydrophobicContact CG1-CB 3.9Å; V99-K128 HydrophobicContact CG2-CB 3.9Å; V99-K128 WeakPolarHBondContact CG2-O 3.46Å; V99-A130 HydrophobicContact CG2-CB 4.26Å
100	R	97.2	Very high	97.5	Very high	137 Å²	137	66.5 Å²	66.5	52%	0.517	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.4	175.2	-60.8	179.3	174.7	-179.2	-1.3	113.1	D98 P102 G129	D98-R100 PolarHBondContact O-N 2.98Å; D98-R100 VanDerWaalsContact O-N 3.08Å; D98-R100 WeakPolarHBondContact OD1-CB 3.48Å; D98-R100 PolarHBondContact OD1-N 3.4Å; R100-P102 VanDerWaalsContact O-CD 3.29Å; R100-P102 WeakPolarHBondContact O-CD 3.28Å; R100-G129 VanDerWaalsContact CZ-O 3.32Å; R100-G129 PolarHBondContact NE-O 2.89Å; R100-G129 PolarHBondContact NH2-O 3.05Å
101	Q	96.6	Very high	97.5	Very high	102 Å²	102	63.9 Å²	63.9	48%	0.477	33%	0.334	S	S	.	.			trans	-65.5	119.8	-179.3	-175.5	175.1	-4	0	0	109.2	Y97 D98	Y97-Q101 HydrophobicContact CE1-CB 4.4Å; D98-Q101 HydrophobicContact CB-CB 4.26Å; D98-Q101 VanDerWaalsContact O-CB 3.26Å; D98-Q101 WeakPolarHBondContact O-CB 3.26Å; D98-Q101 PolarHBondContact O-N 3.11Å
102	P	96.6	Very high	97.6	Very high	56 Å²	56	60.9 Å²	60.9	36%	0.364	32%	0.318	S	S	.	.			trans	-76.2	156.7	173.2	32.6	-33.7	0	0	0	110.5	R100 V107	R100-P102 VanDerWaalsContact O-CD 3.29Å; R100-P102 WeakPolarHBondContact O-CD 3.28Å; P102-V107 WeakPolarHBondContact CA-O 3.42Å
103	D	97	Very high	97.6	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.144	31%	0.309	C	S	.	.			trans	-76.8	-170.9	170	67.7	24	0	0	0	112.4	I78 E105 N106 V107 W112	I78-D103 HydrophobicContact CD1-CB 3.48Å; I78-D103 VanDerWaalsContact CD1-CB 3.48Å; D103-E105 PolarHBondContact O-N 3.16Å; D103-E105 WeakPolarHBondContact OD1-CA 3.21Å; D103-E105 PolarHBondContact OD1-N 2.78Å; D103-N106 PolarHBondContact O-N 3.49Å; D103-N106 VanDerWaalsContact O-N 3.1Å; D103-N106 PolarHBondContact OD1-N 3.05Å; D103-V107 VanDerWaalsContact CG-O 3.28Å; D103-V107 PolarHBondContact N-O 3.09Å; D103-V107 WeakPolarHBondContact OD1-CB 3.26Å; D103-V107 PolarHBondContact OD1-N 3.3Å; D103-V107 WeakPolarHBondContact OD2-CB 3.12Å; D103-W112 PolarHBondContact OD2-NE1 3.26Å
104	K	96.6	Very high	97.6	Very high	215 Å²	215	58.4 Å²	58.4	94%	0.935	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.3	-176.8	-63.9	-179.2	-178.2	176.4	0	113.6	N106	K104-N106 VanDerWaalsContact C-N 3.32Å
105	E	95.6	Very high	97.7	Very high	120 Å²	120	53.4 Å²	53.4	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	14.3	-179.9	-64.7	165.1	160.7	0	0	110.6	D103 V107 G137	D103-E105 PolarHBondContact O-N 3.16Å; D103-E105 WeakPolarHBondContact OD1-CA 3.21Å; D103-E105 PolarHBondContact OD1-N 2.78Å; E105-V107 HydrophobicContact CB-CG2 4.04Å; E105-V107 PolarHBondContact O-N 2.97Å; E105-G137 VanDerWaalsContact O-CA 3.32Å; E105-G137 WeakPolarHBondContact O-CA 3.45Å
106	N	97.6	Very high	97.7	Very high	78 Å²	78	51.7 Å²	51.7	42%	0.417	26%	0.26	S	S	.	.	S	Bend	trans	60.4	30.4	-174.5	-167.7	44.2	0	0	0	112.7	D103 K104 G136 G137	D103-N106 PolarHBondContact O-N 3.49Å; D103-N106 VanDerWaalsContact O-N 3.1Å; D103-N106 PolarHBondContact OD1-N 3.05Å; K104-N106 VanDerWaalsContact C-N 3.32Å; N106-G136 CarbonylContact O-C 3.31Å; N106-G136 WeakPolarHBondContact O-CA 3.24Å; N106-G137 PolarHBondContact O-N 2.75Å
107	V	98.4	Very high	97.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	25%	0.245	C	C	.	.			trans	-102.8	130	-179.8	-177.7	0	0	0	0	109.6	P102 D103 E105 H111 W112 W146	P102-V107 WeakPolarHBondContact CA-O 3.42Å; D103-V107 VanDerWaalsContact CG-O 3.28Å; D103-V107 PolarHBondContact N-O 3.09Å; D103-V107 WeakPolarHBondContact OD1-CB 3.26Å; D103-V107 PolarHBondContact OD1-N 3.3Å; D103-V107 WeakPolarHBondContact OD2-CB 3.12Å; E105-V107 HydrophobicContact CB-CG2 4.04Å; E105-V107 PolarHBondContact O-N 2.97Å; V107-H111 HydrophobicContact CG1-CB 3.44Å; V107-H111 VanDerWaalsContact CG1-CB 3.44Å; V107-W112 HydrophobicContact CB-CZ2 4.43Å; V107-W112 HydrophobicContact CG1-CD2 4.22Å; V107-W112 HydrophobicContact CG1-CG 4.31Å; V107-W112 HydrophobicContact CG1-CZ2 4.14Å; V107-W146 HydrophobicContact CB-CH2 4.35Å; V107-W146 HydrophobicContact CG1-CH2 3.56Å; V107-W146 HydrophobicContact CG1-CZ2 4.27Å; V107-W146 HydrophobicContact CG1-CZ3 3.77Å; V107-W146 HydrophobicContact CG2-CH2 3.76Å; V107-W146 HydrophobicContact CG2-CZ2 4.09Å
108	S	98.2	Very high	97.8	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.042	25%	0.248	C	C	.	.			trans	-85.2	161.1	178.1	78	0	0	0	0	112.3	L110 H111 W112	S108-L110 PolarHBondContact O-N 3.36Å; S108-L110 VanDerWaalsContact O-N 3.14Å; S108-L110 PolarHBondContact OG-N 3.26Å; S108-H111 PolarHBondContact N-ND1 3.48Å; S108-H111 WeakPolarHBondContact O-CB 3.42Å; S108-H111 PolarHBondContact O-N 3.32Å; S108-H111 PolarHBondContact OG-ND1 3.31Å; S108-W112 PolarHBondContact O-N 3.37Å
109	L	98.5	Very high	97.7	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-31.3	173.7	-62.1	-178.2	0	0	0	112.7	I77 I78 Y97 V99 H111 W112 A113 Y125	I77-L109 HydrophobicContact CD1-CD1 3.51Å; I77-L109 HydrophobicContact CD1-CD2 4.48Å; I77-L109 HydrophobicContact CG1-CD1 3.89Å; I77-L109 HydrophobicContact CG1-CD2 4Å; I77-L109 HydrophobicContact CG2-CD2 3.95Å; I78-L109 HydrophobicContact CG1-CD2 4.31Å; Y97-L109 HydrophobicContact CD1-CD1 4.06Å; Y97-L109 HydrophobicContact CE1-CD1 3.8Å; Y97-L109 HydrophobicContact CE1-CD2 4.43Å; Y97-L109 HydrophobicContact CE1-CG 4.23Å; V99-L109 HydrophobicContact CB-CD1 4.47Å; V99-L109 HydrophobicContact CG1-CD1 4.41Å; L109-H111 VanDerWaalsContact C-N 3.33Å; L109-H111 PolarHBondContact O-N 3.04Å; L109-W112 PolarHBondContact O-N 2.89Å; L109-A113 WeakPolarHBondContact O-CB 3.25Å; L109-A113 PolarHBondContact O-N 2.97Å; L109-Y125 HydrophobicContact CB-CD2 4.03Å; L109-Y125 HydrophobicContact CB-CE2 3.82Å; L109-Y125 HydrophobicContact CD1-CD1 4.39Å; L109-Y125 HydrophobicContact CD1-CE1 3.88Å; L109-Y125 HydrophobicContact CD1-CE2 4.48Å
110	L	98.6	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-35.2	179	-163.8	62	0	0	0	112	S108 A114 V122 M126 A130 I132 P143	S108-L110 PolarHBondContact O-N 3.36Å; S108-L110 VanDerWaalsContact O-N 3.14Å; S108-L110 PolarHBondContact OG-N 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.86Å; L110-V122 HydrophobicContact CD1-CB 4.29Å; L110-V122 HydrophobicContact CD1-CG1 4.02Å; L110-V122 HydrophobicContact CD1-CG2 4.04Å; L110-M126 HydrophobicContact CD1-CG 4.42Å; L110-M126 HydrophobicContact CD1-SD 4.18Å; L110-M126 HydrophobicContact CD2-SD 3.65Å; L110-A130 HydrophobicContact CD2-CB 4.24Å; L110-I132 HydrophobicContact CD2-CD1 4.24Å; L110-P143 HydrophobicContact CB-CG 4.03Å; L110-P143 HydrophobicContact CD2-CB 4.45Å; L110-P143 HydrophobicContact CD2-CG 3.97Å; L110-P143 HydrophobicContact CG-CB 4.06Å; L110-P143 HydrophobicContact CG-CG 3.87Å
111	H	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-49.1	172.5	-69.7	87.7	0	0	0	111.4	V107 S108 L109 A113 A114 I115 Q134 S141 W146	V107-H111 HydrophobicContact CG1-CB 3.44Å; V107-H111 VanDerWaalsContact CG1-CB 3.44Å; S108-H111 PolarHBondContact N-ND1 3.48Å; S108-H111 WeakPolarHBondContact O-CB 3.42Å; S108-H111 PolarHBondContact O-N 3.32Å; S108-H111 PolarHBondContact OG-ND1 3.31Å; L109-H111 VanDerWaalsContact C-N 3.33Å; L109-H111 PolarHBondContact O-N 3.04Å; H111-A113 VanDerWaalsContact C-N 3.31Å; H111-A113 PolarHBondContact O-N 3.39Å; H111-A114 PolarHBondContact O-N 3.44Å; H111-I115 WeakPolarHBondContact O-CG2 3.44Å; H111-I115 PolarHBondContact O-N 2.86Å; H111-Q134 PolarHBondContact CE1-O 2.63Å; H111-Q134 PolarHBondContact NE2-O 3.37Å; H111-S141 PolarHBondContact NE2-O 3.28Å; H111-W146 HydrophobicContact CB-CD2 4.1Å; H111-W146 HydrophobicContact CB-CE3 3.71Å; H111-W146 HydrophobicContact CB-CZ3 3.98Å; H111-W146 AromaticContact CD2-CD2 3.94Å; H111-W146 AromaticContact CD2-CE2 3.99Å
112	W	98.5	Very high	97.9	Very high	39 Å²	39	44 Å²	44	15%	0.148	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-38.1	179	-70.5	119.8	0	0	0	112.5	I78 T81 Q82 D103 V107 S108 L109 I115 N116 W146	I78-W112 HydrophobicContact CG2-CD2 4.17Å; I78-W112 HydrophobicContact CG2-CG 4.1Å; T81-W112 HydrophobicContact CG2-CB 3.69Å; Q82-W112 HydrophobicContact CG-CB 4.38Å; Q82-W112 HydrophobicContact CG-CD2 4.15Å; Q82-W112 HydrophobicContact CG-CE3 3.78Å; Q82-W112 HydrophobicContact CG-CG 4.44Å; Q82-W112 HydrophobicContact CG-CZ3 4.45Å; D103-W112 PolarHBondContact OD2-NE1 3.26Å; V107-W112 HydrophobicContact CB-CZ2 4.43Å; V107-W112 HydrophobicContact CG1-CD2 4.22Å; V107-W112 HydrophobicContact CG1-CG 4.31Å; V107-W112 HydrophobicContact CG1-CZ2 4.14Å; S108-W112 PolarHBondContact O-N 3.37Å; L109-W112 PolarHBondContact O-N 2.89Å; W112-I115 HydrophobicContact CE3-CG2 4.17Å; W112-N116 WeakPolarHBondContact O-CB 3.33Å; W112-N116 PolarHBondContact O-N 3.18Å; W112-N116 PolarHBondContact O-ND2 3.44Å; W112-W146 HydrophobicContact CD2-CZ3 4.4Å; W112-W146 HydrophobicContact CE3-CZ3 4.1Å; W112-W146 HydrophobicContact CH2-CZ3 4.38Å; W112-W146 HydrophobicContact CZ3-CZ3 4.09Å
113	A	98.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-42.1	174.8	0	0	0	0	0	111.7	T81 L109 H111 N117 R118 L121 V122 Y125	T81-A113 HydrophobicContact CG2-CB 3.86Å; L109-A113 WeakPolarHBondContact O-CB 3.25Å; L109-A113 PolarHBondContact O-N 2.97Å; H111-A113 VanDerWaalsContact C-N 3.31Å; H111-A113 PolarHBondContact O-N 3.39Å; A113-N117 PolarHBondContact O-N 3.44Å; A113-R118 HydrophobicContact CB-CB 4.31Å; A113-R118 PolarHBondContact O-N 2.82Å; A113-L121 HydrophobicContact CB-CB 4.14Å; A113-V122 HydrophobicContact CB-CG2 3.66Å; A113-Y125 HydrophobicContact CB-CD2 4.23Å; A113-Y125 HydrophobicContact CB-CE2 4.22Å
114	A	98.6	Very high	98	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-50.6	-178.8	0	0	0	0	0	112.8	L110 H111 N116 N117 P143 A147 M155 L159	L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.86Å; H111-A114 PolarHBondContact O-N 3.44Å; A114-N116 PolarHBondContact O-N 3.46Å; A114-N117 PolarHBondContact O-N 3.14Å; A114-N117 VanDerWaalsContact O-N 3.07Å; A114-P143 HydrophobicContact CB-CB 3.92Å; A114-P143 WeakPolarHBondContact CB-O 3.2Å; A114-A147 HydrophobicContact CB-CB 4.36Å; A114-M155 HydrophobicContact CB-CG 4.1Å; A114-M155 HydrophobicContact CB-SD 4.48Å; A114-L159 HydrophobicContact CB-CD1 3.95Å
115	I	98.3	Very high	98.1	Very high	33 Å²	33	34.9 Å²	34.9	17%	0.169	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-21.7	-179	-158.9	171.7	0	0	0	113.2	H111 W112 W146 Q150 H152	H111-I115 WeakPolarHBondContact O-CG2 3.44Å; H111-I115 PolarHBondContact O-N 2.86Å; W112-I115 HydrophobicContact CE3-CG2 4.17Å; I115-W146 HydrophobicContact CB-CB 4.08Å; I115-W146 HydrophobicContact CB-CD2 4.48Å; I115-W146 HydrophobicContact CB-CE3 3.73Å; I115-W146 HydrophobicContact CD1-CB 4.42Å; I115-W146 HydrophobicContact CD1-CD2 3.97Å; I115-W146 HydrophobicContact CD1-CE3 3.49Å; I115-W146 VanDerWaalsContact CD1-CE3 3.49Å; I115-W146 HydrophobicContact CD1-CG 4.41Å; I115-W146 HydrophobicContact CD1-CZ3 3.98Å; I115-W146 HydrophobicContact CG1-CB 4.32Å; I115-W146 HydrophobicContact CG1-CE3 4.12Å; I115-W146 HydrophobicContact CG2-CE3 3.82Å; I115-W146 HydrophobicContact CG2-CZ3 4.2Å; I115-Q150 HydrophobicContact CD1-CG 4.22Å; I115-Q150 HydrophobicContact CG1-CG 3.37Å; I115-H152 PolarHBondContact O-CD2 2.92Å; I115-H152 PolarHBondContact O-NE2 3.23Å; I115-H152 VanDerWaalsContact O-NE2 3.12Å
116	N	98.1	Very high	98.3	Very high	52 Å²	52	30.8 Å²	30.8	28%	0.278	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11.4	177.3	-69.8	-78.1	0	0	0	113.4	Q82 W112 A114 R118	Q82-N116 WeakPolarHBondContact O-CB 3.27Å; W112-N116 WeakPolarHBondContact O-CB 3.33Å; W112-N116 PolarHBondContact O-N 3.18Å; W112-N116 PolarHBondContact O-ND2 3.44Å; A114-N116 PolarHBondContact O-N 3.46Å; N116-R118 VanDerWaalsContact C-N 3.3Å; N116-R118 HydrophobicContact CB-CG 3.87Å; N116-R118 VanDerWaalsContact O-CD 3.27Å; N116-R118 WeakPolarHBondContact O-CD 3.44Å; N116-R118 PolarHBondContact O-N 3.42Å; N116-R118 PolarHBondContact O-NE 3.46Å
117	N	97.9	Very high	98.3	Very high	62 Å²	62	31.3 Å²	31.3	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.4	178.6	-160.7	29.8	0	0	0	114.2	A113 A114 S119 H152	A113-N117 PolarHBondContact O-N 3.44Å; A114-N117 PolarHBondContact O-N 3.14Å; A114-N117 VanDerWaalsContact O-N 3.07Å; N117-S119 PolarHBondContact O-N 3.32Å; N117-S119 VanDerWaalsContact O-N 3.16Å; N117-H152 HydrophobicContact CB-CB 4.32Å
118	R	98.3	Very high	98.3	Very high	83 Å²	83	35.7 Å²	35.7	31%	0.313	18%	0.178	S	C	.	.			trans	-88.9	75.5	-176.8	-52.4	-54.1	-174.2	-166.7	-5.7	111.7	T81 Q82 A113 N116 E120 L121 V122	T81-R118 WeakPolarHBondContact O-CG 3.42Å; Q82-R118 VanDerWaalsContact O-CZ 3.26Å; Q82-R118 PolarHBondContact O-NE 2.88Å; Q82-R118 PolarHBondContact O-NH2 3.06Å; A113-R118 HydrophobicContact CB-CB 4.31Å; A113-R118 PolarHBondContact O-N 2.82Å; N116-R118 VanDerWaalsContact C-N 3.3Å; N116-R118 HydrophobicContact CB-CG 3.87Å; N116-R118 VanDerWaalsContact O-CD 3.27Å; N116-R118 WeakPolarHBondContact O-CD 3.44Å; N116-R118 PolarHBondContact O-N 3.42Å; N116-R118 PolarHBondContact O-NE 3.46Å; R118-E120 PolarHBondContact O-N 3.49Å; R118-L121 HydrophobicContact CB-CB 3.98Å; R118-L121 HydrophobicContact CB-CD1 3.97Å; R118-L121 HydrophobicContact CB-CG 4.34Å; R118-L121 HydrophobicContact CG-CD1 4.32Å; R118-L121 PolarHBondContact O-N 3.16Å; R118-L121 VanDerWaalsContact O-N 3.11Å; R118-V122 PolarHBondContact O-N 3.2Å
119	S	96.3	Very high	98.2	Very high	41 Å²	41	36.6 Å²	36.6	29%	0.287	19%	0.188	S	C	.	.	H	α-helix	trans	-52.8	-46.8	-172.7	-174.6	0	0	0	0	114	N117 L121 V122 K123 Q158	N117-S119 PolarHBondContact O-N 3.32Å; N117-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 3.26Å; S119-V122 PolarHBondContact O-N 3.05Å; S119-K123 WeakPolarHBondContact O-CG 3.48Å; S119-K123 PolarHBondContact O-N 3.26Å; S119-K123 VanDerWaalsContact O-N 3.09Å; S119-Q158 VanDerWaalsContact CA-OE1 3.31Å; S119-Q158 VanDerWaalsContact CB-OE1 3.29Å; S119-Q158 PolarHBondContact O-NE2 3.43Å; S119-Q158 VanDerWaalsContact OG-CD 3.29Å; S119-Q158 PolarHBondContact OG-NE2 3.29Å; S119-Q158 PolarHBondContact OG-OE1 3.4Å
120	E	97.9	Very high	98.2	Very high	101 Å²	101	37 Å²	37	47%	0.472	19%	0.191	S	C	.	.	H	α-helix	trans	-67	-35.1	-179	-62.6	-52.9	127.8	0	0	112.8	L86 R118 K123 Y124	L86-E120 HydrophobicContact CD2-CB 4.12Å; R118-E120 PolarHBondContact O-N 3.49Å; E120-K123 PolarHBondContact O-N 3.24Å; E120-K123 IonicContact OE1-NZ 3.03Å; E120-K123 PolarHBondContact OE1-NZ 3.41Å; E120-K123 IonicContact OE2-NZ 2.8Å; E120-Y124 WeakPolarHBondContact O-CB 3.43Å; E120-Y124 PolarHBondContact O-N 2.81Å
121	L	98.6	Very high	98.2	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-39.1	175.2	-77.3	177.8	0	0	0	111.9	T81 L86 C89 A113 R118 S119 K123 Y124 Y125	T81-L121 HydrophobicContact CG2-CD1 4.12Å; L86-L121 HydrophobicContact CD1-CD2 3.66Å; L86-L121 HydrophobicContact CD1-CG 4.31Å; C89-L121 HydrophobicContact CB-CD2 3.5Å; A113-L121 HydrophobicContact CB-CB 4.14Å; R118-L121 HydrophobicContact CB-CB 3.98Å; R118-L121 HydrophobicContact CB-CD1 3.97Å; R118-L121 HydrophobicContact CB-CG 4.34Å; R118-L121 HydrophobicContact CG-CD1 4.32Å; R118-L121 PolarHBondContact O-N 3.16Å; R118-L121 VanDerWaalsContact O-N 3.11Å; S119-L121 PolarHBondContact O-N 3.26Å; L121-K123 VanDerWaalsContact C-N 3.35Å; L121-K123 PolarHBondContact O-N 3Å; L121-Y124 PolarHBondContact O-N 3.18Å; L121-Y125 HydrophobicContact CB-CD2 4.28Å; L121-Y125 HydrophobicContact CB-CE2 3.9Å; L121-Y125 HydrophobicContact CD2-CE2 4.15Å; L121-Y125 HydrophobicContact CG-CE2 4.46Å; L121-Y125 WeakPolarHBondContact O-CB 3.31Å; L121-Y125 WeakPolarHBondContact O-CD2 3.31Å; L121-Y125 VanDerWaalsContact O-CG 3.26Å; L121-Y125 PolarHBondContact O-N 2.69Å
122	V	98.5	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-46.2	172.9	168.8	0	0	0	0	110.8	L110 A113 R118 S119 Y124 Y125 M126 M155 Q158 L159 Y162	L110-V122 HydrophobicContact CD1-CB 4.29Å; L110-V122 HydrophobicContact CD1-CG1 4.02Å; L110-V122 HydrophobicContact CD1-CG2 4.04Å; A113-V122 HydrophobicContact CB-CG2 3.66Å; R118-V122 PolarHBondContact O-N 3.2Å; S119-V122 PolarHBondContact O-N 3.05Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 3.23Å; V122-Y125 PolarHBondContact O-N 3.06Å; V122-M126 HydrophobicContact CG1-CG 4.37Å; V122-M126 WeakPolarHBondContact O-CB 3.25Å; V122-M126 VanDerWaalsContact O-CG 3.25Å; V122-M126 WeakPolarHBondContact O-CG 3.34Å; V122-M126 PolarHBondContact O-N 3.18Å; V122-M155 HydrophobicContact CB-CE 4.38Å; V122-M155 HydrophobicContact CB-SD 4.24Å; V122-M155 HydrophobicContact CG1-SD 4.32Å; V122-M155 HydrophobicContact CG2-CE 3.64Å; V122-M155 HydrophobicContact CG2-SD 3.59Å; V122-M155 VanDerWaalsContact CG2-SD 3.59Å; V122-Q158 HydrophobicContact CG1-CG 4.38Å; V122-L159 HydrophobicContact CG1-CD2 3.91Å; V122-Y162 HydrophobicContact CG1-CD2 4.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.23Å
123	K	98.3	Very high	98.2	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.365	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-47.8	175.2	-61.4	177.3	-171.2	161.7	0	111.2	S119 E120 L121 S127	S119-K123 WeakPolarHBondContact O-CG 3.48Å; S119-K123 PolarHBondContact O-N 3.26Å; S119-K123 VanDerWaalsContact O-N 3.09Å; E120-K123 PolarHBondContact O-N 3.24Å; E120-K123 IonicContact OE1-NZ 3.03Å; E120-K123 PolarHBondContact OE1-NZ 3.41Å; E120-K123 IonicContact OE2-NZ 2.8Å; L121-K123 VanDerWaalsContact C-N 3.35Å; L121-K123 PolarHBondContact O-N 3Å; K123-S127 PolarHBondContact O-N 3.21Å
124	Y	98.5	Very high	98.1	Very high	23 Å²	23	44.9 Å²	44.9	9%	0.09	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-51.1	-178.8	179.8	-113.4	0	0	0	111.9	K90 V93 E120 L121 V122 M126 S127 K128	K90-Y124 HydrophobicContact CB-CE1 4.39Å; K90-Y124 HydrophobicContact CG-CD1 4.27Å; K90-Y124 HydrophobicContact CG-CD2 4.17Å; K90-Y124 HydrophobicContact CG-CE1 3.89Å; K90-Y124 HydrophobicContact CG-CE2 3.79Å; K90-Y124 HydrophobicContact CG-CG 4.4Å; V93-Y124 HydrophobicContact CB-CE1 4.04Å; V93-Y124 HydrophobicContact CG1-CE1 4.25Å; V93-Y124 HydrophobicContact CG2-CE1 4.03Å; E120-Y124 WeakPolarHBondContact O-CB 3.43Å; E120-Y124 PolarHBondContact O-N 2.81Å; L121-Y124 PolarHBondContact O-N 3.18Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 3.23Å; Y124-M126 PolarHBondContact O-N 3.08Å; Y124-S127 WeakPolarHBondContact O-CB 3.29Å; Y124-S127 PolarHBondContact O-N 3.24Å; Y124-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 PolarHBondContact O-OG 3.13Å; Y124-K128 HydrophobicContact CD2-CG 4.44Å; Y124-K128 HydrophobicContact CE1-CG 4.3Å; Y124-K128 HydrophobicContact CE2-CD 4.32Å; Y124-K128 HydrophobicContact CE2-CG 4.01Å; Y124-K128 WeakPolarHBondContact O-CG 3.49Å; Y124-K128 PolarHBondContact O-N 3.05Å; Y124-K128 VanDerWaalsContact O-N 3.08Å; Y124-K128 VanDerWaalsContact OH-CE 3.29Å; Y124-K128 WeakPolarHBondContact OH-CE 3.47Å
125	Y	98.6	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-38.1	-179.7	-63	-35.6	0	0	0	112.9	T81 C89 V93 V99 L109 A113 L121 V122 S127 K128 G129 A130	T81-Y125 HydrophobicContact CG2-CE2 3.91Å; T81-Y125 PolarHBondContact OG1-OH 3.49Å; C89-Y125 HydrophobicContact CB-CE1 4.43Å; C89-Y125 VanDerWaalsContact CB-OH 3.26Å; C89-Y125 WeakPolarHBondContact CB-OH 3.36Å; C89-Y125 PolarHBondContact SG-OH 2.82Å; V93-Y125 HydrophobicContact CG2-CE1 4.16Å; V99-Y125 HydrophobicContact CB-CD1 4.39Å; V99-Y125 HydrophobicContact CG1-CD1 3.74Å; V99-Y125 HydrophobicContact CG1-CE1 4.3Å; L109-Y125 HydrophobicContact CB-CD2 4.03Å; L109-Y125 HydrophobicContact CB-CE2 3.82Å; L109-Y125 HydrophobicContact CD1-CD1 4.39Å; L109-Y125 HydrophobicContact CD1-CE1 3.88Å; L109-Y125 HydrophobicContact CD1-CE2 4.48Å; A113-Y125 HydrophobicContact CB-CD2 4.23Å; A113-Y125 HydrophobicContact CB-CE2 4.22Å; L121-Y125 HydrophobicContact CB-CD2 4.28Å; L121-Y125 HydrophobicContact CB-CE2 3.9Å; L121-Y125 HydrophobicContact CD2-CE2 4.15Å; L121-Y125 HydrophobicContact CG-CE2 4.46Å; L121-Y125 WeakPolarHBondContact O-CB 3.31Å; L121-Y125 WeakPolarHBondContact O-CD2 3.31Å; L121-Y125 VanDerWaalsContact O-CG 3.26Å; L121-Y125 PolarHBondContact O-N 2.69Å; V122-Y125 PolarHBondContact O-N 3.06Å; Y125-S127 VanDerWaalsContact C-N 3.33Å; Y125-S127 PolarHBondContact O-N 2.81Å; Y125-K128 CarbonylContact O-C 3.58Å; Y125-K128 PolarHBondContact O-N 3.29Å; Y125-K128 VanDerWaalsContact O-N 3.12Å; Y125-G129 PolarHBondContact O-N 2.86Å; Y125-A130 VanDerWaalsContact O-CB 3.24Å; Y125-A130 WeakPolarHBondContact O-CB 3.33Å; Y125-A130 PolarHBondContact O-N 2.89Å
126	M	98.3	Very high	98.1	Very high	35 Å²	35	46 Å²	46	17%	0.172	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-41.2	171.7	-70.1	-51.7	-58.7	0	0	111.6	L110 V122 Y124 K128 G129 A130 I132 Y162	L110-M126 HydrophobicContact CD1-CG 4.42Å; L110-M126 HydrophobicContact CD1-SD 4.18Å; L110-M126 HydrophobicContact CD2-SD 3.65Å; V122-M126 HydrophobicContact CG1-CG 4.37Å; V122-M126 WeakPolarHBondContact O-CB 3.25Å; V122-M126 VanDerWaalsContact O-CG 3.25Å; V122-M126 WeakPolarHBondContact O-CG 3.34Å; V122-M126 PolarHBondContact O-N 3.18Å; Y124-M126 PolarHBondContact O-N 3.08Å; M126-K128 PolarHBondContact O-N 3.48Å; M126-G129 PolarHBondContact O-N 2.68Å; M126-A130 HydrophobicContact SD-CB 4.21Å; M126-I132 HydrophobicContact CE-CB 3.93Å; M126-I132 HydrophobicContact CE-CD1 4.23Å; M126-I132 HydrophobicContact SD-CB 4.37Å; M126-I132 HydrophobicContact SD-CD1 3.96Å; M126-Y162 HydrophobicContact CB-CD1 4.22Å; M126-Y162 HydrophobicContact CB-CE1 4.06Å; M126-Y162 HydrophobicContact CE-CD1 4.48Å; M126-Y162 HydrophobicContact CE-CG 4.48Å; M126-Y162 HydrophobicContact CG-CD1 4.18Å; M126-Y162 HydrophobicContact CG-CD2 4.03Å; M126-Y162 HydrophobicContact CG-CE1 4.37Å; M126-Y162 HydrophobicContact CG-CE2 4.21Å; M126-Y162 HydrophobicContact CG-CG 4.03Å
127	S	98	Very high	98	Very high	88 Å²	88	44 Å²	44	62%	0.615	23%	0.232	S	C	*	.	H	α-helix	trans	-65	-22.1	175.7	80.5	0	0	0	0	113.9	K123 Y124 Y125	K123-S127 PolarHBondContact O-N 3.21Å; Y124-S127 WeakPolarHBondContact O-CB 3.29Å; Y124-S127 PolarHBondContact O-N 3.24Å; Y124-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 PolarHBondContact O-OG 3.13Å; Y125-S127 VanDerWaalsContact C-N 3.33Å; Y125-S127 PolarHBondContact O-N 2.81Å
128	K	98.3	Very high	98	Very high	97 Å²	97	48.8 Å²	48.8	42%	0.422	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	8.4	175.8	-61.8	-64.5	-177.4	172.2	0	112.9	V93 V99 Y124 Y125 M126	V93-K128 HydrophobicContact CG1-CD 4.34Å; V93-K128 HydrophobicContact CG1-CG 4.12Å; V99-K128 HydrophobicContact CG1-CB 3.9Å; V99-K128 HydrophobicContact CG2-CB 3.9Å; V99-K128 WeakPolarHBondContact CG2-O 3.46Å; Y124-K128 HydrophobicContact CD2-CG 4.44Å; Y124-K128 HydrophobicContact CE1-CG 4.3Å; Y124-K128 HydrophobicContact CE2-CD 4.32Å; Y124-K128 HydrophobicContact CE2-CG 4.01Å; Y124-K128 WeakPolarHBondContact O-CG 3.49Å; Y124-K128 PolarHBondContact O-N 3.05Å; Y124-K128 VanDerWaalsContact O-N 3.08Å; Y124-K128 VanDerWaalsContact OH-CE 3.29Å; Y124-K128 WeakPolarHBondContact OH-CE 3.47Å; Y125-K128 CarbonylContact O-C 3.58Å; Y125-K128 PolarHBondContact O-N 3.29Å; Y125-K128 VanDerWaalsContact O-N 3.12Å; M126-K128 PolarHBondContact O-N 3.48Å
129	G	97.1	Very high	97.9	Very high	25 Å²	25	48 Å²	48	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	21.5	171.9	0	0	0	0	0	115	R100 Y125 M126	R100-G129 VanDerWaalsContact CZ-O 3.32Å; R100-G129 PolarHBondContact NE-O 2.89Å; R100-G129 PolarHBondContact NH2-O 3.05Å; Y125-G129 PolarHBondContact O-N 2.86Å; M126-G129 PolarHBondContact O-N 2.68Å
130	A	98.3	Very high	98	Very high	10 Å²	10	49.5 Å²	49.5	8%	0.083	26%	0.264	C	S	.	.			trans	-54.8	145	168.4	0	0	0	0	0	111.2	V99 L110 Y125 M126	V99-A130 HydrophobicContact CG2-CB 4.26Å; L110-A130 HydrophobicContact CD2-CB 4.24Å; Y125-A130 VanDerWaalsContact O-CB 3.24Å; Y125-A130 WeakPolarHBondContact O-CB 3.33Å; Y125-A130 PolarHBondContact O-N 2.89Å; M126-A130 HydrophobicContact SD-CB 4.21Å
131	I	98.3	Very high	98	Very high	75 Å²	75	44.7 Å²	44.7	39%	0.385	24%	0.242	S	C	.	.			trans	-89.2	118.1	-179.3	-60.9	167.5	0	0	0	108.1	D133 Q134	I131-D133 PolarHBondContact O-N 3.28Å; I131-Q134 HydrophobicContact CB-CB 4.05Å; I131-Q134 HydrophobicContact CG2-CB 4.12Å; I131-Q134 WeakPolarHBondContact O-CB 3.35Å; I131-Q134 PolarHBondContact O-N 3.21Å
132	I	98.2	Very high	98	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.138	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-44.6	-169.9	-172.5	60	0	0	0	113.1	L110 M126 P143 L159 A164	L110-I132 HydrophobicContact CD2-CD1 4.24Å; M126-I132 HydrophobicContact CE-CB 3.93Å; M126-I132 HydrophobicContact CE-CD1 4.23Å; M126-I132 HydrophobicContact SD-CB 4.37Å; M126-I132 HydrophobicContact SD-CD1 3.96Å; I132-P143 WeakPolarHBondContact O-CD 3.47Å; I132-L159 HydrophobicContact CD1-CB 4.32Å; I132-L159 HydrophobicContact CD1-CD2 3.63Å; I132-A164 HydrophobicContact CD1-CB 4.14Å; I132-A164 HydrophobicContact CG1-CB 3.66Å
133	D	98.4	Very high	98	Very high	35 Å²	35	44.6 Å²	44.6	19%	0.187	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	31.9	-178.7	-67.6	-40.8	0	0	0	112.1	I131 L135 T142 A164 D165 I168	I131-D133 PolarHBondContact O-N 3.28Å; D133-L135 PolarHBondContact O-N 3.13Å; D133-T142 HydrophobicContact CB-CG2 4.11Å; D133-A164 WeakPolarHBondContact OD1-CA 3.09Å; D133-D165 PolarHBondContact OD1-N 2.85Å; D133-D165 PolarHBondContact OD2-N 3.4Å; D133-I168 HydrophobicContact CB-CD1 3.63Å
134	Q	97.9	Very high	98	Very high	69 Å²	69	40.6 Å²	40.6	32%	0.322	22%	0.223	S	C	.	.			trans	-57.8	124.5	172.4	-178	58.1	56.4	0	0	109.1	H111 I131 P143	H111-Q134 PolarHBondContact CE1-O 2.63Å; H111-Q134 PolarHBondContact NE2-O 3.37Å; I131-Q134 HydrophobicContact CB-CB 4.05Å; I131-Q134 HydrophobicContact CG2-CB 4.12Å; I131-Q134 WeakPolarHBondContact O-CB 3.35Å; I131-Q134 PolarHBondContact O-N 3.21Å; Q134-P143 WeakPolarHBondContact O-CD 3.29Å
135	L	98.3	Very high	98	Very high	54 Å²	54	39.5 Å²	39.5	28%	0.283	22%	0.219	S	C	.	.			trans	-78.2	135.7	172.2	-56.4	173.2	0	0	0	109.7	D133 N140 S141 T142 I168	D133-L135 PolarHBondContact O-N 3.13Å; L135-N140 WeakPolarHBondContact CB-OD1 3.44Å; L135-N140 WeakPolarHBondContact CD1-ND2 3.11Å; L135-S141 CarbonylContact C-O 3.52Å; L135-S141 WeakPolarHBondContact CA-O 3.5Å; L135-T142 HydrophobicContact CD2-CG2 3.71Å; L135-I168 HydrophobicContact CD2-CG2 4.12Å
136	G	97.4	Very high	98	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.01	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-157	170.2	-179.1	0	0	0	0	0	114.5	N106 S141	N106-G136 CarbonylContact O-C 3.31Å; N106-G136 WeakPolarHBondContact O-CA 3.24Å; G136-S141 PolarHBondContact N-O 3.01Å; G136-S141 PolarHBondContact O-N 3.29Å
137	G	96.9	Very high	98.1	Very high	12 Å²	12	39.7 Å²	39.7	12%	0.124	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	176.6	-176.3	0	0	0	0	0	114.3	E105 N106 L139 N140	E105-G137 VanDerWaalsContact O-CA 3.32Å; E105-G137 WeakPolarHBondContact O-CA 3.45Å; N106-G137 PolarHBondContact O-N 2.75Å; G137-L139 PolarHBondContact O-N 2.62Å; G137-N140 PolarHBondContact O-N 3.29Å
138	D	96.9	Very high	98.1	Very high	161 Å²	161	35.5 Å²	35.5	86%	0.861	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.3	-177.8	-64.9	-23	0	0	0	113.6	N140	D138-N140 VanDerWaalsContact C-N 3.33Å
139	L	96.8	Very high	98.1	Very high	68 Å²	68	32.8 Å²	32.8	36%	0.356	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	13.6	178.5	-59.7	-176.8	0	0	0	112.7	G137 S141 G171 E172	G137-L139 PolarHBondContact O-N 2.62Å; L139-S141 PolarHBondContact O-N 3.16Å; L139-S141 PolarHBondContact O-OG 2.98Å; L139-S141 VanDerWaalsContact O-OG 3.06Å; L139-G171 WeakPolarHBondContact O-CA 3.23Å; L139-G171 PolarHBondContact O-N 2.9Å; L139-E172 HydrophobicContact CD2-CG 3.89Å
140	N	97.8	Very high	98.1	Very high	72 Å²	72	36.4 Å²	36.4	39%	0.385	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	40.8	51.6	178.1	-165.3	51.5	0	0	0	112.3	L135 G137 D138	L135-N140 WeakPolarHBondContact CB-OD1 3.44Å; L135-N140 WeakPolarHBondContact CD1-ND2 3.11Å; G137-N140 PolarHBondContact O-N 3.29Å; D138-N140 VanDerWaalsContact C-N 3.33Å
141	S	98.3	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-102.7	160	-169.2	-69.7	0	0	0	0	110.5	H111 L135 G136 L139 D170	H111-S141 PolarHBondContact NE2-O 3.28Å; L135-S141 CarbonylContact C-O 3.52Å; L135-S141 WeakPolarHBondContact CA-O 3.5Å; G136-S141 PolarHBondContact N-O 3.01Å; G136-S141 PolarHBondContact O-N 3.29Å; L139-S141 PolarHBondContact O-N 3.16Å; L139-S141 PolarHBondContact O-OG 2.98Å; L139-S141 VanDerWaalsContact O-OG 3.06Å; S141-D170 WeakPolarHBondContact OG-CB 3.48Å
142	T	98.8	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.			trans	-87.3	164.6	169.9	63.6	0	0	0	0	110.8	D133 L135 L144 H145 W146 I168	D133-T142 HydrophobicContact CB-CG2 4.11Å; L135-T142 HydrophobicContact CD2-CG2 3.71Å; T142-L144 PolarHBondContact O-N 3.09Å; T142-L144 PolarHBondContact OG1-N 2.88Å; T142-H145 PolarHBondContact N-ND1 2.92Å; T142-H145 WeakPolarHBondContact O-CB 3.44Å; T142-H145 PolarHBondContact O-N 2.61Å; T142-H145 VanDerWaalsContact O-N 3.13Å; T142-H145 PolarHBondContact OG1-N 2.79Å; T142-H145 PolarHBondContact OG1-ND1 3.48Å; T142-W146 PolarHBondContact O-N 3.24Å; T142-I168 HydrophobicContact CG2-CB 4.42Å; T142-I168 HydrophobicContact CG2-CD1 4.19Å; T142-I168 HydrophobicContact CG2-CG2 3.92Å
143	P	98.7	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.2	-33.2	168.7	-26.6	35.7	0	0	0	113	L110 A114 I132 Q134 W146 A147 L159	L110-P143 HydrophobicContact CB-CG 4.03Å; L110-P143 HydrophobicContact CD2-CB 4.45Å; L110-P143 HydrophobicContact CD2-CG 3.97Å; L110-P143 HydrophobicContact CG-CB 4.06Å; L110-P143 HydrophobicContact CG-CG 3.87Å; A114-P143 HydrophobicContact CB-CB 3.92Å; A114-P143 WeakPolarHBondContact CB-O 3.2Å; I132-P143 WeakPolarHBondContact O-CD 3.47Å; Q134-P143 WeakPolarHBondContact O-CD 3.29Å; P143-W146 PolarHBondContact O-N 3.28Å; P143-A147 PolarHBondContact O-N 2.77Å; P143-L159 HydrophobicContact CB-CD1 4.34Å
144	L	98.8	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-46	175.4	-179.9	62.4	0	0	0	111.2	T142 W146 A147 I148 V156 L159 M160 A164 P166	T142-L144 PolarHBondContact O-N 3.09Å; T142-L144 PolarHBondContact OG1-N 2.88Å; L144-W146 VanDerWaalsContact C-N 3.3Å; L144-W146 PolarHBondContact O-N 2.92Å; L144-A147 PolarHBondContact O-N 2.9Å; L144-I148 HydrophobicContact CD1-CD1 4.16Å; L144-I148 HydrophobicContact CD1-CG1 4.41Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.48Å; L144-I148 PolarHBondContact O-N 3.49Å; L144-V156 HydrophobicContact CD1-CB 4.28Å; L144-V156 HydrophobicContact CD1-CG1 3.96Å; L144-V156 HydrophobicContact CD1-CG2 4.29Å; L144-L159 HydrophobicContact CB-CD1 4.37Å; L144-L159 HydrophobicContact CD1-CB 4.22Å; L144-L159 HydrophobicContact CD1-CD1 4.41Å; L144-M160 HydrophobicContact CD1-CG 4.2Å; L144-M160 HydrophobicContact CD2-CG 4.3Å; L144-A164 HydrophobicContact CB-CB 4.19Å; L144-A164 HydrophobicContact CD2-CB 3.93Å; L144-A164 HydrophobicContact CG-CB 4.5Å; L144-P166 HydrophobicContact CD2-CB 4.16Å
145	H	98.8	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-43.3	174.7	-66.5	153.9	0	0	0	112.2	T142 I148 R149 I168 D170 L179	T142-H145 PolarHBondContact N-ND1 2.92Å; T142-H145 WeakPolarHBondContact O-CB 3.44Å; T142-H145 PolarHBondContact O-N 2.61Å; T142-H145 VanDerWaalsContact O-N 3.13Å; T142-H145 PolarHBondContact OG1-N 2.79Å; T142-H145 PolarHBondContact OG1-ND1 3.48Å; H145-I148 PolarHBondContact O-N 2.96Å; H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 3.31Å; H145-I168 PolarHBondContact CE1-O 3.34Å; H145-I168 PolarHBondContact NE2-O 2.63Å; H145-D170 PolarHBondContact CE1-N 3.06Å; H145-L179 HydrophobicContact CB-CD1 3.65Å; H145-L179 VanDerWaalsContact CD2-CD1 3.45Å; H145-L179 WeakPolarHBondContact CD2-CD1 3.44Å
146	W	98.6	Very high	97.7	Very high	39 Å²	39	32 Å²	32	15%	0.148	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-41.7	179	-79	36.2	0	0	0	112.3	V107 H111 W112 I115 T142 P143 L144 I148 R149 Q150	V107-W146 HydrophobicContact CB-CH2 4.35Å; V107-W146 HydrophobicContact CG1-CH2 3.56Å; V107-W146 HydrophobicContact CG1-CZ2 4.27Å; V107-W146 HydrophobicContact CG1-CZ3 3.77Å; V107-W146 HydrophobicContact CG2-CH2 3.76Å; V107-W146 HydrophobicContact CG2-CZ2 4.09Å; H111-W146 HydrophobicContact CB-CD2 4.1Å; H111-W146 HydrophobicContact CB-CE3 3.71Å; H111-W146 HydrophobicContact CB-CZ3 3.98Å; H111-W146 AromaticContact CD2-CD2 3.94Å; H111-W146 AromaticContact CD2-CE2 3.99Å; W112-W146 HydrophobicContact CD2-CZ3 4.4Å; W112-W146 HydrophobicContact CE3-CZ3 4.1Å; W112-W146 HydrophobicContact CH2-CZ3 4.38Å; W112-W146 HydrophobicContact CZ3-CZ3 4.09Å; I115-W146 HydrophobicContact CB-CB 4.08Å; I115-W146 HydrophobicContact CB-CD2 4.48Å; I115-W146 HydrophobicContact CB-CE3 3.73Å; I115-W146 HydrophobicContact CD1-CB 4.42Å; I115-W146 HydrophobicContact CD1-CD2 3.97Å; I115-W146 HydrophobicContact CD1-CE3 3.49Å; I115-W146 VanDerWaalsContact CD1-CE3 3.49Å; I115-W146 HydrophobicContact CD1-CG 4.41Å; I115-W146 HydrophobicContact CD1-CZ3 3.98Å; I115-W146 HydrophobicContact CG1-CB 4.32Å; I115-W146 HydrophobicContact CG1-CE3 4.12Å; I115-W146 HydrophobicContact CG2-CE3 3.82Å; I115-W146 HydrophobicContact CG2-CZ3 4.2Å; T142-W146 PolarHBondContact O-N 3.24Å; P143-W146 PolarHBondContact O-N 3.28Å; L144-W146 VanDerWaalsContact C-N 3.3Å; L144-W146 PolarHBondContact O-N 2.92Å; W146-I148 VanDerWaalsContact C-N 3.33Å; W146-I148 PolarHBondContact O-N 3.45Å; W146-R149 PolarHBondContact O-N 3.05Å; W146-Q150 PolarHBondContact O-N 3.02Å
147	A	98.7	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-39.3	174	0	0	0	0	0	112.5	A114 P143 L144 Q150 G151 H152 M155 V156 L159	A114-A147 HydrophobicContact CB-CB 4.36Å; P143-A147 PolarHBondContact O-N 2.77Å; L144-A147 PolarHBondContact O-N 2.9Å; A147-Q150 PolarHBondContact O-N 3.33Å; A147-G151 PolarHBondContact O-N 3.13Å; A147-H152 PolarHBondContact O-N 2.88Å; A147-M155 HydrophobicContact CB-CB 4.03Å; A147-M155 HydrophobicContact CB-CG 3.68Å; A147-V156 HydrophobicContact CB-CG2 4.12Å; A147-L159 HydrophobicContact CB-CD1 4.07Å
148	I	98.6	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-46.9	178.6	-67.3	169.9	0	0	0	111.1	L144 H145 W146 Q150 G151 V156 S176 L179 A180 H185 I188 L192	L144-I148 HydrophobicContact CD1-CD1 4.16Å; L144-I148 HydrophobicContact CD1-CG1 4.41Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.48Å; L144-I148 PolarHBondContact O-N 3.49Å; H145-I148 PolarHBondContact O-N 2.96Å; W146-I148 VanDerWaalsContact C-N 3.33Å; W146-I148 PolarHBondContact O-N 3.45Å; I148-Q150 PolarHBondContact O-N 3.04Å; I148-G151 PolarHBondContact O-N 3.26Å; I148-V156 HydrophobicContact CG1-CG2 3.57Å; I148-S176 VanDerWaalsContact CD1-OG 3.29Å; I148-S176 WeakPolarHBondContact CD1-OG 3.47Å; I148-L179 HydrophobicContact CG2-CB 3.72Å; I148-A180 HydrophobicContact CG2-CB 3.93Å; I148-H185 PolarHBondContact O-CD2 3.06Å; I148-I188 HydrophobicContact CG1-CG2 4.04Å; I148-I188 HydrophobicContact CG2-CG2 4.24Å; I148-L192 HydrophobicContact CD1-CD1 4.29Å
149	R	98.1	Very high	97.8	Very high	41 Å²	41	25.1 Å²	25.1	16%	0.155	13%	0.132	C	C	.	.	H	α-helix	trans	-55.7	-35.5	178.6	-71.3	-178.6	176.4	-103.6	2.7	111.7	H145 W146 D170 E172 L179 F183 H185	H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 3.31Å; W146-R149 PolarHBondContact O-N 3.05Å; R149-D170 IonicContact CZ-OD2 3.32Å; R149-D170 IonicContact NE-OD2 3.3Å; R149-D170 IonicContact NH2-OD2 3.92Å; R149-D170 PolarHBondContact NH2-OD2 2.99Å; R149-E172 IonicContact CZ-OE2 2.97Å; R149-E172 IonicContact NH1-OE2 3.34Å; R149-E172 PolarHBondContact NH1-OE2 3.21Å; R149-E172 IonicContact NH2-OE2 3.41Å; R149-E172 PolarHBondContact NH2-OE2 3.13Å; R149-L179 HydrophobicContact CG-CD1 4.39Å; R149-L179 HydrophobicContact CG-CD2 4.44Å; R149-L179 VanDerWaalsContact NH2-CD2 3.33Å; R149-F183 HydrophobicContact CB-CD2 4.32Å; R149-F183 HydrophobicContact CB-CE2 4.22Å; R149-F183 HydrophobicContact CB-CZ 4.49Å; R149-F183 HydrophobicContact CG-CD2 3.96Å; R149-F183 HydrophobicContact CG-CE2 3.59Å; R149-F183 HydrophobicContact CG-CZ 4.14Å; R149-H185 PolarHBondContact O-NE2 3.27Å
150	Q	97.7	Very high	97.9	Very high	101 Å²	101	23.3 Å²	23.3	47%	0.472	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.6	176.9	-60.9	-60.4	-3.3	0	0	115.6	I115 W146 A147 I148 H152	I115-Q150 HydrophobicContact CD1-CG 4.22Å; I115-Q150 HydrophobicContact CG1-CG 3.37Å; W146-Q150 PolarHBondContact O-N 3.02Å; A147-Q150 PolarHBondContact O-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.04Å; Q150-H152 PolarHBondContact O-N 3.2Å
151	G	96.8	Very high	97.8	Very high	24 Å²	24	27.1 Å²	27.1	25%	0.247	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	21.8	178.2	0	0	0	0	0	114.5	A147 I148 L153 H185	A147-G151 PolarHBondContact O-N 3.13Å; I148-G151 PolarHBondContact O-N 3.26Å; G151-L153 PolarHBondContact O-N 3.41Å; G151-H185 VanDerWaalsContact CA-CD2 3.5Å; G151-H185 WeakPolarHBondContact CA-CD2 3.46Å; G151-H185 WeakPolarHBondContact CA-CE1 3.43Å; G151-H185 WeakPolarHBondContact CA-ND1 3.39Å; G151-H185 WeakPolarHBondContact CA-NE2 3.3Å; G151-H185 PolarHBondContact N-NE2 3.04Å
152	H	97.1	Very high	97.7	Very high	48 Å²	48	31.6 Å²	31.6	22%	0.222	15%	0.149	C	C	.	.			trans	-84.3	73.3	-177.3	-64.4	-24.6	0	0	0	112.2	I115 N117 A147 Q150 P154 M155 V156	I115-H152 PolarHBondContact O-CD2 2.92Å; I115-H152 PolarHBondContact O-NE2 3.23Å; I115-H152 VanDerWaalsContact O-NE2 3.12Å; N117-H152 HydrophobicContact CB-CB 4.32Å; A147-H152 PolarHBondContact O-N 2.88Å; Q150-H152 PolarHBondContact O-N 3.2Å; H152-P154 VanDerWaalsContact C-CD 3.47Å; H152-P154 VanDerWaalsContact C-N 3.35Å; H152-M155 HydrophobicContact CB-CB 3.86Å; H152-M155 WeakPolarHBondContact O-CA 3.27Å; H152-M155 WeakPolarHBondContact O-CB 3.26Å; H152-M155 PolarHBondContact O-N 3.34Å; H152-V156 PolarHBondContact O-N 3.23Å
153	L	95.3	Very high	97.7	Very high	24 Å²	24	34 Å²	34	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-49.8	-44.4	178.7	177.2	64.6	0	0	0	114	G151 M155 V156 I157 A187 I188 Y191 A441 L446	G151-L153 PolarHBondContact O-N 3.41Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.48Å; L153-V156 PolarHBondContact O-N 3.06Å; L153-I157 HydrophobicContact CD1-CD1 4.02Å; L153-I157 HydrophobicContact CD1-CG1 4.1Å; L153-I157 HydrophobicContact CG-CD1 3.87Å; L153-I157 HydrophobicContact CG-CG1 4.43Å; L153-I157 WeakPolarHBondContact O-CD1 3.46Å; L153-I157 VanDerWaalsContact O-CG1 3.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 3.43Å; L153-A187 HydrophobicContact CD2-CB 4.15Å; L153-I188 HydrophobicContact CB-CG1 3.95Å; L153-I188 HydrophobicContact CD1-CG1 4Å; L153-Y191 HydrophobicContact CD1-CD1 4.27Å; L153-Y191 HydrophobicContact CD1-CG 4.09Å; L153-A441 HydrophobicContact CD2-CB 4.37Å; L153-L446 HydrophobicContact CD2-CB 4.34Å; L153-L446 HydrophobicContact CD2-CD2 3.86Å
154	P	95.3	Very high	97.6	Very high	81 Å²	81	34.3 Å²	34.3	53%	0.526	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-38.1	176.4	-25.6	36	0	0	0	113.3	H152 Q158	H152-P154 VanDerWaalsContact C-CD 3.47Å; H152-P154 VanDerWaalsContact C-N 3.35Å; P154-Q158 WeakPolarHBondContact O-CB 3.36Å; P154-Q158 PolarHBondContact O-N 2.92Å
155	M	98.2	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.1	-41.7	177.4	-173.9	55.6	69	0	0	111.8	A114 V122 A147 H152 L153 I157 Q158 L159	A114-M155 HydrophobicContact CB-CG 4.1Å; A114-M155 HydrophobicContact CB-SD 4.48Å; V122-M155 HydrophobicContact CB-CE 4.38Å; V122-M155 HydrophobicContact CB-SD 4.24Å; V122-M155 HydrophobicContact CG1-SD 4.32Å; V122-M155 HydrophobicContact CG2-CE 3.64Å; V122-M155 HydrophobicContact CG2-SD 3.59Å; V122-M155 VanDerWaalsContact CG2-SD 3.59Å; A147-M155 HydrophobicContact CB-CB 4.03Å; A147-M155 HydrophobicContact CB-CG 3.68Å; H152-M155 HydrophobicContact CB-CB 3.86Å; H152-M155 WeakPolarHBondContact O-CA 3.27Å; H152-M155 WeakPolarHBondContact O-CB 3.26Å; H152-M155 PolarHBondContact O-N 3.34Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.48Å; M155-I157 VanDerWaalsContact C-N 3.32Å; M155-I157 PolarHBondContact O-N 3.19Å; M155-Q158 PolarHBondContact O-N 2.82Å; M155-L159 HydrophobicContact CG-CD1 3.86Å; M155-L159 HydrophobicContact CG-CG 4.22Å; M155-L159 WeakPolarHBondContact O-CB 3.17Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 2.98Å; M155-L159 HydrophobicContact SD-CD1 4.21Å; M155-L159 HydrophobicContact SD-CD2 4.46Å; M155-L159 HydrophobicContact SD-CG 4.01Å
156	V	98.4	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-49	173.6	171.1	0	0	0	0	110.7	L144 A147 I148 H152 L153 Q158 L159 M160 I188 Y191	L144-V156 HydrophobicContact CD1-CB 4.28Å; L144-V156 HydrophobicContact CD1-CG1 3.96Å; L144-V156 HydrophobicContact CD1-CG2 4.29Å; A147-V156 HydrophobicContact CB-CG2 4.12Å; I148-V156 HydrophobicContact CG1-CG2 3.57Å; H152-V156 PolarHBondContact O-N 3.23Å; L153-V156 PolarHBondContact O-N 3.06Å; V156-Q158 VanDerWaalsContact C-N 3.33Å; V156-Q158 PolarHBondContact O-N 3.05Å; V156-L159 PolarHBondContact O-N 3.01Å; V156-M160 HydrophobicContact CG1-SD 4.1Å; V156-M160 WeakPolarHBondContact O-CB 3.42Å; V156-M160 WeakPolarHBondContact O-CG 3.44Å; V156-M160 PolarHBondContact O-N 3.07Å; V156-I188 HydrophobicContact CG1-CG2 4.28Å; V156-I188 HydrophobicContact CG2-CD1 4.03Å; V156-I188 HydrophobicContact CG2-CG1 4.46Å; V156-I188 HydrophobicContact CG2-CG2 4.29Å; V156-Y191 HydrophobicContact CG1-CD1 4.17Å; V156-Y191 HydrophobicContact CG1-CE1 4.32Å
157	I	96.9	Very high	97.5	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-47.9	177.1	-66.5	160.8	0	0	0	110.4	L153 M155 M160 R161 Y191 A441 E442	L153-I157 HydrophobicContact CD1-CD1 4.02Å; L153-I157 HydrophobicContact CD1-CG1 4.1Å; L153-I157 HydrophobicContact CG-CD1 3.87Å; L153-I157 HydrophobicContact CG-CG1 4.43Å; L153-I157 WeakPolarHBondContact O-CD1 3.46Å; L153-I157 VanDerWaalsContact O-CG1 3.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 3.43Å; M155-I157 VanDerWaalsContact C-N 3.32Å; M155-I157 PolarHBondContact O-N 3.19Å; I157-M160 PolarHBondContact O-N 3.17Å; I157-R161 WeakPolarHBondContact O-CG 3.41Å; I157-R161 PolarHBondContact O-N 2.97Å; I157-Y191 HydrophobicContact CB-CE1 4.47Å; I157-Y191 HydrophobicContact CG1-CD1 4.23Å; I157-Y191 HydrophobicContact CG1-CD2 4.35Å; I157-Y191 HydrophobicContact CG1-CE1 3.77Å; I157-Y191 HydrophobicContact CG1-CE2 3.92Å; I157-Y191 HydrophobicContact CG1-CG 4.5Å; I157-A441 VanDerWaalsContact CD1-C 3.48Å; I157-A441 HydrophobicContact CD1-CB 3.94Å; I157-A441 WeakPolarHBondContact CD1-O 3.48Å; I157-E442 HydrophobicContact CG2-CG 3.96Å
158	Q	97.4	Very high	97.5	Very high	19 Å²	19	40.3 Å²	40.3	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-45.9	-178.1	-175.2	176.9	4.7	0	0	112.5	S119 V122 P154 M155 V156 R161 Y162	S119-Q158 VanDerWaalsContact CA-OE1 3.31Å; S119-Q158 VanDerWaalsContact CB-OE1 3.29Å; S119-Q158 PolarHBondContact O-NE2 3.43Å; S119-Q158 VanDerWaalsContact OG-CD 3.29Å; S119-Q158 PolarHBondContact OG-NE2 3.29Å; S119-Q158 PolarHBondContact OG-OE1 3.4Å; V122-Q158 HydrophobicContact CG1-CG 4.38Å; P154-Q158 WeakPolarHBondContact O-CB 3.36Å; P154-Q158 PolarHBondContact O-N 2.92Å; M155-Q158 PolarHBondContact O-N 2.82Å; V156-Q158 VanDerWaalsContact C-N 3.33Å; V156-Q158 PolarHBondContact O-N 3.05Å; Q158-R161 WeakPolarHBondContact O-CB 3.21Å; Q158-R161 PolarHBondContact O-N 2.93Å; Q158-Y162 HydrophobicContact CG-CD2 4.12Å; Q158-Y162 HydrophobicContact CG-CE2 3.86Å; Q158-Y162 VanDerWaalsContact O-CD2 3.23Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.44Å; Q158-Y162 PolarHBondContact O-N 2.89Å; Q158-Y162 VanDerWaalsContact O-N 3.16Å
159	L	98.6	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-42.9	178.5	-68.9	170.6	0	0	0	111.4	A114 V122 I132 P143 L144 A147 M155 V156 R161 Y162 G163 A164	A114-L159 HydrophobicContact CB-CD1 3.95Å; V122-L159 HydrophobicContact CG1-CD2 3.91Å; I132-L159 HydrophobicContact CD1-CB 4.32Å; I132-L159 HydrophobicContact CD1-CD2 3.63Å; P143-L159 HydrophobicContact CB-CD1 4.34Å; L144-L159 HydrophobicContact CB-CD1 4.37Å; L144-L159 HydrophobicContact CD1-CB 4.22Å; L144-L159 HydrophobicContact CD1-CD1 4.41Å; A147-L159 HydrophobicContact CB-CD1 4.07Å; M155-L159 HydrophobicContact CG-CD1 3.86Å; M155-L159 HydrophobicContact CG-CG 4.22Å; M155-L159 WeakPolarHBondContact O-CB 3.17Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 2.98Å; M155-L159 HydrophobicContact SD-CD1 4.21Å; M155-L159 HydrophobicContact SD-CD2 4.46Å; M155-L159 HydrophobicContact SD-CG 4.01Å; V156-L159 PolarHBondContact O-N 3.01Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.05Å; L159-Y162 CarbonylContact O-C 3.46Å; L159-Y162 WeakPolarHBondContact O-CA 3.3Å; L159-Y162 WeakPolarHBondContact O-CB 3.29Å; L159-Y162 PolarHBondContact O-N 2.93Å; L159-G163 PolarHBondContact O-N 2.9Å; L159-A164 HydrophobicContact CB-CB 4.02Å; L159-A164 VanDerWaalsContact O-CB 3.29Å; L159-A164 WeakPolarHBondContact O-CB 3.24Å; L159-A164 PolarHBondContact O-N 3.23Å
160	M	98.1	Very high	97.4	Very high	30 Å²	30	41.3 Å²	41.3	15%	0.148	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-32.3	175.3	-70	-176.3	75.4	0	0	112.6	L144 V156 I157 Y162 G163 P166 Y191 L192 K195	L144-M160 HydrophobicContact CD1-CG 4.2Å; L144-M160 HydrophobicContact CD2-CG 4.3Å; V156-M160 HydrophobicContact CG1-SD 4.1Å; V156-M160 WeakPolarHBondContact O-CB 3.42Å; V156-M160 WeakPolarHBondContact O-CG 3.44Å; V156-M160 PolarHBondContact O-N 3.07Å; I157-M160 PolarHBondContact O-N 3.17Å; M160-Y162 VanDerWaalsContact C-N 3.27Å; M160-Y162 PolarHBondContact O-N 3.39Å; M160-G163 PolarHBondContact O-N 3.32Å; M160-P166 HydrophobicContact CE-CB 4.42Å; M160-P166 HydrophobicContact CE-CG 3.95Å; M160-Y191 HydrophobicContact SD-CD1 4.22Å; M160-Y191 HydrophobicContact SD-CE1 3.61Å; M160-L192 HydrophobicContact CE-CD2 4.25Å; M160-L192 HydrophobicContact SD-CD2 3.77Å; M160-K195 HydrophobicContact CE-CB 3.88Å; M160-K195 HydrophobicContact CE-CG 4.13Å
161	R	96.1	Very high	97.3	Very high	153 Å²	153	39.1 Å²	39.1	58%	0.577	23%	0.23	S	C	*	.	H	α-helix	trans	-65.2	-30.3	171	-77.6	176.9	174	176.7	-2.6	112.8	I157 Q158 L159 G163 E442	I157-R161 WeakPolarHBondContact O-CG 3.41Å; I157-R161 PolarHBondContact O-N 2.97Å; Q158-R161 WeakPolarHBondContact O-CB 3.21Å; Q158-R161 PolarHBondContact O-N 2.93Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.05Å; R161-G163 PolarHBondContact O-N 3.37Å; R161-E442 IonicContact CZ-OE2 3.64Å; R161-E442 IonicContact NE-OE2 3.54Å; R161-E442 IonicContact NH2-OE2 2.72Å; R161-E442 PolarHBondContact NH2-OE2 3.36Å
162	Y	97.3	Very high	97.3	Very high	93 Å²	93	41.8 Å²	41.8	37%	0.365	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	3.6	170.5	-75.6	-63.7	0	0	0	113.6	V122 M126 Q158 L159 M160	V122-Y162 HydrophobicContact CG1-CD2 4.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.23Å; M126-Y162 HydrophobicContact CB-CD1 4.22Å; M126-Y162 HydrophobicContact CB-CE1 4.06Å; M126-Y162 HydrophobicContact CE-CD1 4.48Å; M126-Y162 HydrophobicContact CE-CG 4.48Å; M126-Y162 HydrophobicContact CG-CD1 4.18Å; M126-Y162 HydrophobicContact CG-CD2 4.03Å; M126-Y162 HydrophobicContact CG-CE1 4.37Å; M126-Y162 HydrophobicContact CG-CE2 4.21Å; M126-Y162 HydrophobicContact CG-CG 4.03Å; Q158-Y162 HydrophobicContact CG-CD2 4.12Å; Q158-Y162 HydrophobicContact CG-CE2 3.86Å; Q158-Y162 VanDerWaalsContact O-CD2 3.23Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.44Å; Q158-Y162 PolarHBondContact O-N 2.89Å; Q158-Y162 VanDerWaalsContact O-N 3.16Å; L159-Y162 CarbonylContact O-C 3.46Å; L159-Y162 WeakPolarHBondContact O-CA 3.3Å; L159-Y162 WeakPolarHBondContact O-CB 3.29Å; L159-Y162 PolarHBondContact O-N 2.93Å; M160-Y162 VanDerWaalsContact C-N 3.27Å; M160-Y162 PolarHBondContact O-N 3.39Å
163	G	97.3	Very high	97.2	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	16.9	175.7	0	0	0	0	0	115.2	L159 M160 R161 D165	L159-G163 PolarHBondContact O-N 2.9Å; M160-G163 PolarHBondContact O-N 3.32Å; R161-G163 PolarHBondContact O-N 3.37Å; G163-D165 PolarHBondContact O-N 2.89Å
164	A	98.4	Very high	97.3	Very high	6 Å²	6	39 Å²	39	5%	0.05	22%	0.223	C	C	.	.			trans	-58.7	128.4	173.3	0	0	0	0	0	111	I132 D133 L144 L159 P166	I132-A164 HydrophobicContact CD1-CB 4.14Å; I132-A164 HydrophobicContact CG1-CB 3.66Å; D133-A164 WeakPolarHBondContact OD1-CA 3.09Å; L144-A164 HydrophobicContact CB-CB 4.19Å; L144-A164 HydrophobicContact CD2-CB 3.93Å; L144-A164 HydrophobicContact CG-CB 4.5Å; L159-A164 HydrophobicContact CB-CB 4.02Å; L159-A164 VanDerWaalsContact O-CB 3.29Å; L159-A164 WeakPolarHBondContact O-CB 3.24Å; L159-A164 PolarHBondContact O-N 3.23Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å
165	D	98.3	Very high	97.4	Very high	65 Å²	65	38.6 Å²	38.6	35%	0.348	21%	0.211	S	C	.	.			trans	-86.7	112	-178.8	-178.3	-1.3	0	0	0	111.5	D133 G163 S167 I168	D133-D165 PolarHBondContact OD1-N 2.85Å; D133-D165 PolarHBondContact OD2-N 3.4Å; G163-D165 PolarHBondContact O-N 2.89Å; D165-S167 PolarHBondContact O-N 3.38Å; D165-S167 VanDerWaalsContact OD1-CB 3.23Å; D165-S167 WeakPolarHBondContact OD1-CB 3.34Å; D165-S167 PolarHBondContact OD1-N 3Å; D165-S167 PolarHBondContact OD1-OG 3.15Å; D165-S167 PolarHBondContact OD2-OG 3.48Å; D165-S167 VanDerWaalsContact OD2-OG 3.06Å; D165-I168 HydrophobicContact CB-CD1 3.9Å; D165-I168 HydrophobicContact CB-CG1 3.99Å
166	P	98	Very high	97.4	Very high	15 Å²	15	38.6 Å²	38.6	10%	0.097	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	180	31	-37	0	0	0	114	L144 M160 A164 S176 L192 E197	L144-P166 HydrophobicContact CD2-CB 4.16Å; M160-P166 HydrophobicContact CE-CB 4.42Å; M160-P166 HydrophobicContact CE-CG 3.95Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-S176 VanDerWaalsContact CA-OG 3.3Å; P166-S176 WeakPolarHBondContact CA-OG 3.43Å; P166-S176 WeakPolarHBondContact O-CB 3.29Å; P166-S176 PolarHBondContact O-N 2.9Å; P166-S176 VanDerWaalsContact O-N 3.1Å; P166-S176 PolarHBondContact O-OG 3.22Å; P166-S176 VanDerWaalsContact O-OG 3.07Å; P166-L192 HydrophobicContact CB-CD2 3.92Å; P166-E197 HydrophobicContact CB-CG 4.13Å; P166-E197 HydrophobicContact CG-CG 4.03Å; P166-E197 WeakPolarHBondContact CG-OE1 3.3Å
167	S	97.1	Very high	97.4	Very high	40 Å²	40	38.7 Å²	38.7	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.1	-175.4	80.1	0	0	0	0	113.8	D165 R175	D165-S167 PolarHBondContact O-N 3.38Å; D165-S167 VanDerWaalsContact OD1-CB 3.23Å; D165-S167 WeakPolarHBondContact OD1-CB 3.34Å; D165-S167 PolarHBondContact OD1-N 3Å; D165-S167 PolarHBondContact OD1-OG 3.15Å; D165-S167 PolarHBondContact OD2-OG 3.48Å; D165-S167 VanDerWaalsContact OD2-OG 3.06Å; S167-R175 WeakPolarHBondContact O-CD 3.44Å; S167-R175 WeakPolarHBondContact O-CG 3.34Å
168	I	97.8	Very high	97.5	Very high	45 Å²	45	38.3 Å²	38.3	23%	0.231	21%	0.21	C	C	.	.			trans	-59.7	138.8	174.7	-63.8	175.1	0	0	0	109.3	D133 L135 T142 H145 D165	D133-I168 HydrophobicContact CB-CD1 3.63Å; L135-I168 HydrophobicContact CD2-CG2 4.12Å; T142-I168 HydrophobicContact CG2-CB 4.42Å; T142-I168 HydrophobicContact CG2-CD1 4.19Å; T142-I168 HydrophobicContact CG2-CG2 3.92Å; H145-I168 PolarHBondContact CE1-O 3.34Å; H145-I168 PolarHBondContact NE2-O 2.63Å; D165-I168 HydrophobicContact CB-CD1 3.9Å; D165-I168 HydrophobicContact CB-CG1 3.99Å
169	T	97.3	Very high	97.5	Very high	57 Å²	57	37.4 Å²	37.4	35%	0.35	21%	0.206	S	C	.	.			trans	-94.9	139	175	53.2	0	0	0	0	110.8	Y174 R175	T169-Y174 CarbonylContact C-O 3.18Å; T169-Y174 WeakPolarHBondContact CA-O 3.47Å; T169-R175 HydrophobicContact CG2-CG 3.7Å
170	D	97.6	Very high	97.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.027	21%	0.206	C	C	.	.			trans	-74.1	179.3	165.3	69.8	12.6	0	0	0	112.4	S141 H145 R149 E172 G173 Y174	S141-D170 WeakPolarHBondContact OG-CB 3.48Å; H145-D170 PolarHBondContact CE1-N 3.06Å; R149-D170 IonicContact CZ-OD2 3.32Å; R149-D170 IonicContact NE-OD2 3.3Å; R149-D170 IonicContact NH2-OD2 3.92Å; R149-D170 PolarHBondContact NH2-OD2 2.99Å; D170-E172 PolarHBondContact O-N 2.85Å; D170-E172 WeakPolarHBondContact OD1-CA 3.4Å; D170-E172 WeakPolarHBondContact OD1-CB 3.19Å; D170-E172 PolarHBondContact OD1-N 3.39Å; D170-G173 WeakPolarHBondContact O-CA 3.41Å; D170-G173 PolarHBondContact O-N 2.98Å; D170-G173 PolarHBondContact OD1-N 3.36Å; D170-Y174 PolarHBondContact N-O 3.3Å; D170-Y174 PolarHBondContact OD1-N 3.25Å
171	G	97.1	Very high	97.5	Very high	54 Å²	54	36 Å²	36	56%	0.557	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.2	178.3	0	0	0	0	0	114.6	L139 G173	L139-G171 WeakPolarHBondContact O-CA 3.23Å; L139-G171 PolarHBondContact O-N 2.9Å; G171-G173 VanDerWaalsContact C-N 3.31Å
172	E	95.5	Very high	97.5	Very high	81 Å²	81	30.5 Å²	30.5	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.8	169.4	-56.8	-169.5	101.4	0	0	111.9	L139 R149 D170 Y174	L139-E172 HydrophobicContact CD2-CG 3.89Å; R149-E172 IonicContact CZ-OE2 2.97Å; R149-E172 IonicContact NH1-OE2 3.34Å; R149-E172 PolarHBondContact NH1-OE2 3.21Å; R149-E172 IonicContact NH2-OE2 3.41Å; R149-E172 PolarHBondContact NH2-OE2 3.13Å; D170-E172 PolarHBondContact O-N 2.85Å; D170-E172 WeakPolarHBondContact OD1-CA 3.4Å; D170-E172 WeakPolarHBondContact OD1-CB 3.19Å; D170-E172 PolarHBondContact OD1-N 3.39Å; E172-Y174 HydrophobicContact CB-CD2 3.65Å; E172-Y174 HydrophobicContact CB-CE2 3.71Å
173	G	95.9	Very high	97.5	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	92.9	3.8	-178.8	0	0	0	0	0	115.3	D170 G171 D203 C204	D170-G173 WeakPolarHBondContact O-CA 3.41Å; D170-G173 PolarHBondContact O-N 2.98Å; D170-G173 PolarHBondContact OD1-N 3.36Å; G171-G173 VanDerWaalsContact C-N 3.31Å; G173-D203 WeakPolarHBondContact O-CB 3.37Å; G173-C204 WeakPolarHBondContact CA-SG 3.38Å; G173-C204 PolarHBondContact O-N 3.46Å; G173-C204 VanDerWaalsContact O-N 3.16Å
174	Y	97.6	Very high	97.4	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.039	18%	0.178	C	C	.	.			trans	-88.6	133.9	-174.2	-63.2	-45.9	0	0	0	111.7	T169 D170 E172 H178 L179 L182 D203 L212 K216	T169-Y174 CarbonylContact C-O 3.18Å; T169-Y174 WeakPolarHBondContact CA-O 3.47Å; D170-Y174 PolarHBondContact N-O 3.3Å; D170-Y174 PolarHBondContact OD1-N 3.25Å; E172-Y174 HydrophobicContact CB-CD2 3.65Å; E172-Y174 HydrophobicContact CB-CE2 3.71Å; Y174-H178 HydrophobicContact CD1-CB 3.87Å; Y174-H178 HydrophobicContact CG-CB 4.23Å; Y174-L179 HydrophobicContact CD2-CD2 3.95Å; Y174-L179 HydrophobicContact CG-CD2 4.12Å; Y174-L182 HydrophobicContact CD2-CD2 4.45Å; Y174-L182 HydrophobicContact CE2-CD2 4.13Å; Y174-D203 HydrophobicContact CD1-CB 4.15Å; Y174-D203 VanDerWaalsContact CE1-OD2 3.27Å; Y174-D203 WeakPolarHBondContact CE1-OD2 3.46Å; Y174-L212 HydrophobicContact CD1-CD1 3.81Å; Y174-L212 HydrophobicContact CE1-CD1 3.54Å; Y174-L212 HydrophobicContact CE1-CD2 3.99Å; Y174-L212 HydrophobicContact CE1-CG 4.45Å; Y174-K216 PolarHBondContact OH-NZ 3.24Å
175	R	97.4	Very high	97.2	Very high	71 Å²	71	34.7 Å²	34.7	27%	0.268	19%	0.187	S	C	.	.			trans	-84.2	171.5	165.5	-50	-179.1	-175.2	-145.1	-1.6	111	S167 T169 L177 H178 L179	S167-R175 WeakPolarHBondContact O-CD 3.44Å; S167-R175 WeakPolarHBondContact O-CG 3.34Å; T169-R175 HydrophobicContact CG2-CG 3.7Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.35Å; R175-H178 PolarHBondContact N-ND1 3.06Å; R175-H178 WeakPolarHBondContact O-CB 3.44Å; R175-H178 PolarHBondContact O-N 2.88Å; R175-L179 PolarHBondContact O-N 3.36Å; R175-L179 VanDerWaalsContact O-N 3.09Å
176	S	98.3	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-52.2	-44.8	180	-71.5	0	0	0	0	114.3	I148 P166 L179 A180	I148-S176 VanDerWaalsContact CD1-OG 3.29Å; I148-S176 WeakPolarHBondContact CD1-OG 3.47Å; P166-S176 VanDerWaalsContact CA-OG 3.3Å; P166-S176 WeakPolarHBondContact CA-OG 3.43Å; P166-S176 WeakPolarHBondContact O-CB 3.29Å; P166-S176 PolarHBondContact O-N 2.9Å; P166-S176 VanDerWaalsContact O-N 3.1Å; P166-S176 PolarHBondContact O-OG 3.22Å; P166-S176 VanDerWaalsContact O-OG 3.07Å; S176-L179 PolarHBondContact O-N 3.05Å; S176-A180 PolarHBondContact O-N 3.1Å
177	L	98.3	Very high	96.5	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-39.9	179.1	-176.3	59.3	0	0	0	112.2	R175 L179 A180 I181 A189 L192 M193 P209	R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.35Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.06Å; L177-A180 PolarHBondContact O-N 3.35Å; L177-I181 HydrophobicContact CD1-CG1 4.31Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.27Å; L177-I181 PolarHBondContact O-N 2.99Å; L177-A189 HydrophobicContact CD1-CB 3.79Å; L177-L192 HydrophobicContact CB-CD1 4.47Å; L177-M193 HydrophobicContact CD1-CG 4.12Å; L177-M193 HydrophobicContact CD2-CG 4.09Å; L177-P209 HydrophobicContact CD2-CG 4.05Å; L177-P209 HydrophobicContact CG-CG 4.13Å
178	H	98.4	Very high	96.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175.7	-59.6	98.4	0	0	0	111.3	Y174 R175 I181 L182 V201 D203 Q207 L212	Y174-H178 HydrophobicContact CD1-CB 3.87Å; Y174-H178 HydrophobicContact CG-CB 4.23Å; R175-H178 PolarHBondContact N-ND1 3.06Å; R175-H178 WeakPolarHBondContact O-CB 3.44Å; R175-H178 PolarHBondContact O-N 2.88Å; H178-I181 PolarHBondContact O-N 2.91Å; H178-L182 VanDerWaalsContact O-CB 3.31Å; H178-L182 WeakPolarHBondContact O-CB 2.96Å; H178-L182 PolarHBondContact O-N 2.78Å; H178-V201 PolarHBondContact CE1-O 3.07Å; H178-V201 PolarHBondContact NE2-O 3.02Å; H178-V201 VanDerWaalsContact NE2-O 3.08Å; H178-D203 PolarHBondContact CE1-N 3.1Å; H178-D203 PolarHBondContact NE2-N 3.18Å; H178-Q207 PolarHBondContact NE2-O 3.46Å; H178-L212 HydrophobicContact CB-CD1 3.89Å
179	L	98.4	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-45.4	176.4	-64	178.6	0	0	0	111.7	H145 I148 R149 Y174 R175 S176 L177 I181 L182 F183	H145-L179 HydrophobicContact CB-CD1 3.65Å; H145-L179 VanDerWaalsContact CD2-CD1 3.45Å; H145-L179 WeakPolarHBondContact CD2-CD1 3.44Å; I148-L179 HydrophobicContact CG2-CB 3.72Å; R149-L179 HydrophobicContact CG-CD1 4.39Å; R149-L179 HydrophobicContact CG-CD2 4.44Å; R149-L179 VanDerWaalsContact NH2-CD2 3.33Å; Y174-L179 HydrophobicContact CD2-CD2 3.95Å; Y174-L179 HydrophobicContact CG-CD2 4.12Å; R175-L179 PolarHBondContact O-N 3.36Å; R175-L179 VanDerWaalsContact O-N 3.09Å; S176-L179 PolarHBondContact O-N 3.05Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.06Å; L179-I181 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-F183 HydrophobicContact CD2-CE2 4.29Å; L179-F183 VanDerWaalsContact O-CD2 3.29Å; L179-F183 WeakPolarHBondContact O-CD2 3.36Å; L179-F183 PolarHBondContact O-N 3.41Å
180	A	97.9	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-38.2	178.5	0	0	0	0	0	111.9	I148 S176 L177 Q184 H185 I188 A189 L192	I148-A180 HydrophobicContact CG2-CB 3.93Å; S176-A180 PolarHBondContact O-N 3.1Å; L177-A180 PolarHBondContact O-N 3.35Å; A180-Q184 PolarHBondContact O-N 3.34Å; A180-H185 PolarHBondContact O-N 2.79Å; A180-I188 HydrophobicContact CB-CB 4.22Å; A180-I188 HydrophobicContact CB-CG2 3.84Å; A180-A189 HydrophobicContact CB-CB 3.99Å; A180-L192 HydrophobicContact CB-CD1 4.09Å
181	I	97.8	Very high	96	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-72.2	-47.9	175.8	-67.5	-57	0	0	0	111.6	L177 H178 L179 F183 Q184 M186 A189 P209 A213 I217 P222 F225 L226	L177-I181 HydrophobicContact CD1-CG1 4.31Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.27Å; L177-I181 PolarHBondContact O-N 2.99Å; H178-I181 PolarHBondContact O-N 2.91Å; L179-I181 PolarHBondContact O-N 3.48Å; I181-F183 VanDerWaalsContact C-N 3.25Å; I181-F183 PolarHBondContact O-N 3.26Å; I181-Q184 PolarHBondContact O-N 3.36Å; I181-M186 HydrophobicContact CD1-SD 4.22Å; I181-A189 HydrophobicContact CD1-CB 3.81Å; I181-A189 HydrophobicContact CG1-CB 4.47Å; I181-P209 HydrophobicContact CG1-CB 4.09Å; I181-A213 HydrophobicContact CG2-CB 3.94Å; I181-I217 WeakPolarHBondContact O-CD1 3.47Å; I181-P222 HydrophobicContact CD1-CB 4.07Å; I181-P222 HydrophobicContact CG2-CB 3.95Å; I181-P222 HydrophobicContact CG2-CG 3.7Å; I181-F225 HydrophobicContact CD1-CD1 4.16Å; I181-F225 HydrophobicContact CD1-CE1 4.24Å; I181-L226 HydrophobicContact CD1-CD1 4.13Å; I181-L226 HydrophobicContact CD1-CD2 3.78Å; I181-L226 HydrophobicContact CD1-CG 3.99Å; I181-L226 HydrophobicContact CG1-CD1 4.31Å; I181-L226 HydrophobicContact CG1-CD2 4.16Å; I181-L226 HydrophobicContact CG2-CD1 3.98Å
182	L	96.7	Very high	95.9	Very high	36 Å²	36	24.9 Å²	24.9	19%	0.188	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-40.2	-179	-173.7	62.8	0	0	0	112	Y174 H178 L179 K216	Y174-L182 HydrophobicContact CD2-CD2 4.45Å; Y174-L182 HydrophobicContact CE2-CD2 4.13Å; H178-L182 VanDerWaalsContact O-CB 3.31Å; H178-L182 WeakPolarHBondContact O-CB 2.96Å; H178-L182 PolarHBondContact O-N 2.78Å; L179-L182 PolarHBondContact O-N 2.89Å; L182-K216 HydrophobicContact CD1-CB 3.95Å; L182-K216 HydrophobicContact CD1-CD 3.71Å; L182-K216 HydrophobicContact CD1-CG 4.47Å
183	F	96.1	Very high	95.9	Very high	81 Å²	81	21.8 Å²	21.8	36%	0.355	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8	178.4	-67.9	-80	0	0	0	113.8	R149 L179 I181 H185	R149-F183 HydrophobicContact CB-CD2 4.32Å; R149-F183 HydrophobicContact CB-CE2 4.22Å; R149-F183 HydrophobicContact CB-CZ 4.49Å; R149-F183 HydrophobicContact CG-CD2 3.96Å; R149-F183 HydrophobicContact CG-CE2 3.59Å; R149-F183 HydrophobicContact CG-CZ 4.14Å; L179-F183 HydrophobicContact CD2-CE2 4.29Å; L179-F183 VanDerWaalsContact O-CD2 3.29Å; L179-F183 WeakPolarHBondContact O-CD2 3.36Å; L179-F183 PolarHBondContact O-N 3.41Å; I181-F183 VanDerWaalsContact C-N 3.25Å; I181-F183 PolarHBondContact O-N 3.26Å; F183-H185 VanDerWaalsContact C-N 3.28Å; F183-H185 VanDerWaalsContact CB-CD2 3.5Å; F183-H185 WeakPolarHBondContact CB-CD2 3.35Å; F183-H185 PolarHBondContact O-N 3.41Å
184	Q	95.1	Very high	95.7	Very high	105 Å²	105	22.5 Å²	22.5	49%	0.491	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	29.2	174.1	-59.1	176	57.6	0	0	115.6	A180 I181 M186 I217 P222	A180-Q184 PolarHBondContact O-N 3.34Å; I181-Q184 PolarHBondContact O-N 3.36Å; Q184-M186 HydrophobicContact CB-CE 3.81Å; Q184-M186 HydrophobicContact CG-CE 4.22Å; Q184-M186 PolarHBondContact O-N 2.91Å; Q184-M186 VanDerWaalsContact O-N 3.13Å; Q184-I217 HydrophobicContact CG-CD1 3.99Å; Q184-I217 HydrophobicContact CG-CG2 4.21Å; Q184-P222 HydrophobicContact CG-CG 4.39Å
185	H	94.7	Very high	95.6	Very high	54 Å²	54	26.6 Å²	26.6	25%	0.25	13%	0.131	C	C	.	.			trans	-87.8	69.1	177.8	-62.4	-54.4	0	0	0	111.6	I148 R149 G151 A180 F183 A187 I188 A189	I148-H185 PolarHBondContact O-CD2 3.06Å; R149-H185 PolarHBondContact O-NE2 3.27Å; G151-H185 VanDerWaalsContact CA-CD2 3.5Å; G151-H185 WeakPolarHBondContact CA-CD2 3.46Å; G151-H185 WeakPolarHBondContact CA-CE1 3.43Å; G151-H185 WeakPolarHBondContact CA-ND1 3.39Å; G151-H185 WeakPolarHBondContact CA-NE2 3.3Å; G151-H185 PolarHBondContact N-NE2 3.04Å; A180-H185 PolarHBondContact O-N 2.79Å; F183-H185 VanDerWaalsContact C-N 3.28Å; F183-H185 VanDerWaalsContact CB-CD2 3.5Å; F183-H185 WeakPolarHBondContact CB-CD2 3.35Å; F183-H185 PolarHBondContact O-N 3.41Å; H185-A187 PolarHBondContact O-N 2.77Å; H185-A187 VanDerWaalsContact O-N 3.08Å; H185-I188 HydrophobicContact CB-CB 4.13Å; H185-I188 HydrophobicContact CB-CD1 3.9Å; H185-I188 HydrophobicContact CB-CG1 4.18Å; H185-I188 WeakPolarHBondContact O-CA 3.2Å; H185-I188 WeakPolarHBondContact O-CB 3.37Å; H185-I188 PolarHBondContact O-N 2.91Å; H185-A189 PolarHBondContact O-N 3.31Å
186	M	91.4	Very high	95.3	Very high	31 Å²	31	25.7 Å²	25.7	15%	0.153	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-28.5	-173.2	-53.4	-47.5	154.4	0	0	114.4	I181 Q184 I188 A189 A190 P222 F225	I181-M186 HydrophobicContact CD1-SD 4.22Å; Q184-M186 HydrophobicContact CB-CE 3.81Å; Q184-M186 HydrophobicContact CG-CE 4.22Å; Q184-M186 PolarHBondContact O-N 2.91Å; Q184-M186 VanDerWaalsContact O-N 3.13Å; M186-I188 VanDerWaalsContact C-N 3.33Å; M186-A189 PolarHBondContact O-N 3.1Å; M186-A190 WeakPolarHBondContact O-CB 3.49Å; M186-A190 PolarHBondContact O-N 3.27Å; M186-P222 HydrophobicContact CE-CB 3.37Å; M186-P222 HydrophobicContact CE-CG 3.68Å; M186-P222 HydrophobicContact SD-CB 3.9Å; M186-F225 HydrophobicContact CB-CD2 4.33Å; M186-F225 HydrophobicContact CB-CE2 4.31Å; M186-F225 HydrophobicContact CB-CZ 4.5Å; M186-F225 HydrophobicContact CG-CG 4.4Å; M186-F225 HydrophobicContact SD-CB 4.28Å; M186-F225 HydrophobicContact SD-CD1 3.83Å; M186-F225 HydrophobicContact SD-CE1 4.34Å; M186-F225 HydrophobicContact SD-CG 4.03Å
187	A	91.1	Very high	95.2	Very high	39 Å²	39	27.3 Å²	27.3	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-65.8	-37.6	175.2	0	0	0	0	0	112	L153 H185 Y191 L446	L153-A187 HydrophobicContact CD2-CB 4.15Å; H185-A187 PolarHBondContact O-N 2.77Å; H185-A187 VanDerWaalsContact O-N 3.08Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 3.43Å; A187-Y191 VanDerWaalsContact O-N 3.11Å; A187-L446 HydrophobicContact CB-CD2 4Å
188	I	95.3	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-71.4	-46.3	173.4	-64.2	177.3	0	0	0	109.8	I148 L153 V156 A180 H185 M186 A190 Y191 L192	I148-I188 HydrophobicContact CG1-CG2 4.04Å; I148-I188 HydrophobicContact CG2-CG2 4.24Å; L153-I188 HydrophobicContact CB-CG1 3.95Å; L153-I188 HydrophobicContact CD1-CG1 4Å; V156-I188 HydrophobicContact CG1-CG2 4.28Å; V156-I188 HydrophobicContact CG2-CD1 4.03Å; V156-I188 HydrophobicContact CG2-CG1 4.46Å; V156-I188 HydrophobicContact CG2-CG2 4.29Å; A180-I188 HydrophobicContact CB-CB 4.22Å; A180-I188 HydrophobicContact CB-CG2 3.84Å; H185-I188 HydrophobicContact CB-CB 4.13Å; H185-I188 HydrophobicContact CB-CD1 3.9Å; H185-I188 HydrophobicContact CB-CG1 4.18Å; H185-I188 WeakPolarHBondContact O-CA 3.2Å; H185-I188 WeakPolarHBondContact O-CB 3.37Å; H185-I188 PolarHBondContact O-N 2.91Å; M186-I188 VanDerWaalsContact C-N 3.33Å; I188-A190 VanDerWaalsContact C-N 3.32Å; I188-A190 PolarHBondContact O-N 2.86Å; I188-Y191 PolarHBondContact O-N 2.73Å; I188-Y191 VanDerWaalsContact O-N 3.1Å; I188-L192 HydrophobicContact CG2-CD1 3.85Å; I188-L192 HydrophobicContact CG2-CG 4.17Å; I188-L192 WeakPolarHBondContact O-CG 3.2Å; I188-L192 PolarHBondContact O-N 3.12Å
189	A	95.4	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-44.8	177.7	0	0	0	0	0	111.9	L177 A180 I181 H185 M186 Y191 L192 M193 F225	L177-A189 HydrophobicContact CD1-CB 3.79Å; A180-A189 HydrophobicContact CB-CB 3.99Å; I181-A189 HydrophobicContact CD1-CB 3.81Å; I181-A189 HydrophobicContact CG1-CB 4.47Å; H185-A189 PolarHBondContact O-N 3.31Å; M186-A189 PolarHBondContact O-N 3.1Å; A189-Y191 VanDerWaalsContact C-N 3.35Å; A189-Y191 PolarHBondContact O-N 2.95Å; A189-L192 PolarHBondContact O-N 3.38Å; A189-M193 WeakPolarHBondContact O-CG 3.39Å; A189-M193 PolarHBondContact O-N 3.07Å; A189-F225 HydrophobicContact CB-CE1 3.77Å; A189-F225 HydrophobicContact CB-CZ 4.18Å
190	A	92.8	Very high	94.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-45.9	173.6	0	0	0	0	0	111.8	M186 I188 A194 F225 V437 M456	M186-A190 WeakPolarHBondContact O-CB 3.49Å; M186-A190 PolarHBondContact O-N 3.27Å; I188-A190 VanDerWaalsContact C-N 3.32Å; I188-A190 PolarHBondContact O-N 2.86Å; A190-A194 VanDerWaalsContact O-CB 3.29Å; A190-A194 WeakPolarHBondContact O-CB 3.25Å; A190-A194 PolarHBondContact O-N 3.11Å; A190-F225 HydrophobicContact CB-CE2 4.36Å; A190-F225 HydrophobicContact CB-CZ 4.05Å; A190-V437 HydrophobicContact CB-CG1 4.07Å; A190-V437 HydrophobicContact CB-CG2 4.44Å; A190-M456 HydrophobicContact CB-CE 3.81Å; A190-M456 HydrophobicContact CB-SD 4.47Å
191	Y	94.3	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-46.5	178.6	178.4	-104.5	0	0	0	111.9	L153 V156 I157 M160 A187 I188 A189 M193 A194 K195 A441 E442	L153-Y191 HydrophobicContact CD1-CD1 4.27Å; L153-Y191 HydrophobicContact CD1-CG 4.09Å; V156-Y191 HydrophobicContact CG1-CD1 4.17Å; V156-Y191 HydrophobicContact CG1-CE1 4.32Å; I157-Y191 HydrophobicContact CB-CE1 4.47Å; I157-Y191 HydrophobicContact CG1-CD1 4.23Å; I157-Y191 HydrophobicContact CG1-CD2 4.35Å; I157-Y191 HydrophobicContact CG1-CE1 3.77Å; I157-Y191 HydrophobicContact CG1-CE2 3.92Å; I157-Y191 HydrophobicContact CG1-CG 4.5Å; M160-Y191 HydrophobicContact SD-CD1 4.22Å; M160-Y191 HydrophobicContact SD-CE1 3.61Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 3.43Å; A187-Y191 VanDerWaalsContact O-N 3.11Å; I188-Y191 PolarHBondContact O-N 2.73Å; I188-Y191 VanDerWaalsContact O-N 3.1Å; A189-Y191 VanDerWaalsContact C-N 3.35Å; A189-Y191 PolarHBondContact O-N 2.95Å; Y191-M193 PolarHBondContact O-N 2.76Å; Y191-A194 CarbonylContact O-C 3.48Å; Y191-A194 PolarHBondContact O-N 2.89Å; Y191-A194 VanDerWaalsContact O-N 3.15Å; Y191-K195 HydrophobicContact CD1-CG 4.26Å; Y191-K195 HydrophobicContact CD2-CG 4.29Å; Y191-K195 HydrophobicContact CE1-CG 3.84Å; Y191-K195 HydrophobicContact CE2-CD 3.95Å; Y191-K195 HydrophobicContact CE2-CG 3.87Å; Y191-K195 HydrophobicContact CG-CG 4.47Å; Y191-K195 WeakPolarHBondContact O-CG 3.4Å; Y191-K195 PolarHBondContact O-N 2.81Å; Y191-A441 HydrophobicContact CD2-CB 3.58Å; Y191-A441 HydrophobicContact CE2-CB 4.12Å; Y191-A441 HydrophobicContact CG-CB 4.38Å; Y191-E442 HydrophobicContact CE2-CG 4.11Å
192	L	96.5	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-49.1	177.2	-70.9	172.7	0	0	0	111.7	I148 M160 P166 L177 A180 I188 A189 A194 K195 G196 E197	I148-L192 HydrophobicContact CD1-CD1 4.29Å; M160-L192 HydrophobicContact CE-CD2 4.25Å; M160-L192 HydrophobicContact SD-CD2 3.77Å; P166-L192 HydrophobicContact CB-CD2 3.92Å; L177-L192 HydrophobicContact CB-CD1 4.47Å; A180-L192 HydrophobicContact CB-CD1 4.09Å; I188-L192 HydrophobicContact CG2-CD1 3.85Å; I188-L192 HydrophobicContact CG2-CG 4.17Å; I188-L192 WeakPolarHBondContact O-CG 3.2Å; I188-L192 PolarHBondContact O-N 3.12Å; A189-L192 PolarHBondContact O-N 3.38Å; L192-A194 VanDerWaalsContact C-N 3.27Å; L192-A194 PolarHBondContact O-N 2.87Å; L192-K195 CarbonylContact O-C 3.55Å; L192-K195 PolarHBondContact O-N 3.47Å; L192-G196 PolarHBondContact O-N 3.19Å; L192-E197 HydrophobicContact CB-CB 4.23Å; L192-E197 HydrophobicContact CB-CG 4.04Å; L192-E197 HydrophobicContact CD2-CG 4.47Å; L192-E197 WeakPolarHBondContact O-CB 3.47Å; L192-E197 PolarHBondContact O-N 2.87Å
193	M	94.9	Very high	94.6	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-35.8	176.6	-70.5	-174.3	-67.9	0	0	112.4	L177 A189 Y191 K195 G196 E197 V199 F225 N229	L177-M193 HydrophobicContact CD1-CG 4.12Å; L177-M193 HydrophobicContact CD2-CG 4.09Å; A189-M193 WeakPolarHBondContact O-CG 3.39Å; A189-M193 PolarHBondContact O-N 3.07Å; Y191-M193 PolarHBondContact O-N 2.76Å; M193-K195 VanDerWaalsContact C-N 3.32Å; M193-G196 PolarHBondContact O-N 3.36Å; M193-E197 WeakPolarHBondContact CA-O 3.34Å; M193-V199 HydrophobicContact SD-CB 4.13Å; M193-V199 HydrophobicContact SD-CG2 3.96Å; M193-F225 HydrophobicContact CE-CE1 3.34Å; M193-F225 HydrophobicContact CE-CE2 4.41Å; M193-F225 HydrophobicContact CE-CZ 3.29Å; M193-N229 HydrophobicContact CE-CB 4.03Å; M193-N229 HydrophobicContact SD-CB 3.97Å
194	A	92.3	Very high	94.4	Very high	19 Å²	19	40 Å²	40	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-71.1	-26.9	175.7	0	0	0	0	0	113.1	A190 Y191 L192 G196 K434 V437 V438	A190-A194 VanDerWaalsContact O-CB 3.29Å; A190-A194 WeakPolarHBondContact O-CB 3.25Å; A190-A194 PolarHBondContact O-N 3.11Å; Y191-A194 CarbonylContact O-C 3.48Å; Y191-A194 PolarHBondContact O-N 2.89Å; Y191-A194 VanDerWaalsContact O-N 3.15Å; L192-A194 VanDerWaalsContact C-N 3.27Å; L192-A194 PolarHBondContact O-N 2.87Å; A194-G196 VanDerWaalsContact C-N 3.29Å; A194-K434 HydrophobicContact CB-CB 4.07Å; A194-K434 HydrophobicContact CB-CG 4.37Å; A194-V437 HydrophobicContact CB-CB 3.97Å; A194-V437 HydrophobicContact CB-CG1 4.04Å; A194-V438 HydrophobicContact CB-CG2 3.69Å
195	K	94.1	Very high	94	Very high	97 Å²	97	38.2 Å²	38.2	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.5	172.6	-64	-65.5	-74.1	-162.8	0	113.7	M160 Y191 L192 M193 V438 E442	M160-K195 HydrophobicContact CE-CB 3.88Å; M160-K195 HydrophobicContact CE-CG 4.13Å; Y191-K195 HydrophobicContact CD1-CG 4.26Å; Y191-K195 HydrophobicContact CD2-CG 4.29Å; Y191-K195 HydrophobicContact CE1-CG 3.84Å; Y191-K195 HydrophobicContact CE2-CD 3.95Å; Y191-K195 HydrophobicContact CE2-CG 3.87Å; Y191-K195 HydrophobicContact CG-CG 4.47Å; Y191-K195 WeakPolarHBondContact O-CG 3.4Å; Y191-K195 PolarHBondContact O-N 2.81Å; L192-K195 CarbonylContact O-C 3.55Å; L192-K195 PolarHBondContact O-N 3.47Å; M193-K195 VanDerWaalsContact C-N 3.32Å; K195-V438 HydrophobicContact CD-CG1 4.34Å; K195-V438 HydrophobicContact CD-CG2 3.96Å; K195-E442 IonicContact NZ-OE1 3.54Å; K195-E442 PolarHBondContact NZ-OE1 3.15Å
196	G	92.5	Very high	94	Very high	52 Å²	52	36.1 Å²	36.1	54%	0.536	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	-0.8	170.5	0	0	0	0	0	115.4	L192 M193 A194 E198	L192-G196 PolarHBondContact O-N 3.19Å; M193-G196 PolarHBondContact O-N 3.36Å; A194-G196 VanDerWaalsContact C-N 3.29Å; G196-E198 PolarHBondContact O-N 3.35Å
197	E	95.4	Very high	94.2	Very high	34 Å²	34	35.8 Å²	35.8	16%	0.159	21%	0.213	C	C	.	.			trans	-63.9	121.5	173	-70.2	-68.5	101.7	0	0	110.1	P166 L192 M193	P166-E197 HydrophobicContact CB-CG 4.13Å; P166-E197 HydrophobicContact CG-CG 4.03Å; P166-E197 WeakPolarHBondContact CG-OE1 3.3Å; L192-E197 HydrophobicContact CB-CB 4.23Å; L192-E197 HydrophobicContact CB-CG 4.04Å; L192-E197 HydrophobicContact CD2-CG 4.47Å; L192-E197 WeakPolarHBondContact O-CB 3.47Å; L192-E197 PolarHBondContact O-N 2.87Å; M193-E197 WeakPolarHBondContact CA-O 3.34Å
198	E	95	Very high	94.5	Very high	144 Å²	144	34.2 Å²	34.2	67%	0.673	20%	0.199	S	C	*	.			trans	-74.3	135.5	177.7	-75.6	178.1	-160.9	0	0	111.1	G196 D200 V201	G196-E198 PolarHBondContact O-N 3.35Å; E198-D200 VanDerWaalsContact C-N 3.29Å; E198-D200 PolarHBondContact O-N 3.04Å; E198-V201 HydrophobicContact CB-CG2 3.54Å; E198-V201 PolarHBondContact O-N 3.5Å
199	V	95.4	Very high	94.6	Very high	22 Å²	22	34.1 Å²	34.1	13%	0.133	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.5	-171.5	68.6	0	0	0	0	114.2	M193 P209 L226 A231	M193-V199 HydrophobicContact SD-CB 4.13Å; M193-V199 HydrophobicContact SD-CG2 3.96Å; V199-P209 VanDerWaalsContact O-CD 3.23Å; V199-P209 WeakPolarHBondContact O-CD 3.3Å; V199-P209 VanDerWaalsContact O-CG 3.32Å; V199-P209 WeakPolarHBondContact O-CG 3.42Å; V199-L226 HydrophobicContact CG2-CD2 3.81Å; V199-A231 HydrophobicContact CG1-CB 4.48Å; V199-A231 HydrophobicContact CG2-CB 3.81Å
200	D	96.9	Very high	94.8	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	9.3	-173	-74.7	-38	0	0	0	113.4	E198 P202 T208 S232	E198-D200 VanDerWaalsContact C-N 3.29Å; E198-D200 PolarHBondContact O-N 3.04Å; D200-P202 WeakPolarHBondContact O-CD 3.34Å; D200-T208 WeakPolarHBondContact O-CG2 3.4Å; D200-S232 PolarHBondContact OD1-N 3.41Å; D200-S232 WeakPolarHBondContact OD2-CB 3.25Å; D200-S232 PolarHBondContact OD2-N 3.01Å
201	V	96.7	Very high	95	Very high	30 Å²	30	34 Å²	34	18%	0.182	20%	0.198	C	C	.	.			trans	-64.9	124.5	177.2	170.4	0	0	0	0	109.4	H178 E198	H178-V201 PolarHBondContact CE1-O 3.07Å; H178-V201 PolarHBondContact NE2-O 3.02Å; H178-V201 VanDerWaalsContact NE2-O 3.08Å; E198-V201 HydrophobicContact CB-CG2 3.54Å; E198-V201 PolarHBondContact O-N 3.5Å
202	P	95.6	Very high	95.1	Very high	58 Å²	58	34 Å²	34	38%	0.377	20%	0.198	S	C	.	.			trans	-76	151.8	-177.9	29	-33.6	0	0	0	112.8	D200 Q207	D200-P202 WeakPolarHBondContact O-CD 3.34Å; P202-Q207 WeakPolarHBondContact CA-O 3.14Å
203	D	94.6	Very high	95.2	Very high	8 Å²	8	34 Å²	34	4%	0.043	20%	0.198	C	C	.	.			trans	-69.7	-178.5	165.2	80.7	-7.9	0	0	0	111.5	G173 Y174 H178 N205 G206 Q207	G173-D203 WeakPolarHBondContact O-CB 3.37Å; Y174-D203 HydrophobicContact CD1-CB 4.15Å; Y174-D203 VanDerWaalsContact CE1-OD2 3.27Å; Y174-D203 WeakPolarHBondContact CE1-OD2 3.46Å; H178-D203 PolarHBondContact CE1-N 3.1Å; H178-D203 PolarHBondContact NE2-N 3.18Å; D203-N205 PolarHBondContact O-N 3.2Å; D203-N205 VanDerWaalsContact OD1-C 3.31Å; D203-N205 VanDerWaalsContact OD1-CA 3.29Å; D203-N205 WeakPolarHBondContact OD1-CA 3.26Å; D203-N205 WeakPolarHBondContact OD1-CB 3.49Å; D203-N205 PolarHBondContact OD1-N 3.33Å; D203-N205 PolarHBondContact OD2-ND2 3.5Å; D203-G206 PolarHBondContact O-N 3.25Å; D203-G206 PolarHBondContact OD1-N 3.02Å; D203-Q207 PolarHBondContact N-O 3.47Å; D203-Q207 PolarHBondContact OD1-N 3.48Å
204	C	91.8	Very high	95.3	Very high	77 Å²	77	33.3 Å²	33.3	52%	0.52	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.3	180	84.5	0	0	0	0	113.7	G173 G206	G173-C204 WeakPolarHBondContact CA-SG 3.38Å; G173-C204 PolarHBondContact O-N 3.46Å; G173-C204 VanDerWaalsContact O-N 3.16Å; C204-G206 VanDerWaalsContact C-N 3.26Å
205	N	87.9	Confident	95.5	Very high	66 Å²	66	36.2 Å²	36.2	35%	0.353	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.7	176.2	-54.7	-59.3	0	0	0	112	D203 Q207	D203-N205 PolarHBondContact O-N 3.2Å; D203-N205 VanDerWaalsContact OD1-C 3.31Å; D203-N205 VanDerWaalsContact OD1-CA 3.29Å; D203-N205 WeakPolarHBondContact OD1-CA 3.26Å; D203-N205 WeakPolarHBondContact OD1-CB 3.49Å; D203-N205 PolarHBondContact OD1-N 3.33Å; D203-N205 PolarHBondContact OD2-ND2 3.5Å; N205-Q207 HydrophobicContact CB-CG 4.21Å
206	G	93.3	Very high	95.6	Very high	10 Å²	10	36.4 Å²	36.4	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	82.9	10.2	-177	0	0	0	0	0	114	D203 C204 D237	D203-G206 PolarHBondContact O-N 3.25Å; D203-G206 PolarHBondContact OD1-N 3.02Å; C204-G206 VanDerWaalsContact C-N 3.26Å; G206-D237 WeakPolarHBondContact O-CA 3.37Å
207	Q	95.9	Very high	95.7	Very high	24 Å²	24	34.4 Å²	34.4	11%	0.112	18%	0.183	C	C	.	.			trans	-89.5	131.9	-178.6	-55	-163.3	-81.2	0	0	110.6	H178 P202 D203 N205 M211 L212 D237	H178-Q207 PolarHBondContact NE2-O 3.46Å; P202-Q207 WeakPolarHBondContact CA-O 3.14Å; D203-Q207 PolarHBondContact N-O 3.47Å; D203-Q207 PolarHBondContact OD1-N 3.48Å; N205-Q207 HydrophobicContact CB-CG 4.21Å; Q207-M211 HydrophobicContact CB-CB 4.26Å; Q207-M211 HydrophobicContact CB-SD 4.43Å; Q207-L212 HydrophobicContact CB-CD2 4.02Å; Q207-L212 HydrophobicContact CB-CG 4.13Å; Q207-L212 HydrophobicContact CG-CD2 4.49Å; Q207-D237 HydrophobicContact CG-CB 4.31Å
208	T	97.9	Very high	95.5	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.037	21%	0.211	C	C	.	.			trans	-76.3	161.7	170.7	71.1	0	0	0	0	110.7	D200 L210 M211 L212 A235	D200-T208 WeakPolarHBondContact O-CG2 3.4Å; T208-L210 PolarHBondContact O-N 2.81Å; T208-L210 VanDerWaalsContact O-N 3.17Å; T208-M211 HydrophobicContact CG2-CE 4.17Å; T208-M211 HydrophobicContact CG2-SD 4.36Å; T208-M211 WeakPolarHBondContact O-CB 3.46Å; T208-M211 PolarHBondContact O-N 2.78Å; T208-M211 PolarHBondContact OG1-N 2.86Å; T208-L212 PolarHBondContact O-N 3.37Å; T208-A235 HydrophobicContact CG2-CB 3.87Å
209	P	98.1	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-52.7	-35.6	172.4	-27.6	34.8	0	0	0	113.6	L177 I181 V199 L212 A213 L226	L177-P209 HydrophobicContact CD2-CG 4.05Å; L177-P209 HydrophobicContact CG-CG 4.13Å; I181-P209 HydrophobicContact CG1-CB 4.09Å; V199-P209 VanDerWaalsContact O-CD 3.23Å; V199-P209 WeakPolarHBondContact O-CD 3.3Å; V199-P209 VanDerWaalsContact O-CG 3.32Å; V199-P209 WeakPolarHBondContact O-CG 3.42Å; P209-L212 PolarHBondContact O-N 3.34Å; P209-A213 WeakPolarHBondContact O-CB 3.36Å; P209-A213 PolarHBondContact O-N 3.36Å; P209-L226 HydrophobicContact CB-CD1 4.21Å; P209-L226 HydrophobicContact CB-CD2 4.18Å
210	L	98.4	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-37.7	177.4	-177.4	63.4	0	0	0	112.5	T208 A214 T223 L226 I227 A231 V233 P244 L260	T208-L210 PolarHBondContact O-N 2.81Å; T208-L210 VanDerWaalsContact O-N 3.17Å; L210-A214 VanDerWaalsContact O-CB 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 3.39Å; L210-T223 HydrophobicContact CD1-CG2 3.85Å; L210-L226 HydrophobicContact CB-CD1 4.2Å; L210-L226 HydrophobicContact CD1-CB 3.96Å; L210-L226 HydrophobicContact CD1-CD1 4.25Å; L210-I227 HydrophobicContact CD1-CD1 4.13Å; L210-I227 HydrophobicContact CD1-CG1 4.32Å; L210-I227 HydrophobicContact CD2-CD1 3.73Å; L210-A231 HydrophobicContact CB-CB 4.1Å; L210-A231 HydrophobicContact CD2-CB 3.89Å; L210-A231 HydrophobicContact CG-CB 4.44Å; L210-V233 HydrophobicContact CD2-CG1 4.5Å; L210-P244 HydrophobicContact CB-CG 4.48Å; L210-P244 HydrophobicContact CD2-CB 4.07Å; L210-P244 HydrophobicContact CD2-CG 3.78Å; L210-P244 HydrophobicContact CG-CB 3.95Å; L210-P244 HydrophobicContact CG-CG 3.96Å; L210-L260 HydrophobicContact CD1-CD2 4.23Å; L210-L260 HydrophobicContact CD2-CD2 3.98Å; L210-L260 HydrophobicContact CG-CD2 4.28Å
211	M	98.1	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-43.7	173.9	-66.5	169.9	-173.2	0	0	111.5	Q207 T208 A214 Q215 A235 V236 D237 P244	Q207-M211 HydrophobicContact CB-CB 4.26Å; Q207-M211 HydrophobicContact CB-SD 4.43Å; T208-M211 HydrophobicContact CG2-CE 4.17Å; T208-M211 HydrophobicContact CG2-SD 4.36Å; T208-M211 WeakPolarHBondContact O-CB 3.46Å; T208-M211 PolarHBondContact O-N 2.78Å; T208-M211 PolarHBondContact OG1-N 2.86Å; M211-A214 PolarHBondContact O-N 3.03Å; M211-Q215 VanDerWaalsContact O-CB 3.28Å; M211-Q215 WeakPolarHBondContact O-CB 3.35Å; M211-Q215 PolarHBondContact O-N 3.43Å; M211-A235 HydrophobicContact CE-CB 3.65Å; M211-A235 WeakPolarHBondContact CE-O 3.39Å; M211-V236 VanDerWaalsContact CE-CA 3.42Å; M211-V236 VanDerWaalsContact CE-N 3.31Å; M211-D237 HydrophobicContact SD-CB 3.84Å; M211-P244 HydrophobicContact CE-CG 4.4Å; M211-P244 HydrophobicContact CG-CB 4.42Å; M211-P244 HydrophobicContact CG-CG 3.86Å
212	L	96.8	Very high	94.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-44.3	176.5	-69.9	-178.1	0	0	0	111.5	Y174 H178 Q207 T208 P209 Q215 K216	Y174-L212 HydrophobicContact CD1-CD1 3.81Å; Y174-L212 HydrophobicContact CE1-CD1 3.54Å; Y174-L212 HydrophobicContact CE1-CD2 3.99Å; Y174-L212 HydrophobicContact CE1-CG 4.45Å; H178-L212 HydrophobicContact CB-CD1 3.89Å; Q207-L212 HydrophobicContact CB-CD2 4.02Å; Q207-L212 HydrophobicContact CB-CG 4.13Å; Q207-L212 HydrophobicContact CG-CD2 4.49Å; T208-L212 PolarHBondContact O-N 3.37Å; P209-L212 PolarHBondContact O-N 3.34Å; L212-Q215 PolarHBondContact O-N 3.47Å; L212-K216 HydrophobicContact CD2-CD 4.48Å; L212-K216 WeakPolarHBondContact O-CB 3.49Å; L212-K216 PolarHBondContact O-N 3.1Å
213	A	97.8	Very high	94.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-51.2	175.8	0	0	0	0	0	111.3	I181 P209 Q215 I217 P222 L226	I181-A213 HydrophobicContact CG2-CB 3.94Å; P209-A213 WeakPolarHBondContact O-CB 3.36Å; P209-A213 PolarHBondContact O-N 3.36Å; A213-Q215 VanDerWaalsContact C-N 3.28Å; A213-Q215 PolarHBondContact O-N 3.11Å; A213-I217 PolarHBondContact O-N 2.83Å; A213-I217 VanDerWaalsContact O-N 3.12Å; A213-P222 HydrophobicContact CB-CB 4.23Å; A213-P222 HydrophobicContact CB-CG 3.87Å; A213-L226 HydrophobicContact CB-CD1 3.94Å
214	A	97.8	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-38.2	178.6	0	0	0	0	0	112.9	L210 M211 P244 C247 A248 N253 A256 L260	L210-A214 VanDerWaalsContact O-CB 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 3.39Å; M211-A214 PolarHBondContact O-N 3.03Å; A214-P244 WeakPolarHBondContact CB-O 3.36Å; A214-C247 HydrophobicContact CB-CB 4.21Å; A214-A248 HydrophobicContact CB-CB 4.03Å; A214-N253 WeakPolarHBondContact O-CB 3.44Å; A214-N253 PolarHBondContact O-ND2 3.41Å; A214-A256 HydrophobicContact CB-CB 4.35Å; A214-L260 HydrophobicContact CB-CD1 4.32Å
215	Q	96	Very high	94.4	Very high	81 Å²	81	31 Å²	31	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-83.7	-39.4	-175.9	-171	175.9	5.9	0	0	114	M211 L212 A213 C247 A251	M211-Q215 VanDerWaalsContact O-CB 3.28Å; M211-Q215 WeakPolarHBondContact O-CB 3.35Å; M211-Q215 PolarHBondContact O-N 3.43Å; L212-Q215 PolarHBondContact O-N 3.47Å; A213-Q215 VanDerWaalsContact C-N 3.28Å; A213-Q215 PolarHBondContact O-N 3.11Å; Q215-C247 HydrophobicContact CB-CB 4.17Å; Q215-A251 WeakPolarHBondContact O-CB 3.43Å
216	K	95.6	Very high	94.8	Very high	101 Å²	101	27.9 Å²	27.9	44%	0.439	15%	0.145	S	C	.	.	H	α-helix	trans	-108.3	-16.5	-165.5	-63.1	-167.8	172.4	-164.3	0	114.5	Y174 L182 L212	Y174-K216 PolarHBondContact OH-NZ 3.24Å; L182-K216 HydrophobicContact CD1-CB 3.95Å; L182-K216 HydrophobicContact CD1-CD 3.71Å; L182-K216 HydrophobicContact CD1-CG 4.47Å; L212-K216 HydrophobicContact CD2-CD 4.48Å; L212-K216 WeakPolarHBondContact O-CB 3.49Å; L212-K216 PolarHBondContact O-N 3.1Å
217	I	95.3	Very high	95	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.046	15%	0.149	C	C	.	.			trans	-121.7	111.7	-173.1	-56.5	165.7	0	0	0	110.5	I181 Q184 A213 G219 P222 N253	I181-I217 WeakPolarHBondContact O-CD1 3.47Å; Q184-I217 HydrophobicContact CG-CD1 3.99Å; Q184-I217 HydrophobicContact CG-CG2 4.21Å; A213-I217 PolarHBondContact O-N 2.83Å; A213-I217 VanDerWaalsContact O-N 3.12Å; I217-G219 PolarHBondContact O-N 2.91Å; I217-P222 HydrophobicContact CD1-CG 3.41Å; I217-P222 VanDerWaalsContact CD1-CG 3.41Å; I217-N253 PolarHBondContact O-ND2 2.93Å
218	I	89.9	Confident	94.7	Very high	149 Å²	149	30.8 Å²	30.8	76%	0.764	16%	0.156	S	C	*	.			trans	-75.6	121.6	176.1	-56.4	175.9	0	0	0	109
219	G	88.1	Confident	94.3	Very high	9 Å²	9	31.7 Å²	31.7	9%	0.093	16%	0.161	C	C	.	.	S	Bend	trans	133.5	175.8	177.3	0	0	0	0	0	113.6	I217 D255	I217-G219 PolarHBondContact O-N 2.91Å; G219-D255 WeakPolarHBondContact CA-OD2 3.41Å
220	P	87.4	Confident	94.1	Very high	71 Å²	71	37.3 Å²	37.3	46%	0.461	19%	0.19	S	C	.	.	S	Bend	trans	-76.1	-32.7	-176.2	28.1	-34.6	0	0	0	113.9	T223 N224 I259	P220-T223 WeakPolarHBondContact O-CB 3.23Å; P220-T223 PolarHBondContact O-N 2.69Å; P220-N224 WeakPolarHBondContact O-CB 3.18Å; P220-N224 PolarHBondContact O-N 3.01Å; P220-I259 VanDerWaalsContact CA-CD1 3.48Å; P220-I259 HydrophobicContact CB-CD1 3.69Å; P220-I259 VanDerWaalsContact O-CD1 3.26Å; P220-I259 WeakPolarHBondContact O-CD1 3.5Å
221	E	91.5	Very high	94	Very high	70 Å²	70	37.7 Å²	37.7	33%	0.327	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	139.9	173.5	-60.9	-61.1	171.2	0	0	108.9	N224 F225	E221-N224 PolarHBondContact OE1-ND2 3.25Å; E221-F225 VanDerWaalsContact OE2-CB 3.32Å; E221-F225 WeakPolarHBondContact OE2-CB 3.33Å; E221-F225 PolarHBondContact OE2-N 2.96Å
222	P	95.1	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-5.1	9.9	0.9	11.6	0	0	0	116.5	I181 Q184 M186 A213 I217 N224 F225 L226	I181-P222 HydrophobicContact CD1-CB 4.07Å; I181-P222 HydrophobicContact CG2-CB 3.95Å; I181-P222 HydrophobicContact CG2-CG 3.7Å; Q184-P222 HydrophobicContact CG-CG 4.39Å; M186-P222 HydrophobicContact CE-CB 3.37Å; M186-P222 HydrophobicContact CE-CG 3.68Å; M186-P222 HydrophobicContact SD-CB 3.9Å; A213-P222 HydrophobicContact CB-CB 4.23Å; A213-P222 HydrophobicContact CB-CG 3.87Å; I217-P222 HydrophobicContact CD1-CG 3.41Å; I217-P222 VanDerWaalsContact CD1-CG 3.41Å; P222-N224 VanDerWaalsContact C-N 3.32Å; P222-N224 PolarHBondContact O-N 3.29Å; P222-F225 WeakPolarHBondContact O-CB 3.4Å; P222-F225 PolarHBondContact O-N 3.36Å; P222-F225 VanDerWaalsContact O-N 3.14Å; P222-L226 HydrophobicContact CB-CD1 4.36Å; P222-L226 PolarHBondContact O-N 2.67Å
223	T	96.8	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.2	-48.4	-170	-52.9	0	0	0	0	111.5	L210 P220 L226 I227 A256 I259 L260	L210-T223 HydrophobicContact CD1-CG2 3.85Å; P220-T223 WeakPolarHBondContact O-CB 3.23Å; P220-T223 PolarHBondContact O-N 2.69Å; T223-L226 PolarHBondContact O-N 3.06Å; T223-I227 WeakPolarHBondContact O-CG1 3.47Å; T223-I227 PolarHBondContact O-N 2.94Å; T223-A256 HydrophobicContact CG2-CB 4.04Å; T223-I259 HydrophobicContact CG2-CB 4.2Å; T223-I259 HydrophobicContact CG2-CG2 3.93Å; T223-L260 HydrophobicContact CG2-CD2 4.48Å; T223-L260 HydrophobicContact CG2-CG 4.24Å
224	N	92.9	Very high	94	Very high	46 Å²	46	44.8 Å²	44.8	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-44.9	177.6	-177.9	47.2	0	0	0	112.5	P220 E221 P222 L226 I227 K228 I259	P220-N224 WeakPolarHBondContact O-CB 3.18Å; P220-N224 PolarHBondContact O-N 3.01Å; E221-N224 PolarHBondContact OE1-ND2 3.25Å; P222-N224 VanDerWaalsContact C-N 3.32Å; P222-N224 PolarHBondContact O-N 3.29Å; N224-L226 VanDerWaalsContact C-N 3.32Å; N224-L226 PolarHBondContact O-N 3.02Å; N224-I227 PolarHBondContact O-N 3.45Å; N224-K228 WeakPolarHBondContact O-CB 3.29Å; N224-K228 WeakPolarHBondContact O-CG 3.34Å; N224-K228 PolarHBondContact O-N 3.24Å; N224-K228 WeakPolarHBondContact OD1-CE 3.32Å; N224-I259 HydrophobicContact CB-CD1 4.05Å; N224-I259 HydrophobicContact CB-CG2 4.5Å
225	F	92.9	Very high	94	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.039	25%	0.25	C	C	.	.	H	α-helix	trans	-54.6	-45	173.1	172.9	-97.6	0	0	0	112.8	I181 M186 A189 A190 M193 E221 P222 K228 N229 M456	I181-F225 HydrophobicContact CD1-CD1 4.16Å; I181-F225 HydrophobicContact CD1-CE1 4.24Å; M186-F225 HydrophobicContact CB-CD2 4.33Å; M186-F225 HydrophobicContact CB-CE2 4.31Å; M186-F225 HydrophobicContact CB-CZ 4.5Å; M186-F225 HydrophobicContact CG-CG 4.4Å; M186-F225 HydrophobicContact SD-CB 4.28Å; M186-F225 HydrophobicContact SD-CD1 3.83Å; M186-F225 HydrophobicContact SD-CE1 4.34Å; M186-F225 HydrophobicContact SD-CG 4.03Å; A189-F225 HydrophobicContact CB-CE1 3.77Å; A189-F225 HydrophobicContact CB-CZ 4.18Å; A190-F225 HydrophobicContact CB-CE2 4.36Å; A190-F225 HydrophobicContact CB-CZ 4.05Å; M193-F225 HydrophobicContact CE-CE1 3.34Å; M193-F225 HydrophobicContact CE-CE2 4.41Å; M193-F225 HydrophobicContact CE-CZ 3.29Å; E221-F225 VanDerWaalsContact OE2-CB 3.32Å; E221-F225 WeakPolarHBondContact OE2-CB 3.33Å; E221-F225 PolarHBondContact OE2-N 2.96Å; P222-F225 WeakPolarHBondContact O-CB 3.4Å; P222-F225 PolarHBondContact O-N 3.36Å; P222-F225 VanDerWaalsContact O-N 3.14Å; F225-K228 PolarHBondContact O-N 3.09Å; F225-N229 PolarHBondContact O-N 3.07Å; F225-N229 PolarHBondContact O-ND2 3.47Å; F225-M456 HydrophobicContact CE2-SD 4.17Å
226	L	96.3	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.2	-43.2	-179.9	-73.1	169	0	0	0	112.4	I181 V199 P209 L210 A213 P222 T223 N224 K228 N229 N230 A231	I181-L226 HydrophobicContact CD1-CD1 4.13Å; I181-L226 HydrophobicContact CD1-CD2 3.78Å; I181-L226 HydrophobicContact CD1-CG 3.99Å; I181-L226 HydrophobicContact CG1-CD1 4.31Å; I181-L226 HydrophobicContact CG1-CD2 4.16Å; I181-L226 HydrophobicContact CG2-CD1 3.98Å; V199-L226 HydrophobicContact CG2-CD2 3.81Å; P209-L226 HydrophobicContact CB-CD1 4.21Å; P209-L226 HydrophobicContact CB-CD2 4.18Å; L210-L226 HydrophobicContact CB-CD1 4.2Å; L210-L226 HydrophobicContact CD1-CB 3.96Å; L210-L226 HydrophobicContact CD1-CD1 4.25Å; A213-L226 HydrophobicContact CB-CD1 3.94Å; P222-L226 HydrophobicContact CB-CD1 4.36Å; P222-L226 PolarHBondContact O-N 2.67Å; T223-L226 PolarHBondContact O-N 3.06Å; N224-L226 VanDerWaalsContact C-N 3.32Å; N224-L226 PolarHBondContact O-N 3.02Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.02Å; L226-N229 CarbonylContact O-C 3.49Å; L226-N229 VanDerWaalsContact O-C 3.31Å; L226-N229 WeakPolarHBondContact O-CA 3.42Å; L226-N229 PolarHBondContact O-N 2.74Å; L226-N230 PolarHBondContact O-N 3.28Å; L226-A231 HydrophobicContact CB-CB 3.94Å; L226-A231 VanDerWaalsContact O-CB 3.25Å; L226-A231 WeakPolarHBondContact O-CB 3.31Å; L226-A231 PolarHBondContact O-N 3.27Å
227	I	95.5	Very high	93.9	Very high	35 Å²	35	40.4 Å²	40.4	18%	0.179	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-42.2	174.5	-67.2	-58	0	0	0	111.3	L210 T223 N224 N229 N230 V233 I259 L260 A263	L210-I227 HydrophobicContact CD1-CD1 4.13Å; L210-I227 HydrophobicContact CD1-CG1 4.32Å; L210-I227 HydrophobicContact CD2-CD1 3.73Å; T223-I227 WeakPolarHBondContact O-CG1 3.47Å; T223-I227 PolarHBondContact O-N 2.94Å; N224-I227 PolarHBondContact O-N 3.45Å; I227-N229 PolarHBondContact O-N 3.2Å; I227-N230 PolarHBondContact O-N 3.37Å; I227-V233 HydrophobicContact CD1-CG1 3.38Å; I227-I259 HydrophobicContact CG1-CG2 4.04Å; I227-L260 HydrophobicContact CD1-CD2 4.14Å; I227-A263 HydrophobicContact CD1-CB 4.03Å; I227-A263 HydrophobicContact CG1-CB 4.31Å; I227-A263 HydrophobicContact CG2-CB 3.75Å
228	K	89.8	Confident	93.7	Very high	59 Å²	59	48.2 Å²	48.2	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-21.5	176.1	-73.2	-175.3	174.5	-155.3	0	113.6	N224 F225 L226 N230 D470	N224-K228 WeakPolarHBondContact O-CB 3.29Å; N224-K228 WeakPolarHBondContact O-CG 3.34Å; N224-K228 PolarHBondContact O-N 3.24Å; N224-K228 WeakPolarHBondContact OD1-CE 3.32Å; F225-K228 PolarHBondContact O-N 3.09Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.02Å; K228-N230 VanDerWaalsContact C-N 3.34Å; K228-D470 WeakPolarHBondContact CE-OD2 3.4Å; K228-D470 VanDerWaalsContact NZ-CG 3.26Å; K228-D470 IonicContact NZ-OD1 3.12Å; K228-D470 PolarHBondContact NZ-OD1 3.34Å; K228-D470 IonicContact NZ-OD2 3.96Å; K228-D470 PolarHBondContact NZ-OD2 3.38Å
229	N	90.9	Very high	93.7	Very high	26 Å²	26	45.4 Å²	45.4	14%	0.139	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	27.2	172.8	-70.4	-84.8	0	0	0	112.1	M193 F225 L226 I227 A231	M193-N229 HydrophobicContact CE-CB 4.03Å; M193-N229 HydrophobicContact SD-CB 3.97Å; F225-N229 PolarHBondContact O-N 3.07Å; F225-N229 PolarHBondContact O-ND2 3.47Å; L226-N229 CarbonylContact O-C 3.49Å; L226-N229 VanDerWaalsContact O-C 3.31Å; L226-N229 WeakPolarHBondContact O-CA 3.42Å; L226-N229 PolarHBondContact O-N 2.74Å; I227-N229 PolarHBondContact O-N 3.2Å; N229-A231 VanDerWaalsContact C-N 3.32Å; N229-A231 PolarHBondContact O-N 3.35Å
230	N	92.4	Very high	94	Very high	117 Å²	117	48 Å²	48	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	29.9	172.8	-55	-54.3	0	0	0	115.1	L226 I227 K228	L226-N230 PolarHBondContact O-N 3.28Å; I227-N230 PolarHBondContact O-N 3.37Å; K228-N230 VanDerWaalsContact C-N 3.34Å
231	A	97.1	Very high	94.4	Very high	8 Å²	8	51.4 Å²	51.4	7%	0.066	27%	0.27	C	S	.	.			trans	-60.6	139.1	171	0	0	0	0	0	111.5	V199 L210 L226 N229 V233	V199-A231 HydrophobicContact CG1-CB 4.48Å; V199-A231 HydrophobicContact CG2-CB 3.81Å; L210-A231 HydrophobicContact CB-CB 4.1Å; L210-A231 HydrophobicContact CD2-CB 3.89Å; L210-A231 HydrophobicContact CG-CB 4.44Å; L226-A231 HydrophobicContact CB-CB 3.94Å; L226-A231 VanDerWaalsContact O-CB 3.25Å; L226-A231 WeakPolarHBondContact O-CB 3.31Å; L226-A231 PolarHBondContact O-N 3.27Å; N229-A231 VanDerWaalsContact C-N 3.32Å; N229-A231 PolarHBondContact O-N 3.35Å; A231-V233 PolarHBondContact O-N 3.08Å
232	S	97.8	Very high	94.7	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	26%	0.257	S	S	.	.			trans	-74.5	114.5	-176.2	179.1	0	0	0	0	112.4	D200 S234 A235	D200-S232 PolarHBondContact OD1-N 3.41Å; D200-S232 WeakPolarHBondContact OD2-CB 3.25Å; D200-S232 PolarHBondContact OD2-N 3.01Å; S232-S234 PolarHBondContact O-N 3.2Å; S232-S234 PolarHBondContact OG-N 2.91Å; S232-S234 PolarHBondContact OG-OG 2.88Å; S232-A235 PolarHBondContact O-N 3.35Å; S232-A235 PolarHBondContact OG-N 3.16Å
233	V	97.9	Very high	94.9	Very high	28 Å²	28	49.1 Å²	49.1	17%	0.17	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.9	174.1	-62.9	0	0	0	0	113.8	L210 I227 A231 L260 A263 A265	L210-V233 HydrophobicContact CD2-CG1 4.5Å; I227-V233 HydrophobicContact CD1-CG1 3.38Å; A231-V233 PolarHBondContact O-N 3.08Å; V233-L260 HydrophobicContact CG1-CD2 4.09Å; V233-A263 HydrophobicContact CG1-CB 3.83Å; V233-A265 HydrophobicContact CB-CB 4.12Å
234	S	97.4	Very high	95	Very high	86 Å²	86	49.1 Å²	49.1	60%	0.601	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	1.7	-178	60.9	0	0	0	0	113.6	S232	S232-S234 PolarHBondContact O-N 3.2Å; S232-S234 PolarHBondContact OG-N 2.91Å; S232-S234 PolarHBondContact OG-OG 2.88Å
235	A	96.6	Very high	95.2	Very high	20 Å²	20	47 Å²	47	17%	0.165	25%	0.249	C	C	.	.			trans	-55	151.4	169.7	0	0	0	0	0	109.7	T208 M211 S232 T243 P244	T208-A235 HydrophobicContact CG2-CB 3.87Å; M211-A235 HydrophobicContact CE-CB 3.65Å; M211-A235 WeakPolarHBondContact CE-O 3.39Å; S232-A235 PolarHBondContact O-N 3.35Å; S232-A235 PolarHBondContact OG-N 3.16Å; A235-T243 VanDerWaalsContact O-CA 3.29Å; A235-T243 WeakPolarHBondContact O-CA 3.45Å; A235-P244 VanDerWaalsContact O-CD 3.29Å; A235-P244 WeakPolarHBondContact O-CD 3.36Å
236	V	96.3	Very high	95.5	Very high	64 Å²	64	46.5 Å²	46.5	39%	0.388	25%	0.247	S	C	.	.			trans	-128.4	139.4	178.8	-67.9	0	0	0	0	110.4	M211 R241 N242 T243	M211-V236 VanDerWaalsContact CE-CA 3.42Å; M211-V236 VanDerWaalsContact CE-N 3.31Å; V236-R241 HydrophobicContact CB-CB 4.27Å; V236-N242 WeakPolarHBondContact CA-O 3.15Å; V236-T243 HydrophobicContact CG1-CG2 3.83Å
237	D	94.3	Very high	95.5	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.032	25%	0.248	C	C	.	.			trans	-69.8	157.4	176.4	84.8	91.3	0	0	0	111.6	G206 Q207 M211 V239 N240 R241 N242	G206-D237 WeakPolarHBondContact O-CA 3.37Å; Q207-D237 HydrophobicContact CG-CB 4.31Å; M211-D237 HydrophobicContact SD-CB 3.84Å; D237-V239 PolarHBondContact O-N 2.89Å; D237-V239 WeakPolarHBondContact OD1-CA 3.23Å; D237-V239 WeakPolarHBondContact OD1-CB 3.32Å; D237-V239 PolarHBondContact OD1-N 3.26Å; D237-N240 PolarHBondContact OD1-N 2.98Å; D237-R241 WeakPolarHBondContact O-CA 3.45Å; D237-R241 PolarHBondContact O-N 2.98Å; D237-R241 VanDerWaalsContact O-N 3.12Å; D237-R241 PolarHBondContact OD2-N 2.9Å; D237-N242 PolarHBondContact N-O 3.07Å; D237-N242 WeakPolarHBondContact OD2-CA 3.43Å; D237-N242 WeakPolarHBondContact OD2-CB 3.43Å; D237-N242 PolarHBondContact OD2-N 3.21Å
238	K	91.6	Very high	95.6	Very high	173 Å²	173	45 Å²	45	75%	0.752	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-31.2	-176	-175.2	179.6	177.3	-174.9	0	113.3
239	V	90.4	Very high	96	Very high	91 Å²	91	42.2 Å²	42.2	55%	0.552	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-53.4	-170	-177.8	0	0	0	0	110.9	D237	D237-V239 PolarHBondContact O-N 2.89Å; D237-V239 WeakPolarHBondContact OD1-CA 3.23Å; D237-V239 WeakPolarHBondContact OD1-CB 3.32Å; D237-V239 PolarHBondContact OD1-N 3.26Å
240	N	93.9	Very high	96.3	Very high	64 Å²	64	44.5 Å²	44.5	34%	0.342	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-5.9	-171.7	-64.7	-62.3	0	0	0	113.3	D237 N242 N271 I272	D237-N240 PolarHBondContact OD1-N 2.98Å; N240-N242 VanDerWaalsContact CB-ND2 3.29Å; N240-N242 WeakPolarHBondContact CB-ND2 3.42Å; N240-N242 PolarHBondContact O-N 3.31Å; N240-N271 WeakPolarHBondContact O-CB 3.42Å; N240-I272 WeakPolarHBondContact O-CB 3.32Å; N240-I272 VanDerWaalsContact O-CG2 3.3Å; N240-I272 WeakPolarHBondContact O-CG2 3.45Å; N240-I272 PolarHBondContact O-N 2.99Å
241	R	96.1	Very high	96.4	Very high	142 Å²	142	41.1 Å²	41.1	54%	0.536	23%	0.227	S	C	.	.			trans	54.8	30.1	-169.1	-55.7	-172.3	63.5	-165.2	-4.8	113.4	V236 D237 I272	V236-R241 HydrophobicContact CB-CB 4.27Å; D237-R241 WeakPolarHBondContact O-CA 3.45Å; D237-R241 PolarHBondContact O-N 2.98Å; D237-R241 VanDerWaalsContact O-N 3.12Å; D237-R241 PolarHBondContact OD2-N 2.9Å; R241-I272 HydrophobicContact CB-CB 4.41Å; R241-I272 HydrophobicContact CG-CB 4.34Å
242	N	97.6	Very high	96.3	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	24%	0.243	C	C	.	.			trans	-71.5	134.3	172.3	-69.9	-38.6	0	0	0	109.6	V236 D237 N240 H246 N271	V236-N242 WeakPolarHBondContact CA-O 3.15Å; D237-N242 PolarHBondContact N-O 3.07Å; D237-N242 WeakPolarHBondContact OD2-CA 3.43Å; D237-N242 WeakPolarHBondContact OD2-CB 3.43Å; D237-N242 PolarHBondContact OD2-N 3.21Å; N240-N242 VanDerWaalsContact CB-ND2 3.29Å; N240-N242 WeakPolarHBondContact CB-ND2 3.42Å; N240-N242 PolarHBondContact O-N 3.31Å; N242-H246 HydrophobicContact CB-CB 3.65Å; N242-N271 VanDerWaalsContact OD1-CB 3.3Å; N242-N271 WeakPolarHBondContact OD1-CB 3.14Å; N242-N271 PolarHBondContact OD1-ND2 3.28Å
243	T	98.2	Very high	96.1	Very high	10 Å²	10	41 Å²	41	6%	0.061	23%	0.232	C	C	.	.			trans	-78.3	166.3	166.9	68.9	0	0	0	0	110.9	A235 V236 L245 H246 C247 A269	A235-T243 VanDerWaalsContact O-CA 3.29Å; A235-T243 WeakPolarHBondContact O-CA 3.45Å; V236-T243 HydrophobicContact CG1-CG2 3.83Å; T243-L245 PolarHBondContact O-N 3.27Å; T243-L245 VanDerWaalsContact O-N 3.08Å; T243-L245 PolarHBondContact OG1-N 3.29Å; T243-H246 PolarHBondContact N-ND1 2.91Å; T243-H246 VanDerWaalsContact N-ND1 3.18Å; T243-H246 WeakPolarHBondContact O-CB 3.4Å; T243-H246 PolarHBondContact O-N 3.43Å; T243-H246 PolarHBondContact OG1-N 3.34Å; T243-H246 PolarHBondContact OG1-ND1 2.91Å; T243-C247 PolarHBondContact O-N 3.3Å; T243-A269 HydrophobicContact CG2-CB 4.17Å
244	P	98.4	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-50.6	-34.2	171.8	-29.1	34.3	0	0	0	114	L210 M211 A214 A235 C247 A248 L260	L210-P244 HydrophobicContact CB-CG 4.48Å; L210-P244 HydrophobicContact CD2-CB 4.07Å; L210-P244 HydrophobicContact CD2-CG 3.78Å; L210-P244 HydrophobicContact CG-CB 3.95Å; L210-P244 HydrophobicContact CG-CG 3.96Å; M211-P244 HydrophobicContact CE-CG 4.4Å; M211-P244 HydrophobicContact CG-CB 4.42Å; M211-P244 HydrophobicContact CG-CG 3.86Å; A214-P244 WeakPolarHBondContact CB-O 3.36Å; A235-P244 VanDerWaalsContact O-CD 3.29Å; A235-P244 WeakPolarHBondContact O-CD 3.36Å; P244-C247 WeakPolarHBondContact O-CB 3.35Å; P244-C247 PolarHBondContact O-N 3.23Å; P244-A248 PolarHBondContact O-N 2.93Å; P244-L260 HydrophobicContact CB-CD1 3.89Å; P244-L260 HydrophobicContact CB-CD2 3.79Å; P244-L260 WeakPolarHBondContact O-CD1 3.46Å
245	L	98.5	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-38.1	177.8	-177.1	61.4	0	0	0	112.2	T243 C247 A248 V249 A257 L260 L261 A265 V267 P277 L293	T243-L245 PolarHBondContact O-N 3.27Å; T243-L245 VanDerWaalsContact O-N 3.08Å; T243-L245 PolarHBondContact OG1-N 3.29Å; L245-C247 VanDerWaalsContact C-N 3.33Å; L245-A248 PolarHBondContact O-N 3.12Å; L245-V249 HydrophobicContact CD1-CG2 4.47Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.47Å; L245-A257 HydrophobicContact CD1-CB 4Å; L245-L260 HydrophobicContact CB-CD1 4.41Å; L245-L260 HydrophobicContact CD1-CB 4.3Å; L245-L261 HydrophobicContact CD1-CD2 4.28Å; L245-L261 HydrophobicContact CD1-CG 4.16Å; L245-L261 HydrophobicContact CD2-CD2 3.69Å; L245-L261 HydrophobicContact CD2-CG 4.44Å; L245-A265 HydrophobicContact CB-CB 4.08Å; L245-A265 HydrophobicContact CD2-CB 4.06Å; L245-V267 HydrophobicContact CD2-CG1 4.46Å; L245-P277 HydrophobicContact CB-CG 4.49Å; L245-P277 HydrophobicContact CD2-CB 4.06Å; L245-P277 HydrophobicContact CD2-CG 3.84Å; L245-P277 HydrophobicContact CG-CB 3.99Å; L245-P277 HydrophobicContact CG-CG 3.97Å; L245-L293 HydrophobicContact CD1-CD2 4.41Å; L245-L293 HydrophobicContact CD2-CD2 4.12Å
246	H	98.4	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-44.7	171.2	-67.5	94	0	0	0	110.6	N242 T243 V249 L250 A269 H275 P277 L280	N242-H246 HydrophobicContact CB-CB 3.65Å; T243-H246 PolarHBondContact N-ND1 2.91Å; T243-H246 VanDerWaalsContact N-ND1 3.18Å; T243-H246 WeakPolarHBondContact O-CB 3.4Å; T243-H246 PolarHBondContact O-N 3.43Å; T243-H246 PolarHBondContact OG1-N 3.34Å; T243-H246 PolarHBondContact OG1-ND1 2.91Å; H246-V249 PolarHBondContact O-N 2.94Å; H246-L250 WeakPolarHBondContact O-CB 3.44Å; H246-L250 WeakPolarHBondContact O-CG 3.33Å; H246-L250 PolarHBondContact O-N 2.96Å; H246-A269 PolarHBondContact CE1-O 3.47Å; H246-A269 PolarHBondContact NE2-O 3.42Å; H246-A269 VanDerWaalsContact NE2-O 3.17Å; H246-H275 PolarHBondContact NE2-O 3.17Å; H246-H275 VanDerWaalsContact NE2-O 3.1Å; H246-P277 WeakPolarHBondContact NE2-CD 3.44Å; H246-L280 HydrophobicContact CB-CD1 3.98Å
247	C	97.4	Very high	96.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.6	-66.7	0	0	0	0	112.3	A214 Q215 T243 P244 L245 V249 L250 A251	A214-C247 HydrophobicContact CB-CB 4.21Å; Q215-C247 HydrophobicContact CB-CB 4.17Å; T243-C247 PolarHBondContact O-N 3.3Å; P244-C247 WeakPolarHBondContact O-CB 3.35Å; P244-C247 PolarHBondContact O-N 3.23Å; L245-C247 VanDerWaalsContact C-N 3.33Å; C247-V249 VanDerWaalsContact C-N 3.34Å; C247-V249 PolarHBondContact O-N 3.47Å; C247-L250 PolarHBondContact O-N 3.02Å; C247-A251 WeakPolarHBondContact O-CB 3.49Å; C247-A251 PolarHBondContact O-N 3.3Å
248	A	97.7	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-43.6	177.2	0	0	0	0	0	111.9	A214 P244 L245 A251 G252 N253 A256 A257 L260	A214-A248 HydrophobicContact CB-CB 4.03Å; P244-A248 PolarHBondContact O-N 2.93Å; L245-A248 PolarHBondContact O-N 3.12Å; A248-A251 PolarHBondContact O-N 3.09Å; A248-G252 PolarHBondContact O-N 3.41Å; A248-G252 VanDerWaalsContact O-N 3.11Å; A248-N253 HydrophobicContact CB-CB 4.48Å; A248-N253 PolarHBondContact O-N 2.87Å; A248-A256 HydrophobicContact CB-CB 4.11Å; A248-A257 HydrophobicContact CB-CB 3.99Å; A248-L260 HydrophobicContact CB-CD1 4Å
249	V	97.6	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-47	179.6	168.6	0	0	0	0	111.7	L245 H246 C247 A251 G252 P277 L280 A281 L289 L293	L245-V249 HydrophobicContact CD1-CG2 4.47Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.47Å; H246-V249 PolarHBondContact O-N 2.94Å; C247-V249 VanDerWaalsContact C-N 3.34Å; C247-V249 PolarHBondContact O-N 3.47Å; V249-A251 PolarHBondContact O-N 2.97Å; V249-G252 PolarHBondContact O-N 3.28Å; V249-P277 HydrophobicContact CG2-CB 4.21Å; V249-L280 HydrophobicContact CG1-CB 3.86Å; V249-A281 HydrophobicContact CG1-CB 3.75Å; V249-A281 VanDerWaalsContact CG1-N 3.32Å; V249-L289 HydrophobicContact CB-CD1 4.45Å; V249-L289 HydrophobicContact CG1-CD1 4.26Å; V249-L289 HydrophobicContact CG2-CD1 4.44Å; V249-L293 HydrophobicContact CG2-CD1 4.12Å
250	L	96.3	Very high	96.8	Very high	75 Å²	75	29.5 Å²	29.5	39%	0.393	16%	0.161	S	C	.	.	H	α-helix	trans	-60.3	-35.3	178	-74.4	170.4	0	0	0	112.2	H246 C247 G252 L280 V284	H246-L250 WeakPolarHBondContact O-CB 3.44Å; H246-L250 WeakPolarHBondContact O-CG 3.33Å; H246-L250 PolarHBondContact O-N 2.96Å; C247-L250 PolarHBondContact O-N 3.02Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-L280 HydrophobicContact CD1-CD1 3.95Å; L250-L280 HydrophobicContact CD2-CB 4.26Å; L250-L280 HydrophobicContact CD2-CD1 3.93Å; L250-L280 HydrophobicContact CD2-CD2 4.23Å; L250-L280 HydrophobicContact CD2-CG 4.38Å; L250-L280 HydrophobicContact CG-CD1 3.76Å; L250-V284 HydrophobicContact CD2-CG1 4.37Å
251	A	95.1	Very high	96.9	Very high	45 Å²	45	27 Å²	27	37%	0.372	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.5	176.7	0	0	0	0	0	114	Q215 C247 A248 V249 N253	Q215-A251 WeakPolarHBondContact O-CB 3.43Å; C247-A251 WeakPolarHBondContact O-CB 3.49Å; C247-A251 PolarHBondContact O-N 3.3Å; A248-A251 PolarHBondContact O-N 3.09Å; V249-A251 PolarHBondContact O-N 2.97Å; A251-N253 HydrophobicContact CB-CB 4.34Å; A251-N253 PolarHBondContact O-N 2.71Å
252	G	94.2	Very high	96.7	Very high	40 Å²	40	27.1 Å²	27.1	41%	0.412	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.2	-172.2	0	0	0	0	0	113.8	A248 V249 L250 V254	A248-G252 PolarHBondContact O-N 3.41Å; A248-G252 VanDerWaalsContact O-N 3.11Å; V249-G252 PolarHBondContact O-N 3.28Å; L250-G252 VanDerWaalsContact C-N 3.32Å; G252-V254 PolarHBondContact O-N 3.23Å
253	N	95.4	Very high	96.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	17%	0.167	C	C	.	.			trans	-82.1	85.7	-176.2	-168.9	-6	0	0	0	111.2	A214 I217 A248 A251 D255 A256 A257	A214-N253 WeakPolarHBondContact O-CB 3.44Å; A214-N253 PolarHBondContact O-ND2 3.41Å; I217-N253 PolarHBondContact O-ND2 2.93Å; A248-N253 HydrophobicContact CB-CB 4.48Å; A248-N253 PolarHBondContact O-N 2.87Å; A251-N253 HydrophobicContact CB-CB 4.34Å; A251-N253 PolarHBondContact O-N 2.71Å; N253-D255 PolarHBondContact O-N 3.36Å; N253-A256 HydrophobicContact CB-CB 4.19Å; N253-A256 VanDerWaalsContact CG-CB 3.45Å; N253-A256 VanDerWaalsContact ND2-CB 3.32Å; N253-A256 WeakPolarHBondContact ND2-CB 3.22Å; N253-A256 PolarHBondContact O-N 3.31Å; N253-A256 PolarHBondContact OD1-N 3.08Å; N253-A257 WeakPolarHBondContact O-CB 3.45Å; N253-A257 PolarHBondContact O-N 2.71Å
254	V	95.7	Very high	96.4	Very high	42 Å²	42	30.2 Å²	30.2	26%	0.255	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-40.8	-175.6	179.6	0	0	0	0	112.1	G252 A257 H258 L288 L289 M292	G252-V254 PolarHBondContact O-N 3.23Å; V254-A257 PolarHBondContact O-N 3.01Å; V254-H258 WeakPolarHBondContact O-CB 3.35Å; V254-H258 PolarHBondContact O-N 2.97Å; V254-L288 HydrophobicContact CG1-CD2 3.87Å; V254-L288 HydrophobicContact CG1-CG 4.23Å; V254-L288 HydrophobicContact CG2-CD2 4Å; V254-L288 HydrophobicContact CG2-CG 4.48Å; V254-L289 HydrophobicContact CB-CD2 4.43Å; V254-L289 HydrophobicContact CG2-CD2 3.97Å; V254-L289 HydrophobicContact CG2-CG 4.21Å; V254-M292 HydrophobicContact CG1-CE 4.48Å
255	D	96.3	Very high	96.4	Very high	77 Å²	77	30.3 Å²	30.3	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-47.9	-179.2	-65.2	-45.4	0	0	0	111.3	G219 N253 A257 H258 I259	G219-D255 WeakPolarHBondContact CA-OD2 3.41Å; N253-D255 PolarHBondContact O-N 3.36Å; D255-A257 VanDerWaalsContact C-N 3.35Å; D255-A257 PolarHBondContact O-N 2.96Å; D255-H258 PolarHBondContact O-N 3.08Å; D255-I259 WeakPolarHBondContact O-CD1 3.15Å; D255-I259 WeakPolarHBondContact O-CG1 3.49Å; D255-I259 PolarHBondContact O-N 3.15Å
256	A	97.2	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.8	0	0	0	0	0	111.6	A214 T223 A248 N253 H258 I259 L260	A214-A256 HydrophobicContact CB-CB 4.35Å; T223-A256 HydrophobicContact CG2-CB 4.04Å; A248-A256 HydrophobicContact CB-CB 4.11Å; N253-A256 HydrophobicContact CB-CB 4.19Å; N253-A256 VanDerWaalsContact CG-CB 3.45Å; N253-A256 VanDerWaalsContact ND2-CB 3.32Å; N253-A256 WeakPolarHBondContact ND2-CB 3.22Å; N253-A256 PolarHBondContact O-N 3.31Å; N253-A256 PolarHBondContact OD1-N 3.08Å; A256-H258 VanDerWaalsContact C-N 3.33Å; A256-H258 PolarHBondContact O-N 3.18Å; A256-I259 PolarHBondContact O-N 3.39Å; A256-L260 VanDerWaalsContact O-CB 3.31Å; A256-L260 WeakPolarHBondContact O-CB 3.18Å; A256-L260 WeakPolarHBondContact O-CD1 3.39Å; A256-L260 WeakPolarHBondContact O-CG 3.48Å; A256-L260 PolarHBondContact O-N 2.74Å
257	A	97.4	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-41.1	176.9	0	0	0	0	0	111.9	L245 A248 N253 V254 D255 L260 L261 L289 M292	L245-A257 HydrophobicContact CD1-CB 4Å; A248-A257 HydrophobicContact CB-CB 3.99Å; N253-A257 WeakPolarHBondContact O-CB 3.45Å; N253-A257 PolarHBondContact O-N 2.71Å; V254-A257 PolarHBondContact O-N 3.01Å; D255-A257 VanDerWaalsContact C-N 3.35Å; D255-A257 PolarHBondContact O-N 2.96Å; A257-L260 PolarHBondContact O-N 2.87Å; A257-L261 WeakPolarHBondContact O-CB 3.44Å; A257-L261 WeakPolarHBondContact O-CD1 3.25Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 2.75Å; A257-L289 HydrophobicContact CB-CD2 3.85Å; A257-M292 HydrophobicContact CB-CE 3.42Å; A257-M292 VanDerWaalsContact CB-CE 3.42Å
258	H	96.2	Very high	96.1	Very high	89 Å²	89	37.2 Å²	37.2	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-52.7	174.7	-177.3	-85.8	0	0	0	111.6	V254 D255 A256 L260 L261 E262 M292	V254-H258 WeakPolarHBondContact O-CB 3.35Å; V254-H258 PolarHBondContact O-N 2.97Å; D255-H258 PolarHBondContact O-N 3.08Å; A256-H258 VanDerWaalsContact C-N 3.33Å; A256-H258 PolarHBondContact O-N 3.18Å; H258-L260 VanDerWaalsContact C-N 3.31Å; H258-L260 PolarHBondContact O-N 2.96Å; H258-L261 PolarHBondContact O-N 3.19Å; H258-L261 VanDerWaalsContact O-N 3.13Å; H258-E262 IonicContact CE1-OE1 3.2Å; H258-E262 PolarHBondContact CE1-OE1 3.43Å; H258-E262 IonicContact CE1-OE2 3.86Å; H258-E262 PolarHBondContact CE1-OE2 3.44Å; H258-E262 IonicContact ND1-OE1 2.88Å; H258-E262 IonicContact ND1-OE2 2.71Å; H258-E262 PolarHBondContact ND1-OE2 2.86Å; H258-E262 IonicContact NE2-OE1 2.92Å; H258-E262 PolarHBondContact O-N 3.14Å; H258-M292 HydrophobicContact CB-CE 4.47Å; H258-M292 HydrophobicContact CB-SD 3.88Å
259	I	96.6	Very high	96.1	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-43.4	179.6	-68.1	160.4	0	0	0	111.1	P220 T223 N224 I227 D255 A256 L261 E262 A263	P220-I259 VanDerWaalsContact CA-CD1 3.48Å; P220-I259 HydrophobicContact CB-CD1 3.69Å; P220-I259 VanDerWaalsContact O-CD1 3.26Å; P220-I259 WeakPolarHBondContact O-CD1 3.5Å; T223-I259 HydrophobicContact CG2-CB 4.2Å; T223-I259 HydrophobicContact CG2-CG2 3.93Å; N224-I259 HydrophobicContact CB-CD1 4.05Å; N224-I259 HydrophobicContact CB-CG2 4.5Å; I227-I259 HydrophobicContact CG1-CG2 4.04Å; D255-I259 WeakPolarHBondContact O-CD1 3.15Å; D255-I259 WeakPolarHBondContact O-CG1 3.49Å; D255-I259 PolarHBondContact O-N 3.15Å; A256-I259 PolarHBondContact O-N 3.39Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 3.05Å; I259-E262 PolarHBondContact O-N 2.84Å; I259-A263 VanDerWaalsContact O-CB 3.31Å; I259-A263 WeakPolarHBondContact O-CB 3.33Å; I259-A263 PolarHBondContact O-N 3.24Å
260	L	98.1	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-39.4	178.4	-72	167.9	0	0	0	111.8	L210 A214 T223 I227 V233 P244 L245 A248 A256 A257 H258 A263 G264 A265	L210-L260 HydrophobicContact CD1-CD2 4.23Å; L210-L260 HydrophobicContact CD2-CD2 3.98Å; L210-L260 HydrophobicContact CG-CD2 4.28Å; A214-L260 HydrophobicContact CB-CD1 4.32Å; T223-L260 HydrophobicContact CG2-CD2 4.48Å; T223-L260 HydrophobicContact CG2-CG 4.24Å; I227-L260 HydrophobicContact CD1-CD2 4.14Å; V233-L260 HydrophobicContact CG1-CD2 4.09Å; P244-L260 HydrophobicContact CB-CD1 3.89Å; P244-L260 HydrophobicContact CB-CD2 3.79Å; P244-L260 WeakPolarHBondContact O-CD1 3.46Å; L245-L260 HydrophobicContact CB-CD1 4.41Å; L245-L260 HydrophobicContact CD1-CB 4.3Å; A248-L260 HydrophobicContact CB-CD1 4Å; A256-L260 VanDerWaalsContact O-CB 3.31Å; A256-L260 WeakPolarHBondContact O-CB 3.18Å; A256-L260 WeakPolarHBondContact O-CD1 3.39Å; A256-L260 WeakPolarHBondContact O-CG 3.48Å; A256-L260 PolarHBondContact O-N 2.74Å; A257-L260 PolarHBondContact O-N 2.87Å; H258-L260 VanDerWaalsContact C-N 3.31Å; H258-L260 PolarHBondContact O-N 2.96Å; L260-A263 CarbonylContact O-C 3.31Å; L260-A263 PolarHBondContact O-N 3.23Å; L260-G264 PolarHBondContact O-N 2.94Å; L260-A265 HydrophobicContact CB-CB 3.99Å; L260-A265 WeakPolarHBondContact O-CB 3.3Å; L260-A265 PolarHBondContact O-N 2.9Å
261	L	96.4	Very high	96.1	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-40.5	177.6	-71	168.7	0	0	0	112.3	L245 A257 H258 I259 A263 G264 V267 M292 L293 T296 R300	L245-L261 HydrophobicContact CD1-CD2 4.28Å; L245-L261 HydrophobicContact CD1-CG 4.16Å; L245-L261 HydrophobicContact CD2-CD2 3.69Å; L245-L261 HydrophobicContact CD2-CG 4.44Å; A257-L261 WeakPolarHBondContact O-CB 3.44Å; A257-L261 WeakPolarHBondContact O-CD1 3.25Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 2.75Å; H258-L261 PolarHBondContact O-N 3.19Å; H258-L261 VanDerWaalsContact O-N 3.13Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 3.05Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-G264 PolarHBondContact O-N 3.18Å; L261-G264 VanDerWaalsContact O-N 3.09Å; L261-V267 HydrophobicContact CD2-CG1 3.4Å; L261-V267 VanDerWaalsContact CD2-CG1 3.4Å; L261-M292 HydrophobicContact CD1-CE 3.83Å; L261-M292 HydrophobicContact CD1-CG 3.81Å; L261-M292 HydrophobicContact CD1-SD 4.22Å; L261-L293 HydrophobicContact CD1-CD2 4.06Å; L261-L293 HydrophobicContact CD2-CD2 3.98Å; L261-T296 HydrophobicContact CB-CG2 4.27Å; L261-T296 HydrophobicContact CD2-CG2 3.99Å; L261-R300 PolarHBondContact O-NH2 2.91Å
262	E	93.1	Very high	96.2	Very high	144 Å²	144	44.2 Å²	44.2	67%	0.673	26%	0.259	S	S	*	.	H	α-helix	trans	-61.7	-39.9	171.7	-72.2	-174.5	137.7	0	0	111.5	H258 I259 G264	H258-E262 IonicContact CE1-OE1 3.2Å; H258-E262 PolarHBondContact CE1-OE1 3.43Å; H258-E262 IonicContact CE1-OE2 3.86Å; H258-E262 PolarHBondContact CE1-OE2 3.44Å; H258-E262 IonicContact ND1-OE1 2.88Å; H258-E262 IonicContact ND1-OE2 2.71Å; H258-E262 PolarHBondContact ND1-OE2 2.86Å; H258-E262 IonicContact NE2-OE1 2.92Å; H258-E262 PolarHBondContact O-N 3.14Å; I259-E262 PolarHBondContact O-N 2.84Å; E262-G264 PolarHBondContact O-N 2.63Å
263	A	95	Very high	96.3	Very high	40 Å²	40	47.3 Å²	47.3	33%	0.331	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	1.9	174.3	0	0	0	0	0	113.9	I227 V233 I259 L260 L261	I227-A263 HydrophobicContact CD1-CB 4.03Å; I227-A263 HydrophobicContact CG1-CB 4.31Å; I227-A263 HydrophobicContact CG2-CB 3.75Å; V233-A263 HydrophobicContact CG1-CB 3.83Å; I259-A263 VanDerWaalsContact O-CB 3.31Å; I259-A263 WeakPolarHBondContact O-CB 3.33Å; I259-A263 PolarHBondContact O-N 3.24Å; L260-A263 CarbonylContact O-C 3.31Å; L260-A263 PolarHBondContact O-N 3.23Å; L261-A263 VanDerWaalsContact C-N 3.31Å
264	G	94.3	Very high	96.4	Very high	48 Å²	48	48.9 Å²	48.9	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	15.3	173.6	0	0	0	0	0	115.5	L260 L261 E262 S266	L260-G264 PolarHBondContact O-N 2.94Å; L261-G264 PolarHBondContact O-N 3.18Å; L261-G264 VanDerWaalsContact O-N 3.09Å; E262-G264 PolarHBondContact O-N 2.63Å; G264-S266 PolarHBondContact O-N 2.97Å
265	A	97.3	Very high	96.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	28%	0.284	C	S	.	.			trans	-55.2	133.1	175.7	0	0	0	0	0	111.4	V233 L245 L260 V267 R300	V233-A265 HydrophobicContact CB-CB 4.12Å; L245-A265 HydrophobicContact CB-CB 4.08Å; L245-A265 HydrophobicContact CD2-CB 4.06Å; L260-A265 HydrophobicContact CB-CB 3.99Å; L260-A265 WeakPolarHBondContact O-CB 3.3Å; L260-A265 PolarHBondContact O-N 2.9Å; A265-V267 PolarHBondContact O-N 2.88Å; A265-R300 VanDerWaalsContact O-CZ 3.23Å; A265-R300 PolarHBondContact O-NH1 3.43Å; A265-R300 PolarHBondContact O-NH2 2.86Å
266	S	96.3	Very high	96.6	Very high	57 Å²	57	46.9 Å²	46.9	40%	0.399	27%	0.27	S	S	.	.			trans	-69	128.4	-176.7	-178.1	0	0	0	0	111.9	G264 D268 A269	G264-S266 PolarHBondContact O-N 2.97Å; S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact OG-N 3.25Å; S266-A269 PolarHBondContact OG-N 3.39Å
267	V	96.1	Very high	96.6	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	27%	0.27	C	S	.	.	S	Bend	trans	-81.9	-11.3	172.9	-64.9	0	0	0	0	112.8	L245 L261 A265 L293 T296 K297	L245-V267 HydrophobicContact CD2-CG1 4.46Å; L261-V267 HydrophobicContact CD2-CG1 3.4Å; L261-V267 VanDerWaalsContact CD2-CG1 3.4Å; A265-V267 PolarHBondContact O-N 2.88Å; V267-L293 HydrophobicContact CG1-CD2 3.92Å; V267-T296 HydrophobicContact CG1-CG2 4.45Å; V267-K297 HydrophobicContact CG2-CB 4Å; V267-K297 HydrophobicContact CG2-CD 4.4Å; V267-K297 HydrophobicContact CG2-CG 4.2Å
268	D	95.7	Very high	96.6	Very high	86 Å²	86	47.6 Å²	47.6	46%	0.46	27%	0.273	S	S	.	.	S	Bend	trans	-111.1	6	-177.5	-55.5	-59	0	0	0	111.7	S266 K297	S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact OG-N 3.25Å; D268-K297 WeakPolarHBondContact OD1-CE 3.29Å; D268-K297 IonicContact OD1-NZ 3.36Å; D268-K297 PolarHBondContact OD1-NZ 2.87Å
269	A	97	Very high	96.6	Very high	25 Å²	25	45.7 Å²	45.7	21%	0.207	27%	0.266	C	S	.	.			trans	-66.1	135.4	172.9	0	0	0	0	0	109.5	T243 H246 S266 T276 P277	T243-A269 HydrophobicContact CG2-CB 4.17Å; H246-A269 PolarHBondContact CE1-O 3.47Å; H246-A269 PolarHBondContact NE2-O 3.42Å; H246-A269 VanDerWaalsContact NE2-O 3.17Å; S266-A269 PolarHBondContact OG-N 3.39Å; A269-T276 WeakPolarHBondContact O-CA 3.49Å; A269-P277 WeakPolarHBondContact O-CD 3.4Å
270	E	97.6	Very high	96.6	Very high	130 Å²	130	45 Å²	45	61%	0.607	26%	0.263	S	S	*	.			trans	-105.2	136.9	177.5	-69.4	176.2	-173.4	0	0	110.1	T276	E270-T276 HydrophobicContact CG-CG2 3.98Å
271	N	97.4	Very high	96.6	Very high	12 Å²	12	45 Å²	45	6%	0.064	26%	0.263	C	S	.	.			trans	-80.9	-174.3	170.4	76.8	3.1	0	0	0	111.5	N240 N242 N273 G274 H275	N240-N271 WeakPolarHBondContact O-CB 3.42Å; N242-N271 VanDerWaalsContact OD1-CB 3.3Å; N242-N271 WeakPolarHBondContact OD1-CB 3.14Å; N242-N271 PolarHBondContact OD1-ND2 3.28Å; N271-N273 PolarHBondContact O-N 3.08Å; N271-N273 VanDerWaalsContact O-N 3.1Å; N271-N273 PolarHBondContact OD1-N 2.82Å; N271-G274 PolarHBondContact O-N 3.13Å; N271-G274 PolarHBondContact OD1-N 3.06Å; N271-H275 PolarHBondContact N-O 3.41Å; N271-H275 PolarHBondContact OD1-N 3.18Å; N271-H275 VanDerWaalsContact OD1-N 3.07Å; N271-H275 PolarHBondContact OD1-O 2.97Å
272	I	97.3	Very high	96.6	Very high	101 Å²	101	50.7 Å²	50.7	52%	0.518	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.9	-177.3	-161	167.3	0	0	0	113.8	N240 R241 G274	N240-I272 WeakPolarHBondContact O-CB 3.32Å; N240-I272 VanDerWaalsContact O-CG2 3.3Å; N240-I272 WeakPolarHBondContact O-CG2 3.45Å; N240-I272 PolarHBondContact O-N 2.99Å; R241-I272 HydrophobicContact CB-CB 4.41Å; R241-I272 HydrophobicContact CG-CB 4.34Å; I272-G274 VanDerWaalsContact C-N 3.34Å
273	N	96.5	Very high	96.6	Very high	105 Å²	105	49 Å²	49	56%	0.561	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	5.1	179.3	-60.6	-43.3	0	0	0	112.7	N271 H275	N271-N273 PolarHBondContact O-N 3.08Å; N271-N273 VanDerWaalsContact O-N 3.1Å; N271-N273 PolarHBondContact OD1-N 2.82Å; N273-H275 PolarHBondContact O-N 2.8Å
274	G	97.3	Very high	96.6	Very high	34 Å²	34	49.9 Å²	49.9	35%	0.351	28%	0.276	S	S	.	.	S	Bend	trans	73	12.5	-175.1	0	0	0	0	0	113.9	N271 I272	N271-G274 PolarHBondContact O-N 3.13Å; N271-G274 PolarHBondContact OD1-N 3.06Å; I272-G274 VanDerWaalsContact C-N 3.34Å
275	H	97.9	Very high	96.6	Very high	59 Å²	59	55.4 Å²	55.4	27%	0.273	29%	0.289	S	S	.	.			trans	-85.5	132.7	177.5	-63.6	156.8	0	0	0	110.5	H246 N271 N273 D279 L280 Q283	H246-H275 PolarHBondContact NE2-O 3.17Å; H246-H275 VanDerWaalsContact NE2-O 3.1Å; N271-H275 PolarHBondContact N-O 3.41Å; N271-H275 PolarHBondContact OD1-N 3.18Å; N271-H275 VanDerWaalsContact OD1-N 3.07Å; N271-H275 PolarHBondContact OD1-O 2.97Å; N273-H275 PolarHBondContact O-N 2.8Å; H275-D279 HydrophobicContact CB-CB 4.27Å; H275-L280 HydrophobicContact CB-CD2 3.69Å; H275-L280 HydrophobicContact CB-CG 4.13Å; H275-Q283 PolarHBondContact CE1-NE2 3.3Å; H275-Q283 PolarHBondContact ND1-NE2 2.7Å; H275-Q283 PolarHBondContact NE2-NE2 3.48Å
276	T	97.9	Very high	96.5	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.117	30%	0.297	C	S	.	.			trans	-84.7	166.1	168.4	67.8	0	0	0	0	111.2	A269 E270 M278 D279 L280	A269-T276 WeakPolarHBondContact O-CA 3.49Å; E270-T276 HydrophobicContact CG-CG2 3.98Å; T276-M278 PolarHBondContact O-N 3.26Å; T276-M278 VanDerWaalsContact O-N 3.13Å; T276-M278 PolarHBondContact OG1-N 2.84Å; T276-D279 WeakPolarHBondContact CB-OD2 3.48Å; T276-D279 PolarHBondContact N-OD2 2.99Å; T276-D279 PolarHBondContact O-N 3.28Å; T276-D279 VanDerWaalsContact OG1-CG 3.24Å; T276-D279 PolarHBondContact OG1-N 3.27Å; T276-D279 PolarHBondContact OG1-OD2 3.38Å; T276-L280 PolarHBondContact O-N 2.69Å
277	P	97.8	Very high	96.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.2	-31.3	170.9	-26.4	35.5	0	0	0	112.8	L245 H246 V249 A269 A281 L293	L245-P277 HydrophobicContact CB-CG 4.49Å; L245-P277 HydrophobicContact CD2-CB 4.06Å; L245-P277 HydrophobicContact CD2-CG 3.84Å; L245-P277 HydrophobicContact CG-CB 3.99Å; L245-P277 HydrophobicContact CG-CG 3.97Å; H246-P277 WeakPolarHBondContact NE2-CD 3.44Å; V249-P277 HydrophobicContact CG2-CB 4.21Å; A269-P277 WeakPolarHBondContact O-CD 3.4Å; P277-A281 WeakPolarHBondContact O-CB 3.36Å; P277-A281 PolarHBondContact O-N 3.02Å; P277-L293 HydrophobicContact CB-CD1 4.21Å; P277-L293 HydrophobicContact CB-CD2 4.2Å; P277-L293 WeakPolarHBondContact O-CD1 3.25Å
278	M	96.4	Very high	96.4	Very high	15 Å²	15	63.4 Å²	63.4	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-41.6	175.5	-177.4	63.4	70.4	0	0	112.1	T276 A281 R282 I290 L293 N294	T276-M278 PolarHBondContact O-N 3.26Å; T276-M278 VanDerWaalsContact O-N 3.13Å; T276-M278 PolarHBondContact OG1-N 2.84Å; M278-A281 PolarHBondContact O-N 3.33Å; M278-R282 WeakPolarHBondContact O-CG 3.45Å; M278-R282 PolarHBondContact O-N 3.01Å; M278-R282 VanDerWaalsContact O-N 3.13Å; M278-I290 HydrophobicContact SD-CB 4.43Å; M278-I290 HydrophobicContact SD-CG2 4.03Å; M278-L293 HydrophobicContact CE-CB 3.35Å; M278-L293 HydrophobicContact SD-CB 4.28Å; M278-N294 HydrophobicContact CE-CB 4.09Å; M278-N294 WeakPolarHBondContact CE-OD1 3.27Å
279	D	97.1	Very high	96.4	Very high	49 Å²	49	59.3 Å²	59.3	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-40.8	179.8	-56.2	-44.7	0	0	0	110.7	H275 T276 A281 R282 Q283	H275-D279 HydrophobicContact CB-CB 4.27Å; T276-D279 WeakPolarHBondContact CB-OD2 3.48Å; T276-D279 PolarHBondContact N-OD2 2.99Å; T276-D279 PolarHBondContact O-N 3.28Å; T276-D279 VanDerWaalsContact OG1-CG 3.24Å; T276-D279 PolarHBondContact OG1-N 3.27Å; T276-D279 PolarHBondContact OG1-OD2 3.38Å; D279-A281 VanDerWaalsContact C-N 3.35Å; D279-A281 PolarHBondContact O-N 3.27Å; D279-R282 PolarHBondContact O-N 3.17Å; D279-R282 IonicContact OD1-NH1 3.96Å; D279-R282 PolarHBondContact OD1-NH1 2.92Å; D279-Q283 WeakPolarHBondContact O-CG 3.31Å; D279-Q283 PolarHBondContact O-N 3.36Å
280	L	97.1	Very high	96.4	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.9	-60.1	-171.4	0	0	0	111.8	H246 V249 L250 H275 T276 R282 Q283 V284	H246-L280 HydrophobicContact CB-CD1 3.98Å; V249-L280 HydrophobicContact CG1-CB 3.86Å; L250-L280 HydrophobicContact CD1-CD1 3.95Å; L250-L280 HydrophobicContact CD2-CB 4.26Å; L250-L280 HydrophobicContact CD2-CD1 3.93Å; L250-L280 HydrophobicContact CD2-CD2 4.23Å; L250-L280 HydrophobicContact CD2-CG 4.38Å; L250-L280 HydrophobicContact CG-CD1 3.76Å; H275-L280 HydrophobicContact CB-CD2 3.69Å; H275-L280 HydrophobicContact CB-CG 4.13Å; T276-L280 PolarHBondContact O-N 2.69Å; L280-R282 PolarHBondContact O-N 3.32Å; L280-Q283 WeakPolarHBondContact O-CB 3.37Å; L280-Q283 PolarHBondContact O-N 3.04Å; L280-Q283 VanDerWaalsContact O-N 3.08Å; L280-V284 WeakPolarHBondContact O-CG2 3.5Å; L280-V284 PolarHBondContact O-N 3.27Å
281	A	97	Very high	96.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-33.9	177.4	0	0	0	0	0	112.5	V249 P277 M278 D279 Q285 S286 L289 I290 L293	V249-A281 HydrophobicContact CG1-CB 3.75Å; V249-A281 VanDerWaalsContact CG1-N 3.32Å; P277-A281 WeakPolarHBondContact O-CB 3.36Å; P277-A281 PolarHBondContact O-N 3.02Å; M278-A281 PolarHBondContact O-N 3.33Å; D279-A281 VanDerWaalsContact C-N 3.35Å; D279-A281 PolarHBondContact O-N 3.27Å; A281-Q285 PolarHBondContact O-N 3.02Å; A281-S286 PolarHBondContact O-N 3.39Å; A281-S286 VanDerWaalsContact O-N 3.1Å; A281-L289 HydrophobicContact CB-CB 4.05Å; A281-I290 HydrophobicContact CB-CG1 3.83Å; A281-L293 HydrophobicContact CB-CD1 3.81Å
282	R	96.3	Very high	96.1	Very high	131 Å²	131	60.1 Å²	60.1	49%	0.494	31%	0.312	S	S	.	.	H	α-helix	trans	-71.1	-41.1	172.1	-66.7	179.7	-170.2	119	-1.5	112.2	M278 D279 L280 Q285 I290	M278-R282 WeakPolarHBondContact O-CG 3.45Å; M278-R282 PolarHBondContact O-N 3.01Å; M278-R282 VanDerWaalsContact O-N 3.13Å; D279-R282 PolarHBondContact O-N 3.17Å; D279-R282 IonicContact OD1-NH1 3.96Å; D279-R282 PolarHBondContact OD1-NH1 2.92Å; L280-R282 PolarHBondContact O-N 3.32Å; R282-Q285 PolarHBondContact O-N 3.38Å; R282-Q285 VanDerWaalsContact O-N 3.1Å; R282-I290 HydrophobicContact CG-CD1 3.96Å; R282-I290 HydrophobicContact CG-CG1 4.2Å
283	Q	94.4	Very high	96	Very high	107 Å²	107	55.3 Å²	55.3	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-43.2	177.8	-72.2	172.2	10	0	0	112	H275 D279 L280 Q285	H275-Q283 PolarHBondContact CE1-NE2 3.3Å; H275-Q283 PolarHBondContact ND1-NE2 2.7Å; H275-Q283 PolarHBondContact NE2-NE2 3.48Å; D279-Q283 WeakPolarHBondContact O-CG 3.31Å; D279-Q283 PolarHBondContact O-N 3.36Å; L280-Q283 WeakPolarHBondContact O-CB 3.37Å; L280-Q283 PolarHBondContact O-N 3.04Å; L280-Q283 VanDerWaalsContact O-N 3.08Å; Q283-Q285 PolarHBondContact O-N 3.42Å
284	V	94.1	Very high	95.9	Very high	60 Å²	60	52.9 Å²	52.9	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.6	175.7	-53.9	0	0	0	0	113.4	L250 L280 S286	L250-V284 HydrophobicContact CD2-CG1 4.37Å; L280-V284 WeakPolarHBondContact O-CG2 3.5Å; L280-V284 PolarHBondContact O-N 3.27Å; V284-S286 PolarHBondContact O-N 2.95Å
285	Q	94.5	Very high	95.6	Very high	164 Å²	164	53.8 Å²	53.8	77%	0.766	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.8	176.5	-57.8	-178.8	-10.8	0	0	113.9	A281 R282 Q283 P287	A281-Q285 PolarHBondContact O-N 3.02Å; R282-Q285 PolarHBondContact O-N 3.38Å; R282-Q285 VanDerWaalsContact O-N 3.1Å; Q283-Q285 PolarHBondContact O-N 3.42Å; Q285-P287 VanDerWaalsContact O-CD 3.29Å; Q285-P287 WeakPolarHBondContact O-CD 3.4Å
286	S	94.8	Very high	95.3	Very high	25 Å²	25	51.9 Å²	51.9	18%	0.175	27%	0.266	C	S	.	.			trans	-102.3	100.7	178.2	179.4	0	0	0	0	111.8	A281 V284 L288 L289 I290	A281-S286 PolarHBondContact O-N 3.39Å; A281-S286 VanDerWaalsContact O-N 3.1Å; V284-S286 PolarHBondContact O-N 2.95Å; S286-L288 VanDerWaalsContact C-N 3.25Å; S286-L288 PolarHBondContact O-N 3.03Å; S286-L289 PolarHBondContact O-N 3.3Å; S286-L289 WeakPolarHBondContact OG-CG 3.12Å; S286-L289 PolarHBondContact OG-N 2.87Å; S286-I290 WeakPolarHBondContact O-CD1 3.29Å; S286-I290 VanDerWaalsContact O-CG1 3.26Å; S286-I290 WeakPolarHBondContact O-CG1 3.39Å; S286-I290 PolarHBondContact O-N 3.17Å
287	P	94.7	Very high	95	Very high	105 Å²	105	54.7 Å²	54.7	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-34.2	-177.8	-22	34.2	0	0	0	112.7	Q285 H291	Q285-P287 VanDerWaalsContact O-CD 3.29Å; Q285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-H291 WeakPolarHBondContact O-CB 3.35Å; P287-H291 PolarHBondContact O-N 3.46Å
288	L	95.2	Very high	94.5	Very high	100 Å²	100	60.2 Å²	60.2	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-45.3	-180	-178	57.5	0	0	0	111.6	V254 S286 H291 M292	V254-L288 HydrophobicContact CG1-CD2 3.87Å; V254-L288 HydrophobicContact CG1-CG 4.23Å; V254-L288 HydrophobicContact CG2-CD2 4Å; V254-L288 HydrophobicContact CG2-CG 4.48Å; S286-L288 VanDerWaalsContact C-N 3.25Å; S286-L288 PolarHBondContact O-N 3.03Å; L288-H291 PolarHBondContact O-N 3.05Å; L288-M292 WeakPolarHBondContact O-CB 3.47Å; L288-M292 PolarHBondContact O-N 2.79Å
289	L	96	Very high	93.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-41.8	176.3	-70.9	175.3	0	0	0	111.4	V249 V254 A257 A281 S286 H291 M292 L293	V249-L289 HydrophobicContact CB-CD1 4.45Å; V249-L289 HydrophobicContact CG1-CD1 4.26Å; V249-L289 HydrophobicContact CG2-CD1 4.44Å; V254-L289 HydrophobicContact CB-CD2 4.43Å; V254-L289 HydrophobicContact CG2-CD2 3.97Å; V254-L289 HydrophobicContact CG2-CG 4.21Å; A257-L289 HydrophobicContact CB-CD2 3.85Å; A281-L289 HydrophobicContact CB-CB 4.05Å; S286-L289 PolarHBondContact O-N 3.3Å; S286-L289 WeakPolarHBondContact OG-CG 3.12Å; S286-L289 PolarHBondContact OG-N 2.87Å; L289-H291 VanDerWaalsContact C-N 3.32Å; L289-H291 PolarHBondContact O-N 2.96Å; L289-M292 HydrophobicContact CD2-CE 3.75Å; L289-M292 PolarHBondContact O-N 2.97Å; L289-L293 WeakPolarHBondContact O-CB 3.42Å; L289-L293 WeakPolarHBondContact O-CD1 3.41Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.12Å
290	I	96.6	Very high	93.4	Very high	42 Å²	42	65.1 Å²	65.1	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-46.7	174.4	-67	165.1	0	0	0	110.3	M278 A281 R282 S286 N294	M278-I290 HydrophobicContact SD-CB 4.43Å; M278-I290 HydrophobicContact SD-CG2 4.03Å; A281-I290 HydrophobicContact CB-CG1 3.83Å; R282-I290 HydrophobicContact CG-CD1 3.96Å; R282-I290 HydrophobicContact CG-CG1 4.2Å; S286-I290 WeakPolarHBondContact O-CD1 3.29Å; S286-I290 VanDerWaalsContact O-CG1 3.26Å; S286-I290 WeakPolarHBondContact O-CG1 3.39Å; S286-I290 PolarHBondContact O-N 3.17Å; I290-N294 WeakPolarHBondContact CG2-ND2 3.5Å; I290-N294 VanDerWaalsContact O-CB 3.27Å; I290-N294 WeakPolarHBondContact O-CB 3.16Å; I290-N294 PolarHBondContact O-N 3.5Å; I290-N294 PolarHBondContact O-ND2 3.39Å; I290-N294 VanDerWaalsContact O-ND2 3.08Å
291	H	94.9	Very high	92.7	Very high	119 Å²	119	70 Å²	70	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-61.2	-50.4	177.8	-179.1	69.3	0	0	0	111.4	P287 L288 L289 L293 N294 V295	P287-H291 WeakPolarHBondContact O-CB 3.35Å; P287-H291 PolarHBondContact O-N 3.46Å; L288-H291 PolarHBondContact O-N 3.05Å; L289-H291 VanDerWaalsContact C-N 3.32Å; L289-H291 PolarHBondContact O-N 2.96Å; H291-L293 PolarHBondContact O-N 3.5Å; H291-N294 PolarHBondContact O-N 3.05Å; H291-V295 VanDerWaalsContact O-CG2 3.32Å; H291-V295 WeakPolarHBondContact O-CG2 3.46Å; H291-V295 PolarHBondContact O-N 2.62Å
292	M	94.4	Very high	91.9	Very high	23 Å²	23	76 Å²	76	11%	0.113	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-45.2	-178.2	-173.5	171.4	70.1	0	0	112.5	V254 A257 H258 L261 L288 L289 V295 T296	V254-M292 HydrophobicContact CG1-CE 4.48Å; A257-M292 HydrophobicContact CB-CE 3.42Å; A257-M292 VanDerWaalsContact CB-CE 3.42Å; H258-M292 HydrophobicContact CB-CE 4.47Å; H258-M292 HydrophobicContact CB-SD 3.88Å; L261-M292 HydrophobicContact CD1-CE 3.83Å; L261-M292 HydrophobicContact CD1-CG 3.81Å; L261-M292 HydrophobicContact CD1-SD 4.22Å; L288-M292 WeakPolarHBondContact O-CB 3.47Å; L288-M292 PolarHBondContact O-N 2.79Å; L289-M292 HydrophobicContact CD2-CE 3.75Å; L289-M292 PolarHBondContact O-N 2.97Å; M292-V295 PolarHBondContact O-N 3.32Å; M292-T296 WeakPolarHBondContact O-CB 3.33Å; M292-T296 PolarHBondContact O-N 3.49Å; M292-T296 PolarHBondContact O-OG1 3.05Å
293	L	96.1	Very high	91	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-38.6	176.8	-68.2	166.8	0	0	0	111.5	L245 V249 L261 V267 P277 M278 A281 L289 H291 K297	L245-L293 HydrophobicContact CD1-CD2 4.41Å; L245-L293 HydrophobicContact CD2-CD2 4.12Å; V249-L293 HydrophobicContact CG2-CD1 4.12Å; L261-L293 HydrophobicContact CD1-CD2 4.06Å; L261-L293 HydrophobicContact CD2-CD2 3.98Å; V267-L293 HydrophobicContact CG1-CD2 3.92Å; P277-L293 HydrophobicContact CB-CD1 4.21Å; P277-L293 HydrophobicContact CB-CD2 4.2Å; P277-L293 WeakPolarHBondContact O-CD1 3.25Å; M278-L293 HydrophobicContact CE-CB 3.35Å; M278-L293 HydrophobicContact SD-CB 4.28Å; A281-L293 HydrophobicContact CB-CD1 3.81Å; L289-L293 WeakPolarHBondContact O-CB 3.42Å; L289-L293 WeakPolarHBondContact O-CD1 3.41Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.12Å; H291-L293 PolarHBondContact O-N 3.5Å; L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.32Å; L293-K297 PolarHBondContact O-N 2.95Å
294	N	93.9	Very high	90.1	Very high	55 Å²	55	72.6 Å²	72.6	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-46.7	177.8	-86.1	-39.3	0	0	0	111.3	M278 I290 H291 T296 K297 H298	M278-N294 HydrophobicContact CE-CB 4.09Å; M278-N294 WeakPolarHBondContact CE-OD1 3.27Å; I290-N294 WeakPolarHBondContact CG2-ND2 3.5Å; I290-N294 VanDerWaalsContact O-CB 3.27Å; I290-N294 WeakPolarHBondContact O-CB 3.16Å; I290-N294 PolarHBondContact O-N 3.5Å; I290-N294 PolarHBondContact O-ND2 3.39Å; I290-N294 VanDerWaalsContact O-ND2 3.08Å; H291-N294 PolarHBondContact O-N 3.05Å; N294-T296 VanDerWaalsContact C-N 3.33Å; N294-T296 PolarHBondContact O-N 2.79Å; N294-K297 PolarHBondContact O-N 2.85Å; N294-H298 WeakPolarHBondContact O-CB 3.29Å; N294-H298 PolarHBondContact O-CD2 3.2Å; N294-H298 PolarHBondContact O-N 2.87Å
295	V	90.9	Very high	89.6	Confident	53 Å²	53	72 Å²	72	32%	0.321	37%	0.365	S	S	.	.	H	α-helix	trans	-56.4	-51.1	175.6	169.4	0	0	0	0	109.3	H291 M292 K297 H298 E299	H291-V295 VanDerWaalsContact O-CG2 3.32Å; H291-V295 WeakPolarHBondContact O-CG2 3.46Å; H291-V295 PolarHBondContact O-N 2.62Å; M292-V295 PolarHBondContact O-N 3.32Å; V295-K297 PolarHBondContact O-N 3.37Å; V295-H298 PolarHBondContact O-N 2.93Å; V295-E299 HydrophobicContact CG1-CG 4.3Å; V295-E299 WeakPolarHBondContact O-CB 3.34Å; V295-E299 WeakPolarHBondContact O-CG 3.21Å; V295-E299 PolarHBondContact O-N 2.87Å
296	T	91.2	Very high	89	Confident	19 Å²	19	74.4 Å²	74.4	12%	0.117	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-42.5	-179.3	-53.1	0	0	0	0	112.1	L261 V267 M292 N294 E299 R300	L261-T296 HydrophobicContact CB-CG2 4.27Å; L261-T296 HydrophobicContact CD2-CG2 3.99Å; V267-T296 HydrophobicContact CG1-CG2 4.45Å; M292-T296 WeakPolarHBondContact O-CB 3.33Å; M292-T296 PolarHBondContact O-N 3.49Å; M292-T296 PolarHBondContact O-OG1 3.05Å; N294-T296 VanDerWaalsContact C-N 3.33Å; N294-T296 PolarHBondContact O-N 2.79Å; T296-E299 PolarHBondContact O-N 3.15Å; T296-R300 HydrophobicContact CG2-CG 4.45Å; T296-R300 WeakPolarHBondContact O-CB 3.29Å; T296-R300 VanDerWaalsContact O-CG 3.29Å; T296-R300 WeakPolarHBondContact O-CG 3.5Å; T296-R300 PolarHBondContact O-N 2.9Å
297	K	91.2	Very high	88.3	Confident	78 Å²	78	77.3 Å²	77.3	34%	0.339	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175.6	-176.8	165	179.5	150.3	0	111.3	V267 D268 L293 N294 V295 E299 R300 I301	V267-K297 HydrophobicContact CG2-CB 4Å; V267-K297 HydrophobicContact CG2-CD 4.4Å; V267-K297 HydrophobicContact CG2-CG 4.2Å; D268-K297 WeakPolarHBondContact OD1-CE 3.29Å; D268-K297 IonicContact OD1-NZ 3.36Å; D268-K297 PolarHBondContact OD1-NZ 2.87Å; L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.32Å; L293-K297 PolarHBondContact O-N 2.95Å; N294-K297 PolarHBondContact O-N 2.85Å; V295-K297 PolarHBondContact O-N 3.37Å; K297-E299 PolarHBondContact O-N 3.27Å; K297-R300 PolarHBondContact O-N 2.81Å; K297-I301 HydrophobicContact CG-CD1 4.04Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.1Å; K297-I301 PolarHBondContact O-N 3.35Å
298	H	87.7	Confident	87.5	Confident	115 Å²	115	73.8 Å²	73.8	53%	0.532	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-39	177.5	-80.5	-61.5	0	0	0	112.8	N294 V295 I301 R302	N294-H298 WeakPolarHBondContact O-CB 3.29Å; N294-H298 PolarHBondContact O-CD2 3.2Å; N294-H298 PolarHBondContact O-N 2.87Å; V295-H298 PolarHBondContact O-N 2.93Å; H298-I301 PolarHBondContact O-N 2.82Å; H298-R302 VanDerWaalsContact O-CB 3.31Å; H298-R302 WeakPolarHBondContact O-CB 3.36Å; H298-R302 PolarHBondContact O-N 2.83Å
299	E	84.1	Confident	86.7	Confident	92 Å²	92	75.3 Å²	75.3	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-44.1	175.5	-76.9	-176.1	164.6	0	0	111.9	V295 T296 K297 R302 S303	V295-E299 HydrophobicContact CG1-CG 4.3Å; V295-E299 WeakPolarHBondContact O-CB 3.34Å; V295-E299 WeakPolarHBondContact O-CG 3.21Å; V295-E299 PolarHBondContact O-N 2.87Å; T296-E299 PolarHBondContact O-N 3.15Å; K297-E299 PolarHBondContact O-N 3.27Å; E299-R302 PolarHBondContact O-N 3.36Å; E299-S303 WeakPolarHBondContact O-CB 3.06Å; E299-S303 PolarHBondContact O-N 3.4Å; E299-S303 PolarHBondContact O-OG 3.17Å
300	R	86.2	Confident	86	Confident	75 Å²	75	81.3 Å²	81.3	28%	0.283	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-37.4	176.1	-70.4	174.8	-176.8	178.7	3.6	112.6	L261 A265 T296 K297 S303 N304	L261-R300 PolarHBondContact O-NH2 2.91Å; A265-R300 VanDerWaalsContact O-CZ 3.23Å; A265-R300 PolarHBondContact O-NH1 3.43Å; A265-R300 PolarHBondContact O-NH2 2.86Å; T296-R300 HydrophobicContact CG2-CG 4.45Å; T296-R300 WeakPolarHBondContact O-CB 3.29Å; T296-R300 VanDerWaalsContact O-CG 3.29Å; T296-R300 WeakPolarHBondContact O-CG 3.5Å; T296-R300 PolarHBondContact O-N 2.9Å; K297-R300 PolarHBondContact O-N 2.81Å; R300-S303 WeakPolarHBondContact CA-OG 3.38Å; R300-S303 PolarHBondContact O-OG 3.01Å; R300-N304 PolarHBondContact O-N 3.33Å
301	I	83.6	Confident	85.2	Confident	107 Å²	107	80.9 Å²	80.9	55%	0.549	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-45.9	172.8	-67.7	165.1	0	0	0	110.4	K297 H298 S303 N304	K297-I301 HydrophobicContact CG-CD1 4.04Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.1Å; K297-I301 PolarHBondContact O-N 3.35Å; H298-I301 PolarHBondContact O-N 2.82Å; I301-S303 VanDerWaalsContact C-N 3.35Å; I301-S303 PolarHBondContact O-N 3.41Å; I301-N304 WeakPolarHBondContact O-CB 3.4Å; I301-N304 PolarHBondContact O-N 3.49Å
302	R	80.2	Confident	84.5	Confident	125 Å²	125	78.5 Å²	78.5	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-38.8	179.5	-168.8	-173.4	-67.6	166.3	1.2	111.7	H298 E299 N304 S305 L308	H298-R302 VanDerWaalsContact O-CB 3.31Å; H298-R302 WeakPolarHBondContact O-CB 3.36Å; H298-R302 PolarHBondContact O-N 2.83Å; E299-R302 PolarHBondContact O-N 3.36Å; R302-N304 PolarHBondContact O-N 2.83Å; R302-S305 VanDerWaalsContact O-CB 3.22Å; R302-S305 WeakPolarHBondContact O-CB 3.31Å; R302-S305 PolarHBondContact O-N 3.32Å; R302-S305 VanDerWaalsContact O-N 3.08Å; R302-S305 PolarHBondContact O-OG 3.02Å; R302-L308 HydrophobicContact CG-CD2 4.15Å
303	S	75.7	Confident	84	Confident	52 Å²	52	86.7 Å²	86.7	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-22.7	179.6	72.7	0	0	0	0	113.4	E299 R300 I301 S305 R309	E299-S303 WeakPolarHBondContact O-CB 3.06Å; E299-S303 PolarHBondContact O-N 3.4Å; E299-S303 PolarHBondContact O-OG 3.17Å; R300-S303 WeakPolarHBondContact CA-OG 3.38Å; R300-S303 PolarHBondContact O-OG 3.01Å; I301-S303 VanDerWaalsContact C-N 3.35Å; I301-S303 PolarHBondContact O-N 3.41Å; S303-S305 PolarHBondContact O-N 3.27Å; S303-R309 WeakPolarHBondContact O-CG 3.19Å
304	N	77	Confident	83.6	Confident	115 Å²	115	91.1 Å²	91.1	62%	0.615	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.9	172.9	-159.1	8.2	0	0	0	113.1	R300 I301 R302 R306 R309	R300-N304 PolarHBondContact O-N 3.33Å; I301-N304 WeakPolarHBondContact O-CB 3.4Å; I301-N304 PolarHBondContact O-N 3.49Å; R302-N304 PolarHBondContact O-N 2.83Å; N304-R306 PolarHBondContact O-N 3.29Å; N304-R309 PolarHBondContact O-NH2 2.8Å
305	S	82.6	Confident	83.3	Confident	47 Å²	47	91.4 Å²	91.4	33%	0.329	42%	0.422	S	S	.	.	S	Bend	trans	-61.4	138.2	177.7	73.2	0	0	0	0	112.1	R302 S303 C307 L308 R309	R302-S305 VanDerWaalsContact O-CB 3.22Å; R302-S305 WeakPolarHBondContact O-CB 3.31Å; R302-S305 PolarHBondContact O-N 3.32Å; R302-S305 VanDerWaalsContact O-N 3.08Å; R302-S305 PolarHBondContact O-OG 3.02Å; S303-S305 PolarHBondContact O-N 3.27Å; S305-C307 VanDerWaalsContact C-N 3.28Å; S305-C307 PolarHBondContact O-N 3.19Å; S305-L308 PolarHBondContact O-N 3.46Å; S305-L308 WeakPolarHBondContact OG-CB 3.32Å; S305-L308 PolarHBondContact OG-N 3.24Å; S305-R309 PolarHBondContact O-N 3.29Å; S305-R309 VanDerWaalsContact O-N 3.17Å
306	R	81.1	Confident	83.2	Confident	216 Å²	216	93.1 Å²	93.1	82%	0.815	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-37.3	178.6	-60.6	-174.8	-159.1	176.7	5.8	111.6	N304 R309 F310	N304-R306 PolarHBondContact O-N 3.29Å; R306-R309 PolarHBondContact O-N 3.17Å; R306-F310 PolarHBondContact O-N 3.1Å
307	C	80.3	Confident	83.3	Confident	86 Å²	86	96.6 Å²	96.6	58%	0.581	45%	0.449	S	S	*	.	H	α-helix	trans	-62.5	-49.2	178.2	-175.5	0	0	0	0	111.6	S305 R309 F310 I311	S305-C307 VanDerWaalsContact C-N 3.28Å; S305-C307 PolarHBondContact O-N 3.19Å; C307-R309 VanDerWaalsContact C-N 3.34Å; C307-R309 PolarHBondContact O-N 3.39Å; C307-F310 WeakPolarHBondContact O-CB 3.4Å; C307-F310 PolarHBondContact O-N 2.69Å; C307-F310 VanDerWaalsContact O-N 3.15Å; C307-I311 WeakPolarHBondContact O-CG1 3.21Å; C307-I311 PolarHBondContact O-N 2.84Å
308	L	77.8	Confident	83.2	Confident	31 Å²	31	95.1 Å²	95.1	16%	0.162	45%	0.447	C	S	.	.	H	α-helix	trans	-66.5	-37.9	-179.9	-164.2	72.3	0	0	0	111.8	R302 S305 F310 I311 L312 F362	R302-L308 HydrophobicContact CG-CD2 4.15Å; S305-L308 PolarHBondContact O-N 3.46Å; S305-L308 WeakPolarHBondContact OG-CB 3.32Å; S305-L308 PolarHBondContact OG-N 3.24Å; L308-F310 VanDerWaalsContact C-N 3.29Å; L308-F310 PolarHBondContact O-N 2.83Å; L308-I311 PolarHBondContact O-N 2.8Å; L308-L312 HydrophobicContact CD2-CD1 4.29Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.3Å; L308-L312 WeakPolarHBondContact O-CB 3.5Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.21Å; L308-F362 HydrophobicContact CD1-CE1 3.96Å
309	R	78.9	Confident	83.4	Confident	132 Å²	132	90 Å²	90	50%	0.498	42%	0.423	S	S	.	.	H	α-helix	trans	-59.8	-40.1	172.9	-75.5	-172.2	-76.8	175.7	-12.3	112.4	S303 N304 S305 R306 C307 R313	S303-R309 WeakPolarHBondContact O-CG 3.19Å; N304-R309 PolarHBondContact O-NH2 2.8Å; S305-R309 PolarHBondContact O-N 3.29Å; S305-R309 VanDerWaalsContact O-N 3.17Å; R306-R309 PolarHBondContact O-N 3.17Å; C307-R309 VanDerWaalsContact C-N 3.34Å; C307-R309 PolarHBondContact O-N 3.39Å; R309-R313 VanDerWaalsContact O-CB 3.29Å; R309-R313 WeakPolarHBondContact O-CB 3.37Å; R309-R313 PolarHBondContact O-N 3.32Å
310	F	81.2	Confident	83.9	Confident	126 Å²	126	88.2 Å²	88.2	55%	0.553	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-47.6	173.9	-178.2	-89.3	0	0	0	111.6	R306 C307 L308 L312 R313 Y314	R306-F310 PolarHBondContact O-N 3.1Å; C307-F310 WeakPolarHBondContact O-CB 3.4Å; C307-F310 PolarHBondContact O-N 2.69Å; C307-F310 VanDerWaalsContact O-N 3.15Å; L308-F310 VanDerWaalsContact C-N 3.29Å; L308-F310 PolarHBondContact O-N 2.83Å; F310-L312 PolarHBondContact O-N 3.27Å; F310-R313 WeakPolarHBondContact O-CB 3.32Å; F310-R313 PolarHBondContact O-N 2.91Å; F310-Y314 HydrophobicContact CD1-CD2 4.26Å; F310-Y314 AromaticContact CD2-CD2 4Å; F310-Y314 HydrophobicContact CD2-CD2 4Å; F310-Y314 AromaticContact CD2-CE2 3.81Å; F310-Y314 HydrophobicContact CD2-CE2 3.81Å; F310-Y314 AromaticContact CE1-CD2 3.98Å; F310-Y314 HydrophobicContact CE1-CD2 3.98Å; F310-Y314 HydrophobicContact CE1-CE2 4.48Å; F310-Y314 AromaticContact CE2-CD2 3.72Å; F310-Y314 HydrophobicContact CE2-CD2 3.72Å; F310-Y314 AromaticContact CE2-CE2 3.39Å; F310-Y314 HydrophobicContact CE2-CE2 3.39Å; F310-Y314 HydrophobicContact CG-CD2 4.26Å; F310-Y314 AromaticContact CZ-CD2 3.7Å; F310-Y314 HydrophobicContact CZ-CD2 3.7Å; F310-Y314 AromaticContact CZ-CE2 3.77Å; F310-Y314 HydrophobicContact CZ-CE2 3.77Å; F310-Y314 WeakPolarHBondContact O-CD2 3.42Å; F310-Y314 PolarHBondContact O-N 2.85Å; F310-Y314 VanDerWaalsContact O-N 3.11Å
311	I	80.6	Confident	84.3	Confident	33 Å²	33	89.3 Å²	89.3	17%	0.169	43%	0.425	C	S	.	.	H	α-helix	trans	-59.4	-46.1	177.4	-68.1	169.8	0	0	0	111	C307 L308 R313 Y314 K315 V318 F362	C307-I311 WeakPolarHBondContact O-CG1 3.21Å; C307-I311 PolarHBondContact O-N 2.84Å; L308-I311 PolarHBondContact O-N 2.8Å; I311-R313 VanDerWaalsContact C-N 3.35Å; I311-R313 PolarHBondContact O-N 3.48Å; I311-Y314 CarbonylContact O-C 3.49Å; I311-Y314 VanDerWaalsContact O-C 3.31Å; I311-Y314 PolarHBondContact O-N 2.88Å; I311-K315 VanDerWaalsContact O-CA 3.23Å; I311-K315 WeakPolarHBondContact O-CA 3.45Å; I311-K315 PolarHBondContact O-N 3.26Å; I311-V318 HydrophobicContact CG2-CG1 4.47Å; I311-F362 HydrophobicContact CD1-CE1 4.29Å; I311-F362 HydrophobicContact CD1-CZ 4.17Å; I311-F362 HydrophobicContact CG2-CE1 4Å; I311-F362 HydrophobicContact CG2-CZ 4.5Å
312	L	78.9	Confident	84.8	Confident	68 Å²	68	87 Å²	87	36%	0.356	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-37.6	178.8	-71.2	171	0	0	0	112.1	L308 F310 Y314 K315	L308-L312 HydrophobicContact CD2-CD1 4.29Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.3Å; L308-L312 WeakPolarHBondContact O-CB 3.5Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.21Å; F310-L312 PolarHBondContact O-N 3.27Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 2.9Å; L312-K315 WeakPolarHBondContact O-CB 3.27Å; L312-K315 WeakPolarHBondContact O-CG 3.29Å; L312-K315 PolarHBondContact O-N 3.3Å
313	R	85	Confident	85.5	Confident	196 Å²	196	81.4 Å²	81.4	74%	0.74	39%	0.391	S	S	*	.	H	α-helix	trans	-61.7	-39	175.4	-179.3	175.3	-180	161.7	1.6	112.1	R309 F310 I311	R309-R313 VanDerWaalsContact O-CB 3.29Å; R309-R313 WeakPolarHBondContact O-CB 3.37Å; R309-R313 PolarHBondContact O-N 3.32Å; F310-R313 WeakPolarHBondContact O-CB 3.32Å; F310-R313 PolarHBondContact O-N 2.91Å; I311-R313 VanDerWaalsContact C-N 3.35Å; I311-R313 PolarHBondContact O-N 3.48Å
314	Y	87.7	Confident	86.5	Confident	93 Å²	93	79.6 Å²	79.6	37%	0.365	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	25.8	179.5	-62.2	-73.2	0	0	0	112.6	F310 I311 L312 V316 L317 V318	F310-Y314 HydrophobicContact CD1-CD2 4.26Å; F310-Y314 AromaticContact CD2-CD2 4Å; F310-Y314 HydrophobicContact CD2-CD2 4Å; F310-Y314 AromaticContact CD2-CE2 3.81Å; F310-Y314 HydrophobicContact CD2-CE2 3.81Å; F310-Y314 AromaticContact CE1-CD2 3.98Å; F310-Y314 HydrophobicContact CE1-CD2 3.98Å; F310-Y314 HydrophobicContact CE1-CE2 4.48Å; F310-Y314 AromaticContact CE2-CD2 3.72Å; F310-Y314 HydrophobicContact CE2-CD2 3.72Å; F310-Y314 AromaticContact CE2-CE2 3.39Å; F310-Y314 HydrophobicContact CE2-CE2 3.39Å; F310-Y314 HydrophobicContact CG-CD2 4.26Å; F310-Y314 AromaticContact CZ-CD2 3.7Å; F310-Y314 HydrophobicContact CZ-CD2 3.7Å; F310-Y314 AromaticContact CZ-CE2 3.77Å; F310-Y314 HydrophobicContact CZ-CE2 3.77Å; F310-Y314 WeakPolarHBondContact O-CD2 3.42Å; F310-Y314 PolarHBondContact O-N 2.85Å; F310-Y314 VanDerWaalsContact O-N 3.11Å; I311-Y314 CarbonylContact O-C 3.49Å; I311-Y314 VanDerWaalsContact O-C 3.31Å; I311-Y314 PolarHBondContact O-N 2.88Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 2.9Å; Y314-V316 VanDerWaalsContact C-N 3.28Å; Y314-V316 PolarHBondContact O-N 2.91Å; Y314-V316 VanDerWaalsContact O-N 3.13Å; Y314-L317 PolarHBondContact O-N 3.02Å; Y314-V318 WeakPolarHBondContact O-CG2 3.5Å; Y314-V318 PolarHBondContact O-N 3.27Å
315	K	87.8	Confident	87.5	Confident	61 Å²	61	76.7 Å²	76.7	27%	0.265	37%	0.37	S	S	.	.	H	α-helix	trans	-53.1	-41.9	-169.5	63.5	-179.4	-179.1	175.4	0	113.9	I311 L312 Q319 D366 L370	I311-K315 VanDerWaalsContact O-CA 3.23Å; I311-K315 WeakPolarHBondContact O-CA 3.45Å; I311-K315 PolarHBondContact O-N 3.26Å; L312-K315 WeakPolarHBondContact O-CB 3.27Å; L312-K315 WeakPolarHBondContact O-CG 3.29Å; L312-K315 PolarHBondContact O-N 3.3Å; K315-Q319 VanDerWaalsContact O-CB 3.27Å; K315-Q319 WeakPolarHBondContact O-CB 3.43Å; K315-Q319 PolarHBondContact O-N 3.46Å; K315-D366 IonicContact NZ-OD2 3.77Å; K315-D366 PolarHBondContact NZ-OD2 3.42Å; K315-L370 HydrophobicContact CB-CD1 4.44Å; K315-L370 HydrophobicContact CD-CD1 3.92Å; K315-L370 HydrophobicContact CG-CD1 3.88Å
316	V	89.4	Confident	88.1	Confident	88 Å²	88	75.4 Å²	75.4	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-44.6	178.5	-179.8	0	0	0	0	111.4	Y314 F320 L370	Y314-V316 VanDerWaalsContact C-N 3.28Å; Y314-V316 PolarHBondContact O-N 2.91Å; Y314-V316 VanDerWaalsContact O-N 3.13Å; V316-F320 WeakPolarHBondContact O-CB 3.42Å; V316-F320 PolarHBondContact O-N 3.38Å; V316-L370 HydrophobicContact CG2-CD1 4.19Å; V316-L370 HydrophobicContact CG2-CD2 4.25Å
317	L	91.7	Very high	88.7	Confident	93 Å²	93	68.5 Å²	68.5	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-69.2	-45.7	179.9	178.8	64.9	0	0	0	111.3	Y314 Q319 F320 L321	Y314-L317 PolarHBondContact O-N 3.02Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 2.09Å; L317-F320 HydrophobicContact CD1-CD1 4.49Å; L317-F320 PolarHBondContact O-N 3.31Å; L317-L321 HydrophobicContact CD1-CD1 4.28Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.11Å; L317-L321 HydrophobicContact CG-CG 4.44Å; L317-L321 WeakPolarHBondContact O-CG 3.42Å; L317-L321 PolarHBondContact O-N 3.43Å
318	V	90.3	Very high	89.4	Confident	47 Å²	47	64.8 Å²	64.8	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-45.5	178.5	173.3	0	0	0	0	110.4	I311 Y314 L321 F322	I311-V318 HydrophobicContact CG2-CG1 4.47Å; Y314-V318 WeakPolarHBondContact O-CG2 3.5Å; Y314-V318 PolarHBondContact O-N 3.27Å; V318-L321 PolarHBondContact O-N 3.37Å; V318-F322 WeakPolarHBondContact O-CB 3.27Å; V318-F322 PolarHBondContact O-N 3.23Å
319	Q	91.3	Very high	90.2	Very high	6 Å²	6	66 Å²	66	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-41.7	178.8	-170.9	61.9	8.9	0	0	112.2	K315 L317 F322 C323 F367 L370 S374	K315-Q319 VanDerWaalsContact O-CB 3.27Å; K315-Q319 WeakPolarHBondContact O-CB 3.43Å; K315-Q319 PolarHBondContact O-N 3.46Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 2.09Å; Q319-F322 PolarHBondContact O-N 3.49Å; Q319-C323 WeakPolarHBondContact O-CB 3.32Å; Q319-C323 PolarHBondContact O-N 3.2Å; Q319-C323 PolarHBondContact O-SG 3.36Å; Q319-C323 VanDerWaalsContact O-SG 3.35Å; Q319-F367 HydrophobicContact CB-CE2 4.47Å; Q319-F367 HydrophobicContact CB-CZ 4.44Å; Q319-L370 HydrophobicContact CG-CB 4.39Å; Q319-S374 WeakPolarHBondContact CG-OG 3.41Å
320	F	94.2	Very high	90.9	Very high	55 Å²	55	62.3 Å²	62.3	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-47.2	174.2	169.2	-106	0	0	0	112.3	V316 L317 F322 C323 T324 M377 F381	V316-F320 WeakPolarHBondContact O-CB 3.42Å; V316-F320 PolarHBondContact O-N 3.38Å; L317-F320 HydrophobicContact CD1-CD1 4.49Å; L317-F320 PolarHBondContact O-N 3.31Å; F320-F322 VanDerWaalsContact C-N 3.35Å; F320-F322 PolarHBondContact O-N 3.18Å; F320-C323 PolarHBondContact O-N 3.41Å; F320-T324 WeakPolarHBondContact O-CB 3.34Å; F320-T324 PolarHBondContact O-N 2.85Å; F320-T324 PolarHBondContact O-OG1 2.95Å; F320-M377 HydrophobicContact CD2-CB 3.85Å; F320-M377 HydrophobicContact CE2-CB 3.88Å; F320-F381 HydrophobicContact CE2-CB 4.45Å; F320-F381 HydrophobicContact CZ-CB 4.3Å; F320-F381 HydrophobicContact CZ-CD2 4.43Å; F320-F381 HydrophobicContact CZ-CG 4.47Å
321	L	95.2	Very high	91.4	Very high	98 Å²	98	56.6 Å²	56.6	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.8	-69.5	175.7	0	0	0	111.6	L317 V318 T324 A325	L317-L321 HydrophobicContact CD1-CD1 4.28Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.11Å; L317-L321 HydrophobicContact CG-CG 4.44Å; L317-L321 WeakPolarHBondContact O-CG 3.42Å; L317-L321 PolarHBondContact O-N 3.43Å; V318-L321 PolarHBondContact O-N 3.37Å; L321-T324 PolarHBondContact O-N 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.27Å; L321-A325 PolarHBondContact O-N 2.74Å
322	F	93.4	Very high	92	Very high	60 Å²	60	57.7 Å²	57.7	26%	0.263	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-53.2	175.4	178.8	-102.5	0	0	0	111.3	V318 Q319 F320 T324 A325 I326 V354 A358	V318-F322 WeakPolarHBondContact O-CB 3.27Å; V318-F322 PolarHBondContact O-N 3.23Å; Q319-F322 PolarHBondContact O-N 3.49Å; F320-F322 VanDerWaalsContact C-N 3.35Å; F320-F322 PolarHBondContact O-N 3.18Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.23Å; F322-A325 PolarHBondContact O-N 2.97Å; F322-I326 HydrophobicContact CD1-CG1 4.31Å; F322-I326 HydrophobicContact CD2-CG1 4.48Å; F322-I326 HydrophobicContact CE1-CD1 4.49Å; F322-I326 HydrophobicContact CE1-CG1 3.94Å; F322-I326 HydrophobicContact CE2-CD1 4.05Å; F322-I326 HydrophobicContact CE2-CG1 4.13Å; F322-I326 HydrophobicContact CZ-CD1 3.91Å; F322-I326 HydrophobicContact CZ-CG1 3.84Å; F322-I326 WeakPolarHBondContact O-CG1 3.42Å; F322-I326 PolarHBondContact O-N 3.14Å; F322-V354 HydrophobicContact CE2-CG1 4.41Å; F322-A358 HydrophobicContact CE1-CB 4.46Å; F322-A358 HydrophobicContact CE2-CB 4.03Å; F322-A358 HydrophobicContact CZ-CB 3.71Å
323	C	95.8	Very high	92.7	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-40.5	176.6	-70.7	0	0	0	0	112.2	Q319 F320 I326 F327 S375 A378	Q319-C323 WeakPolarHBondContact O-CB 3.32Å; Q319-C323 PolarHBondContact O-N 3.2Å; Q319-C323 PolarHBondContact O-SG 3.36Å; Q319-C323 VanDerWaalsContact O-SG 3.35Å; F320-C323 PolarHBondContact O-N 3.41Å; C323-I326 PolarHBondContact O-N 2.94Å; C323-F327 WeakPolarHBondContact O-CD2 3.25Å; C323-F327 PolarHBondContact O-N 3.31Å; C323-S375 PolarHBondContact SG-OG 3.3Å; C323-A378 HydrophobicContact CB-CB 3.63Å
324	T	97	Very high	92.9	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.092	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-45.8	178.1	-58	0	0	0	0	111.5	F320 L321 F322 F327 G328 A378 F381 W382	F320-T324 WeakPolarHBondContact O-CB 3.34Å; F320-T324 PolarHBondContact O-N 2.85Å; F320-T324 PolarHBondContact O-OG1 2.95Å; L321-T324 PolarHBondContact O-N 3.3Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.23Å; T324-F327 PolarHBondContact O-N 2.96Å; T324-G328 PolarHBondContact O-N 2.97Å; T324-A378 WeakPolarHBondContact OG1-CB 2.97Å; T324-F381 HydrophobicContact CG2-CD1 3.41Å; T324-F381 VanDerWaalsContact CG2-CD1 3.41Å; T324-F381 HydrophobicContact CG2-CE1 3.54Å; T324-F381 HydrophobicContact CG2-CG 4.2Å; T324-F381 HydrophobicContact CG2-CZ 4.4Å; T324-W382 PolarHBondContact O-NE1 2.98Å
325	A	96.6	Very high	93	Very high	54 Å²	54	48.2 Å²	48.2	45%	0.446	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-44.8	176.6	0	0	0	0	0	111.7	L321 F322 G328 C329	L321-A325 WeakPolarHBondContact O-CB 3.27Å; L321-A325 PolarHBondContact O-N 2.74Å; F322-A325 PolarHBondContact O-N 2.97Å; A325-G328 PolarHBondContact O-N 3.23Å; A325-C329 WeakPolarHBondContact O-CB 3.47Å; A325-C329 PolarHBondContact O-N 3.37Å; A325-C329 PolarHBondContact O-SG 3.37Å
326	I	95.2	Very high	93.1	Very high	20 Å²	20	48.6 Å²	48.6	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-50.3	178.1	-65.6	-60.9	0	0	0	111.3	F322 C323 G328 C329 I330 M351 I355	F322-I326 HydrophobicContact CD1-CG1 4.31Å; F322-I326 HydrophobicContact CD2-CG1 4.48Å; F322-I326 HydrophobicContact CE1-CD1 4.49Å; F322-I326 HydrophobicContact CE1-CG1 3.94Å; F322-I326 HydrophobicContact CE2-CD1 4.05Å; F322-I326 HydrophobicContact CE2-CG1 4.13Å; F322-I326 HydrophobicContact CZ-CD1 3.91Å; F322-I326 HydrophobicContact CZ-CG1 3.84Å; F322-I326 WeakPolarHBondContact O-CG1 3.42Å; F322-I326 PolarHBondContact O-N 3.14Å; C323-I326 PolarHBondContact O-N 2.94Å; I326-G328 VanDerWaalsContact C-N 3.33Å; I326-G328 PolarHBondContact O-N 3.27Å; I326-C329 PolarHBondContact O-N 2.85Å; I326-I330 HydrophobicContact CG2-CD1 3.74Å; I326-I330 HydrophobicContact CG2-CG1 4.48Å; I326-I330 VanDerWaalsContact O-CG1 3.31Å; I326-I330 WeakPolarHBondContact O-CG1 3.48Å; I326-I330 PolarHBondContact O-N 3.33Å; I326-M351 HydrophobicContact CD1-CE 3.32Å; I326-I355 HydrophobicContact CD1-CD1 4.4Å; I326-I355 HydrophobicContact CD1-CG1 3.88Å; I326-I355 HydrophobicContact CG1-CG1 4.38Å; I326-I355 HydrophobicContact CG2-CD1 3.95Å; I326-I355 HydrophobicContact CG2-CG1 4.45Å
327	F	94.4	Very high	92.9	Very high	70 Å²	70	52.6 Å²	52.6	31%	0.307	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-42.6	178.2	-80.4	-53	0	0	0	112.3	C323 T324 I330 G331 S375 A378	C323-F327 WeakPolarHBondContact O-CD2 3.25Å; C323-F327 PolarHBondContact O-N 3.31Å; T324-F327 PolarHBondContact O-N 2.96Å; F327-I330 PolarHBondContact O-N 2.93Å; F327-G331 PolarHBondContact O-N 3.21Å; F327-S375 WeakPolarHBondContact CE2-O 3.49Å; F327-A378 HydrophobicContact CD2-CB 3.74Å; F327-A378 HydrophobicContact CE2-CB 4.08Å
328	G	94.5	Very high	92.8	Very high	9 Å²	9	49.8 Å²	49.8	9%	0.093	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-46.3	177.5	0	0	0	0	0	112.4	T324 A325 I326 G331 A332	T324-G328 PolarHBondContact O-N 2.97Å; A325-G328 PolarHBondContact O-N 3.23Å; I326-G328 VanDerWaalsContact C-N 3.33Å; I326-G328 PolarHBondContact O-N 3.27Å; G328-G331 PolarHBondContact O-N 3.38Å; G328-A332 VanDerWaalsContact O-CB 3.27Å; G328-A332 WeakPolarHBondContact O-CB 3.21Å; G328-A332 PolarHBondContact O-N 2.99Å
329	C	95.3	Very high	92.5	Very high	57 Å²	57	56.5 Å²	56.5	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-44.6	177	-71.2	0	0	0	0	112	A325 I326 A332 I333 M351	A325-C329 WeakPolarHBondContact O-CB 3.47Å; A325-C329 PolarHBondContact O-N 3.37Å; A325-C329 PolarHBondContact O-SG 3.37Å; I326-C329 PolarHBondContact O-N 2.85Å; C329-A332 PolarHBondContact O-N 3.5Å; C329-I333 WeakPolarHBondContact O-CD1 3.32Å; C329-I333 WeakPolarHBondContact O-CG1 3.26Å; C329-I333 PolarHBondContact O-N 3.05Å; C329-M351 HydrophobicContact CB-CE 3.64Å; C329-M351 HydrophobicContact CB-SD 3.92Å
330	I	93.6	Very high	92.6	Very high	54 Å²	54	58.7 Å²	58.7	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-48.5	177.8	-69.1	168.7	0	0	0	110.3	I326 F327 A332 I333 F334 L348	I326-I330 HydrophobicContact CG2-CD1 3.74Å; I326-I330 HydrophobicContact CG2-CG1 4.48Å; I326-I330 VanDerWaalsContact O-CG1 3.31Å; I326-I330 WeakPolarHBondContact O-CG1 3.48Å; I326-I330 PolarHBondContact O-N 3.33Å; F327-I330 PolarHBondContact O-N 2.93Å; I330-A332 PolarHBondContact O-N 3.18Å; I330-I333 PolarHBondContact O-N 3.09Å; I330-F334 HydrophobicContact CG2-CD2 4Å; I330-F334 HydrophobicContact CG2-CE2 3.8Å; I330-F334 VanDerWaalsContact O-CD2 3.24Å; I330-F334 WeakPolarHBondContact O-CD2 3.48Å; I330-F334 PolarHBondContact O-N 2.97Å; I330-L348 HydrophobicContact CG1-CD2 4.43Å; I330-L348 HydrophobicContact CG2-CD2 4.29Å
331	G	91.8	Very high	92.3	Very high	6 Å²	6	64.3 Å²	64.3	6%	0.062	34%	0.343	C	S	.	.	H	α-helix	trans	-60.5	-44.3	177.3	0	0	0	0	0	112.3	F327 G328 I333 F334 D335	F327-G331 PolarHBondContact O-N 3.21Å; G328-G331 PolarHBondContact O-N 3.38Å; G331-I333 PolarHBondContact O-N 3.47Å; G331-F334 PolarHBondContact O-N 3.08Å; G331-D335 WeakPolarHBondContact O-CB 3.18Å; G331-D335 PolarHBondContact O-N 2.71Å
332	A	92.3	Very high	92.2	Very high	55 Å²	55	65.5 Å²	65.5	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-34.9	178.1	0	0	0	0	0	113.2	G328 C329 I330 F334 D335 M336	G328-A332 VanDerWaalsContact O-CB 3.27Å; G328-A332 WeakPolarHBondContact O-CB 3.21Å; G328-A332 PolarHBondContact O-N 2.99Å; C329-A332 PolarHBondContact O-N 3.5Å; I330-A332 PolarHBondContact O-N 3.18Å; A332-F334 VanDerWaalsContact C-N 3.33Å; A332-D335 PolarHBondContact O-N 3.34Å; A332-M336 WeakPolarHBondContact O-CB 3.44Å; A332-M336 PolarHBondContact O-N 2.82Å
333	I	93.6	Very high	92.2	Very high	14 Å²	14	65.9 Å²	65.9	7%	0.072	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-41.7	175	-70	160.4	0	0	0	110.5	C329 I330 G331 K344 L347 L348 M351	C329-I333 WeakPolarHBondContact O-CD1 3.32Å; C329-I333 WeakPolarHBondContact O-CG1 3.26Å; C329-I333 PolarHBondContact O-N 3.05Å; I330-I333 PolarHBondContact O-N 3.09Å; G331-I333 PolarHBondContact O-N 3.47Å; I333-K344 HydrophobicContact CG2-CB 4.11Å; I333-K344 HydrophobicContact CG2-CG 4.33Å; I333-K344 WeakPolarHBondContact O-CE 3.39Å; I333-L347 HydrophobicContact CD1-CB 3.87Å; I333-L347 HydrophobicContact CG1-CB 4.05Å; I333-L347 HydrophobicContact CG1-CD1 4.43Å; I333-L347 HydrophobicContact CG2-CB 4.14Å; I333-L348 HydrophobicContact CD1-CD2 4.21Å; I333-L348 HydrophobicContact CG2-CD2 4.28Å; I333-L348 HydrophobicContact CG2-CG 4.02Å; I333-M351 HydrophobicContact CD1-CG 3.74Å
334	F	89	Confident	92.1	Very high	78 Å²	78	66.7 Å²	66.7	34%	0.342	36%	0.357	S	S	.	.	H	α-helix	trans	-67.7	-42.5	176.3	-78	-64.2	0	0	0	112.1	I330 G331 A332 M336 K344 L348 P542	I330-F334 HydrophobicContact CG2-CD2 4Å; I330-F334 HydrophobicContact CG2-CE2 3.8Å; I330-F334 VanDerWaalsContact O-CD2 3.24Å; I330-F334 WeakPolarHBondContact O-CD2 3.48Å; I330-F334 PolarHBondContact O-N 2.97Å; G331-F334 PolarHBondContact O-N 3.08Å; A332-F334 VanDerWaalsContact C-N 3.33Å; F334-M336 VanDerWaalsContact C-N 3.3Å; F334-M336 PolarHBondContact O-N 3.18Å; F334-K344 PolarHBondContact O-NZ 3.16Å; F334-L348 HydrophobicContact CE1-CD1 4.21Å; F334-L348 HydrophobicContact CE2-CD1 4.38Å; F334-L348 HydrophobicContact CE2-CD2 4.3Å; F334-L348 HydrophobicContact CZ-CD1 3.81Å; F334-P542 HydrophobicContact CB-CB 4.13Å
335	D	90.2	Very high	91.9	Very high	67 Å²	67	69.2 Å²	69.2	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-76.1	-13.8	-177.3	-155.6	62.5	0	0	0	113.9	G331 A332 N337 W543	G331-D335 WeakPolarHBondContact O-CB 3.18Å; G331-D335 PolarHBondContact O-N 2.71Å; A332-D335 PolarHBondContact O-N 3.34Å; D335-N337 PolarHBondContact O-N 2.81Å; D335-W543 HydrophobicContact CB-CB 4.2Å; D335-W543 WeakPolarHBondContact OD1-CB 3.45Å; D335-W543 PolarHBondContact OD1-N 2.88Å
336	M	90.3	Very high	91.9	Very high	68 Å²	68	70.8 Å²	70.8	34%	0.335	38%	0.375	S	S	.	.	S	Bend	trans	-56.7	132.4	178.8	-168.7	-169.2	-34.8	0	0	112.1	A332 F334 S338 L343 K344 L347	A332-M336 WeakPolarHBondContact O-CB 3.44Å; A332-M336 PolarHBondContact O-N 2.82Å; F334-M336 VanDerWaalsContact C-N 3.3Å; F334-M336 PolarHBondContact O-N 3.18Å; M336-S338 PolarHBondContact O-N 2.81Å; M336-L343 HydrophobicContact SD-CD2 4.35Å; M336-K344 WeakPolarHBondContact O-CE 3.34Å; M336-K344 PolarHBondContact O-NZ 2.88Å; M336-L347 HydrophobicContact CE-CD1 3.51Å
337	N	86.4	Confident	91.9	Very high	172 Å²	172	72.5 Å²	72.5	92%	0.92	38%	0.384	S	S	*	.	S	Bend	trans	-73.2	64.9	176.2	-167.2	22.4	0	0	0	111.9	D335	D335-N337 PolarHBondContact O-N 2.81Å
338	S	88.3	Confident	92	Very high	34 Å²	34	71.3 Å²	71.3	24%	0.238	38%	0.38	C	S	.	.			trans	-136.8	128.2	174.6	179.4	0	0	0	0	109.1	M336 S340 K344	M336-S338 PolarHBondContact O-N 2.81Å; S338-S340 PolarHBondContact O-N 3.25Å; S338-S340 PolarHBondContact OG-N 3.32Å; S338-K344 WeakPolarHBondContact O-CE 3.36Å; S338-K344 PolarHBondContact O-NZ 3.45Å
339	E	84.6	Confident	92	Very high	188 Å²	188	74 Å²	74	88%	0.879	40%	0.401	S	S	*	.			trans	-76.7	-10.2	176	-61	-172.7	167.6	0	0	112.4	W341	E339-W341 PolarHBondContact O-N 2.9Å
340	S	92.1	Very high	92.1	Very high	52 Å²	52	74.7 Å²	74.7	36%	0.364	41%	0.406	S	S	.	.			trans	-76.8	96.4	-178.5	-177.3	0	0	0	0	111.8	S338 L342 L343 K344	S338-S340 PolarHBondContact O-N 3.25Å; S338-S340 PolarHBondContact OG-N 3.32Å; S340-L342 PolarHBondContact O-N 2.83Å; S340-L343 PolarHBondContact O-N 3.36Å; S340-L343 VanDerWaalsContact O-N 3.16Å; S340-L343 PolarHBondContact OG-N 3.08Å; S340-K344 PolarHBondContact O-N 3.24Å
341	W	88.6	Confident	92.1	Very high	173 Å²	173	73.5 Å²	73.5	66%	0.655	40%	0.4	S	S	*	.	H	α-helix	trans	-58.7	-28.9	169.3	-74.1	98.2	0	0	0	112.9	E339 S345	E339-W341 PolarHBondContact O-N 2.9Å; W341-S345 VanDerWaalsContact O-CB 3.28Å; W341-S345 WeakPolarHBondContact O-CB 3.36Å; W341-S345 PolarHBondContact O-N 3.26Å; W341-S345 PolarHBondContact O-OG 3.38Å
342	L	93.8	Very high	92.3	Very high	123 Å²	123	77 Å²	77	64%	0.644	42%	0.42	S	S	*	.	H	α-helix	trans	-64.1	-46.8	174.6	-178.4	64.6	0	0	0	111.1	S340 S345 I346	S340-L342 PolarHBondContact O-N 2.83Å; L342-S345 PolarHBondContact O-N 3.43Å; L342-I346 HydrophobicContact CD1-CD1 4.15Å; L342-I346 HydrophobicContact CD1-CG1 4.45Å; L342-I346 HydrophobicContact CG-CD1 3.94Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.31Å; L342-I346 PolarHBondContact O-N 3.14Å
343	L	93.6	Very high	92.4	Very high	69 Å²	69	76.2 Å²	76.2	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-48.1	177.5	178.1	62.9	0	0	0	111.2	M336 S340 S345 I346 L347	M336-L343 HydrophobicContact SD-CD2 4.35Å; S340-L343 PolarHBondContact O-N 3.36Å; S340-L343 VanDerWaalsContact O-N 3.16Å; S340-L343 PolarHBondContact OG-N 3.08Å; L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 2.84Å; L343-I346 PolarHBondContact O-N 2.88Å; L343-L347 HydrophobicContact CD1-CD1 4.12Å; L343-L347 HydrophobicContact CD1-CG 4.21Å; L343-L347 HydrophobicContact CG-CD1 4.04Å; L343-L347 WeakPolarHBondContact O-CG 3.3Å; L343-L347 PolarHBondContact O-N 3.5Å
344	K	92.9	Very high	92.3	Very high	23 Å²	23	78.9 Å²	78.9	10%	0.1	43%	0.434	C	S	.	.	H	α-helix	trans	-57.5	-42.8	177	-66.7	-173.1	176.8	-172.6	0	111.3	I333 F334 M336 S338 S340 L347 L348	I333-K344 HydrophobicContact CG2-CB 4.11Å; I333-K344 HydrophobicContact CG2-CG 4.33Å; I333-K344 WeakPolarHBondContact O-CE 3.39Å; F334-K344 PolarHBondContact O-NZ 3.16Å; M336-K344 WeakPolarHBondContact O-CE 3.34Å; M336-K344 PolarHBondContact O-NZ 2.88Å; S338-K344 WeakPolarHBondContact O-CE 3.36Å; S338-K344 PolarHBondContact O-NZ 3.45Å; S340-K344 PolarHBondContact O-N 3.24Å; K344-L347 PolarHBondContact O-N 3.4Å; K344-L348 WeakPolarHBondContact O-CB 3.28Å; K344-L348 VanDerWaalsContact O-CG 3.29Å; K344-L348 WeakPolarHBondContact O-CG 3.39Å; K344-L348 PolarHBondContact O-N 2.93Å
345	S	93.3	Very high	92.4	Very high	67 Å²	67	78.3 Å²	78.3	47%	0.469	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-43	177.7	-58.9	0	0	0	0	112.7	W341 L342 L343 L348 A349	W341-S345 VanDerWaalsContact O-CB 3.28Å; W341-S345 WeakPolarHBondContact O-CB 3.36Å; W341-S345 PolarHBondContact O-N 3.26Å; W341-S345 PolarHBondContact O-OG 3.38Å; L342-S345 PolarHBondContact O-N 3.43Å; L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 2.84Å; S345-L348 PolarHBondContact O-N 3.32Å; S345-A349 WeakPolarHBondContact O-CB 3.37Å; S345-A349 PolarHBondContact O-N 2.94Å
346	I	96.4	Very high	92.4	Very high	88 Å²	88	79 Å²	79	45%	0.451	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-45.8	176.4	-70.4	167.1	0	0	0	110.4	L342 L343 L348 A349 C350	L342-I346 HydrophobicContact CD1-CD1 4.15Å; L342-I346 HydrophobicContact CD1-CG1 4.45Å; L342-I346 HydrophobicContact CG-CD1 3.94Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.31Å; L342-I346 PolarHBondContact O-N 3.14Å; L343-I346 PolarHBondContact O-N 2.88Å; I346-L348 PolarHBondContact O-N 2.96Å; I346-A349 WeakPolarHBondContact O-CB 3.3Å; I346-A349 PolarHBondContact O-N 2.92Å; I346-A349 VanDerWaalsContact O-N 3.17Å; I346-C350 PolarHBondContact O-N 2.91Å; I346-C350 PolarHBondContact O-SG 2.97Å; I346-C350 VanDerWaalsContact O-SG 3.33Å
347	L	95.9	Very high	92.4	Very high	56 Å²	56	80.8 Å²	80.8	29%	0.293	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-40.4	178.8	-68.1	172.6	0	0	0	112.1	I333 M336 L343 K344 A349 C350 M351	I333-L347 HydrophobicContact CD1-CB 3.87Å; I333-L347 HydrophobicContact CG1-CB 4.05Å; I333-L347 HydrophobicContact CG1-CD1 4.43Å; I333-L347 HydrophobicContact CG2-CB 4.14Å; M336-L347 HydrophobicContact CE-CD1 3.51Å; L343-L347 HydrophobicContact CD1-CD1 4.12Å; L343-L347 HydrophobicContact CD1-CG 4.21Å; L343-L347 HydrophobicContact CG-CD1 4.04Å; L343-L347 WeakPolarHBondContact O-CG 3.3Å; L343-L347 PolarHBondContact O-N 3.5Å; K344-L347 PolarHBondContact O-N 3.4Å; L347-A349 VanDerWaalsContact C-N 3.34Å; L347-C350 WeakPolarHBondContact O-CB 3.14Å; L347-C350 PolarHBondContact O-N 3.34Å; L347-M351 WeakPolarHBondContact O-CG 3.4Å; L347-M351 PolarHBondContact O-N 3.23Å
348	L	94.8	Very high	92.3	Very high	45 Å²	45	73.7 Å²	73.7	24%	0.236	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-40.7	172.7	-71.8	170.4	0	0	0	111.7	I330 I333 F334 K344 S345 I346 C350 M351 V352	I330-L348 HydrophobicContact CG1-CD2 4.43Å; I330-L348 HydrophobicContact CG2-CD2 4.29Å; I333-L348 HydrophobicContact CD1-CD2 4.21Å; I333-L348 HydrophobicContact CG2-CD2 4.28Å; I333-L348 HydrophobicContact CG2-CG 4.02Å; F334-L348 HydrophobicContact CE1-CD1 4.21Å; F334-L348 HydrophobicContact CE2-CD1 4.38Å; F334-L348 HydrophobicContact CE2-CD2 4.3Å; F334-L348 HydrophobicContact CZ-CD1 3.81Å; K344-L348 WeakPolarHBondContact O-CB 3.28Å; K344-L348 VanDerWaalsContact O-CG 3.29Å; K344-L348 WeakPolarHBondContact O-CG 3.39Å; K344-L348 PolarHBondContact O-N 2.93Å; S345-L348 PolarHBondContact O-N 3.32Å; I346-L348 PolarHBondContact O-N 2.96Å; L348-C350 VanDerWaalsContact C-N 3.33Å; L348-C350 PolarHBondContact O-N 3.33Å; L348-M351 WeakPolarHBondContact O-CB 3.43Å; L348-M351 PolarHBondContact O-N 3Å; L348-V352 WeakPolarHBondContact O-CG2 3.35Å; L348-V352 PolarHBondContact O-N 2.91Å
349	A	95.9	Very high	92.1	Very high	64 Å²	64	74.8 Å²	74.8	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-38.7	174.4	0	0	0	0	0	112	S345 I346 L347 V352 G353	S345-A349 WeakPolarHBondContact O-CB 3.37Å; S345-A349 PolarHBondContact O-N 2.94Å; I346-A349 WeakPolarHBondContact O-CB 3.3Å; I346-A349 PolarHBondContact O-N 2.92Å; I346-A349 VanDerWaalsContact O-N 3.17Å; L347-A349 VanDerWaalsContact C-N 3.34Å; A349-V352 PolarHBondContact O-N 2.75Å; A349-G353 PolarHBondContact O-N 3.45Å
350	C	96.1	Very high	92	Very high	73 Å²	73	75.2 Å²	75.2	49%	0.493	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-42.7	171.9	-67.8	0	0	0	0	111.7	I346 L347 L348 V352 G353 V354	I346-C350 PolarHBondContact O-N 2.91Å; I346-C350 PolarHBondContact O-SG 2.97Å; I346-C350 VanDerWaalsContact O-SG 3.33Å; L347-C350 WeakPolarHBondContact O-CB 3.14Å; L347-C350 PolarHBondContact O-N 3.34Å; L348-C350 VanDerWaalsContact C-N 3.33Å; L348-C350 PolarHBondContact O-N 3.33Å; C350-V352 PolarHBondContact O-N 3.37Å; C350-G353 CarbonylContact O-C 3.6Å; C350-G353 WeakPolarHBondContact O-CA 3.38Å; C350-G353 PolarHBondContact O-N 3.31Å; C350-G353 VanDerWaalsContact O-N 3.09Å; C350-V354 WeakPolarHBondContact O-CG2 3.36Å; C350-V354 PolarHBondContact O-N 2.82Å
351	M	94.8	Very high	91.4	Very high	28 Å²	28	76.6 Å²	76.6	14%	0.138	42%	0.418	C	S	.	.	H	α-helix	trans	-61.6	-42.4	175.7	-68.1	-54.1	-59.1	0	0	112	I326 C329 I333 L347 L348 G353 V354 I355	I326-M351 HydrophobicContact CD1-CE 3.32Å; C329-M351 HydrophobicContact CB-CE 3.64Å; C329-M351 HydrophobicContact CB-SD 3.92Å; I333-M351 HydrophobicContact CD1-CG 3.74Å; L347-M351 WeakPolarHBondContact O-CG 3.4Å; L347-M351 PolarHBondContact O-N 3.23Å; L348-M351 WeakPolarHBondContact O-CB 3.43Å; L348-M351 PolarHBondContact O-N 3Å; M351-G353 VanDerWaalsContact C-N 3.28Å; M351-G353 PolarHBondContact O-N 3.32Å; M351-V354 PolarHBondContact O-N 3.42Å; M351-I355 VanDerWaalsContact O-CG1 3.32Å; M351-I355 WeakPolarHBondContact O-CG1 3.47Å; M351-I355 PolarHBondContact O-N 2.74Å
352	V	94.7	Very high	90.8	Very high	80 Å²	80	71.2 Å²	71.2	49%	0.485	40%	0.399	S	S	.	.	H	α-helix	trans	-60.3	-40.3	172.6	173.3	0	0	0	0	110.9	L348 A349 C350 I355 N356	L348-V352 WeakPolarHBondContact O-CG2 3.35Å; L348-V352 PolarHBondContact O-N 2.91Å; A349-V352 PolarHBondContact O-N 2.75Å; C350-V352 PolarHBondContact O-N 3.37Å; V352-I355 PolarHBondContact O-N 3.21Å; V352-N356 WeakPolarHBondContact O-CB 3.34Å; V352-N356 PolarHBondContact O-N 2.98Å; V352-N356 PolarHBondContact O-ND2 2.96Å
353	G	94.5	Very high	89.5	Confident	39 Å²	39	68 Å²	68	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-58.1	-45.5	172.3	0	0	0	0	0	113.2	A349 C350 M351 N356 L357	A349-G353 PolarHBondContact O-N 3.45Å; C350-G353 CarbonylContact O-C 3.6Å; C350-G353 WeakPolarHBondContact O-CA 3.38Å; C350-G353 PolarHBondContact O-N 3.31Å; C350-G353 VanDerWaalsContact O-N 3.09Å; M351-G353 VanDerWaalsContact C-N 3.28Å; M351-G353 PolarHBondContact O-N 3.32Å; G353-N356 PolarHBondContact O-N 2.94Å; G353-L357 WeakPolarHBondContact O-CB 3.49Å; G353-L357 PolarHBondContact O-N 2.88Å
354	V	92.8	Very high	88.6	Confident	70 Å²	70	68 Å²	68	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-45.3	176.3	172.4	0	0	0	0	111.3	F322 C350 M351 N356 L357 A358	F322-V354 HydrophobicContact CE2-CG1 4.41Å; C350-V354 WeakPolarHBondContact O-CG2 3.36Å; C350-V354 PolarHBondContact O-N 2.82Å; M351-V354 PolarHBondContact O-N 3.42Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.49Å; V354-L357 PolarHBondContact O-N 3.06Å; V354-A358 WeakPolarHBondContact O-CB 3.33Å; V354-A358 PolarHBondContact O-N 3.32Å
355	I	90.6	Very high	87.8	Confident	65 Å²	65	71.5 Å²	71.5	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-45.6	177.4	-66.6	164.9	0	0	0	110.5	I326 M351 V352 A358 S359	I326-I355 HydrophobicContact CD1-CD1 4.4Å; I326-I355 HydrophobicContact CD1-CG1 3.88Å; I326-I355 HydrophobicContact CG1-CG1 4.38Å; I326-I355 HydrophobicContact CG2-CD1 3.95Å; I326-I355 HydrophobicContact CG2-CG1 4.45Å; M351-I355 VanDerWaalsContact O-CG1 3.32Å; M351-I355 WeakPolarHBondContact O-CG1 3.47Å; M351-I355 PolarHBondContact O-N 2.74Å; V352-I355 PolarHBondContact O-N 3.21Å; I355-A358 PolarHBondContact O-N 3Å; I355-S359 WeakPolarHBondContact O-CB 3.36Å; I355-S359 PolarHBondContact O-N 2.83Å; I355-S359 PolarHBondContact O-OG 3.49Å
356	N	90.6	Very high	87.1	Confident	81 Å²	81	72.3 Å²	72.3	43%	0.433	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-35.8	178.3	-77.5	-30.6	0	0	0	112.9	V352 G353 V354 S359 R360	V352-N356 WeakPolarHBondContact O-CB 3.34Å; V352-N356 PolarHBondContact O-N 2.98Å; V352-N356 PolarHBondContact O-ND2 2.96Å; G353-N356 PolarHBondContact O-N 2.94Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.49Å; N356-S359 WeakPolarHBondContact CA-OG 3.49Å; N356-S359 PolarHBondContact O-OG 3.09Å; N356-R360 WeakPolarHBondContact O-CB 3.39Å; N356-R360 VanDerWaalsContact O-CG 3.23Å; N356-R360 WeakPolarHBondContact O-CG 3.29Å; N356-R360 PolarHBondContact O-N 2.98Å
357	L	89.7	Confident	86.4	Confident	106 Å²	106	69.3 Å²	69.3	56%	0.555	39%	0.394	S	S	*	.	H	α-helix	trans	-68.6	-42.6	175	-178.3	61.2	0	0	0	111	G353 V354 R360 N361	G353-L357 WeakPolarHBondContact O-CB 3.49Å; G353-L357 PolarHBondContact O-N 2.88Å; V354-L357 PolarHBondContact O-N 3.06Å; L357-R360 PolarHBondContact O-N 3.47Å; L357-N361 PolarHBondContact O-N 2.91Å; L357-N361 VanDerWaalsContact O-N 3.12Å; L357-N361 PolarHBondContact O-ND2 3.49Å
358	A	85.1	Confident	86	Confident	23 Å²	23	72 Å²	72	19%	0.19	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.1	0	0	0	0	0	111.4	F322 V354 I355 R360 N361 F362	F322-A358 HydrophobicContact CE1-CB 4.46Å; F322-A358 HydrophobicContact CE2-CB 4.03Å; F322-A358 HydrophobicContact CZ-CB 3.71Å; V354-A358 WeakPolarHBondContact O-CB 3.33Å; V354-A358 PolarHBondContact O-N 3.32Å; I355-A358 PolarHBondContact O-N 3Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 3.36Å; A358-N361 PolarHBondContact O-N 3.01Å; A358-N361 VanDerWaalsContact O-N 3.15Å; A358-F362 WeakPolarHBondContact O-CD2 3.48Å; A358-F362 PolarHBondContact O-N 3.35Å
359	S	83.9	Confident	85.7	Confident	57 Å²	57	71.9 Å²	71.9	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-35.3	-180	67.7	0	0	0	0	112.9	I355 N356 F362	I355-S359 WeakPolarHBondContact O-CB 3.36Å; I355-S359 PolarHBondContact O-N 2.83Å; I355-S359 PolarHBondContact O-OG 3.49Å; N356-S359 WeakPolarHBondContact CA-OG 3.49Å; N356-S359 PolarHBondContact O-OG 3.09Å; S359-F362 CarbonylContact O-C 3.57Å
360	R	82.3	Confident	85.5	Confident	198 Å²	198	69.8 Å²	69.8	75%	0.747	39%	0.387	S	S	*	.	H	α-helix	trans	-70.5	-34.2	174.7	-73.5	174.6	-178.9	-170.9	1	113.5	N356 L357 A358	N356-R360 WeakPolarHBondContact O-CB 3.39Å; N356-R360 VanDerWaalsContact O-CG 3.23Å; N356-R360 WeakPolarHBondContact O-CG 3.29Å; N356-R360 PolarHBondContact O-N 2.98Å; L357-R360 PolarHBondContact O-N 3.47Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 3.36Å
361	N	78.9	Confident	85.3	Confident	81 Å²	81	70 Å²	70	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-80	-24.7	-179.7	-75.2	-43	0	0	0	113	L357 A358 P363	L357-N361 PolarHBondContact O-N 2.91Å; L357-N361 VanDerWaalsContact O-N 3.12Å; L357-N361 PolarHBondContact O-ND2 3.49Å; A358-N361 PolarHBondContact O-N 3.01Å; A358-N361 VanDerWaalsContact O-N 3.15Å; N361-P363 WeakPolarHBondContact O-CD 3.3Å
362	F	75.4	Confident	85.3	Confident	59 Å²	59	70.3 Å²	70.3	26%	0.259	39%	0.387	S	S	.	.			trans	-122.6	64.6	178.4	-57.5	-78	0	0	0	111.8	L308 I311 A358 S359 N364 F367	L308-F362 HydrophobicContact CD1-CE1 3.96Å; I311-F362 HydrophobicContact CD1-CE1 4.29Å; I311-F362 HydrophobicContact CD1-CZ 4.17Å; I311-F362 HydrophobicContact CG2-CE1 4Å; I311-F362 HydrophobicContact CG2-CZ 4.5Å; A358-F362 WeakPolarHBondContact O-CD2 3.48Å; A358-F362 PolarHBondContact O-N 3.35Å; S359-F362 CarbonylContact O-C 3.57Å; F362-N364 PolarHBondContact O-N 3.39Å; F362-F367 HydrophobicContact CB-CD1 3.63Å; F362-F367 HydrophobicContact CB-CE1 3.8Å; F362-F367 HydrophobicContact CB-CG 4.11Å; F362-F367 HydrophobicContact CB-CZ 4.43Å; F362-F367 HydrophobicContact CD2-CE1 4.38Å; F362-F367 HydrophobicContact CG-CD1 4.38Å; F362-F367 HydrophobicContact CG-CE1 4.12Å; F362-F367 HydrophobicContact CG-CZ 4.33Å
363	P	67.8	Low	85.3	Confident	57 Å²	57	67 Å²	67	37%	0.37	37%	0.367	S	S	.	.			trans	-73.4	-2.8	-179.7	32.4	-36.3	0	0	0	113.5	N361	N361-P363 WeakPolarHBondContact O-CD 3.3Å
364	N	74.1	Confident	85.4	Confident	67 Å²	67	65.4 Å²	65.4	36%	0.358	35%	0.351	S	S	.	.			trans	-58.2	125.3	-175	-173	-34.9	0	0	0	110.9	F362 D366 F367 Q368	F362-N364 PolarHBondContact O-N 3.39Å; N364-D366 PolarHBondContact O-N 3.46Å; N364-D366 VanDerWaalsContact O-N 3.15Å; N364-D366 VanDerWaalsContact OD1-CB 3.3Å; N364-D366 WeakPolarHBondContact OD1-CB 3.35Å; N364-D366 PolarHBondContact OD1-N 3.3Å; N364-F367 HydrophobicContact CB-CB 4.32Å; N364-F367 WeakPolarHBondContact O-CA 3.27Å; N364-F367 WeakPolarHBondContact O-CB 3.41Å; N364-F367 PolarHBondContact O-N 2.96Å; N364-Q368 PolarHBondContact O-N 2.93Å; N364-Q368 VanDerWaalsContact O-N 3.13Å
365	P	77.1	Confident	85.5	Confident	97 Å²	97	63.4 Å²	63.4	63%	0.63	34%	0.339	S	S	*	.	H	α-helix	trans	-52.7	-35.1	178.4	-26.8	33.9	0	0	0	113.8	F367 Q368 S369	P365-F367 VanDerWaalsContact C-N 3.28Å; P365-F367 PolarHBondContact O-N 2.87Å; P365-Q368 PolarHBondContact O-N 3.31Å; P365-S369 WeakPolarHBondContact O-CB 3.24Å; P365-S369 PolarHBondContact O-N 2.79Å; P365-S369 PolarHBondContact O-OG 3.34Å
366	D	77.2	Confident	85.7	Confident	84 Å²	84	60.4 Å²	60.4	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-38.8	175.1	-82.5	6.5	0	0	0	112.2	K315 N364 S369 L370	K315-D366 IonicContact NZ-OD2 3.77Å; K315-D366 PolarHBondContact NZ-OD2 3.42Å; N364-D366 PolarHBondContact O-N 3.46Å; N364-D366 VanDerWaalsContact O-N 3.15Å; N364-D366 VanDerWaalsContact OD1-CB 3.3Å; N364-D366 WeakPolarHBondContact OD1-CB 3.35Å; N364-D366 PolarHBondContact OD1-N 3.3Å; D366-S369 PolarHBondContact O-OG 3.34Å; D366-L370 WeakPolarHBondContact O-CG 3.41Å; D366-L370 PolarHBondContact O-N 2.87Å
367	F	83.3	Confident	86.1	Confident	26 Å²	26	58 Å²	58	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-74.9	-39.5	-178.4	-161.4	-98	0	0	0	110.6	Q319 F362 N364 P365 L370 L371	Q319-F367 HydrophobicContact CB-CE2 4.47Å; Q319-F367 HydrophobicContact CB-CZ 4.44Å; F362-F367 HydrophobicContact CB-CD1 3.63Å; F362-F367 HydrophobicContact CB-CE1 3.8Å; F362-F367 HydrophobicContact CB-CG 4.11Å; F362-F367 HydrophobicContact CB-CZ 4.43Å; F362-F367 HydrophobicContact CD2-CE1 4.38Å; F362-F367 HydrophobicContact CG-CD1 4.38Å; F362-F367 HydrophobicContact CG-CE1 4.12Å; F362-F367 HydrophobicContact CG-CZ 4.33Å; N364-F367 HydrophobicContact CB-CB 4.32Å; N364-F367 WeakPolarHBondContact O-CA 3.27Å; N364-F367 WeakPolarHBondContact O-CB 3.41Å; N364-F367 PolarHBondContact O-N 2.96Å; P365-F367 VanDerWaalsContact C-N 3.28Å; P365-F367 PolarHBondContact O-N 2.87Å; F367-L370 PolarHBondContact O-N 2.88Å; F367-L371 PolarHBondContact O-N 2.91Å
368	Q	85.8	Confident	86.4	Confident	111 Å²	111	53 Å²	53	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-40.2	176.1	-65.1	-175.8	-2.9	0	0	112.2	N364 P365 L370 L371	N364-Q368 PolarHBondContact O-N 2.93Å; N364-Q368 VanDerWaalsContact O-N 3.13Å; P365-Q368 PolarHBondContact O-N 3.31Å; Q368-L370 PolarHBondContact O-N 2.8Å; Q368-L371 WeakPolarHBondContact O-CB 3.37Å; Q368-L371 PolarHBondContact O-N 3.42Å; Q368-L371 VanDerWaalsContact O-N 3.09Å
369	S	88.8	Confident	87	Confident	43 Å²	43	52 Å²	52	30%	0.301	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-24.9	176.3	69.1	0	0	0	0	113.3	P365 D366 P373 N484	P365-S369 WeakPolarHBondContact O-CB 3.24Å; P365-S369 PolarHBondContact O-N 2.79Å; P365-S369 PolarHBondContact O-OG 3.34Å; D366-S369 PolarHBondContact O-OG 3.34Å; S369-P373 WeakPolarHBondContact O-CD 3.33Å; S369-N484 PolarHBondContact OG-ND2 3.26Å; S369-N484 VanDerWaalsContact OG-ND2 3.11Å
370	L	91.4	Very high	87.6	Confident	20 Å²	20	49.3 Å²	49.3	11%	0.105	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.8	175.8	-70.7	170.7	0	0	0	114	K315 V316 Q319 D366 F367 Q368 P373 S374	K315-L370 HydrophobicContact CB-CD1 4.44Å; K315-L370 HydrophobicContact CD-CD1 3.92Å; K315-L370 HydrophobicContact CG-CD1 3.88Å; V316-L370 HydrophobicContact CG2-CD1 4.19Å; V316-L370 HydrophobicContact CG2-CD2 4.25Å; Q319-L370 HydrophobicContact CG-CB 4.39Å; D366-L370 WeakPolarHBondContact O-CG 3.41Å; D366-L370 PolarHBondContact O-N 2.87Å; F367-L370 PolarHBondContact O-N 2.88Å; Q368-L370 PolarHBondContact O-N 2.8Å; L370-P373 VanDerWaalsContact O-CD 3.3Å; L370-P373 WeakPolarHBondContact O-CD 3.39Å; L370-P373 VanDerWaalsContact O-CG 3.29Å; L370-P373 WeakPolarHBondContact O-CG 3.27Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 3.01Å; L370-S374 VanDerWaalsContact O-N 3.13Å; L370-S374 PolarHBondContact O-OG 2.94Å
371	L	92.1	Very high	88.4	Confident	79 Å²	79	43.8 Å²	43.8	41%	0.414	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-50.1	-177.9	173.2	69.9	0	0	0	112.5	F367 Q368 S374 S375	F367-L371 PolarHBondContact O-N 2.91Å; Q368-L371 WeakPolarHBondContact O-CB 3.37Å; Q368-L371 PolarHBondContact O-N 3.42Å; Q368-L371 VanDerWaalsContact O-N 3.09Å; L371-S374 PolarHBondContact O-N 3.48Å; L371-S375 VanDerWaalsContact O-CB 3.3Å; L371-S375 WeakPolarHBondContact O-CB 3.38Å; L371-S375 PolarHBondContact O-N 3.24Å; L371-S375 PolarHBondContact O-OG 3.38Å
372	P	94.8	Very high	89.3	Confident	33 Å²	33	42.6 Å²	42.6	21%	0.214	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-48.4	178.2	-23.7	35.2	0	0	0	115.6	S374 S375 L376 V481 W482	P372-S374 VanDerWaalsContact C-N 3.32Å; P372-S374 PolarHBondContact O-N 2.85Å; P372-S375 PolarHBondContact O-N 2.87Å; P372-L376 PolarHBondContact O-N 2.84Å; P372-V481 HydrophobicContact CB-CG1 3.63Å; P372-V481 HydrophobicContact CG-CG1 3.59Å; P372-W482 HydrophobicContact CB-CE3 4.3Å; P372-W482 HydrophobicContact CB-CZ3 4.47Å
373	P	95.4	Very high	90.3	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.065	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-36	178.4	27.2	-36.1	0	0	0	112.1	S369 L370 L376 M377 V481 W482 N484	S369-P373 WeakPolarHBondContact O-CD 3.33Å; L370-P373 VanDerWaalsContact O-CD 3.3Å; L370-P373 WeakPolarHBondContact O-CD 3.39Å; L370-P373 VanDerWaalsContact O-CG 3.29Å; L370-P373 WeakPolarHBondContact O-CG 3.27Å; P373-L376 PolarHBondContact O-N 3.05Å; P373-M377 PolarHBondContact O-N 3.41Å; P373-V481 WeakPolarHBondContact CD-O 3.44Å; P373-W482 VanDerWaalsContact CA-O 3.31Å; P373-W482 WeakPolarHBondContact CA-O 3.29Å; P373-W482 VanDerWaalsContact CB-O 3.26Å; P373-W482 WeakPolarHBondContact CB-O 3.44Å; P373-N484 HydrophobicContact CG-CB 3.95Å
374	S	95.4	Very high	91.6	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-37.6	176.2	-57	0	0	0	0	111.8	Q319 L370 L371 P372 M377 A378	Q319-S374 WeakPolarHBondContact CG-OG 3.41Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 3.01Å; L370-S374 VanDerWaalsContact O-N 3.13Å; L370-S374 PolarHBondContact O-OG 2.94Å; L371-S374 PolarHBondContact O-N 3.48Å; P372-S374 VanDerWaalsContact C-N 3.32Å; P372-S374 PolarHBondContact O-N 2.85Å; S374-M377 PolarHBondContact O-N 2.71Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.33Å; S374-A378 PolarHBondContact O-N 2.97Å
375	S	95.4	Very high	92.7	Very high	27 Å²	27	37.4 Å²	37.4	19%	0.189	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-41.5	176.1	-58.3	0	0	0	0	111.5	C323 F327 L371 P372 A378 S379	C323-S375 PolarHBondContact SG-OG 3.3Å; F327-S375 WeakPolarHBondContact CE2-O 3.49Å; L371-S375 VanDerWaalsContact O-CB 3.3Å; L371-S375 WeakPolarHBondContact O-CB 3.38Å; L371-S375 PolarHBondContact O-N 3.24Å; L371-S375 PolarHBondContact O-OG 3.38Å; P372-S375 PolarHBondContact O-N 2.87Å; S375-A378 PolarHBondContact O-N 3.41Å; S375-S379 PolarHBondContact O-N 3.34Å; S375-S379 PolarHBondContact O-OG 3.48Å
376	L	96.4	Very high	93.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-44.4	172.4	174.2	62.8	0	0	0	111.6	P372 P373 A378 S379 V380 F415 W482 L502 H554 W557	P372-L376 PolarHBondContact O-N 2.84Å; P373-L376 PolarHBondContact O-N 3.05Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 3.11Å; L376-S379 PolarHBondContact O-N 3.43Å; L376-S379 PolarHBondContact O-OG 2.96Å; L376-V380 HydrophobicContact CD1-CG2 4.4Å; L376-V380 WeakPolarHBondContact O-CG2 3.48Å; L376-V380 PolarHBondContact O-N 3.31Å; L376-V380 VanDerWaalsContact O-N 3.1Å; L376-F415 HydrophobicContact CD2-CE2 4.3Å; L376-W482 HydrophobicContact CB-CE3 4Å; L376-W482 HydrophobicContact CB-CZ3 4.41Å; L376-W482 HydrophobicContact CD2-CB 4.09Å; L376-W482 HydrophobicContact CD2-CE3 4.46Å; L376-L502 HydrophobicContact CD1-CD2 4.12Å; L376-H554 VanDerWaalsContact CD1-CE1 3.46Å; L376-H554 WeakPolarHBondContact CD1-CE1 3.41Å; L376-W557 HydrophobicContact CD1-CZ2 4.36Å
377	M	97.3	Very high	94.5	Very high	32 Å²	32	29.1 Å²	29.1	16%	0.158	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-35.5	178.9	-74.5	-52.7	-43	0	0	112.6	F320 P373 S374 V380 F381 F411 L412 F415	F320-M377 HydrophobicContact CD2-CB 3.85Å; F320-M377 HydrophobicContact CE2-CB 3.88Å; P373-M377 PolarHBondContact O-N 3.41Å; S374-M377 PolarHBondContact O-N 2.71Å; M377-V380 PolarHBondContact O-N 2.92Å; M377-F381 WeakPolarHBondContact O-CB 3.38Å; M377-F381 PolarHBondContact O-N 3.44Å; M377-F411 HydrophobicContact CE-CE1 4.3Å; M377-F411 HydrophobicContact SD-CE1 4.01Å; M377-F411 HydrophobicContact SD-CZ 4.3Å; M377-L412 HydrophobicContact CE-CD2 3.72Å; M377-F415 HydrophobicContact CG-CD1 4.34Å; M377-F415 HydrophobicContact CG-CE1 3.67Å; M377-F415 HydrophobicContact CG-CE2 4.14Å; M377-F415 HydrophobicContact CG-CZ 3.55Å; M377-F415 HydrophobicContact SD-CD1 3.69Å; M377-F415 HydrophobicContact SD-CD2 4Å; M377-F415 HydrophobicContact SD-CE1 3.65Å; M377-F415 HydrophobicContact SD-CE2 3.97Å; M377-F415 HydrophobicContact SD-CG 3.87Å; M377-F415 HydrophobicContact SD-CZ 3.8Å
378	A	97.7	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-37.9	176.1	0	0	0	0	0	112.5	C323 T324 F327 S374 S375 L376 F381 W382	C323-A378 HydrophobicContact CB-CB 3.63Å; T324-A378 WeakPolarHBondContact OG1-CB 2.97Å; F327-A378 HydrophobicContact CD2-CB 3.74Å; F327-A378 HydrophobicContact CE2-CB 4.08Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.33Å; S374-A378 PolarHBondContact O-N 2.97Å; S375-A378 PolarHBondContact O-N 3.41Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 3.11Å; A378-F381 WeakPolarHBondContact O-CB 3.48Å; A378-F381 PolarHBondContact O-N 2.97Å; A378-W382 PolarHBondContact O-N 2.91Å; A378-W382 VanDerWaalsContact O-N 3.17Å
379	S	96.9	Very high	95.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-44.5	173.7	61.6	0	0	0	0	111.5	S375 L376 F381 W382 M383 H554	S375-S379 PolarHBondContact O-N 3.34Å; S375-S379 PolarHBondContact O-OG 3.48Å; L376-S379 PolarHBondContact O-N 3.43Å; L376-S379 PolarHBondContact O-OG 2.96Å; S379-F381 VanDerWaalsContact C-N 3.33Å; S379-F381 PolarHBondContact O-N 3.05Å; S379-W382 PolarHBondContact O-N 3.35Å; S379-M383 WeakPolarHBondContact O-CG 3.31Å; S379-M383 PolarHBondContact O-N 3.32Å; S379-H554 WeakPolarHBondContact CB-NE2 3.32Å; S379-H554 PolarHBondContact OG-CE1 3.41Å; S379-H554 PolarHBondContact OG-NE2 3.12Å
380	V	97.1	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-39.6	175.3	173	0	0	0	0	111.7	L376 M377 W382 M383 L384 F411 L502 M505	L376-V380 HydrophobicContact CD1-CG2 4.4Å; L376-V380 WeakPolarHBondContact O-CG2 3.48Å; L376-V380 PolarHBondContact O-N 3.31Å; L376-V380 VanDerWaalsContact O-N 3.1Å; M377-V380 PolarHBondContact O-N 2.92Å; V380-W382 VanDerWaalsContact C-N 3.34Å; V380-W382 PolarHBondContact O-N 3.4Å; V380-M383 HydrophobicContact CG2-SD 4.46Å; V380-M383 WeakPolarHBondContact O-CB 3.28Å; V380-M383 PolarHBondContact O-N 3.33Å; V380-L384 HydrophobicContact CG1-CD1 4.09Å; V380-L384 HydrophobicContact CG1-CG 4.29Å; V380-L384 WeakPolarHBondContact O-CG 3.02Å; V380-L384 PolarHBondContact O-N 3Å; V380-F411 HydrophobicContact CB-CE1 4.13Å; V380-F411 HydrophobicContact CG1-CD1 4.02Å; V380-F411 HydrophobicContact CG1-CE1 3.7Å; V380-F411 HydrophobicContact CG2-CE1 3.79Å; V380-F411 HydrophobicContact CG2-CZ 3.75Å; V380-L502 HydrophobicContact CG2-CD1 4.38Å; V380-M505 HydrophobicContact CB-CE 4.19Å; V380-M505 HydrophobicContact CG1-CE 3.64Å; V380-M505 HydrophobicContact CG1-SD 4.09Å; V380-M505 HydrophobicContact CG2-CE 3.54Å
381	F	97.8	Very high	95.7	Very high	82 Å²	82	31.8 Å²	31.8	36%	0.36	17%	0.165	S	C	.	.	H	α-helix	trans	-54.8	-50.1	173.9	171	-91.5	0	0	0	111.2	F320 T324 M377 A378 S379 M383 L384 V385	F320-F381 HydrophobicContact CE2-CB 4.45Å; F320-F381 HydrophobicContact CZ-CB 4.3Å; F320-F381 HydrophobicContact CZ-CD2 4.43Å; F320-F381 HydrophobicContact CZ-CG 4.47Å; T324-F381 HydrophobicContact CG2-CD1 3.41Å; T324-F381 VanDerWaalsContact CG2-CD1 3.41Å; T324-F381 HydrophobicContact CG2-CE1 3.54Å; T324-F381 HydrophobicContact CG2-CG 4.2Å; T324-F381 HydrophobicContact CG2-CZ 4.4Å; M377-F381 WeakPolarHBondContact O-CB 3.38Å; M377-F381 PolarHBondContact O-N 3.44Å; A378-F381 WeakPolarHBondContact O-CB 3.48Å; A378-F381 PolarHBondContact O-N 2.97Å; S379-F381 VanDerWaalsContact C-N 3.33Å; S379-F381 PolarHBondContact O-N 3.05Å; F381-M383 PolarHBondContact O-N 3.34Å; F381-L384 PolarHBondContact O-N 2.86Å; F381-V385 HydrophobicContact CD1-CG2 4.19Å; F381-V385 HydrophobicContact CE1-CG2 3.73Å; F381-V385 HydrophobicContact CE2-CG2 4.11Å; F381-V385 HydrophobicContact CZ-CG2 3.69Å; F381-V385 WeakPolarHBondContact O-CG2 3.24Å; F381-V385 PolarHBondContact O-N 3.46Å
382	W	97.1	Very high	95.6	Very high	57 Å²	57	31.7 Å²	31.7	22%	0.216	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-30.6	178.7	-77.4	115.2	0	0	0	113.5	T324 A378 S379 V380 V385 T386 W543	T324-W382 PolarHBondContact O-NE1 2.98Å; A378-W382 PolarHBondContact O-N 2.91Å; A378-W382 VanDerWaalsContact O-N 3.17Å; S379-W382 PolarHBondContact O-N 3.35Å; V380-W382 VanDerWaalsContact C-N 3.34Å; V380-W382 PolarHBondContact O-N 3.4Å; W382-V385 HydrophobicContact CE3-CB 4.03Å; W382-V385 HydrophobicContact CE3-CG1 3.95Å; W382-V385 HydrophobicContact CE3-CG2 4.44Å; W382-V385 HydrophobicContact CZ3-CB 4.45Å; W382-V385 HydrophobicContact CZ3-CG1 3.91Å; W382-T386 VanDerWaalsContact O-CB 3.32Å; W382-T386 WeakPolarHBondContact O-CB 3.16Å; W382-T386 PolarHBondContact O-N 2.89Å; W382-T386 PolarHBondContact O-OG1 3.33Å; W382-W543 AromaticContact CD2-CH2 3.77Å; W382-W543 HydrophobicContact CD2-CH2 3.77Å; W382-W543 HydrophobicContact CD2-CZ2 4Å; W382-W543 AromaticContact CE3-CH2 3.43Å; W382-W543 HydrophobicContact CE3-CH2 3.43Å; W382-W543 VanDerWaalsContact CE3-CH2 3.43Å; W382-W543 AromaticContact CE3-CZ2 3.4Å; W382-W543 HydrophobicContact CE3-CZ2 3.4Å; W382-W543 VanDerWaalsContact CE3-CZ2 3.4Å; W382-W543 HydrophobicContact CG-CH2 4.4Å; W382-W543 HydrophobicContact CH2-CH2 4.21Å; W382-W543 AromaticContact CZ3-CH2 3.65Å; W382-W543 HydrophobicContact CZ3-CH2 3.65Å; W382-W543 AromaticContact CZ3-CZ2 3.86Å; W382-W543 HydrophobicContact CZ3-CZ2 3.86Å
383	M	96.4	Very high	95.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-46	169.7	-70.5	164.4	69	0	0	111	S379 V380 F381 T386 W387 M505 M509	S379-M383 WeakPolarHBondContact O-CG 3.31Å; S379-M383 PolarHBondContact O-N 3.32Å; V380-M383 HydrophobicContact CG2-SD 4.46Å; V380-M383 WeakPolarHBondContact O-CB 3.28Å; V380-M383 PolarHBondContact O-N 3.33Å; F381-M383 PolarHBondContact O-N 3.34Å; M383-T386 PolarHBondContact O-N 3.47Å; M383-W387 PolarHBondContact O-N 3.13Å; M383-M505 HydrophobicContact CE-CE 4.09Å; M383-M505 HydrophobicContact CE-CG 4.26Å; M383-M509 HydrophobicContact CB-CE 3.83Å; M383-M509 HydrophobicContact CB-CG 4.16Å; M383-M509 HydrophobicContact CB-SD 4.12Å; M383-M509 HydrophobicContact CE-CB 4.17Å; M383-M509 HydrophobicContact CE-CG 3.46Å; M383-M509 VanDerWaalsContact CE-CG 3.46Å; M383-M509 HydrophobicContact CG-CE 4.27Å; M383-M509 HydrophobicContact CG-CG 4.37Å; M383-M509 WeakPolarHBondContact O-CE 3.47Å
384	L	96.8	Very high	94.6	Very high	42 Å²	42	36.8 Å²	36.8	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-42.9	178	-66.1	173.3	0	0	0	112.4	V380 F381 T386 W387 C388 F404 A408	V380-L384 HydrophobicContact CG1-CD1 4.09Å; V380-L384 HydrophobicContact CG1-CG 4.29Å; V380-L384 WeakPolarHBondContact O-CG 3.02Å; V380-L384 PolarHBondContact O-N 3Å; F381-L384 PolarHBondContact O-N 2.86Å; L384-T386 VanDerWaalsContact C-N 3.29Å; L384-T386 PolarHBondContact O-N 3.36Å; L384-W387 WeakPolarHBondContact O-CB 3.42Å; L384-W387 PolarHBondContact O-N 3.44Å; L384-C388 PolarHBondContact O-N 3.45Å; L384-C388 PolarHBondContact O-SG 3.28Å; L384-C388 VanDerWaalsContact O-SG 3.37Å; L384-F404 HydrophobicContact CD2-CE1 3.86Å; L384-F404 HydrophobicContact CD2-CZ 3.8Å; L384-A408 HydrophobicContact CD2-CB 3.76Å
385	V	96.8	Very high	94	Very high	31 Å²	31	37 Å²	37	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-43.9	174.2	170.9	0	0	0	0	110.4	F381 W382 C388 L389	F381-V385 HydrophobicContact CD1-CG2 4.19Å; F381-V385 HydrophobicContact CE1-CG2 3.73Å; F381-V385 HydrophobicContact CE2-CG2 4.11Å; F381-V385 HydrophobicContact CZ-CG2 3.69Å; F381-V385 WeakPolarHBondContact O-CG2 3.24Å; F381-V385 PolarHBondContact O-N 3.46Å; W382-V385 HydrophobicContact CE3-CB 4.03Å; W382-V385 HydrophobicContact CE3-CG1 3.95Å; W382-V385 HydrophobicContact CE3-CG2 4.44Å; W382-V385 HydrophobicContact CZ3-CB 4.45Å; W382-V385 HydrophobicContact CZ3-CG1 3.91Å; V385-C388 PolarHBondContact O-N 3.11Å; V385-L389 HydrophobicContact CG1-CD1 3.73Å; V385-L389 HydrophobicContact CG1-CG 4.35Å; V385-L389 WeakPolarHBondContact O-CB 3.26Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.45Å
386	T	95.9	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-42.5	178.3	-55.2	0	0	0	0	111.4	W382 M383 L384 C388 L389 W390 F391 W543 V547	W382-T386 VanDerWaalsContact O-CB 3.32Å; W382-T386 WeakPolarHBondContact O-CB 3.16Å; W382-T386 PolarHBondContact O-N 2.89Å; W382-T386 PolarHBondContact O-OG1 3.33Å; M383-T386 PolarHBondContact O-N 3.47Å; L384-T386 VanDerWaalsContact C-N 3.29Å; L384-T386 PolarHBondContact O-N 3.36Å; T386-C388 VanDerWaalsContact C-N 3.33Å; T386-C388 PolarHBondContact O-N 3.44Å; T386-L389 PolarHBondContact O-N 2.9Å; T386-W390 HydrophobicContact CG2-CB 4.08Å; T386-W390 HydrophobicContact CG2-CD2 4.37Å; T386-W390 HydrophobicContact CG2-CE3 4.2Å; T386-W390 HydrophobicContact CG2-CG 4.33Å; T386-W390 WeakPolarHBondContact O-CA 3.27Å; T386-W390 WeakPolarHBondContact O-CB 3.4Å; T386-W390 PolarHBondContact O-N 3.46Å; T386-F391 HydrophobicContact CG2-CE1 4.19Å; T386-F391 HydrophobicContact CG2-CE2 4.25Å; T386-F391 HydrophobicContact CG2-CZ 3.9Å; T386-F391 PolarHBondContact O-N 3.25Å; T386-W543 PolarHBondContact OG1-NE1 3.06Å; T386-V547 HydrophobicContact CG2-CB 4.45Å; T386-V547 HydrophobicContact CG2-CG1 4.19Å; T386-V547 HydrophobicContact CG2-CG2 4.08Å; T386-V547 WeakPolarHBondContact OG1-CG2 3.44Å
387	W	96.1	Very high	92.5	Very high	6 Å²	6	43.7 Å²	43.7	2%	0.023	24%	0.243	C	C	.	.	I	π-helix	trans	-56	-48.6	174.5	-176.8	-83.8	0	0	0	111.7	M383 L384 F391 L392 L395 V400 F404 W508 M509	M383-W387 PolarHBondContact O-N 3.13Å; L384-W387 WeakPolarHBondContact O-CB 3.42Å; L384-W387 PolarHBondContact O-N 3.44Å; W387-F391 HydrophobicContact CB-CD2 4.44Å; W387-F391 HydrophobicContact CD2-CD2 4.35Å; W387-F391 AromaticContact CE3-CD2 3.74Å; W387-F391 HydrophobicContact CE3-CD2 3.74Å; W387-F391 HydrophobicContact CZ3-CD2 4.35Å; W387-F391 PolarHBondContact O-N 2.95Å; W387-L392 WeakPolarHBondContact O-CB 3.45Å; W387-L392 PolarHBondContact O-N 3.47Å; W387-L395 HydrophobicContact CH2-CD2 3.94Å; W387-L395 HydrophobicContact CZ2-CD2 4.23Å; W387-V400 HydrophobicContact CH2-CG1 3.98Å; W387-V400 HydrophobicContact CZ2-CG1 4.24Å; W387-F404 HydrophobicContact CB-CE1 3.82Å; W387-F404 HydrophobicContact CB-CZ 3.79Å; W387-F404 AromaticContact CD1-CD1 3.56Å; W387-F404 AromaticContact CD1-CE1 3.39Å; W387-F404 AromaticContact CD2-CD1 3.52Å; W387-F404 HydrophobicContact CD2-CD1 3.52Å; W387-F404 AromaticContact CD2-CD2 3.82Å; W387-F404 HydrophobicContact CD2-CD2 3.82Å; W387-F404 AromaticContact CD2-CE1 3.43Å; W387-F404 HydrophobicContact CD2-CE1 3.43Å; W387-F404 VanDerWaalsContact CD2-CE1 3.43Å; W387-F404 AromaticContact CD2-CE2 3.72Å; W387-F404 HydrophobicContact CD2-CE2 3.72Å; W387-F404 AromaticContact CD2-CG 3.7Å; W387-F404 HydrophobicContact CD2-CG 3.7Å; W387-F404 AromaticContact CD2-CZ 3.51Å; W387-F404 HydrophobicContact CD2-CZ 3.51Å; W387-F404 AromaticContact CE2-CD1 3.29Å; W387-F404 AromaticContact CE2-CD2 3.94Å; W387-F404 AromaticContact CE2-CE1 3.73Å; W387-F404 AromaticContact CE2-CG 3.38Å; W387-F404 HydrophobicContact CE3-CD1 4.23Å; W387-F404 AromaticContact CE3-CD2 3.65Å; W387-F404 HydrophobicContact CE3-CD2 3.65Å; W387-F404 HydrophobicContact CE3-CE1 4.11Å; W387-F404 AromaticContact CE3-CE2 3.49Å; W387-F404 HydrophobicContact CE3-CE2 3.49Å; W387-F404 VanDerWaalsContact CE3-CE2 3.49Å; W387-F404 AromaticContact CE3-CG 4Å; W387-F404 HydrophobicContact CE3-CG 4Å; W387-F404 AromaticContact CE3-CZ 3.72Å; W387-F404 HydrophobicContact CE3-CZ 3.72Å; W387-F404 AromaticContact CG-CD1 3.71Å; W387-F404 HydrophobicContact CG-CD1 3.71Å; W387-F404 AromaticContact CG-CE1 3.24Å; W387-F404 HydrophobicContact CG-CE1 3.24Å; W387-F404 HydrophobicContact CG-CE2 4.24Å; W387-F404 HydrophobicContact CG-CG 4.37Å; W387-F404 AromaticContact CG-CZ 3.53Å; W387-F404 HydrophobicContact CG-CZ 3.53Å; W387-F404 HydrophobicContact CH2-CB 3.8Å; W387-F404 AromaticContact CH2-CD2 3.78Å; W387-F404 HydrophobicContact CH2-CD2 3.78Å; W387-F404 HydrophobicContact CH2-CE2 4.47Å; W387-F404 AromaticContact CH2-CG 3.77Å; W387-F404 HydrophobicContact CH2-CG 3.77Å; W387-F404 HydrophobicContact CZ2-CB 3.4Å; W387-F404 AromaticContact CZ2-CD1 3.84Å; W387-F404 HydrophobicContact CZ2-CD1 3.84Å; W387-F404 AromaticContact CZ2-CD2 3.93Å; W387-F404 HydrophobicContact CZ2-CD2 3.93Å; W387-F404 AromaticContact CZ2-CG 3.43Å; W387-F404 HydrophobicContact CZ2-CG 3.43Å; W387-F404 VanDerWaalsContact CZ2-CG 3.43Å; W387-F404 AromaticContact CZ3-CD2 3.64Å; W387-F404 HydrophobicContact CZ3-CD2 3.64Å; W387-F404 AromaticContact CZ3-CE2 3.91Å; W387-F404 HydrophobicContact CZ3-CE2 3.91Å; W387-F404 HydrophobicContact CZ3-CG 4.04Å; W387-F404 AromaticContact NE1-CD1 3.29Å; W387-F404 VanDerWaalsContact NE1-CD1 3.29Å; W387-F404 AromaticContact NE1-CE1 3.67Å; W387-F404 AromaticContact NE1-CG 3.88Å; W387-W508 HydrophobicContact CH2-CB 4.41Å; W387-W508 HydrophobicContact CZ3-CB 4.01Å; W387-M509 HydrophobicContact CB-SD 4.19Å; W387-M509 HydrophobicContact CE3-SD 3.81Å
388	C	94.4	Very high	92	Very high	73 Å²	73	46.9 Å²	46.9	49%	0.493	26%	0.264	S	S	.	.	I	π-helix	trans	-68.9	-38.2	-177.6	-68	0	0	0	0	113.6	L384 V385 T386 L392	L384-C388 PolarHBondContact O-N 3.45Å; L384-C388 PolarHBondContact O-SG 3.28Å; L384-C388 VanDerWaalsContact O-SG 3.37Å; V385-C388 PolarHBondContact O-N 3.11Å; T386-C388 VanDerWaalsContact C-N 3.33Å; T386-C388 PolarHBondContact O-N 3.44Å; C388-L392 WeakPolarHBondContact O-CB 3.35Å
389	L	93.4	Very high	91.7	Very high	113 Å²	113	49.7 Å²	49.7	59%	0.592	29%	0.287	S	S	*	.	I	π-helix	trans	-96	-33.2	-171.5	-65.2	-177.5	0	0	0	113.9	V385 T386	V385-L389 HydrophobicContact CG1-CD1 3.73Å; V385-L389 HydrophobicContact CG1-CG 4.35Å; V385-L389 WeakPolarHBondContact O-CB 3.26Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.45Å; T386-L389 PolarHBondContact O-N 2.9Å
390	W	92.7	Very high	91.5	Very high	70 Å²	70	50.6 Å²	50.6	27%	0.265	29%	0.293	S	S	.	.	I	π-helix	trans	-104	-38.3	-178	-78.6	-103.4	0	0	0	113.3	T386 Y516 W543 V544	T386-W390 HydrophobicContact CG2-CB 4.08Å; T386-W390 HydrophobicContact CG2-CD2 4.37Å; T386-W390 HydrophobicContact CG2-CE3 4.2Å; T386-W390 HydrophobicContact CG2-CG 4.33Å; T386-W390 WeakPolarHBondContact O-CA 3.27Å; T386-W390 WeakPolarHBondContact O-CB 3.4Å; T386-W390 PolarHBondContact O-N 3.46Å; W390-Y516 HydrophobicContact CB-CD2 4.36Å; W390-Y516 HydrophobicContact CB-CE2 4.38Å; W390-Y516 AromaticContact CD1-CE2 3.66Å; W390-Y516 AromaticContact CD1-CZ 3.89Å; W390-Y516 HydrophobicContact CG-CE2 4.43Å; W390-W543 HydrophobicContact CZ2-CG 4.47Å; W390-V544 HydrophobicContact CG-CG2 4.35Å
391	F	93.6	Very high	91.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-95.1	-39.5	-170.7	-57.9	-19.8	0	0	0	112.8	T386 W387 P393 D394 L395 M509 C513 Y516 V544	T386-F391 HydrophobicContact CG2-CE1 4.19Å; T386-F391 HydrophobicContact CG2-CE2 4.25Å; T386-F391 HydrophobicContact CG2-CZ 3.9Å; T386-F391 PolarHBondContact O-N 3.25Å; W387-F391 HydrophobicContact CB-CD2 4.44Å; W387-F391 HydrophobicContact CD2-CD2 4.35Å; W387-F391 AromaticContact CE3-CD2 3.74Å; W387-F391 HydrophobicContact CE3-CD2 3.74Å; W387-F391 HydrophobicContact CZ3-CD2 4.35Å; W387-F391 PolarHBondContact O-N 2.95Å; F391-P393 VanDerWaalsContact C-N 3.32Å; F391-D394 PolarHBondContact O-N 2.83Å; F391-L395 HydrophobicContact CB-CD1 4.07Å; F391-L395 WeakPolarHBondContact O-CD1 3.45Å; F391-L395 PolarHBondContact O-N 3.15Å; F391-M509 HydrophobicContact CD2-CE 4.26Å; F391-M509 HydrophobicContact CE2-CE 3.54Å; F391-M509 HydrophobicContact CE2-SD 4.2Å; F391-M509 HydrophobicContact CZ-CE 4.37Å; F391-C513 HydrophobicContact CZ-CB 4.46Å; F391-Y516 HydrophobicContact CE1-CG 4.4Å; F391-V544 HydrophobicContact CE1-CG1 4.24Å; F391-V544 HydrophobicContact CZ-CG1 4.44Å
392	L	89.8	Confident	90.9	Very high	78 Å²	78	53 Å²	53	41%	0.408	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.8	-178.8	-164.8	139.9	0	0	0	114.4	W387 C388 D394	W387-L392 WeakPolarHBondContact O-CB 3.45Å; W387-L392 PolarHBondContact O-N 3.47Å; C388-L392 WeakPolarHBondContact O-CB 3.35Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 2.72Å
393	P	88.3	Confident	90.8	Very high	93 Å²	93	54.6 Å²	54.6	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.4	174.4	-24.3	35.7	0	0	0	114.3	F391	F391-P393 VanDerWaalsContact C-N 3.32Å
394	D	82.1	Confident	90.8	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-27.6	-174.7	-70	-14.1	0	0	0	113.3	F391 L392 S396 S519 H520	F391-D394 PolarHBondContact O-N 2.83Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 2.72Å; D394-S396 PolarHBondContact O-N 3.32Å; D394-S519 PolarHBondContact OD2-OG 2.9Å; D394-H520 VanDerWaalsContact CG-CE1 3.4Å; D394-H520 IonicContact OD1-CE1 2.99Å; D394-H520 PolarHBondContact OD1-CE1 3.44Å; D394-H520 IonicContact OD2-CE1 2.69Å; D394-H520 PolarHBondContact OD2-CE1 3.44Å; D394-H520 IonicContact OD2-ND1 3.19Å; D394-H520 PolarHBondContact OD2-ND1 2.94Å
395	L	81.4	Confident	90.7	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.058	34%	0.337	C	S	.	.			trans	-87.8	94.9	-177.9	-85.1	76.1	0	0	0	110.7	W387 F391 S397 V400 Q401 Y511	W387-L395 HydrophobicContact CH2-CD2 3.94Å; W387-L395 HydrophobicContact CZ2-CD2 4.23Å; F391-L395 HydrophobicContact CB-CD1 4.07Å; F391-L395 WeakPolarHBondContact O-CD1 3.45Å; F391-L395 PolarHBondContact O-N 3.15Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.96Å; L395-V400 HydrophobicContact CD2-CG1 3.79Å; L395-Q401 PolarHBondContact O-NE2 3.02Å; L395-Y511 HydrophobicContact CD2-CD1 4.29Å; L395-Y511 HydrophobicContact CD2-CE1 3.75Å; L395-Y511 HydrophobicContact CG-CE1 4.49Å
396	S	71.3	Confident	90.7	Very high	118 Å²	118	60.2 Å²	60.2	83%	0.825	35%	0.354	S	S	*	.			trans	-76	-12	179	61.5	0	0	0	0	115	D394 T398	D394-S396 PolarHBondContact O-N 3.32Å; S396-T398 PolarHBondContact O-N 3.36Å
397	S	88.6	Confident	90.8	Very high	53 Å²	53	60.8 Å²	60.8	37%	0.371	36%	0.357	S	S	.	.			trans	-77.8	106.8	-177.7	-179.1	0	0	0	0	112.2	L395 A399 V400 Q401	L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.96Å; S397-A399 PolarHBondContact O-N 3.17Å; S397-V400 PolarHBondContact O-N 3.06Å; S397-V400 VanDerWaalsContact O-N 3.1Å; S397-Q401 PolarHBondContact O-N 3.06Å
398	T	88.5	Confident	90.8	Very high	98 Å²	98	61 Å²	61	60%	0.601	36%	0.36	S	S	*	.	H	α-helix	trans	-55.8	-35.4	174.8	-45.2	0	0	0	0	112.2	S396 V400 Q401 V402	S396-T398 PolarHBondContact O-N 3.36Å; T398-V400 PolarHBondContact O-N 3.5Å; T398-Q401 PolarHBondContact O-N 3.23Å; T398-V402 HydrophobicContact CG2-CG2 4.42Å; T398-V402 WeakPolarHBondContact O-CG2 3.45Å; T398-V402 PolarHBondContact O-N 3.21Å
399	A	91.4	Very high	91	Very high	60 Å²	60	61 Å²	61	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-42.6	178.2	0	0	0	0	0	112	S397 V402 L403	S397-A399 PolarHBondContact O-N 3.17Å; A399-V402 PolarHBondContact O-N 3.2Å; A399-L403 WeakPolarHBondContact O-CB 3.25Å; A399-L403 VanDerWaalsContact O-CG 3.23Å; A399-L403 WeakPolarHBondContact O-CG 3.48Å; A399-L403 PolarHBondContact O-N 3.1Å
400	V	91	Very high	91.2	Very high	20 Å²	20	57.1 Å²	57.1	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-43	178.2	174.6	0	0	0	0	110.8	W387 L395 S397 T398 L403 F404 W508 Y511	W387-V400 HydrophobicContact CH2-CG1 3.98Å; W387-V400 HydrophobicContact CZ2-CG1 4.24Å; L395-V400 HydrophobicContact CD2-CG1 3.79Å; S397-V400 PolarHBondContact O-N 3.06Å; S397-V400 VanDerWaalsContact O-N 3.1Å; T398-V400 PolarHBondContact O-N 3.5Å; V400-L403 PolarHBondContact O-N 3.42Å; V400-F404 WeakPolarHBondContact O-CB 3.26Å; V400-F404 PolarHBondContact O-N 2.92Å; V400-W508 HydrophobicContact CB-CZ3 4.48Å; V400-W508 HydrophobicContact CG1-CE3 4.04Å; V400-W508 HydrophobicContact CG1-CH2 4.44Å; V400-W508 HydrophobicContact CG1-CZ3 3.69Å; V400-W508 HydrophobicContact CG2-CZ3 4.33Å; V400-Y511 HydrophobicContact CG1-CE1 4.19Å
401	Q	91	Very high	91.5	Very high	55 Å²	55	53.8 Å²	53.8	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-48	177.6	-63.6	179.3	4.4	0	0	111.4	L395 S397 T398 L403 F404 T405	L395-Q401 PolarHBondContact O-NE2 3.02Å; S397-Q401 PolarHBondContact O-N 3.06Å; T398-Q401 PolarHBondContact O-N 3.23Å; Q401-L403 PolarHBondContact O-N 3Å; Q401-F404 PolarHBondContact O-N 3.5Å; Q401-T405 PolarHBondContact O-N 3.39Å; Q401-T405 PolarHBondContact O-OG1 3.07Å
402	V	93.1	Very high	91.7	Very high	77 Å²	77	56.8 Å²	56.8	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-46.5	178	170.9	0	0	0	0	111.4	T398 A399 F404 T405 L406	T398-V402 HydrophobicContact CG2-CG2 4.42Å; T398-V402 WeakPolarHBondContact O-CG2 3.45Å; T398-V402 PolarHBondContact O-N 3.21Å; A399-V402 PolarHBondContact O-N 3.2Å; V402-F404 VanDerWaalsContact C-N 3.34Å; V402-F404 PolarHBondContact O-N 2.97Å; V402-T405 PolarHBondContact O-N 3.1Å; V402-L406 HydrophobicContact CG1-CD1 4Å; V402-L406 HydrophobicContact CG1-CG 4.38Å; V402-L406 WeakPolarHBondContact O-CB 3.36Å; V402-L406 VanDerWaalsContact O-CG 3.31Å; V402-L406 WeakPolarHBondContact O-CG 3.39Å; V402-L406 PolarHBondContact O-N 3.43Å
403	L	94.9	Very high	92.1	Very high	91 Å²	91	58.5 Å²	58.5	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-39.9	179.5	-71.8	173.2	0	0	0	112.2	A399 V400 Q401 N407 W508	A399-L403 WeakPolarHBondContact O-CB 3.25Å; A399-L403 VanDerWaalsContact O-CG 3.23Å; A399-L403 WeakPolarHBondContact O-CG 3.48Å; A399-L403 PolarHBondContact O-N 3.1Å; V400-L403 PolarHBondContact O-N 3.42Å; Q401-L403 PolarHBondContact O-N 3Å; L403-N407 WeakPolarHBondContact O-CB 3.38Å; L403-N407 PolarHBondContact O-N 3.01Å; L403-W508 HydrophobicContact CB-CH2 4.33Å; L403-W508 HydrophobicContact CB-CZ2 3.81Å; L403-W508 HydrophobicContact CD1-CH2 4.23Å; L403-W508 HydrophobicContact CD1-CZ2 4.2Å
404	F	95.4	Very high	92.5	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-47.8	174.2	178.8	-97.8	0	0	0	111.6	L384 W387 V400 Q401 V402 L406 N407 A408 M505 W508 M509	L384-F404 HydrophobicContact CD2-CE1 3.86Å; L384-F404 HydrophobicContact CD2-CZ 3.8Å; W387-F404 HydrophobicContact CB-CE1 3.82Å; W387-F404 HydrophobicContact CB-CZ 3.79Å; W387-F404 AromaticContact CD1-CD1 3.56Å; W387-F404 AromaticContact CD1-CE1 3.39Å; W387-F404 AromaticContact CD2-CD1 3.52Å; W387-F404 HydrophobicContact CD2-CD1 3.52Å; W387-F404 AromaticContact CD2-CD2 3.82Å; W387-F404 HydrophobicContact CD2-CD2 3.82Å; W387-F404 AromaticContact CD2-CE1 3.43Å; W387-F404 HydrophobicContact CD2-CE1 3.43Å; W387-F404 VanDerWaalsContact CD2-CE1 3.43Å; W387-F404 AromaticContact CD2-CE2 3.72Å; W387-F404 HydrophobicContact CD2-CE2 3.72Å; W387-F404 AromaticContact CD2-CG 3.7Å; W387-F404 HydrophobicContact CD2-CG 3.7Å; W387-F404 AromaticContact CD2-CZ 3.51Å; W387-F404 HydrophobicContact CD2-CZ 3.51Å; W387-F404 AromaticContact CE2-CD1 3.29Å; W387-F404 AromaticContact CE2-CD2 3.94Å; W387-F404 AromaticContact CE2-CE1 3.73Å; W387-F404 AromaticContact CE2-CG 3.38Å; W387-F404 HydrophobicContact CE3-CD1 4.23Å; W387-F404 AromaticContact CE3-CD2 3.65Å; W387-F404 HydrophobicContact CE3-CD2 3.65Å; W387-F404 HydrophobicContact CE3-CE1 4.11Å; W387-F404 AromaticContact CE3-CE2 3.49Å; W387-F404 HydrophobicContact CE3-CE2 3.49Å; W387-F404 VanDerWaalsContact CE3-CE2 3.49Å; W387-F404 AromaticContact CE3-CG 4Å; W387-F404 HydrophobicContact CE3-CG 4Å; W387-F404 AromaticContact CE3-CZ 3.72Å; W387-F404 HydrophobicContact CE3-CZ 3.72Å; W387-F404 AromaticContact CG-CD1 3.71Å; W387-F404 HydrophobicContact CG-CD1 3.71Å; W387-F404 AromaticContact CG-CE1 3.24Å; W387-F404 HydrophobicContact CG-CE1 3.24Å; W387-F404 HydrophobicContact CG-CE2 4.24Å; W387-F404 HydrophobicContact CG-CG 4.37Å; W387-F404 AromaticContact CG-CZ 3.53Å; W387-F404 HydrophobicContact CG-CZ 3.53Å; W387-F404 HydrophobicContact CH2-CB 3.8Å; W387-F404 AromaticContact CH2-CD2 3.78Å; W387-F404 HydrophobicContact CH2-CD2 3.78Å; W387-F404 HydrophobicContact CH2-CE2 4.47Å; W387-F404 AromaticContact CH2-CG 3.77Å; W387-F404 HydrophobicContact CH2-CG 3.77Å; W387-F404 HydrophobicContact CZ2-CB 3.4Å; W387-F404 AromaticContact CZ2-CD1 3.84Å; W387-F404 HydrophobicContact CZ2-CD1 3.84Å; W387-F404 AromaticContact CZ2-CD2 3.93Å; W387-F404 HydrophobicContact CZ2-CD2 3.93Å; W387-F404 AromaticContact CZ2-CG 3.43Å; W387-F404 HydrophobicContact CZ2-CG 3.43Å; W387-F404 VanDerWaalsContact CZ2-CG 3.43Å; W387-F404 AromaticContact CZ3-CD2 3.64Å; W387-F404 HydrophobicContact CZ3-CD2 3.64Å; W387-F404 AromaticContact CZ3-CE2 3.91Å; W387-F404 HydrophobicContact CZ3-CE2 3.91Å; W387-F404 HydrophobicContact CZ3-CG 4.04Å; W387-F404 AromaticContact NE1-CD1 3.29Å; W387-F404 VanDerWaalsContact NE1-CD1 3.29Å; W387-F404 AromaticContact NE1-CE1 3.67Å; W387-F404 AromaticContact NE1-CG 3.88Å; V400-F404 WeakPolarHBondContact O-CB 3.26Å; V400-F404 PolarHBondContact O-N 2.92Å; Q401-F404 PolarHBondContact O-N 3.5Å; V402-F404 VanDerWaalsContact C-N 3.34Å; V402-F404 PolarHBondContact O-N 2.97Å; F404-L406 VanDerWaalsContact C-N 3.32Å; F404-L406 PolarHBondContact O-N 3.03Å; F404-N407 PolarHBondContact O-N 3.33Å; F404-N407 VanDerWaalsContact O-N 3.09Å; F404-A408 HydrophobicContact CE1-CB 4.39Å; F404-A408 WeakPolarHBondContact O-CB 3.32Å; F404-A408 PolarHBondContact O-N 2.85Å; F404-M505 HydrophobicContact CE2-CG 4.17Å; F404-W508 HydrophobicContact CD2-CB 3.59Å; F404-W508 AromaticContact CD2-CG 3.92Å; F404-W508 HydrophobicContact CD2-CG 3.92Å; F404-W508 HydrophobicContact CE2-CB 4.05Å; F404-M509 HydrophobicContact CE2-SD 4.02Å; F404-M509 HydrophobicContact CZ-SD 4.1Å
405	T	94.6	Very high	93.3	Very high	81 Å²	81	55.2 Å²	55.2	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-41.9	178.4	-57.5	0	0	0	0	111.6	Q401 V402 N407 A408 T409	Q401-T405 PolarHBondContact O-N 3.39Å; Q401-T405 PolarHBondContact O-OG1 3.07Å; V402-T405 PolarHBondContact O-N 3.1Å; T405-N407 VanDerWaalsContact C-N 3.33Å; T405-N407 PolarHBondContact O-N 2.86Å; T405-A408 PolarHBondContact O-N 3.49Å; T405-T409 HydrophobicContact CG2-CG2 4.43Å; T405-T409 WeakPolarHBondContact O-CB 3.38Å; T405-T409 VanDerWaalsContact O-CG2 3.27Å; T405-T409 WeakPolarHBondContact O-CG2 3.44Å; T405-T409 PolarHBondContact O-N 3.46Å; T405-T409 PolarHBondContact O-OG1 2.98Å
406	L	96.9	Very high	94	Very high	105 Å²	105	58.5 Å²	58.5	55%	0.55	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-40.3	174.2	-72	175	0	0	0	111.9	V402 F404 T409 A410	V402-L406 HydrophobicContact CG1-CD1 4Å; V402-L406 HydrophobicContact CG1-CG 4.38Å; V402-L406 WeakPolarHBondContact O-CB 3.36Å; V402-L406 VanDerWaalsContact O-CG 3.31Å; V402-L406 WeakPolarHBondContact O-CG 3.39Å; V402-L406 PolarHBondContact O-N 3.43Å; F404-L406 VanDerWaalsContact C-N 3.32Å; F404-L406 PolarHBondContact O-N 3.03Å; L406-T409 WeakPolarHBondContact CA-OG1 3.19Å; L406-T409 PolarHBondContact O-OG1 3.49Å; L406-A410 VanDerWaalsContact O-CB 3.24Å; L406-A410 WeakPolarHBondContact O-CB 3.13Å; L406-A410 PolarHBondContact O-N 2.82Å
407	N	97.8	Very high	95.3	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.064	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-42.3	177.9	176.3	-113.5	0	0	0	112.8	L403 F404 T405 A410 F411 S501 M504 M505	L403-N407 WeakPolarHBondContact O-CB 3.38Å; L403-N407 PolarHBondContact O-N 3.01Å; F404-N407 PolarHBondContact O-N 3.33Å; F404-N407 VanDerWaalsContact O-N 3.09Å; T405-N407 VanDerWaalsContact C-N 3.33Å; T405-N407 PolarHBondContact O-N 2.86Å; N407-A410 WeakPolarHBondContact O-CB 3.31Å; N407-A410 PolarHBondContact O-N 3.1Å; N407-F411 PolarHBondContact O-N 3.46Å; N407-S501 PolarHBondContact ND2-O 3.25Å; N407-S501 VanDerWaalsContact ND2-O 3.13Å; N407-S501 PolarHBondContact OD1-O 3.04Å; N407-M504 WeakPolarHBondContact ND2-CB 3.33Å; N407-M505 WeakPolarHBondContact OD1-CA 3.09Å; N407-M505 WeakPolarHBondContact OD1-CB 3.46Å; N407-M505 PolarHBondContact OD1-N 2.93Å
408	A	97.1	Very high	95.7	Very high	10 Å²	10	55 Å²	55	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-43.6	176	0	0	0	0	0	111.8	L384 F404 T405 F411 L412	L384-A408 HydrophobicContact CD2-CB 3.76Å; F404-A408 HydrophobicContact CE1-CB 4.39Å; F404-A408 WeakPolarHBondContact O-CB 3.32Å; F404-A408 PolarHBondContact O-N 2.85Å; T405-A408 PolarHBondContact O-N 3.49Å; A408-F411 PolarHBondContact O-N 3.47Å; A408-L412 WeakPolarHBondContact O-CG 3.4Å; A408-L412 PolarHBondContact O-N 3.49Å
409	T	97.6	Very high	96	Very high	75 Å²	75	52.2 Å²	52.2	46%	0.46	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-40.3	174.9	52	0	0	0	0	111.8	T405 L406 L412 Y413	T405-T409 HydrophobicContact CG2-CG2 4.43Å; T405-T409 WeakPolarHBondContact O-CB 3.38Å; T405-T409 VanDerWaalsContact O-CG2 3.27Å; T405-T409 WeakPolarHBondContact O-CG2 3.44Å; T405-T409 PolarHBondContact O-N 3.46Å; T405-T409 PolarHBondContact O-OG1 2.98Å; L406-T409 WeakPolarHBondContact CA-OG1 3.19Å; L406-T409 PolarHBondContact O-OG1 3.49Å; T409-L412 PolarHBondContact O-N 2.89Å; T409-Y413 VanDerWaalsContact O-CB 3.32Å; T409-Y413 WeakPolarHBondContact O-CB 3.39Å; T409-Y413 PolarHBondContact O-N 3.26Å
410	A	98.2	Very high	96.2	Very high	30 Å²	30	58.8 Å²	58.8	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-44.5	172.9	0	0	0	0	0	112	L406 N407 Y413 Y414	L406-A410 VanDerWaalsContact O-CB 3.24Å; L406-A410 WeakPolarHBondContact O-CB 3.13Å; L406-A410 PolarHBondContact O-N 2.82Å; N407-A410 WeakPolarHBondContact O-CB 3.31Å; N407-A410 PolarHBondContact O-N 3.1Å; A410-Y413 PolarHBondContact O-N 3.48Å; A410-Y414 HydrophobicContact CB-CD2 4.27Å; A410-Y414 HydrophobicContact CB-CE2 4.06Å; A410-Y414 WeakPolarHBondContact O-CB 3.38Å; A410-Y414 WeakPolarHBondContact O-CD2 3.49Å; A410-Y414 PolarHBondContact O-N 2.98Å
411	F	98.3	Very high	96.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.3	-51.7	175.6	170.4	-92.7	0	0	0	111.8	M377 V380 N407 A408 Y413 Y414 F415 L498 S501 L502 M505	M377-F411 HydrophobicContact CE-CE1 4.3Å; M377-F411 HydrophobicContact SD-CE1 4.01Å; M377-F411 HydrophobicContact SD-CZ 4.3Å; V380-F411 HydrophobicContact CB-CE1 4.13Å; V380-F411 HydrophobicContact CG1-CD1 4.02Å; V380-F411 HydrophobicContact CG1-CE1 3.7Å; V380-F411 HydrophobicContact CG2-CE1 3.79Å; V380-F411 HydrophobicContact CG2-CZ 3.75Å; N407-F411 PolarHBondContact O-N 3.46Å; A408-F411 PolarHBondContact O-N 3.47Å; F411-Y413 VanDerWaalsContact C-N 3.33Å; F411-Y413 PolarHBondContact O-N 2.93Å; F411-Y414 PolarHBondContact O-N 2.99Å; F411-F415 WeakPolarHBondContact O-CB 3.41Å; F411-F415 PolarHBondContact O-N 3Å; F411-L498 HydrophobicContact CD2-CD1 3.58Å; F411-L498 HydrophobicContact CE2-CD1 3.38Å; F411-L498 HydrophobicContact CG-CD1 4.47Å; F411-L498 HydrophobicContact CZ-CD1 4.14Å; F411-S501 VanDerWaalsContact CA-OG 3.28Å; F411-S501 WeakPolarHBondContact CA-OG 3.47Å; F411-L502 HydrophobicContact CD2-CB 3.87Å; F411-L502 HydrophobicContact CD2-CD1 4.24Å; F411-L502 HydrophobicContact CE2-CB 3.84Å; F411-L502 HydrophobicContact CE2-CD1 3.79Å; F411-L502 HydrophobicContact CE2-CD2 4.32Å; F411-L502 HydrophobicContact CE2-CG 4.19Å; F411-L502 HydrophobicContact CZ-CD1 4.43Å; F411-M505 HydrophobicContact CD1-CE 4.13Å; F411-M505 HydrophobicContact CD2-CE 4.22Å; F411-M505 HydrophobicContact CE1-CE 4.39Å; F411-M505 HydrophobicContact CE2-CE 4.45Å; F411-M505 HydrophobicContact CG-CE 4.06Å; F411-M505 HydrophobicContact CG-SD 4.48Å
412	L	97.6	Very high	96.6	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-43.3	179.1	-68.1	174.7	0	0	0	111.6	M377 A408 T409 F415 L416	M377-L412 HydrophobicContact CE-CD2 3.72Å; A408-L412 WeakPolarHBondContact O-CG 3.4Å; A408-L412 PolarHBondContact O-N 3.49Å; T409-L412 PolarHBondContact O-N 2.89Å; L412-F415 PolarHBondContact O-N 3.49Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.39Å; L412-L416 PolarHBondContact O-N 3.33Å
413	Y	98.1	Very high	96.8	Very high	113 Å²	113	55.3 Å²	55.3	44%	0.443	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-51.5	176	173.4	-97.1	0	0	0	111.4	T409 A410 F411 F415 L416 R417 Y494	T409-Y413 VanDerWaalsContact O-CB 3.32Å; T409-Y413 WeakPolarHBondContact O-CB 3.39Å; T409-Y413 PolarHBondContact O-N 3.26Å; A410-Y413 PolarHBondContact O-N 3.48Å; F411-Y413 VanDerWaalsContact C-N 3.33Å; F411-Y413 PolarHBondContact O-N 2.93Å; Y413-F415 PolarHBondContact O-N 3.3Å; Y413-L416 PolarHBondContact O-N 3.47Å; Y413-R417 HydrophobicContact CD1-CG 4.14Å; Y413-R417 HydrophobicContact CD2-CG 4.16Å; Y413-R417 HydrophobicContact CE1-CG 3.73Å; Y413-R417 HydrophobicContact CE2-CG 3.77Å; Y413-R417 HydrophobicContact CG-CG 4.34Å; Y413-R417 WeakPolarHBondContact O-CB 3.49Å; Y413-R417 VanDerWaalsContact O-CG 3.27Å; Y413-R417 WeakPolarHBondContact O-CG 3.29Å; Y413-R417 PolarHBondContact O-N 3.43Å; Y413-Y494 HydrophobicContact CE1-CE1 4.36Å
414	Y	98.4	Very high	96.8	Very high	57 Å²	57	51 Å²	51	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-32.4	-177.8	-68.2	-51.4	0	0	0	113	A410 F411 T418 Y494 L497	A410-Y414 HydrophobicContact CB-CD2 4.27Å; A410-Y414 HydrophobicContact CB-CE2 4.06Å; A410-Y414 WeakPolarHBondContact O-CB 3.38Å; A410-Y414 WeakPolarHBondContact O-CD2 3.49Å; A410-Y414 PolarHBondContact O-N 2.98Å; F411-Y414 PolarHBondContact O-N 2.99Å; Y414-T418 VanDerWaalsContact O-CB 3.25Å; Y414-T418 WeakPolarHBondContact O-CB 3.37Å; Y414-T418 PolarHBondContact O-N 2.98Å; Y414-T418 PolarHBondContact O-OG1 3.23Å; Y414-Y494 AromaticContact CD1-CD1 3.81Å; Y414-Y494 HydrophobicContact CD1-CD1 3.81Å; Y414-Y494 HydrophobicContact CE1-CD1 4.1Å; Y414-L497 HydrophobicContact CD1-CB 3.77Å; Y414-L497 HydrophobicContact CD1-CD1 4.21Å; Y414-L497 HydrophobicContact CD2-CB 3.7Å; Y414-L497 HydrophobicContact CE1-CB 3.76Å; Y414-L497 HydrophobicContact CE1-CD1 3.49Å; Y414-L497 VanDerWaalsContact CE1-CD1 3.49Å; Y414-L497 HydrophobicContact CE1-CG 4.24Å; Y414-L497 HydrophobicContact CE2-CB 3.7Å; Y414-L497 HydrophobicContact CE2-CD1 4.44Å; Y414-L497 HydrophobicContact CG-CB 3.76Å
415	F	97.7	Very high	96.8	Very high	23 Å²	23	53.8 Å²	53.8	10%	0.101	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-52.9	171.4	-177.2	-95	0	0	0	110.2	L376 M377 F411 L412 Y413 R417 T418 C419 T483 L498	L376-F415 HydrophobicContact CD2-CE2 4.3Å; M377-F415 HydrophobicContact CG-CD1 4.34Å; M377-F415 HydrophobicContact CG-CE1 3.67Å; M377-F415 HydrophobicContact CG-CE2 4.14Å; M377-F415 HydrophobicContact CG-CZ 3.55Å; M377-F415 HydrophobicContact SD-CD1 3.69Å; M377-F415 HydrophobicContact SD-CD2 4Å; M377-F415 HydrophobicContact SD-CE1 3.65Å; M377-F415 HydrophobicContact SD-CE2 3.97Å; M377-F415 HydrophobicContact SD-CG 3.87Å; M377-F415 HydrophobicContact SD-CZ 3.8Å; F411-F415 WeakPolarHBondContact O-CB 3.41Å; F411-F415 PolarHBondContact O-N 3Å; L412-F415 PolarHBondContact O-N 3.49Å; Y413-F415 PolarHBondContact O-N 3.3Å; F415-R417 PolarHBondContact O-N 3.3Å; F415-T418 PolarHBondContact O-N 3.37Å; F415-C419 PolarHBondContact O-N 3.5Å; F415-C419 PolarHBondContact O-SG 3.32Å; F415-T483 HydrophobicContact CD2-CG2 4.39Å; F415-T483 HydrophobicContact CE2-CG2 4.19Å; F415-L498 HydrophobicContact CB-CD1 3.79Å; F415-L498 HydrophobicContact CD2-CD1 4.26Å; F415-L498 HydrophobicContact CD2-CD2 4.19Å
416	L	96.6	Very high	96.8	Very high	81 Å²	81	50.9 Å²	50.9	42%	0.424	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-42.3	179.3	-69.2	177.4	0	0	0	112.5	L412 Y413 C419 R420	L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.39Å; L412-L416 PolarHBondContact O-N 3.33Å; Y413-L416 PolarHBondContact O-N 3.47Å; L416-C419 PolarHBondContact O-N 2.77Å; L416-R420 WeakPolarHBondContact O-CB 3.3Å; L416-R420 PolarHBondContact O-N 3.46Å
417	R	97.5	Very high	96.5	Very high	96 Å²	96	53.8 Å²	53.8	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-41.5	176.9	-71.4	-63.6	-64.1	-174.5	-0.9	111.6	Y413 F415 C419 T421 Y494	Y413-R417 HydrophobicContact CD1-CG 4.14Å; Y413-R417 HydrophobicContact CD2-CG 4.16Å; Y413-R417 HydrophobicContact CE1-CG 3.73Å; Y413-R417 HydrophobicContact CE2-CG 3.77Å; Y413-R417 HydrophobicContact CG-CG 4.34Å; Y413-R417 WeakPolarHBondContact O-CB 3.49Å; Y413-R417 VanDerWaalsContact O-CG 3.27Å; Y413-R417 WeakPolarHBondContact O-CG 3.29Å; Y413-R417 PolarHBondContact O-N 3.43Å; F415-R417 PolarHBondContact O-N 3.3Å; R417-C419 VanDerWaalsContact C-N 3.32Å; R417-C419 PolarHBondContact O-N 3.21Å; R417-T421 WeakPolarHBondContact O-CB 3.29Å; R417-T421 PolarHBondContact O-N 3.4Å; R417-T421 PolarHBondContact O-OG1 3.02Å; R417-Y494 HydrophobicContact CB-CD1 3.76Å; R417-Y494 HydrophobicContact CB-CD2 3.9Å; R417-Y494 HydrophobicContact CB-CE1 3.98Å; R417-Y494 HydrophobicContact CB-CE2 4.13Å; R417-Y494 HydrophobicContact CB-CG 3.7Å; R417-Y494 HydrophobicContact CG-CD1 4.29Å; R417-Y494 HydrophobicContact CG-CE1 4.07Å; R417-Y494 VanDerWaalsContact CZ-OH 3.31Å; R417-Y494 VanDerWaalsContact NE-CZ 3.26Å; R417-Y494 PolarHBondContact NE-OH 3.23Å; R417-Y494 PolarHBondContact NH2-OH 3.18Å
418	T	97.6	Very high	96.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-42.5	176.6	-59.7	0	0	0	0	111.4	Y414 F415 T483 I487 N491 Y494 F495	Y414-T418 VanDerWaalsContact O-CB 3.25Å; Y414-T418 WeakPolarHBondContact O-CB 3.37Å; Y414-T418 PolarHBondContact O-N 2.98Å; Y414-T418 PolarHBondContact O-OG1 3.23Å; F415-T418 PolarHBondContact O-N 3.37Å; T418-T483 HydrophobicContact CG2-CG2 3.96Å; T418-I487 HydrophobicContact CG2-CD1 3.69Å; T418-N491 PolarHBondContact O-ND2 3.48Å; T418-Y494 VanDerWaalsContact OG1-C 3.24Å; T418-Y494 WeakPolarHBondContact OG1-CB 3.15Å; T418-Y494 PolarHBondContact OG1-O 2.94Å; T418-F495 HydrophobicContact CG2-CB 3.99Å; T418-F495 HydrophobicContact CG2-CD2 4.02Å; T418-F495 PolarHBondContact OG1-N 3.21Å
419	C	95.1	Very high	95.8	Very high	40 Å²	40	57.3 Å²	57.3	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-74.7	-35	-178.5	-63.6	0	0	0	0	113.6	F415 L416 R417 T485	F415-C419 PolarHBondContact O-N 3.5Å; F415-C419 PolarHBondContact O-SG 3.32Å; L416-C419 PolarHBondContact O-N 2.77Å; R417-C419 VanDerWaalsContact C-N 3.32Å; R417-C419 PolarHBondContact O-N 3.21Å; C419-T485 HydrophobicContact CB-CG2 4.46Å
420	R	94.7	Very high	95.3	Very high	199 Å²	199	57.5 Å²	57.5	75%	0.751	27%	0.273	S	S	*	.	H	α-helix	trans	-98.7	-15.6	-173.1	-69.6	-166.3	164.2	116.5	1.6	115.2	L416	L416-R420 WeakPolarHBondContact O-CB 3.3Å; L416-R420 PolarHBondContact O-N 3.46Å
421	T	96.3	Very high	94.8	Very high	28 Å²	28	62.4 Å²	62.4	17%	0.172	29%	0.291	C	S	.	.	S	Bend	trans	-79.4	127.5	177.2	-55.1	0	0	0	0	108.9	R417 P423 N491 Y494	R417-T421 WeakPolarHBondContact O-CB 3.29Å; R417-T421 PolarHBondContact O-N 3.4Å; R417-T421 PolarHBondContact O-OG1 3.02Å; T421-P423 WeakPolarHBondContact O-CD 3.47Å; T421-P423 VanDerWaalsContact O-N 3.16Å; T421-N491 HydrophobicContact CG2-CB 4.06Å; T421-Y494 HydrophobicContact CG2-CD2 4.49Å; T421-Y494 HydrophobicContact CG2-CE2 4.26Å
422	D	95.6	Very high	94.4	Very high	45 Å²	45	67.1 Å²	67.1	24%	0.241	31%	0.313	C	S	.	.			trans	-53.3	119	169.2	171.4	13.8	0	0	0	109	G424 F425 R490	D422-G424 PolarHBondContact O-N 3.36Å; D422-G424 VanDerWaalsContact O-N 3.14Å; D422-G424 PolarHBondContact OD1-N 3.23Å; D422-F425 WeakPolarHBondContact OD1-CD2 3.48Å; D422-F425 PolarHBondContact OD1-N 2.94Å; D422-R490 WeakPolarHBondContact O-CB 3.22Å; D422-R490 IonicContact OD2-NH1 3.56Å; D422-R490 PolarHBondContact OD2-NH1 2.95Å
423	P	96.3	Very high	94	Very high	6 Å²	6	66.3 Å²	66.3	4%	0.039	31%	0.307	C	S	.	.			trans	-65.6	-14.4	-179.2	25.7	-33.8	0	0	0	113.5	T421 F425 V473 C486 G488 A489 R490	T421-P423 WeakPolarHBondContact O-CD 3.47Å; T421-P423 VanDerWaalsContact O-N 3.16Å; P423-F425 HydrophobicContact CG-CD1 4.1Å; P423-F425 HydrophobicContact CG-CD2 4.22Å; P423-F425 HydrophobicContact CG-CE1 3.71Å; P423-F425 HydrophobicContact CG-CE2 3.85Å; P423-F425 HydrophobicContact CG-CG 4.35Å; P423-F425 HydrophobicContact CG-CZ 3.59Å; P423-V473 HydrophobicContact CB-CG1 3.99Å; P423-V473 HydrophobicContact CG-CG1 4.25Å; P423-C486 HydrophobicContact CB-CB 4.3Å; P423-C486 VanDerWaalsContact CB-O 3.27Å; P423-C486 WeakPolarHBondContact CB-O 3.5Å; P423-C486 HydrophobicContact CG-CB 3.9Å; P423-G488 CarbonylContact O-C 3.53Å; P423-G488 WeakPolarHBondContact O-CA 3.35Å; P423-A489 PolarHBondContact O-N 3.46Å; P423-R490 PolarHBondContact O-N 3.5Å
424	G	95.5	Very high	93.6	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.307	C	S	.	.			trans	116.7	44.3	-172.8	0	0	0	0	0	111.3	D422 I426 A474	D422-G424 PolarHBondContact O-N 3.36Å; D422-G424 VanDerWaalsContact O-N 3.14Å; D422-G424 PolarHBondContact OD1-N 3.23Å; G424-I426 PolarHBondContact O-N 2.91Å; G424-A474 WeakPolarHBondContact O-CB 3.48Å; G424-A474 PolarHBondContact O-N 3.4Å
425	F	95.5	Very high	93.1	Very high	64 Å²	64	68.8 Å²	68.8	28%	0.281	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-59.4	131.5	175.6	-66.9	-51.1	0	0	0	111.1	D422 P423 K427 C469 T471 V473 C486	D422-F425 WeakPolarHBondContact OD1-CD2 3.48Å; D422-F425 PolarHBondContact OD1-N 2.94Å; P423-F425 HydrophobicContact CG-CD1 4.1Å; P423-F425 HydrophobicContact CG-CD2 4.22Å; P423-F425 HydrophobicContact CG-CE1 3.71Å; P423-F425 HydrophobicContact CG-CE2 3.85Å; P423-F425 HydrophobicContact CG-CG 4.35Å; P423-F425 HydrophobicContact CG-CZ 3.59Å; F425-K427 PolarHBondContact O-N 3.01Å; F425-C469 HydrophobicContact CE1-CB 4.11Å; F425-T471 HydrophobicContact CD1-CG2 3.17Å; F425-T471 HydrophobicContact CE1-CG2 3.25Å; F425-T471 HydrophobicContact CG-CG2 4.16Å; F425-T471 HydrophobicContact CZ-CG2 4.28Å; F425-V473 HydrophobicContact CD1-CG2 3.67Å; F425-V473 HydrophobicContact CE1-CG2 3.68Å; F425-C486 HydrophobicContact CE1-CB 4.35Å
426	I	94.6	Very high	92.6	Very high	21 Å²	21	69.7 Å²	69.7	11%	0.108	33%	0.33	C	S	.	.			trans	-78.9	114.5	175	-52.8	-49.3	0	0	0	107.9	G424 V457 P460 A463 C472 A474 T628	G424-I426 PolarHBondContact O-N 2.91Å; I426-V457 HydrophobicContact CG2-CB 4.35Å; I426-V457 HydrophobicContact CG2-CG1 4.49Å; I426-V457 HydrophobicContact CG2-CG2 4.01Å; I426-P460 HydrophobicContact CD1-CG 3.74Å; I426-P460 HydrophobicContact CG1-CG 4.2Å; I426-P460 HydrophobicContact CG2-CG 4.45Å; I426-A463 HydrophobicContact CG1-CB 4.44Å; I426-C472 HydrophobicContact CB-CB 3.94Å; I426-C472 HydrophobicContact CG1-CB 3.8Å; I426-C472 PolarHBondContact N-O 2.8Å; I426-A474 HydrophobicContact CD1-CB 3.89Å; I426-T628 HydrophobicContact CD1-CG2 4.16Å
427	K	90.8	Very high	92.2	Very high	165 Å²	165	65.9 Å²	65.9	72%	0.717	31%	0.31	S	S	*	.			trans	-106.7	137.4	179.3	-61.1	179.4	-175.7	177.7	0	109	F425	F425-K427 PolarHBondContact O-N 3.01Å
428	A	89.1	Confident	91.9	Very high	28 Å²	28	62.5 Å²	62.5	23%	0.231	30%	0.3	C	S	.	.			trans	-142.9	140.9	173.6	0	0	0	0	0	109.5	Q432 K433 V457	A428-Q432 HydrophobicContact CB-CB 4.15Å; A428-K433 HydrophobicContact CB-CG 4.02Å; A428-V457 HydrophobicContact CB-CG1 3.45Å; A428-V457 VanDerWaalsContact CB-CG1 3.45Å
429	T	90.4	Very high	91.5	Very high	68 Å²	68	64 Å²	64	42%	0.417	31%	0.309	S	S	.	.			trans	-72.8	165	169.7	77.3	0	0	0	0	110.5	E431 Q432 K433	T429-E431 VanDerWaalsContact CB-OE2 3.24Å; T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact O-N 3.4Å; T429-E431 PolarHBondContact OG1-N 3.33Å; T429-E431 PolarHBondContact OG1-OE2 2.92Å; T429-Q432 PolarHBondContact O-N 3.44Å; T429-Q432 VanDerWaalsContact O-N 3.16Å; T429-Q432 WeakPolarHBondContact OG1-CG 3.3Å; T429-Q432 PolarHBondContact OG1-N 3.46Å; T429-K433 WeakPolarHBondContact O-CG 3.38Å; T429-K433 PolarHBondContact O-N 2.85Å
430	E	87.1	Confident	91.1	Very high	80 Å²	80	62.5 Å²	62.5	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-36.9	176.9	-67	-53.6	129.4	0	0	111.9	K433 K434	E430-K433 PolarHBondContact O-N 3.5Å; E430-K433 IonicContact OE1-NZ 3.52Å; E430-K433 PolarHBondContact OE1-NZ 3.45Å; E430-K433 IonicContact OE2-NZ 2.75Å; E430-K434 WeakPolarHBondContact O-CG 3.42Å; E430-K434 PolarHBondContact O-N 3.44Å
431	E	88.1	Confident	90.8	Very high	133 Å²	133	53.2 Å²	53.2	62%	0.621	26%	0.264	S	S	*	.	H	α-helix	trans	-64.4	-43	175.5	-57.4	70.9	-151.6	0	0	111.1	T429 K434 M435	T429-E431 VanDerWaalsContact CB-OE2 3.24Å; T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact O-N 3.4Å; T429-E431 PolarHBondContact OG1-N 3.33Å; T429-E431 PolarHBondContact OG1-OE2 2.92Å; E431-K434 PolarHBondContact O-N 3.13Å; E431-M435 VanDerWaalsContact O-CB 3.31Å; E431-M435 WeakPolarHBondContact O-CB 3.3Å; E431-M435 PolarHBondContact O-N 2.92Å
432	Q	89.6	Confident	90.4	Very high	99 Å²	99	54.9 Å²	54.9	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-38.3	176.5	-71.2	175.3	-29	0	0	111.9	A428 T429 M435 N436	A428-Q432 HydrophobicContact CB-CB 4.15Å; T429-Q432 PolarHBondContact O-N 3.44Å; T429-Q432 VanDerWaalsContact O-N 3.16Å; T429-Q432 WeakPolarHBondContact OG1-CG 3.3Å; T429-Q432 PolarHBondContact OG1-N 3.46Å; Q432-M435 PolarHBondContact O-N 3.43Å; Q432-N436 VanDerWaalsContact O-CB 3.29Å; Q432-N436 WeakPolarHBondContact O-CB 3.23Å; Q432-N436 PolarHBondContact O-N 3.22Å; Q432-N436 PolarHBondContact O-ND2 3.45Å
433	K	89.6	Confident	89.9	Confident	47 Å²	47	54 Å²	54	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-49.8	174.5	-71.8	172.2	178.6	178.1	0	110.9	A428 T429 E430 N436 V437 C455 M456	A428-K433 HydrophobicContact CB-CG 4.02Å; T429-K433 WeakPolarHBondContact O-CG 3.38Å; T429-K433 PolarHBondContact O-N 2.85Å; E430-K433 PolarHBondContact O-N 3.5Å; E430-K433 IonicContact OE1-NZ 3.52Å; E430-K433 PolarHBondContact OE1-NZ 3.45Å; E430-K433 IonicContact OE2-NZ 2.75Å; K433-N436 PolarHBondContact O-N 3.44Å; K433-V437 WeakPolarHBondContact O-CG2 3.27Å; K433-V437 PolarHBondContact O-N 2.69Å; K433-V437 VanDerWaalsContact O-N 3.17Å; K433-C455 WeakPolarHBondContact CE-O 3.44Å; K433-M456 WeakPolarHBondContact CA-O 3.5Å; K433-M456 HydrophobicContact CB-CB 3.93Å; K433-M456 WeakPolarHBondContact CB-O 3.19Å; K433-M456 HydrophobicContact CD-CB 4.01Å; K433-M456 HydrophobicContact CG-CB 3.91Å; K433-M456 WeakPolarHBondContact CG-O 3.3Å
434	K	88.8	Confident	89.3	Confident	105 Å²	105	56.9 Å²	56.9	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-49.6	175.9	-68.2	-179.9	-177.7	-173.5	0	111.4	A194 E430 E431 N436 V437 V438	A194-K434 HydrophobicContact CB-CB 4.07Å; A194-K434 HydrophobicContact CB-CG 4.37Å; E430-K434 WeakPolarHBondContact O-CG 3.42Å; E430-K434 PolarHBondContact O-N 3.44Å; E431-K434 PolarHBondContact O-N 3.13Å; K434-N436 PolarHBondContact O-N 3.02Å; K434-V437 PolarHBondContact O-N 3.25Å; K434-V438 PolarHBondContact O-N 3.28Å
435	M	88.9	Confident	88.7	Confident	116 Å²	116	57.4 Å²	57.4	57%	0.571	30%	0.304	S	S	*	.	H	α-helix	trans	-59	-45	179.1	-174.4	61.7	71.9	0	0	112.2	E431 Q432 V437 V438 V439	E431-M435 VanDerWaalsContact O-CB 3.31Å; E431-M435 WeakPolarHBondContact O-CB 3.3Å; E431-M435 PolarHBondContact O-N 2.92Å; Q432-M435 PolarHBondContact O-N 3.43Å; M435-V437 VanDerWaalsContact C-N 3.29Å; M435-V437 PolarHBondContact O-N 3.13Å; M435-V438 PolarHBondContact O-N 3.43Å; M435-V439 HydrophobicContact CG-CG2 4.1Å; M435-V439 WeakPolarHBondContact O-CB 3.38Å; M435-V439 WeakPolarHBondContact O-CG2 3.2Å; M435-V439 PolarHBondContact O-N 2.9Å; M435-V439 HydrophobicContact SD-CG2 3.76Å
436	N	87.7	Confident	88.1	Confident	43 Å²	43	55.6 Å²	55.6	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-42.8	177.6	-76.7	-32.9	0	0	0	111.9	Q432 K433 K434 L440 R458	Q432-N436 VanDerWaalsContact O-CB 3.29Å; Q432-N436 WeakPolarHBondContact O-CB 3.23Å; Q432-N436 PolarHBondContact O-N 3.22Å; Q432-N436 PolarHBondContact O-ND2 3.45Å; K433-N436 PolarHBondContact O-N 3.44Å; K434-N436 PolarHBondContact O-N 3.02Å; N436-L440 VanDerWaalsContact O-CB 3.24Å; N436-L440 WeakPolarHBondContact O-CB 3.23Å; N436-L440 WeakPolarHBondContact O-CD1 3.38Å; N436-L440 WeakPolarHBondContact O-CG 3.41Å; N436-L440 PolarHBondContact O-N 3.39Å; N436-L440 VanDerWaalsContact O-N 3.07Å; N436-R458 HydrophobicContact CB-CB 4.5Å
437	V	88.4	Confident	87.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-51.8	177.3	175.3	0	0	0	0	110.4	A190 A194 K433 K434 M435 L440 A441 L446 F451 M456	A190-V437 HydrophobicContact CB-CG1 4.07Å; A190-V437 HydrophobicContact CB-CG2 4.44Å; A194-V437 HydrophobicContact CB-CB 3.97Å; A194-V437 HydrophobicContact CB-CG1 4.04Å; K433-V437 WeakPolarHBondContact O-CG2 3.27Å; K433-V437 PolarHBondContact O-N 2.69Å; K433-V437 VanDerWaalsContact O-N 3.17Å; K434-V437 PolarHBondContact O-N 3.25Å; M435-V437 VanDerWaalsContact C-N 3.29Å; M435-V437 PolarHBondContact O-N 3.13Å; V437-L440 PolarHBondContact O-N 3.02Å; V437-A441 WeakPolarHBondContact O-CB 3.37Å; V437-A441 PolarHBondContact O-N 2.88Å; V437-L446 HydrophobicContact CG1-CD1 4.49Å; V437-L446 HydrophobicContact CG1-CD2 4.36Å; V437-F451 HydrophobicContact CG2-CE1 4.35Å; V437-F451 HydrophobicContact CG2-CE2 3.72Å; V437-F451 HydrophobicContact CG2-CZ 3.42Å; V437-F451 VanDerWaalsContact CG2-CZ 3.42Å; V437-M456 HydrophobicContact CG2-CE 3.69Å
438	V	90.3	Very high	86.7	Confident	25 Å²	25	53.8 Å²	53.8	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-53	-177.5	175.2	0	0	0	0	110.6	A194 K195 K434 M435 L440 A441 E442	A194-V438 HydrophobicContact CB-CG2 3.69Å; K195-V438 HydrophobicContact CD-CG1 4.34Å; K195-V438 HydrophobicContact CD-CG2 3.96Å; K434-V438 PolarHBondContact O-N 3.28Å; M435-V438 PolarHBondContact O-N 3.43Å; V438-L440 PolarHBondContact O-N 3.48Å; V438-A441 PolarHBondContact O-N 2.91Å; V438-E442 HydrophobicContact CG1-CG 4.15Å; V438-E442 WeakPolarHBondContact CG1-OE1 3.43Å; V438-E442 VanDerWaalsContact O-CB 3.25Å; V438-E442 WeakPolarHBondContact O-CB 3.44Å; V438-E442 VanDerWaalsContact O-CG 3.31Å; V438-E442 WeakPolarHBondContact O-CG 3.4Å; V438-E442 PolarHBondContact O-N 3.39Å
439	V	88.4	Confident	86.4	Confident	32 Å²	32	62.5 Å²	62.5	19%	0.194	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-45.7	-178.1	172.4	0	0	0	0	111.2	M435 A443 F640 I643	M435-V439 HydrophobicContact CG-CG2 4.1Å; M435-V439 WeakPolarHBondContact O-CB 3.38Å; M435-V439 WeakPolarHBondContact O-CG2 3.2Å; M435-V439 PolarHBondContact O-N 2.9Å; M435-V439 HydrophobicContact SD-CG2 3.76Å; V439-A443 WeakPolarHBondContact O-CB 3.36Å; V439-A443 PolarHBondContact O-N 2.92Å; V439-F640 HydrophobicContact CG1-CE1 4.31Å; V439-F640 HydrophobicContact CG1-CZ 4.18Å; V439-I643 HydrophobicContact CG1-CD1 4.22Å
440	L	87.2	Confident	86.1	Confident	9 Å²	9	60.4 Å²	60.4	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-70.5	-38.8	179.9	-69.3	172.9	0	0	0	112.5	N436 V437 V438 A443 G444 C445 L446 V450 F451 R458	N436-L440 VanDerWaalsContact O-CB 3.24Å; N436-L440 WeakPolarHBondContact O-CB 3.23Å; N436-L440 WeakPolarHBondContact O-CD1 3.38Å; N436-L440 WeakPolarHBondContact O-CG 3.41Å; N436-L440 PolarHBondContact O-N 3.39Å; N436-L440 VanDerWaalsContact O-N 3.07Å; V437-L440 PolarHBondContact O-N 3.02Å; V438-L440 PolarHBondContact O-N 3.48Å; L440-A443 PolarHBondContact O-N 3.35Å; L440-G444 PolarHBondContact O-N 3.47Å; L440-C445 HydrophobicContact CD2-CB 4.19Å; L440-C445 CarbonylContact O-C 3.49Å; L440-C445 WeakPolarHBondContact O-CA 3.19Å; L440-C445 PolarHBondContact O-N 2.88Å; L440-L446 HydrophobicContact CB-CB 4.36Å; L440-L446 HydrophobicContact CB-CD1 3.87Å; L440-L446 HydrophobicContact CD1-CD1 4.41Å; L440-L446 PolarHBondContact O-N 3.37Å; L440-L446 VanDerWaalsContact O-N 3.13Å; L440-V450 HydrophobicContact CD2-CG1 4.19Å; L440-F451 HydrophobicContact CD1-CB 4.08Å; L440-F451 HydrophobicContact CD1-CD2 3.83Å; L440-F451 HydrophobicContact CD1-CG 4.35Å; L440-R458 HydrophobicContact CD1-CB 4.02Å; L440-R458 HydrophobicContact CD1-CG 4.03Å
441	A	87.8	Confident	86.2	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-51.1	178.3	0	0	0	0	0	110.5	L153 I157 Y191 V437 V438 A443 G444 L446	L153-A441 HydrophobicContact CD2-CB 4.37Å; I157-A441 VanDerWaalsContact CD1-C 3.48Å; I157-A441 HydrophobicContact CD1-CB 3.94Å; I157-A441 WeakPolarHBondContact CD1-O 3.48Å; Y191-A441 HydrophobicContact CD2-CB 3.58Å; Y191-A441 HydrophobicContact CE2-CB 4.12Å; Y191-A441 HydrophobicContact CG-CB 4.38Å; V437-A441 WeakPolarHBondContact O-CB 3.37Å; V437-A441 PolarHBondContact O-N 2.88Å; V438-A441 PolarHBondContact O-N 2.91Å; A441-A443 PolarHBondContact O-N 3.12Å; A441-G444 PolarHBondContact O-N 3.46Å; A441-L446 HydrophobicContact CB-CB 4.3Å; A441-L446 HydrophobicContact CB-CD2 4.1Å
442	E	88.6	Confident	86.2	Confident	62 Å²	62	50.8 Å²	50.8	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-27	179.9	-70.9	-159.7	-163.5	0	0	112.9	I157 R161 Y191 K195 V438 G444	I157-E442 HydrophobicContact CG2-CG 3.96Å; R161-E442 IonicContact CZ-OE2 3.64Å; R161-E442 IonicContact NE-OE2 3.54Å; R161-E442 IonicContact NH2-OE2 2.72Å; R161-E442 PolarHBondContact NH2-OE2 3.36Å; Y191-E442 HydrophobicContact CE2-CG 4.11Å; K195-E442 IonicContact NZ-OE1 3.54Å; K195-E442 PolarHBondContact NZ-OE1 3.15Å; V438-E442 HydrophobicContact CG1-CG 4.15Å; V438-E442 WeakPolarHBondContact CG1-OE1 3.43Å; V438-E442 VanDerWaalsContact O-CB 3.25Å; V438-E442 WeakPolarHBondContact O-CB 3.44Å; V438-E442 VanDerWaalsContact O-CG 3.31Å; V438-E442 WeakPolarHBondContact O-CG 3.4Å; V438-E442 PolarHBondContact O-N 3.39Å; E442-G444 VanDerWaalsContact C-N 3.3Å
443	A	85.1	Confident	85.8	Confident	26 Å²	26	49.3 Å²	49.3	22%	0.215	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.5	170.6	0	0	0	0	0	114.5	V439 L440 A441 C445 L639	V439-A443 WeakPolarHBondContact O-CB 3.36Å; V439-A443 PolarHBondContact O-N 2.92Å; L440-A443 PolarHBondContact O-N 3.35Å; A441-A443 PolarHBondContact O-N 3.12Å; A443-C445 HydrophobicContact CB-CB 4.24Å; A443-C445 PolarHBondContact O-N 3.29Å; A443-C445 PolarHBondContact O-SG 3.07Å; A443-L639 HydrophobicContact CB-CD1 3.86Å; A443-L639 HydrophobicContact CB-CD2 3.59Å; A443-L639 HydrophobicContact CB-CG 4.3Å
444	G	84.2	Confident	85.5	Confident	68 Å²	68	49 Å²	49	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	22.4	-173.9	0	0	0	0	0	113.9	L440 A441 E442	L440-G444 PolarHBondContact O-N 3.47Å; A441-G444 PolarHBondContact O-N 3.46Å; E442-G444 VanDerWaalsContact C-N 3.3Å
445	C	82.6	Confident	85.5	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.074	26%	0.255	C	S	.	.			trans	-116	10.7	-171.8	-69.4	0	0	0	0	113.9	L440 A443 D447	L440-C445 HydrophobicContact CD2-CB 4.19Å; L440-C445 CarbonylContact O-C 3.49Å; L440-C445 WeakPolarHBondContact O-CA 3.19Å; L440-C445 PolarHBondContact O-N 2.88Å; A443-C445 HydrophobicContact CB-CB 4.24Å; A443-C445 PolarHBondContact O-N 3.29Å; A443-C445 PolarHBondContact O-SG 3.07Å; C445-D447 PolarHBondContact O-N 3.33Å
446	L	82.9	Confident	85.4	Confident	26 Å²	26	40 Å²	40	14%	0.136	23%	0.231	C	C	.	.			trans	-74.3	64	175.1	-162.5	74	0	0	0	111.3	L153 A187 V437 L440 A441 F451	L153-L446 HydrophobicContact CD2-CB 4.34Å; L153-L446 HydrophobicContact CD2-CD2 3.86Å; A187-L446 HydrophobicContact CB-CD2 4Å; V437-L446 HydrophobicContact CG1-CD1 4.49Å; V437-L446 HydrophobicContact CG1-CD2 4.36Å; L440-L446 HydrophobicContact CB-CB 4.36Å; L440-L446 HydrophobicContact CB-CD1 3.87Å; L440-L446 HydrophobicContact CD1-CD1 4.41Å; L440-L446 PolarHBondContact O-N 3.37Å; L440-L446 VanDerWaalsContact O-N 3.13Å; A441-L446 HydrophobicContact CB-CB 4.3Å; A441-L446 HydrophobicContact CB-CD2 4.1Å; L446-F451 HydrophobicContact CD1-CB 4.03Å; L446-F451 HydrophobicContact CD1-CD1 3.73Å; L446-F451 HydrophobicContact CD1-CD2 3.97Å; L446-F451 HydrophobicContact CD1-CE1 4.13Å; L446-F451 HydrophobicContact CD1-CE2 4.36Å; L446-F451 HydrophobicContact CD1-CG 3.64Å; L446-F451 HydrophobicContact CD1-CZ 4.44Å; L446-F451 HydrophobicContact CG-CD1 4.4Å
447	D	79.4	Confident	85.5	Confident	53 Å²	53	38 Å²	38	28%	0.283	22%	0.221	S	C	.	.			trans	-101.9	137.7	176.7	172.6	-1.4	0	0	0	109.1	C445 R449 V450 F451	C445-D447 PolarHBondContact O-N 3.33Å; D447-R449 PolarHBondContact O-N 3Å; D447-R449 WeakPolarHBondContact OD1-CG 3.05Å; D447-R449 PolarHBondContact OD1-N 2.85Å; D447-R449 VanDerWaalsContact OD2-CD 3.3Å; D447-R449 WeakPolarHBondContact OD2-CD 3.26Å; D447-R449 WeakPolarHBondContact OD2-CG 3.42Å; D447-R449 IonicContact OD2-NE 3.37Å; D447-V450 PolarHBondContact O-N 3.38Å; D447-F451 PolarHBondContact O-N 3.44Å
448	P	77.6	Confident	85.5	Confident	94 Å²	94	39.4 Å²	39.4	61%	0.61	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-21.2	169.4	-30.6	34.3	0	0	0	116.3	F451 K459	P448-F451 CarbonylContact C-O 3.55Å; P448-F451 WeakPolarHBondContact CA-O 3.36Å; P448-F451 VanDerWaalsContact O-O 3.08Å; P448-K459 PolarHBondContact O-NZ 3.11Å
449	R	81	Confident	85.4	Confident	212 Å²	212	40.7 Å²	40.7	80%	0.8	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-35.3	173.2	-63	179.2	-168.5	-175.1	3.3	113.6	D447	D447-R449 PolarHBondContact O-N 3Å; D447-R449 WeakPolarHBondContact OD1-CG 3.05Å; D447-R449 PolarHBondContact OD1-N 2.85Å; D447-R449 VanDerWaalsContact OD2-CD 3.3Å; D447-R449 WeakPolarHBondContact OD2-CD 3.26Å; D447-R449 WeakPolarHBondContact OD2-CG 3.42Å; D447-R449 IonicContact OD2-NE 3.37Å
450	V	85.2	Confident	85.6	Confident	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-20.5	-174	-171	0	0	0	0	111.3	L440 D447 R458 K459	L440-V450 HydrophobicContact CD2-CG1 4.19Å; D447-V450 PolarHBondContact O-N 3.38Å; V450-R458 HydrophobicContact CG1-CG 4.3Å; V450-R458 CarbonylContact O-C 3.58Å; V450-R458 WeakPolarHBondContact O-CA 3.31Å; V450-K459 PolarHBondContact O-N 2.9Å
451	F	88.4	Confident	85.5	Confident	6 Å²	6	41 Å²	41	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.8	-179.1	-175.9	-108.6	0	0	0	111.5	V437 L440 L446 D447 P448 T453 M456 V457 K459	V437-F451 HydrophobicContact CG2-CE1 4.35Å; V437-F451 HydrophobicContact CG2-CE2 3.72Å; V437-F451 HydrophobicContact CG2-CZ 3.42Å; V437-F451 VanDerWaalsContact CG2-CZ 3.42Å; L440-F451 HydrophobicContact CD1-CB 4.08Å; L440-F451 HydrophobicContact CD1-CD2 3.83Å; L440-F451 HydrophobicContact CD1-CG 4.35Å; L446-F451 HydrophobicContact CD1-CB 4.03Å; L446-F451 HydrophobicContact CD1-CD1 3.73Å; L446-F451 HydrophobicContact CD1-CD2 3.97Å; L446-F451 HydrophobicContact CD1-CE1 4.13Å; L446-F451 HydrophobicContact CD1-CE2 4.36Å; L446-F451 HydrophobicContact CD1-CG 3.64Å; L446-F451 HydrophobicContact CD1-CZ 4.44Å; L446-F451 HydrophobicContact CG-CD1 4.4Å; D447-F451 PolarHBondContact O-N 3.44Å; P448-F451 CarbonylContact C-O 3.55Å; P448-F451 WeakPolarHBondContact CA-O 3.36Å; P448-F451 VanDerWaalsContact O-O 3.08Å; F451-T453 HydrophobicContact CD1-CG2 3.95Å; F451-T453 HydrophobicContact CE1-CG2 3.94Å; F451-M456 HydrophobicContact CE1-SD 4.12Å; F451-M456 VanDerWaalsContact CE2-C 3.49Å; F451-M456 HydrophobicContact CZ-CB 4.3Å; F451-M456 HydrophobicContact CZ-CE 4.33Å; F451-M456 HydrophobicContact CZ-SD 3.76Å; F451-V457 WeakPolarHBondContact CD2-O 3.47Å; F451-K459 VanDerWaalsContact O-CE 3.31Å; F451-K459 WeakPolarHBondContact O-CE 3.47Å; F451-K459 PolarHBondContact O-NZ 3.41Å
452	C	87.8	Confident	85.7	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.2	169.7	-174.8	0	0	0	0	109.1	S454 C455 M456 V457 K459	C452-S454 VanDerWaalsContact C-N 3.28Å; C452-S454 PolarHBondContact O-N 2.95Å; C452-C455 HydrophobicContact CB-CB 4.2Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 PolarHBondContact SG-N 2.91Å; C452-C455 VanDerWaalsContact SG-N 3.44Å; C452-M456 VanDerWaalsContact O-CA 3.23Å; C452-M456 WeakPolarHBondContact O-CA 3.29Å; C452-M456 PolarHBondContact O-N 2.91Å; C452-V457 HydrophobicContact CB-CG2 4.27Å; C452-V457 PolarHBondContact N-O 3.3Å; C452-V457 PolarHBondContact O-N 3.02Å; C452-K459 HydrophobicContact CB-CD 4.31Å; C452-K459 HydrophobicContact CB-CG 3.94Å
453	T	82.6	Confident	85.9	Confident	68 Å²	68	39.5 Å²	39.5	42%	0.417	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	176.1	49.7	0	0	0	0	112.6	F451 M456	F451-T453 HydrophobicContact CD1-CG2 3.95Å; F451-T453 HydrophobicContact CE1-CG2 3.94Å; T453-M456 VanDerWaalsContact O-SD 3.38Å
454	S	83.3	Confident	86.3	Confident	39 Å²	39	40.7 Å²	40.7	27%	0.273	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-38.6	179.2	-48.1	0	0	0	0	113.1	C452	C452-S454 VanDerWaalsContact C-N 3.28Å; C452-S454 PolarHBondContact O-N 2.95Å
455	C	87.8	Confident	86.7	Confident	19 Å²	19	38.3 Å²	38.3	13%	0.128	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.2	179.7	-63.4	0	0	0	0	113	K433 C452 V457 H465 C472	K433-C455 WeakPolarHBondContact CE-O 3.44Å; C452-C455 HydrophobicContact CB-CB 4.2Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 PolarHBondContact SG-N 2.91Å; C452-C455 VanDerWaalsContact SG-N 3.44Å; C455-V457 HydrophobicContact CB-CG1 4.35Å; C455-V457 HydrophobicContact CB-CG2 3.75Å; C455-V457 WeakPolarHBondContact O-CG1 3.47Å; C455-V457 PolarHBondContact O-N 3.32Å; C455-H465 PolarHBondContact SG-ND1 2.97Å; C455-C472 PolarHBondContact SG-N 3.27Å; C455-C472 VanDerWaalsContact SG-N 3.39Å
456	M	86.8	Confident	87.3	Confident	13 Å²	13	38.1 Å²	38.1	6%	0.064	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.6	-172.3	-61.3	-68.3	-77.3	0	0	113.5	A190 F225 K433 V437 F451 C452 T453	A190-M456 HydrophobicContact CB-CE 3.81Å; A190-M456 HydrophobicContact CB-SD 4.47Å; F225-M456 HydrophobicContact CE2-SD 4.17Å; K433-M456 WeakPolarHBondContact CA-O 3.5Å; K433-M456 HydrophobicContact CB-CB 3.93Å; K433-M456 WeakPolarHBondContact CB-O 3.19Å; K433-M456 HydrophobicContact CD-CB 4.01Å; K433-M456 HydrophobicContact CG-CB 3.91Å; K433-M456 WeakPolarHBondContact CG-O 3.3Å; V437-M456 HydrophobicContact CG2-CE 3.69Å; F451-M456 HydrophobicContact CE1-SD 4.12Å; F451-M456 VanDerWaalsContact CE2-C 3.49Å; F451-M456 HydrophobicContact CZ-CB 4.3Å; F451-M456 HydrophobicContact CZ-CE 4.33Å; F451-M456 HydrophobicContact CZ-SD 3.76Å; C452-M456 VanDerWaalsContact O-CA 3.23Å; C452-M456 WeakPolarHBondContact O-CA 3.29Å; C452-M456 PolarHBondContact O-N 2.91Å; T453-M456 VanDerWaalsContact O-SD 3.38Å
457	V	89.3	Confident	87.6	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.4	-178.9	-58.3	0	0	0	0	111.7	I426 A428 F451 C452 C455 K459 C472	I426-V457 HydrophobicContact CG2-CB 4.35Å; I426-V457 HydrophobicContact CG2-CG1 4.49Å; I426-V457 HydrophobicContact CG2-CG2 4.01Å; A428-V457 HydrophobicContact CB-CG1 3.45Å; A428-V457 VanDerWaalsContact CB-CG1 3.45Å; F451-V457 WeakPolarHBondContact CD2-O 3.47Å; C452-V457 HydrophobicContact CB-CG2 4.27Å; C452-V457 PolarHBondContact N-O 3.3Å; C452-V457 PolarHBondContact O-N 3.02Å; C455-V457 HydrophobicContact CB-CG1 4.35Å; C455-V457 HydrophobicContact CB-CG2 3.75Å; C455-V457 WeakPolarHBondContact O-CG1 3.47Å; C455-V457 PolarHBondContact O-N 3.32Å; V457-K459 PolarHBondContact O-N 3.04Å; V457-C472 HydrophobicContact CG2-CB 4.44Å
458	R	89.3	Confident	88.1	Confident	29 Å²	29	47 Å²	47	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	123.5	160.3	-173.8	-179.8	177.7	170.7	3.5	108.6	N436 L440 V450 P460 F631 D636	N436-R458 HydrophobicContact CB-CB 4.5Å; L440-R458 HydrophobicContact CD1-CB 4.02Å; L440-R458 HydrophobicContact CD1-CG 4.03Å; V450-R458 HydrophobicContact CG1-CG 4.3Å; V450-R458 CarbonylContact O-C 3.58Å; V450-R458 WeakPolarHBondContact O-CA 3.31Å; R458-P460 VanDerWaalsContact O-CD 3.22Å; R458-P460 WeakPolarHBondContact O-CD 3.37Å; R458-F631 HydrophobicContact CB-CE1 4.19Å; R458-F631 HydrophobicContact CG-CD1 3.94Å; R458-F631 HydrophobicContact CG-CE1 3.68Å; R458-F631 VanDerWaalsContact NE-CD1 3.31Å; R458-D636 IonicContact CZ-OD1 3.41Å; R458-D636 IonicContact CZ-OD2 2.71Å; R458-D636 IonicContact NH1-OD1 3.48Å; R458-D636 PolarHBondContact NH1-OD1 3.16Å; R458-D636 IonicContact NH1-OD2 2.71Å; R458-D636 PolarHBondContact NH1-OD2 3.38Å; R458-D636 IonicContact NH2-OD1 3.8Å; R458-D636 PolarHBondContact NH2-OD1 3.27Å; R458-D636 IonicContact NH2-OD2 3.44Å; R458-D636 PolarHBondContact NH2-OD2 3.36Å
459	K	89.2	Confident	88.7	Confident	52 Å²	52	44.4 Å²	44.4	23%	0.226	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-72.5	118.9	178.8	-68.2	176.5	179.9	167.9	0	109.4	P448 V450 F451 C452 V457	P448-K459 PolarHBondContact O-NZ 3.11Å; V450-K459 PolarHBondContact O-N 2.9Å; F451-K459 VanDerWaalsContact O-CE 3.31Å; F451-K459 WeakPolarHBondContact O-CE 3.47Å; F451-K459 PolarHBondContact O-NZ 3.41Å; C452-K459 HydrophobicContact CB-CD 4.31Å; C452-K459 HydrophobicContact CB-CG 3.94Å; V457-K459 PolarHBondContact O-N 3.04Å
460	P	90.8	Very high	89.2	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.032	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-60.3	158.5	166.7	-23.5	36.4	0	0	0	111.1	I426 R458 R462 A463 W627 T628 Q630 F631	I426-P460 HydrophobicContact CD1-CG 3.74Å; I426-P460 HydrophobicContact CG1-CG 4.2Å; I426-P460 HydrophobicContact CG2-CG 4.45Å; R458-P460 VanDerWaalsContact O-CD 3.22Å; R458-P460 WeakPolarHBondContact O-CD 3.37Å; P460-R462 PolarHBondContact O-N 2.93Å; P460-A463 HydrophobicContact CB-CB 4.25Å; P460-A463 HydrophobicContact CG-CB 4.39Å; P460-A463 VanDerWaalsContact O-CB 3.26Å; P460-A463 WeakPolarHBondContact O-CB 3.33Å; P460-A463 PolarHBondContact O-N 2.82Å; P460-W627 WeakPolarHBondContact CB-O 3.46Å; P460-T628 WeakPolarHBondContact CG-O 3.34Å; P460-Q630 CarbonylContact C-O 3.43Å; P460-Q630 VanDerWaalsContact CA-O 3.25Å; P460-Q630 WeakPolarHBondContact CA-O 3.3Å; P460-Q630 WeakPolarHBondContact CB-O 3.36Å; P460-F631 HydrophobicContact CB-CE1 4.19Å; P460-F631 HydrophobicContact CG-CE1 4Å; P460-F631 HydrophobicContact CG-CZ 4.17Å
461	L	86.3	Confident	89.5	Confident	42 Å²	42	38.6 Å²	38.6	22%	0.22	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	125.3	174.5	-171	63.4	0	0	0	109	A463 F600 W627 Q630 Q632	L461-A463 VanDerWaalsContact C-N 3.28Å; L461-A463 PolarHBondContact O-N 3.23Å; L461-F600 HydrophobicContact CD1-CZ 4.4Å; L461-F600 HydrophobicContact CD2-CE1 4.2Å; L461-F600 HydrophobicContact CG-CE1 4.4Å; L461-F600 HydrophobicContact CG-CZ 4.46Å; L461-W627 HydrophobicContact CD2-CZ3 4.19Å; L461-W627 HydrophobicContact CG-CZ3 4.49Å; L461-Q630 HydrophobicContact CB-CB 4.08Å; L461-Q630 WeakPolarHBondContact CB-O 3.49Å; L461-Q630 PolarHBondContact N-O 2.95Å; L461-Q632 HydrophobicContact CD1-CG 3.79Å
462	R	90.9	Very high	89.8	Confident	23 Å²	23	38.3 Å²	38.3	9%	0.087	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	10	-177.2	-46.9	177.2	68.7	168.3	8.5	115.7	P460 K475 G573 E578 F600 W627	P460-R462 PolarHBondContact O-N 2.93Å; R462-K475 VanDerWaalsContact O-CA 3.25Å; R462-K475 WeakPolarHBondContact O-CA 3.47Å; R462-K475 PolarHBondContact O-N 3.37Å; R462-K475 VanDerWaalsContact O-N 3.08Å; R462-G573 PolarHBondContact NH2-O 3.39Å; R462-E578 WeakPolarHBondContact CB-OE1 3.32Å; R462-E578 WeakPolarHBondContact CD-OE1 3.48Å; R462-E578 WeakPolarHBondContact CG-OE1 3.46Å; R462-E578 IonicContact CZ-OE1 3.23Å; R462-E578 IonicContact CZ-OE2 3.32Å; R462-E578 IonicContact NE-OE1 2.74Å; R462-E578 PolarHBondContact NE-OE1 3.44Å; R462-E578 IonicContact NE-OE2 2.63Å; R462-E578 PolarHBondContact NE-OE2 3.4Å; R462-E578 IonicContact NH2-OE1 2.95Å; R462-E578 IonicContact NH2-OE2 3.35Å; R462-E578 PolarHBondContact NH2-OE2 3.36Å; R462-F600 HydrophobicContact CG-CE1 4.02Å; R462-F600 HydrophobicContact CG-CE2 4.28Å; R462-F600 HydrophobicContact CG-CZ 3.81Å; R462-W627 HydrophobicContact CG-CE3 4.21Å; R462-W627 HydrophobicContact CG-CZ3 4.11Å
463	A	93.6	Very high	90.3	Very high	12 Å²	12	38.1 Å²	38.1	10%	0.099	21%	0.21	C	C	.	.			trans	-80.1	140.9	172.2	0	0	0	0	0	111.5	I426 P460 L461 V473	I426-A463 HydrophobicContact CG1-CB 4.44Å; P460-A463 HydrophobicContact CB-CB 4.25Å; P460-A463 HydrophobicContact CG-CB 4.39Å; P460-A463 VanDerWaalsContact O-CB 3.26Å; P460-A463 WeakPolarHBondContact O-CB 3.33Å; P460-A463 PolarHBondContact O-N 2.82Å; L461-A463 VanDerWaalsContact C-N 3.28Å; L461-A463 PolarHBondContact O-N 3.23Å; A463-V473 WeakPolarHBondContact CA-O 3.3Å
464	V	92.9	Very high	90.9	Very high	50 Å²	50	34.9 Å²	34.9	30%	0.303	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.7	175.9	178.6	0	0	0	0	108.6	C472 V473 Q476 P577	V464-C472 WeakPolarHBondContact O-CA 3.23Å; V464-V473 PolarHBondContact N-O 2.94Å; V464-V473 VanDerWaalsContact N-O 3.15Å; V464-V473 PolarHBondContact O-N 2.87Å; V464-Q476 HydrophobicContact CB-CB 4.15Å; V464-Q476 VanDerWaalsContact CB-OE1 3.31Å; V464-Q476 PolarHBondContact O-OE1 3.49Å; V464-P577 HydrophobicContact CG2-CB 4.29Å
465	H	93	Very high	91.4	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.088	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.4	172.7	-179.2	86.1	0	0	0	109.4	C455 F467 D470 T471	C455-H465 PolarHBondContact SG-ND1 2.97Å; H465-F467 AromaticContact CD2-CD1 3.85Å; H465-F467 AromaticContact CD2-CE1 3.95Å; H465-D470 IonicContact CE1-OD1 2.9Å; H465-D470 PolarHBondContact CE1-OD1 2.79Å; H465-D470 VanDerWaalsContact CE1-OD1 3.23Å; H465-D470 IonicContact NE2-OD1 2.62Å; H465-D470 PolarHBondContact NE2-OD1 3.42Å; H465-T471 PolarHBondContact CE1-N 3.3Å
466	C	94.1	Very high	91.8	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.4	173.3	-178.8	0	0	0	0	109.7	S468 C469 D470 T471 V473 C486	C466-S468 VanDerWaalsContact C-N 3.3Å; C466-S468 PolarHBondContact O-N 3.17Å; C466-C469 HydrophobicContact CB-CB 4.03Å; C466-C469 CarbonylContact O-C 3.51Å; C466-C469 PolarHBondContact O-N 3.24Å; C466-D470 WeakPolarHBondContact O-CA 3.48Å; C466-D470 PolarHBondContact O-N 2.72Å; C466-T471 PolarHBondContact N-O 3.49Å; C466-T471 PolarHBondContact O-N 2.8Å; C466-V473 HydrophobicContact CB-CG2 4.45Å; C466-C486 WeakPolarHBondContact CB-SG 3.48Å; C466-C486 PolarHBondContact SG-SG 2.94Å
467	F	89.8	Confident	92.2	Very high	174 Å²	174	34.1 Å²	34.1	76%	0.763	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.6	178.1	-63.3	-74.3	0	0	0	113.4	H465 D470	H465-F467 AromaticContact CD2-CD1 3.85Å; H465-F467 AromaticContact CD2-CE1 3.95Å; F467-D470 PolarHBondContact O-N 3.08Å
468	S	90.3	Very high	92.6	Very high	93 Å²	93	35.7 Å²	35.7	65%	0.65	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-33.2	177.5	-51.6	0	0	0	0	113	C466	C466-S468 VanDerWaalsContact C-N 3.3Å; C466-S468 PolarHBondContact O-N 3.17Å
469	C	91	Very high	92.9	Very high	38 Å²	38	36.4 Å²	36.4	26%	0.257	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.5	176.4	-60.7	0	0	0	0	111.8	F425 C466 T471 H479 C486	F425-C469 HydrophobicContact CE1-CB 4.11Å; C466-C469 HydrophobicContact CB-CB 4.03Å; C466-C469 CarbonylContact O-C 3.51Å; C466-C469 PolarHBondContact O-N 3.24Å; C469-T471 HydrophobicContact CB-CG2 3.74Å; C469-T471 WeakPolarHBondContact O-CG2 3.32Å; C469-T471 PolarHBondContact O-N 3.47Å; C469-H479 PolarHBondContact SG-CE1 3.41Å; C469-H479 PolarHBondContact SG-ND1 3.44Å; C469-C486 WeakPolarHBondContact CB-SG 3.23Å; C469-C486 WeakPolarHBondContact SG-CB 3.41Å; C469-C486 CovalentContact SG-SG 2.09Å; C469-C486 PolarHBondContact SG-SG 3.48Å
470	D	90.3	Very high	93.2	Very high	85 Å²	85	34 Å²	34	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.4	43	-166.4	-162.7	26.9	0	0	0	114.6	K228 H465 C466 F467	K228-D470 WeakPolarHBondContact CE-OD2 3.4Å; K228-D470 VanDerWaalsContact NZ-CG 3.26Å; K228-D470 IonicContact NZ-OD1 3.12Å; K228-D470 PolarHBondContact NZ-OD1 3.34Å; K228-D470 IonicContact NZ-OD2 3.96Å; K228-D470 PolarHBondContact NZ-OD2 3.38Å; H465-D470 IonicContact CE1-OD1 2.9Å; H465-D470 PolarHBondContact CE1-OD1 2.79Å; H465-D470 VanDerWaalsContact CE1-OD1 3.23Å; H465-D470 IonicContact NE2-OD1 2.62Å; H465-D470 PolarHBondContact NE2-OD1 3.42Å; C466-D470 WeakPolarHBondContact O-CA 3.48Å; C466-D470 PolarHBondContact O-N 2.72Å; F467-D470 PolarHBondContact O-N 3.08Å
471	T	92.7	Very high	93.4	Very high	30 Å²	30	38 Å²	38	18%	0.184	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.7	-176.5	-171.7	0	0	0	0	112.5	F425 H465 C466 C469 V473	F425-T471 HydrophobicContact CD1-CG2 3.17Å; F425-T471 HydrophobicContact CE1-CG2 3.25Å; F425-T471 HydrophobicContact CG-CG2 4.16Å; F425-T471 HydrophobicContact CZ-CG2 4.28Å; H465-T471 PolarHBondContact CE1-N 3.3Å; C466-T471 PolarHBondContact N-O 3.49Å; C466-T471 PolarHBondContact O-N 2.8Å; C469-T471 HydrophobicContact CB-CG2 3.74Å; C469-T471 WeakPolarHBondContact O-CG2 3.32Å; C469-T471 PolarHBondContact O-N 3.47Å; T471-V473 HydrophobicContact CG2-CG2 4.41Å
472	C	94.8	Very high	93.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.7	172.6	-78.1	0	0	0	0	111	I426 C455 V457 V464	I426-C472 HydrophobicContact CB-CB 3.94Å; I426-C472 HydrophobicContact CG1-CB 3.8Å; I426-C472 PolarHBondContact N-O 2.8Å; C455-C472 PolarHBondContact SG-N 3.27Å; C455-C472 VanDerWaalsContact SG-N 3.39Å; V457-C472 HydrophobicContact CG2-CB 4.44Å; V464-C472 WeakPolarHBondContact O-CA 3.23Å
473	V	96.6	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	179.2	-178.6	0	0	0	0	109.1	P423 F425 A463 V464 C466 T471 Q476 C486	P423-V473 HydrophobicContact CB-CG1 3.99Å; P423-V473 HydrophobicContact CG-CG1 4.25Å; F425-V473 HydrophobicContact CD1-CG2 3.67Å; F425-V473 HydrophobicContact CE1-CG2 3.68Å; A463-V473 WeakPolarHBondContact CA-O 3.3Å; V464-V473 PolarHBondContact N-O 2.94Å; V464-V473 VanDerWaalsContact N-O 3.15Å; V464-V473 PolarHBondContact O-N 2.87Å; C466-V473 HydrophobicContact CB-CG2 4.45Å; T471-V473 HydrophobicContact CG2-CG2 4.41Å; V473-Q476 HydrophobicContact CB-CB 3.91Å; V473-Q476 HydrophobicContact CB-CG 4.01Å; V473-Q476 HydrophobicContact CG1-CB 4.08Å; V473-Q476 HydrophobicContact CG1-CG 4.2Å; V473-C486 HydrophobicContact CG2-CB 3.98Å
474	A	95.6	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	132.1	175.5	0	0	0	0	0	111.3	G424 I426 Q476 A489 W627 T628	G424-A474 WeakPolarHBondContact O-CB 3.48Å; G424-A474 PolarHBondContact O-N 3.4Å; I426-A474 HydrophobicContact CD1-CB 3.89Å; A474-Q476 PolarHBondContact O-N 3Å; A474-A489 HydrophobicContact CB-CB 4.21Å; A474-A489 WeakPolarHBondContact O-CB 3.14Å; A474-A489 PolarHBondContact O-N 3.46Å; A474-W627 HydrophobicContact CB-CB 4.13Å; A474-T628 HydrophobicContact CB-CG2 3.67Å
475	K	94.4	Very high	94.1	Very high	40 Å²	40	38.7 Å²	38.7	17%	0.174	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	46.6	-178.2	-163.9	-177.2	171.3	-175.8	0	111.2	R462 D477 G488 A489 T575 W627	R462-K475 VanDerWaalsContact O-CA 3.25Å; R462-K475 WeakPolarHBondContact O-CA 3.47Å; R462-K475 PolarHBondContact O-N 3.37Å; R462-K475 VanDerWaalsContact O-N 3.08Å; K475-D477 PolarHBondContact O-N 3.34Å; K475-G488 WeakPolarHBondContact O-CA 3.15Å; K475-A489 HydrophobicContact CB-CB 3.92Å; K475-T575 HydrophobicContact CG-CG2 3.57Å; K475-W627 HydrophobicContact CB-CB 4.3Å; K475-W627 HydrophobicContact CB-CG 4.23Å; K475-W627 HydrophobicContact CD-CG 4.3Å
476	Q	95.8	Very high	94.3	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.065	20%	0.201	C	C	.	.			trans	-61.5	123.1	-179.6	-168.2	-166.2	-16.6	0	0	109.6	V464 V473 A474 T575	V464-Q476 HydrophobicContact CB-CB 4.15Å; V464-Q476 VanDerWaalsContact CB-OE1 3.31Å; V464-Q476 PolarHBondContact O-OE1 3.49Å; V473-Q476 HydrophobicContact CB-CB 3.91Å; V473-Q476 HydrophobicContact CB-CG 4.01Å; V473-Q476 HydrophobicContact CG1-CB 4.08Å; V473-Q476 HydrophobicContact CG1-CG 4.2Å; A474-Q476 PolarHBondContact O-N 3Å; Q476-T575 VanDerWaalsContact O-CB 3.27Å; Q476-T575 WeakPolarHBondContact O-CB 3.41Å; Q476-T575 WeakPolarHBondContact O-CG2 3.49Å; Q476-T575 PolarHBondContact O-OG1 3.08Å
477	D	96.3	Very high	94.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.199	C	C	.	.			trans	-88.2	-57.8	170.5	-170.3	60.8	0	0	0	111.3	K475 I487 H492 Q565 T575 T576 P577	K475-D477 PolarHBondContact O-N 3.34Å; D477-I487 HydrophobicContact CB-CG2 4.47Å; D477-I487 PolarHBondContact N-O 3.39Å; D477-H492 IonicContact OD2-NE2 3.15Å; D477-Q565 PolarHBondContact OD2-NE2 2.99Å; D477-Q565 PolarHBondContact OD2-OE1 2.95Å; D477-T575 WeakPolarHBondContact OD1-CA 3.41Å; D477-T576 WeakPolarHBondContact O-CB 3.42Å; D477-T576 PolarHBondContact OD1-N 3.13Å; D477-T576 PolarHBondContact OD1-OG1 2.65Å; D477-T576 PolarHBondContact OD2-OG1 3.41Å; D477-P577 WeakPolarHBondContact O-CD 3.39Å
478	H	96.1	Very high	94.8	Very high	37 Å²	37	29.2 Å²	29.2	17%	0.171	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	172.8	176	61.3	-77.3	0	0	0	110.3	I487 F495	H478-I487 PolarHBondContact N-O 3.28Å; H478-I487 PolarHBondContact O-N 2.98Å; H478-F495 AromaticContact CE1-CE1 3.49Å; H478-F495 VanDerWaalsContact CE1-CE1 3.49Å; H478-F495 WeakPolarHBondContact CE1-CE1 3.35Å; H478-F495 AromaticContact CE1-CZ 3.8Å; H478-F495 AromaticContact NE2-CE1 3.72Å; H478-F495 AromaticContact NE2-CZ 3.51Å
479	H	96.3	Very high	95	Very high	43 Å²	43	26.4 Å²	26.4	20%	0.199	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.8	163.1	-170.7	98.3	0	0	0	108.1	C469 V481 C486	C469-H479 PolarHBondContact SG-CE1 3.41Å; C469-H479 PolarHBondContact SG-ND1 3.44Å; H479-V481 PolarHBondContact O-N 3.06Å; H479-C486 PolarHBondContact ND1-SG 3.22Å; H479-C486 VanDerWaalsContact ND1-SG 3.43Å
480	S	95.6	Very high	95.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.2	-175.3	160.9	0	0	0	0	110.2	W482 T483 N484 T485	S480-W482 VanDerWaalsContact C-N 3.27Å; S480-W482 PolarHBondContact O-N 2.71Å; S480-W482 PolarHBondContact OG-N 3.41Å; S480-T483 WeakPolarHBondContact CB-OG1 3.45Å; S480-T483 PolarHBondContact O-N 2.99Å; S480-T483 PolarHBondContact OG-N 3.15Å; S480-T483 PolarHBondContact OG-OG1 3.4Å; S480-N484 VanDerWaalsContact O-CA 3.25Å; S480-N484 WeakPolarHBondContact O-CA 3.47Å; S480-N484 PolarHBondContact O-N 2.67Å; S480-T485 PolarHBondContact N-O 3Å; S480-T485 PolarHBondContact O-N 3.48Å
481	V	94.3	Very high	95.4	Very high	89 Å²	89	25.5 Å²	25.5	54%	0.539	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34	175.1	178.5	0	0	0	0	111	P372 P373 H479 T483	P372-V481 HydrophobicContact CB-CG1 3.63Å; P372-V481 HydrophobicContact CG-CG1 3.59Å; P373-V481 WeakPolarHBondContact CD-O 3.44Å; H479-V481 PolarHBondContact O-N 3.06Å; V481-T483 VanDerWaalsContact C-N 3.34Å; V481-T483 PolarHBondContact O-N 2.63Å
482	W	95.3	Very high	95.6	Very high	58 Å²	58	24.5 Å²	24.5	22%	0.22	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.4	-176.8	-63.4	114.4	0	0	0	114.9	P372 P373 L376 S480 Y553 W557	P372-W482 HydrophobicContact CB-CE3 4.3Å; P372-W482 HydrophobicContact CB-CZ3 4.47Å; P373-W482 VanDerWaalsContact CA-O 3.31Å; P373-W482 WeakPolarHBondContact CA-O 3.29Å; P373-W482 VanDerWaalsContact CB-O 3.26Å; P373-W482 WeakPolarHBondContact CB-O 3.44Å; L376-W482 HydrophobicContact CB-CE3 4Å; L376-W482 HydrophobicContact CB-CZ3 4.41Å; L376-W482 HydrophobicContact CD2-CB 4.09Å; L376-W482 HydrophobicContact CD2-CE3 4.46Å; S480-W482 VanDerWaalsContact C-N 3.27Å; S480-W482 PolarHBondContact O-N 2.71Å; S480-W482 PolarHBondContact OG-N 3.41Å; W482-Y553 HydrophobicContact CH2-CE1 4.47Å; W482-W557 HydrophobicContact CB-CH2 4.43Å; W482-W557 AromaticContact CD1-CH2 3.6Å; W482-W557 AromaticContact CD1-CZ3 3.66Å; W482-W557 HydrophobicContact CD2-CH2 4.14Å; W482-W557 HydrophobicContact CD2-CZ2 4.12Å; W482-W557 AromaticContact CE2-CZ2 4Å; W482-W557 AromaticContact CG-CH2 3.83Å; W482-W557 HydrophobicContact CG-CH2 3.83Å; W482-W557 HydrophobicContact CG-CZ2 4.29Å; W482-W557 HydrophobicContact CG-CZ3 4.34Å; W482-W557 HydrophobicContact CZ2-CZ2 4.44Å; W482-W557 AromaticContact NE1-CE3 4Å; W482-W557 AromaticContact NE1-CH2 3.77Å; W482-W557 AromaticContact NE1-CZ3 3.71Å
483	T	95	Very high	95.7	Very high	7 Å²	7	28 Å²	28	4%	0.043	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-8.8	174.4	57.7	0	0	0	0	112.2	F415 T418 S480 V481 T485 L498	F415-T483 HydrophobicContact CD2-CG2 4.39Å; F415-T483 HydrophobicContact CE2-CG2 4.19Å; T418-T483 HydrophobicContact CG2-CG2 3.96Å; S480-T483 WeakPolarHBondContact CB-OG1 3.45Å; S480-T483 PolarHBondContact O-N 2.99Å; S480-T483 PolarHBondContact OG-N 3.15Å; S480-T483 PolarHBondContact OG-OG1 3.4Å; V481-T483 VanDerWaalsContact C-N 3.34Å; V481-T483 PolarHBondContact O-N 2.63Å; T483-T485 WeakPolarHBondContact CB-OG1 3.29Å; T483-T485 PolarHBondContact O-N 3.04Å; T483-T485 PolarHBondContact OG1-OG1 3.39Å; T483-L498 HydrophobicContact CG2-CD2 3.85Å
484	N	94.2	Very high	95.7	Very high	47 Å²	47	28.9 Å²	28.9	25%	0.251	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	42.2	-170.3	-164.2	29.9	0	0	0	112.2	S369 P373 S480	S369-N484 PolarHBondContact OG-ND2 3.26Å; S369-N484 VanDerWaalsContact OG-ND2 3.11Å; P373-N484 HydrophobicContact CG-CB 3.95Å; S480-N484 VanDerWaalsContact O-CA 3.25Å; S480-N484 WeakPolarHBondContact O-CA 3.47Å; S480-N484 PolarHBondContact O-N 2.67Å
485	T	94.9	Very high	95.8	Very high	29 Å²	29	29 Å²	29	18%	0.178	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.5	-179.8	57.2	0	0	0	0	111.8	C419 S480 T483	C419-T485 HydrophobicContact CB-CG2 4.46Å; S480-T485 PolarHBondContact N-O 3Å; S480-T485 PolarHBondContact O-N 3.48Å; T483-T485 WeakPolarHBondContact CB-OG1 3.29Å; T483-T485 PolarHBondContact O-N 3.04Å; T483-T485 PolarHBondContact OG1-OG1 3.39Å
486	C	97	Very high	96	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	135.4	168	-77.7	0	0	0	0	110.1	P423 F425 C466 C469 V473 H479 N491	P423-C486 HydrophobicContact CB-CB 4.3Å; P423-C486 VanDerWaalsContact CB-O 3.27Å; P423-C486 WeakPolarHBondContact CB-O 3.5Å; P423-C486 HydrophobicContact CG-CB 3.9Å; F425-C486 HydrophobicContact CE1-CB 4.35Å; C466-C486 WeakPolarHBondContact CB-SG 3.48Å; C466-C486 PolarHBondContact SG-SG 2.94Å; C469-C486 WeakPolarHBondContact CB-SG 3.23Å; C469-C486 WeakPolarHBondContact SG-CB 3.41Å; C469-C486 CovalentContact SG-SG 2.09Å; C469-C486 PolarHBondContact SG-SG 3.48Å; V473-C486 HydrophobicContact CG2-CB 3.98Å; H479-C486 PolarHBondContact ND1-SG 3.22Å; H479-C486 VanDerWaalsContact ND1-SG 3.43Å; C486-N491 PolarHBondContact O-ND2 3.24Å
487	I	97.9	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.1	172.6	-53.2	-53.5	0	0	0	107.9	T418 D477 H478 N491 H492 F495	T418-I487 HydrophobicContact CG2-CD1 3.69Å; D477-I487 HydrophobicContact CB-CG2 4.47Å; D477-I487 PolarHBondContact N-O 3.39Å; H478-I487 PolarHBondContact N-O 3.28Å; H478-I487 PolarHBondContact O-N 2.98Å; I487-N491 WeakPolarHBondContact CA-OD1 3.34Å; I487-H492 HydrophobicContact CG2-CB 3.93Å; I487-F495 HydrophobicContact CD1-CB 4.01Å; I487-F495 HydrophobicContact CD1-CD2 3.72Å; I487-F495 HydrophobicContact CD1-CE2 4.38Å; I487-F495 HydrophobicContact CD1-CG 3.92Å; I487-F495 HydrophobicContact CG1-CD1 4.49Å; I487-F495 HydrophobicContact CG1-CD2 4.11Å; I487-F495 HydrophobicContact CG1-CE2 4.44Å; I487-F495 HydrophobicContact CG1-CG 4.13Å; I487-F495 HydrophobicContact CG2-CB 4.11Å; I487-F495 HydrophobicContact CG2-CD1 4.28Å; I487-F495 HydrophobicContact CG2-CG 4.24Å
488	G	96.4	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.			trans	-149.8	-165.7	-172.2	0	0	0	0	0	113.7	P423 K475 R490 N491 H492	P423-G488 CarbonylContact O-C 3.53Å; P423-G488 WeakPolarHBondContact O-CA 3.35Å; K475-G488 WeakPolarHBondContact O-CA 3.15Å; G488-R490 PolarHBondContact O-N 3.24Å; G488-N491 PolarHBondContact N-OD1 2.6Å; G488-N491 PolarHBondContact O-N 3.15Å; G488-N491 PolarHBondContact O-OD1 3.45Å; G488-H492 VanDerWaalsContact O-CB 3.24Å; G488-H492 WeakPolarHBondContact O-CB 3.41Å; G488-H492 PolarHBondContact O-N 3.06Å; G488-H492 VanDerWaalsContact O-N 3.08Å
489	A	94.6	Very high	96.3	Very high	34 Å²	34	27.1 Å²	27.1	28%	0.281	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46	-37.3	-171.9	0	0	0	0	0	115.4	P423 A474 K475 W627	P423-A489 PolarHBondContact O-N 3.46Å; A474-A489 HydrophobicContact CB-CB 4.21Å; A474-A489 WeakPolarHBondContact O-CB 3.14Å; A474-A489 PolarHBondContact O-N 3.46Å; K475-A489 HydrophobicContact CB-CB 3.92Å; A489-W627 HydrophobicContact CB-CB 4.26Å
490	R	94.2	Very high	96.4	Very high	102 Å²	102	28.6 Å²	28.6	39%	0.385	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-15.8	-168.8	-69.3	178.8	-178.2	167.3	-0.4	115.1	D422 P423 G488 Y493 D626	D422-R490 WeakPolarHBondContact O-CB 3.22Å; D422-R490 IonicContact OD2-NH1 3.56Å; D422-R490 PolarHBondContact OD2-NH1 2.95Å; P423-R490 PolarHBondContact O-N 3.5Å; G488-R490 PolarHBondContact O-N 3.24Å; R490-Y493 WeakPolarHBondContact O-CE1 3.42Å; R490-D626 IonicContact NH2-OD1 2.69Å
491	N	96.3	Very high	96.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-4.7	-178.8	73.5	-15.3	0	0	0	114.5	T418 T421 C486 I487 G488 Y493 Y494 F495	T418-N491 PolarHBondContact O-ND2 3.48Å; T421-N491 HydrophobicContact CG2-CB 4.06Å; C486-N491 PolarHBondContact O-ND2 3.24Å; I487-N491 WeakPolarHBondContact CA-OD1 3.34Å; G488-N491 PolarHBondContact N-OD1 2.6Å; G488-N491 PolarHBondContact O-N 3.15Å; G488-N491 PolarHBondContact O-OD1 3.45Å; N491-Y493 VanDerWaalsContact C-N 3.32Å; N491-Y493 PolarHBondContact O-N 3.34Å; N491-Y494 WeakPolarHBondContact O-CB 3.27Å; N491-Y494 PolarHBondContact O-N 2.86Å; N491-Y494 VanDerWaalsContact O-N 3.1Å; N491-F495 PolarHBondContact O-N 2.91Å
492	H	96.5	Very high	96.7	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-38.1	-176.2	-166.8	-179.9	0	0	0	113.6	D477 I487 G488 Y494 F495 V496 Q565 F611	D477-H492 IonicContact OD2-NE2 3.15Å; I487-H492 HydrophobicContact CG2-CB 3.93Å; G488-H492 VanDerWaalsContact O-CB 3.24Å; G488-H492 WeakPolarHBondContact O-CB 3.41Å; G488-H492 PolarHBondContact O-N 3.06Å; G488-H492 VanDerWaalsContact O-N 3.08Å; H492-Y494 VanDerWaalsContact C-N 3.35Å; H492-Y494 PolarHBondContact O-N 3.03Å; H492-F495 WeakPolarHBondContact O-CB 3.29Å; H492-F495 PolarHBondContact O-N 3.13Å; H492-V496 WeakPolarHBondContact O-CG2 3.43Å; H492-V496 PolarHBondContact O-N 3.44Å; H492-Q565 PolarHBondContact CE1-OE1 3.41Å; H492-Q565 PolarHBondContact NE2-OE1 2.89Å; H492-F611 HydrophobicContact CB-CE2 3.94Å; H492-F611 HydrophobicContact CB-CZ 4.01Å; H492-F611 AromaticContact CG-CE2 3.64Å; H492-F611 AromaticContact CG-CZ 3.71Å; H492-F611 AromaticContact ND1-CE2 3.51Å
493	Y	95.6	Very high	96.8	Very high	74 Å²	74	22.5 Å²	22.5	29%	0.29	11%	0.113	S	C	.	.	H	α-helix	trans	-67.5	-34.5	177.5	71.6	-86.8	0	0	0	112.8	R490 N491 F495 V496 L497	R490-Y493 WeakPolarHBondContact O-CE1 3.42Å; N491-Y493 VanDerWaalsContact C-N 3.32Å; N491-Y493 PolarHBondContact O-N 3.34Å; Y493-F495 VanDerWaalsContact C-N 3.3Å; Y493-F495 PolarHBondContact O-N 2.84Å; Y493-V496 PolarHBondContact O-N 3.28Å; Y493-L497 HydrophobicContact CD2-CD1 4.29Å; Y493-L497 WeakPolarHBondContact O-CG 3.48Å; Y493-L497 PolarHBondContact O-N 3.43Å
494	Y	97.8	Very high	97	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-38.6	172.6	-66.9	-53	0	0	0	111.3	Y413 Y414 R417 T418 T421 N491 H492 L497 L498	Y413-Y494 HydrophobicContact CE1-CE1 4.36Å; Y414-Y494 AromaticContact CD1-CD1 3.81Å; Y414-Y494 HydrophobicContact CD1-CD1 3.81Å; Y414-Y494 HydrophobicContact CE1-CD1 4.1Å; R417-Y494 HydrophobicContact CB-CD1 3.76Å; R417-Y494 HydrophobicContact CB-CD2 3.9Å; R417-Y494 HydrophobicContact CB-CE1 3.98Å; R417-Y494 HydrophobicContact CB-CE2 4.13Å; R417-Y494 HydrophobicContact CB-CG 3.7Å; R417-Y494 HydrophobicContact CG-CD1 4.29Å; R417-Y494 HydrophobicContact CG-CE1 4.07Å; R417-Y494 VanDerWaalsContact CZ-OH 3.31Å; R417-Y494 VanDerWaalsContact NE-CZ 3.26Å; R417-Y494 PolarHBondContact NE-OH 3.23Å; R417-Y494 PolarHBondContact NH2-OH 3.18Å; T418-Y494 VanDerWaalsContact OG1-C 3.24Å; T418-Y494 WeakPolarHBondContact OG1-CB 3.15Å; T418-Y494 PolarHBondContact OG1-O 2.94Å; T421-Y494 HydrophobicContact CG2-CD2 4.49Å; T421-Y494 HydrophobicContact CG2-CE2 4.26Å; N491-Y494 WeakPolarHBondContact O-CB 3.27Å; N491-Y494 PolarHBondContact O-N 2.86Å; N491-Y494 VanDerWaalsContact O-N 3.1Å; H492-Y494 VanDerWaalsContact C-N 3.35Å; H492-Y494 PolarHBondContact O-N 3.03Å; Y494-L497 PolarHBondContact O-N 3.48Å; Y494-L498 VanDerWaalsContact O-CB 3.29Å; Y494-L498 WeakPolarHBondContact O-CB 3.48Å; Y494-L498 PolarHBondContact O-N 2.94Å
495	F	98	Very high	97.1	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-40.4	175.8	-179.1	-101.4	0	0	0	112.3	T418 H478 I487 N491 H492 Y493 L498 L499 Q565	T418-F495 HydrophobicContact CG2-CB 3.99Å; T418-F495 HydrophobicContact CG2-CD2 4.02Å; T418-F495 PolarHBondContact OG1-N 3.21Å; H478-F495 AromaticContact CE1-CE1 3.49Å; H478-F495 VanDerWaalsContact CE1-CE1 3.49Å; H478-F495 WeakPolarHBondContact CE1-CE1 3.35Å; H478-F495 AromaticContact CE1-CZ 3.8Å; H478-F495 AromaticContact NE2-CE1 3.72Å; H478-F495 AromaticContact NE2-CZ 3.51Å; I487-F495 HydrophobicContact CD1-CB 4.01Å; I487-F495 HydrophobicContact CD1-CD2 3.72Å; I487-F495 HydrophobicContact CD1-CE2 4.38Å; I487-F495 HydrophobicContact CD1-CG 3.92Å; I487-F495 HydrophobicContact CG1-CD1 4.49Å; I487-F495 HydrophobicContact CG1-CD2 4.11Å; I487-F495 HydrophobicContact CG1-CE2 4.44Å; I487-F495 HydrophobicContact CG1-CG 4.13Å; I487-F495 HydrophobicContact CG2-CB 4.11Å; I487-F495 HydrophobicContact CG2-CD1 4.28Å; I487-F495 HydrophobicContact CG2-CG 4.24Å; N491-F495 PolarHBondContact O-N 2.91Å; H492-F495 WeakPolarHBondContact O-CB 3.29Å; H492-F495 PolarHBondContact O-N 3.13Å; Y493-F495 VanDerWaalsContact C-N 3.3Å; Y493-F495 PolarHBondContact O-N 2.84Å; F495-L498 HydrophobicContact CD2-CD2 4.36Å; F495-L498 WeakPolarHBondContact O-CB 3.14Å; F495-L498 PolarHBondContact O-N 3.33Å; F495-L499 HydrophobicContact CD1-CD1 4.07Å; F495-L499 HydrophobicContact CE1-CD1 3.58Å; F495-L499 HydrophobicContact CE1-CG 4.18Å; F495-L499 HydrophobicContact CZ-CD1 4.06Å; F495-L499 HydrophobicContact CZ-CD2 4.32Å; F495-L499 HydrophobicContact CZ-CG 4.29Å; F495-L499 WeakPolarHBondContact O-CG 3.41Å; F495-L499 PolarHBondContact O-N 2.93Å; F495-Q565 HydrophobicContact CE1-CG 4.45Å
496	V	98.1	Very high	97.2	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-43.5	174.9	172.8	0	0	0	0	111.2	H492 Y493 L498 L499 L500 L562 Q565 L566 I569 F611 F612	H492-V496 WeakPolarHBondContact O-CG2 3.43Å; H492-V496 PolarHBondContact O-N 3.44Å; Y493-V496 PolarHBondContact O-N 3.28Å; V496-L498 VanDerWaalsContact C-N 3.34Å; V496-L499 PolarHBondContact O-N 3.42Å; V496-L500 PolarHBondContact O-N 2.9Å; V496-L562 HydrophobicContact CG1-CD1 3.78Å; V496-Q565 HydrophobicContact CG2-CB 4.36Å; V496-L566 HydrophobicContact CG1-CD2 3.91Å; V496-I569 HydrophobicContact CG2-CD1 3.71Å; V496-F611 HydrophobicContact CB-CE1 4.4Å; V496-F611 HydrophobicContact CG2-CE1 4.01Å; V496-F611 HydrophobicContact CG2-CZ 3.91Å; V496-F612 HydrophobicContact CG1-CE1 4.38Å; V496-F612 HydrophobicContact CG1-CZ 3.96Å
497	L	98	Very high	97.2	Very high	38 Å²	38	24.7 Å²	24.7	20%	0.199	13%	0.129	C	C	.	.	H	α-helix	trans	-69.7	-32	177.7	-66.8	168.6	0	0	0	112.4	Y414 Y493 Y494 L500 S501 F612	Y414-L497 HydrophobicContact CD1-CB 3.77Å; Y414-L497 HydrophobicContact CD1-CD1 4.21Å; Y414-L497 HydrophobicContact CD2-CB 3.7Å; Y414-L497 HydrophobicContact CE1-CB 3.76Å; Y414-L497 HydrophobicContact CE1-CD1 3.49Å; Y414-L497 VanDerWaalsContact CE1-CD1 3.49Å; Y414-L497 HydrophobicContact CE1-CG 4.24Å; Y414-L497 HydrophobicContact CE2-CB 3.7Å; Y414-L497 HydrophobicContact CE2-CD1 4.44Å; Y414-L497 HydrophobicContact CG-CB 3.76Å; Y493-L497 HydrophobicContact CD2-CD1 4.29Å; Y493-L497 WeakPolarHBondContact O-CG 3.48Å; Y493-L497 PolarHBondContact O-N 3.43Å; Y494-L497 PolarHBondContact O-N 3.48Å; L497-L500 HydrophobicContact CD2-CD2 4.4Å; L497-L500 PolarHBondContact O-N 3.1Å; L497-S501 WeakPolarHBondContact O-CB 3.46Å; L497-S501 PolarHBondContact O-N 3.24Å; L497-S501 PolarHBondContact O-OG 3.45Å; L497-S501 VanDerWaalsContact O-OG 3.06Å; L497-F612 HydrophobicContact CD2-CE1 4.37Å; L497-F612 HydrophobicContact CG-CE1 4.41Å
498	L	98.3	Very high	97.1	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-59.3	-51.4	169.4	170.8	62.6	0	0	0	110.6	F411 F415 T483 Y494 F495 V496 L500 S501 L502	F411-L498 HydrophobicContact CD2-CD1 3.58Å; F411-L498 HydrophobicContact CE2-CD1 3.38Å; F411-L498 HydrophobicContact CG-CD1 4.47Å; F411-L498 HydrophobicContact CZ-CD1 4.14Å; F415-L498 HydrophobicContact CB-CD1 3.79Å; F415-L498 HydrophobicContact CD2-CD1 4.26Å; F415-L498 HydrophobicContact CD2-CD2 4.19Å; T483-L498 HydrophobicContact CG2-CD2 3.85Å; Y494-L498 VanDerWaalsContact O-CB 3.29Å; Y494-L498 WeakPolarHBondContact O-CB 3.48Å; Y494-L498 PolarHBondContact O-N 2.94Å; F495-L498 HydrophobicContact CD2-CD2 4.36Å; F495-L498 WeakPolarHBondContact O-CB 3.14Å; F495-L498 PolarHBondContact O-N 3.33Å; V496-L498 VanDerWaalsContact C-N 3.34Å; L498-L500 PolarHBondContact O-N 2.81Å; L498-S501 WeakPolarHBondContact CA-OG 3.33Å; L498-S501 PolarHBondContact O-N 3.44Å; L498-S501 PolarHBondContact O-OG 3.37Å; L498-L502 WeakPolarHBondContact O-CB 3.12Å; L498-L502 PolarHBondContact O-N 3.03Å
499	L	98.4	Very high	97.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-46.9	177.8	-67.7	173.9	0	0	0	111.6	F495 V496 S501 L502 S503 W557 F561 L562 Q565	F495-L499 HydrophobicContact CD1-CD1 4.07Å; F495-L499 HydrophobicContact CE1-CD1 3.58Å; F495-L499 HydrophobicContact CE1-CG 4.18Å; F495-L499 HydrophobicContact CZ-CD1 4.06Å; F495-L499 HydrophobicContact CZ-CD2 4.32Å; F495-L499 HydrophobicContact CZ-CG 4.29Å; F495-L499 WeakPolarHBondContact O-CG 3.41Å; F495-L499 PolarHBondContact O-N 2.93Å; V496-L499 PolarHBondContact O-N 3.42Å; L499-S501 PolarHBondContact O-N 3.49Å; L499-L502 PolarHBondContact O-N 2.8Å; L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 3.47Å; L499-W557 HydrophobicContact CD2-CH2 4.28Å; L499-W557 HydrophobicContact CD2-CZ3 3.78Å; L499-F561 HydrophobicContact CD1-CB 4Å; L499-F561 HydrophobicContact CD2-CB 4.27Å; L499-L562 HydrophobicContact CB-CB 4.09Å; L499-L562 HydrophobicContact CB-CD1 4.18Å; L499-L562 HydrophobicContact CD1-CB 4.47Å; L499-Q565 HydrophobicContact CD1-CG 4.37Å
500	L	98.3	Very high	97.2	Very high	75 Å²	75	27.2 Å²	27.2	39%	0.393	13%	0.134	S	C	.	.	H	α-helix	trans	-57.3	-49.6	176.2	176.6	64.3	0	0	0	111.9	V496 L497 L498 L502 S503 M504 L562	V496-L500 PolarHBondContact O-N 2.9Å; L497-L500 HydrophobicContact CD2-CD2 4.4Å; L497-L500 PolarHBondContact O-N 3.1Å; L498-L500 PolarHBondContact O-N 2.81Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.38Å; L500-S503 PolarHBondContact O-N 3.44Å; L500-M504 HydrophobicContact CD1-CG 4.42Å; L500-M504 HydrophobicContact CD1-SD 4.29Å; L500-M504 HydrophobicContact CG-SD 4.26Å; L500-M504 WeakPolarHBondContact O-CG 3.32Å; L500-M504 PolarHBondContact O-N 3.4Å; L500-L562 HydrophobicContact CB-CD1 4.41Å; L500-L562 HydrophobicContact CB-CD2 4.05Å; L500-L562 HydrophobicContact CD1-CD2 3.97Å
501	S	98.3	Very high	97.3	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-37.8	-179.9	64.5	0	0	0	0	112.5	N407 F411 L497 L498 L499 M504 M505	N407-S501 PolarHBondContact ND2-O 3.25Å; N407-S501 VanDerWaalsContact ND2-O 3.13Å; N407-S501 PolarHBondContact OD1-O 3.04Å; F411-S501 VanDerWaalsContact CA-OG 3.28Å; F411-S501 WeakPolarHBondContact CA-OG 3.47Å; L497-S501 WeakPolarHBondContact O-CB 3.46Å; L497-S501 PolarHBondContact O-N 3.24Å; L497-S501 PolarHBondContact O-OG 3.45Å; L497-S501 VanDerWaalsContact O-OG 3.06Å; L498-S501 WeakPolarHBondContact CA-OG 3.33Å; L498-S501 PolarHBondContact O-N 3.44Å; L498-S501 PolarHBondContact O-OG 3.37Å; L499-S501 PolarHBondContact O-N 3.49Å; S501-M504 PolarHBondContact O-N 2.89Å; S501-M505 WeakPolarHBondContact O-CB 3.38Å; S501-M505 PolarHBondContact O-N 3.35Å
502	L	98.1	Very high	97.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-43.3	175.6	-179.1	57.2	0	0	0	112	L376 V380 F411 L498 L499 L500 M505 G506 H554 W557	L376-L502 HydrophobicContact CD1-CD2 4.12Å; V380-L502 HydrophobicContact CG2-CD1 4.38Å; F411-L502 HydrophobicContact CD2-CB 3.87Å; F411-L502 HydrophobicContact CD2-CD1 4.24Å; F411-L502 HydrophobicContact CE2-CB 3.84Å; F411-L502 HydrophobicContact CE2-CD1 3.79Å; F411-L502 HydrophobicContact CE2-CD2 4.32Å; F411-L502 HydrophobicContact CE2-CG 4.19Å; F411-L502 HydrophobicContact CZ-CD1 4.43Å; L498-L502 WeakPolarHBondContact O-CB 3.12Å; L498-L502 PolarHBondContact O-N 3.03Å; L499-L502 PolarHBondContact O-N 2.8Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.38Å; L502-M505 HydrophobicContact CD1-CE 3.66Å; L502-M505 PolarHBondContact O-N 2.88Å; L502-G506 PolarHBondContact O-N 3.36Å; L502-H554 HydrophobicContact CD1-CB 4.32Å; L502-W557 HydrophobicContact CD2-CH2 3.92Å; L502-W557 HydrophobicContact CD2-CZ2 3.68Å
503	S	97.9	Very high	97.1	Very high	13 Å²	13	27 Å²	27	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-42.9	176.5	-55	0	0	0	0	111.5	L499 L500 G506 G507 S558 T559	L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 3.47Å; L500-S503 PolarHBondContact O-N 3.44Å; S503-G506 PolarHBondContact O-N 2.91Å; S503-G507 PolarHBondContact O-N 3.49Å; S503-S558 WeakPolarHBondContact OG-CB 3.45Å; S503-S558 PolarHBondContact OG-OG 3.43Å; S503-T559 PolarHBondContact OG-N 3.17Å; S503-T559 PolarHBondContact OG-OG1 3.02Å
504	M	97.7	Very high	96.9	Very high	97 Å²	97	28.9 Å²	28.9	48%	0.478	14%	0.143	S	C	.	.	H	α-helix	trans	-64.3	-42.9	175	-71.8	179.3	71.2	0	0	112.2	N407 L500 S501 G506 G507 W508	N407-M504 WeakPolarHBondContact ND2-CB 3.33Å; L500-M504 HydrophobicContact CD1-CG 4.42Å; L500-M504 HydrophobicContact CD1-SD 4.29Å; L500-M504 HydrophobicContact CG-SD 4.26Å; L500-M504 WeakPolarHBondContact O-CG 3.32Å; L500-M504 PolarHBondContact O-N 3.4Å; S501-M504 PolarHBondContact O-N 2.89Å; M504-G506 VanDerWaalsContact C-N 3.33Å; M504-G506 PolarHBondContact O-N 3.22Å; M504-G507 PolarHBondContact O-N 3.27Å; M504-G507 VanDerWaalsContact O-N 3.15Å; M504-W508 VanDerWaalsContact O-CD1 3.23Å; M504-W508 PolarHBondContact O-N 3.5Å
505	M	96.5	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-43.1	178.2	-171.5	171.9	61.9	0	0	111.1	V380 M383 F404 N407 F411 S501 L502 G507 W508 M509	V380-M505 HydrophobicContact CB-CE 4.19Å; V380-M505 HydrophobicContact CG1-CE 3.64Å; V380-M505 HydrophobicContact CG1-SD 4.09Å; V380-M505 HydrophobicContact CG2-CE 3.54Å; M383-M505 HydrophobicContact CE-CE 4.09Å; M383-M505 HydrophobicContact CE-CG 4.26Å; F404-M505 HydrophobicContact CE2-CG 4.17Å; N407-M505 WeakPolarHBondContact OD1-CA 3.09Å; N407-M505 WeakPolarHBondContact OD1-CB 3.46Å; N407-M505 PolarHBondContact OD1-N 2.93Å; F411-M505 HydrophobicContact CD1-CE 4.13Å; F411-M505 HydrophobicContact CD2-CE 4.22Å; F411-M505 HydrophobicContact CE1-CE 4.39Å; F411-M505 HydrophobicContact CE2-CE 4.45Å; F411-M505 HydrophobicContact CG-CE 4.06Å; F411-M505 HydrophobicContact CG-SD 4.48Å; S501-M505 WeakPolarHBondContact O-CB 3.38Å; S501-M505 PolarHBondContact O-N 3.35Å; L502-M505 HydrophobicContact CD1-CE 3.66Å; L502-M505 PolarHBondContact O-N 2.88Å; M505-G507 VanDerWaalsContact C-N 3.32Å; M505-G507 PolarHBondContact O-N 2.87Å; M505-W508 PolarHBondContact O-N 2.76Å; M505-M509 WeakPolarHBondContact O-CG 3.26Å; M505-M509 PolarHBondContact O-N 3.43Å
506	G	97.1	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-38.8	174.3	0	0	0	0	0	112.7	L502 S503 M504 M509 I510 T555	L502-G506 PolarHBondContact O-N 3.36Å; S503-G506 PolarHBondContact O-N 2.91Å; M504-G506 VanDerWaalsContact C-N 3.33Å; M504-G506 PolarHBondContact O-N 3.22Å; G506-M509 PolarHBondContact O-N 2.97Å; G506-I510 WeakPolarHBondContact O-CB 3.47Å; G506-I510 WeakPolarHBondContact O-CD1 3.47Å; G506-I510 VanDerWaalsContact O-CG1 3.26Å; G506-I510 WeakPolarHBondContact O-CG1 3.3Å; G506-I510 PolarHBondContact O-N 2.71Å; G506-T555 VanDerWaalsContact CA-OG1 3.25Å; G506-T555 WeakPolarHBondContact CA-OG1 3.2Å
507	G	96.7	Very high	96	Very high	34 Å²	34	31.1 Å²	31.1	35%	0.351	16%	0.155	S	C	.	.	H	α-helix	trans	-60.2	-44.7	171.9	0	0	0	0	0	113.3	S503 M504 M505 I510 Y511	S503-G507 PolarHBondContact O-N 3.49Å; M504-G507 PolarHBondContact O-N 3.27Å; M504-G507 VanDerWaalsContact O-N 3.15Å; M505-G507 VanDerWaalsContact C-N 3.32Å; M505-G507 PolarHBondContact O-N 2.87Å; G507-I510 PolarHBondContact O-N 3.09Å; G507-Y511 PolarHBondContact O-N 3.13Å
508	W	96.6	Very high	95.6	Very high	55 Å²	55	33.2 Å²	33.2	21%	0.208	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-43.2	174.1	-73.2	120.6	0	0	0	112.4	W387 V400 L403 F404 M504 M505 I510 Y511 G512	W387-W508 HydrophobicContact CH2-CB 4.41Å; W387-W508 HydrophobicContact CZ3-CB 4.01Å; V400-W508 HydrophobicContact CB-CZ3 4.48Å; V400-W508 HydrophobicContact CG1-CE3 4.04Å; V400-W508 HydrophobicContact CG1-CH2 4.44Å; V400-W508 HydrophobicContact CG1-CZ3 3.69Å; V400-W508 HydrophobicContact CG2-CZ3 4.33Å; L403-W508 HydrophobicContact CB-CH2 4.33Å; L403-W508 HydrophobicContact CB-CZ2 3.81Å; L403-W508 HydrophobicContact CD1-CH2 4.23Å; L403-W508 HydrophobicContact CD1-CZ2 4.2Å; F404-W508 HydrophobicContact CD2-CB 3.59Å; F404-W508 AromaticContact CD2-CG 3.92Å; F404-W508 HydrophobicContact CD2-CG 3.92Å; F404-W508 HydrophobicContact CE2-CB 4.05Å; M504-W508 VanDerWaalsContact O-CD1 3.23Å; M504-W508 PolarHBondContact O-N 3.5Å; M505-W508 PolarHBondContact O-N 2.76Å; W508-I510 VanDerWaalsContact C-N 3.34Å; W508-I510 PolarHBondContact O-N 2.92Å; W508-Y511 HydrophobicContact CE3-CD1 4.26Å; W508-Y511 HydrophobicContact CZ3-CD1 4.49Å; W508-Y511 WeakPolarHBondContact O-CB 3.35Å; W508-Y511 PolarHBondContact O-N 2.9Å; W508-G512 PolarHBondContact O-N 3.32Å
509	M	97.1	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-40.8	177.9	-69.9	-55.3	-63.7	0	0	112.2	M383 W387 F391 F404 M505 G506 Y511 G512 C513 V547 S551	M383-M509 HydrophobicContact CB-CE 3.83Å; M383-M509 HydrophobicContact CB-CG 4.16Å; M383-M509 HydrophobicContact CB-SD 4.12Å; M383-M509 HydrophobicContact CE-CB 4.17Å; M383-M509 HydrophobicContact CE-CG 3.46Å; M383-M509 VanDerWaalsContact CE-CG 3.46Å; M383-M509 HydrophobicContact CG-CE 4.27Å; M383-M509 HydrophobicContact CG-CG 4.37Å; M383-M509 WeakPolarHBondContact O-CE 3.47Å; W387-M509 HydrophobicContact CB-SD 4.19Å; W387-M509 HydrophobicContact CE3-SD 3.81Å; F391-M509 HydrophobicContact CD2-CE 4.26Å; F391-M509 HydrophobicContact CE2-CE 3.54Å; F391-M509 HydrophobicContact CE2-SD 4.2Å; F391-M509 HydrophobicContact CZ-CE 4.37Å; F404-M509 HydrophobicContact CE2-SD 4.02Å; F404-M509 HydrophobicContact CZ-SD 4.1Å; M505-M509 WeakPolarHBondContact O-CG 3.26Å; M505-M509 PolarHBondContact O-N 3.43Å; G506-M509 PolarHBondContact O-N 2.97Å; M509-Y511 VanDerWaalsContact C-N 3.35Å; M509-G512 PolarHBondContact O-N 3.47Å; M509-C513 PolarHBondContact O-N 3.5Å; M509-C513 PolarHBondContact O-SG 3.35Å; M509-V547 HydrophobicContact CE-CG1 3.46Å; M509-V547 VanDerWaalsContact CE-CG1 3.46Å; M509-S551 WeakPolarHBondContact CB-OG 3.44Å
510	I	96.6	Very high	94.6	Very high	31 Å²	31	41 Å²	41	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-44.6	174.2	-72.4	164.3	0	0	0	110.8	G506 G507 W508 G512 C513 F514 F548	G506-I510 WeakPolarHBondContact O-CB 3.47Å; G506-I510 WeakPolarHBondContact O-CD1 3.47Å; G506-I510 VanDerWaalsContact O-CG1 3.26Å; G506-I510 WeakPolarHBondContact O-CG1 3.3Å; G506-I510 PolarHBondContact O-N 2.71Å; G507-I510 PolarHBondContact O-N 3.09Å; W508-I510 VanDerWaalsContact C-N 3.34Å; W508-I510 PolarHBondContact O-N 2.92Å; I510-G512 VanDerWaalsContact C-N 3.33Å; I510-G512 PolarHBondContact O-N 3.29Å; I510-C513 PolarHBondContact O-N 2.93Å; I510-F514 HydrophobicContact CG2-CD2 3.78Å; I510-F514 HydrophobicContact CG2-CE2 3.42Å; I510-F514 VanDerWaalsContact CG2-CE2 3.42Å; I510-F514 HydrophobicContact CG2-CZ 4.44Å; I510-F514 WeakPolarHBondContact O-CD2 3.38Å; I510-F514 PolarHBondContact O-N 3.37Å; I510-F548 HydrophobicContact CG1-CD2 4.33Å; I510-F548 HydrophobicContact CG1-CE2 4.3Å; I510-F548 HydrophobicContact CG2-CD2 4.46Å; I510-F548 HydrophobicContact CG2-CE2 3.95Å
511	Y	94.9	Very high	94	Very high	108 Å²	108	38.1 Å²	38.1	42%	0.424	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-41.9	174.2	169.5	-103.1	0	0	0	112.2	L395 V400 G507 W508 M509 F514 S515	L395-Y511 HydrophobicContact CD2-CD1 4.29Å; L395-Y511 HydrophobicContact CD2-CE1 3.75Å; L395-Y511 HydrophobicContact CG-CE1 4.49Å; V400-Y511 HydrophobicContact CG1-CE1 4.19Å; G507-Y511 PolarHBondContact O-N 3.13Å; W508-Y511 HydrophobicContact CE3-CD1 4.26Å; W508-Y511 HydrophobicContact CZ3-CD1 4.49Å; W508-Y511 WeakPolarHBondContact O-CB 3.35Å; W508-Y511 PolarHBondContact O-N 2.9Å; M509-Y511 VanDerWaalsContact C-N 3.35Å; Y511-F514 PolarHBondContact O-N 3.38Å; Y511-S515 WeakPolarHBondContact O-CB 3.36Å; Y511-S515 PolarHBondContact O-N 3.18Å; Y511-S515 PolarHBondContact O-OG 2.86Å
512	G	94.4	Very high	93.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.7	0	0	0	0	0	112.6	W508 M509 I510 F514 S515 Y516	W508-G512 PolarHBondContact O-N 3.32Å; M509-G512 PolarHBondContact O-N 3.47Å; I510-G512 VanDerWaalsContact C-N 3.33Å; I510-G512 PolarHBondContact O-N 3.29Å; G512-F514 PolarHBondContact O-N 2.9Å; G512-S515 PolarHBondContact O-N 2.83Å; G512-Y516 WeakPolarHBondContact O-CB 3.27Å; G512-Y516 PolarHBondContact O-N 3.2Å
513	C	94.4	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-47.2	175.1	-67.4	0	0	0	0	112.1	F391 M509 I510 S515 Y516 W517 V544 F548	F391-C513 HydrophobicContact CZ-CB 4.46Å; M509-C513 PolarHBondContact O-N 3.5Å; M509-C513 PolarHBondContact O-SG 3.35Å; I510-C513 PolarHBondContact O-N 2.93Å; C513-S515 VanDerWaalsContact C-N 3.35Å; C513-S515 PolarHBondContact O-N 3.22Å; C513-Y516 PolarHBondContact O-N 2.99Å; C513-W517 HydrophobicContact CB-CE3 4.39Å; C513-W517 HydrophobicContact CB-CH2 4.07Å; C513-W517 HydrophobicContact CB-CZ2 4.34Å; C513-W517 HydrophobicContact CB-CZ3 4.08Å; C513-W517 VanDerWaalsContact O-CD2 3.26Å; C513-W517 PolarHBondContact O-N 3.32Å; C513-V544 HydrophobicContact CB-CG1 4.06Å; C513-F548 HydrophobicContact CB-CB 4.19Å; C513-F548 HydrophobicContact CB-CD2 3.96Å
514	F	92.1	Very high	90.8	Very high	114 Å²	114	52 Å²	52	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-40.3	177.5	-73.7	-54.6	0	0	0	112.6	I510 Y511 G512 W517 A518 F548	I510-F514 HydrophobicContact CG2-CD2 3.78Å; I510-F514 HydrophobicContact CG2-CE2 3.42Å; I510-F514 VanDerWaalsContact CG2-CE2 3.42Å; I510-F514 HydrophobicContact CG2-CZ 4.44Å; I510-F514 WeakPolarHBondContact O-CD2 3.38Å; I510-F514 PolarHBondContact O-N 3.37Å; Y511-F514 PolarHBondContact O-N 3.38Å; G512-F514 PolarHBondContact O-N 2.9Å; F514-W517 AromaticContact CD1-CE3 3.9Å; F514-W517 HydrophobicContact CD1-CE3 3.9Å; F514-W517 HydrophobicContact CD1-CZ3 4.02Å; F514-W517 HydrophobicContact CE1-CE3 4.35Å; F514-W517 HydrophobicContact CE1-CZ3 4.07Å; F514-W517 PolarHBondContact O-N 3.48Å; F514-A518 WeakPolarHBondContact O-CB 3.49Å; F514-A518 PolarHBondContact O-N 2.96Å; F514-F548 HydrophobicContact CE1-CE2 4.41Å; F514-F548 HydrophobicContact CE2-CE2 4.14Å; F514-F548 AromaticContact CZ-CE2 3.86Å; F514-F548 HydrophobicContact CZ-CE2 3.86Å; F514-F548 HydrophobicContact CZ-CZ 4.33Å
515	S	91.7	Very high	89	Confident	28 Å²	28	53.5 Å²	53.5	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-44.7	177.8	-57	0	0	0	0	111.1	Y511 G512 C513 A518 S519	Y511-S515 WeakPolarHBondContact O-CB 3.36Å; Y511-S515 PolarHBondContact O-N 3.18Å; Y511-S515 PolarHBondContact O-OG 2.86Å; G512-S515 PolarHBondContact O-N 2.83Å; C513-S515 VanDerWaalsContact C-N 3.35Å; C513-S515 PolarHBondContact O-N 3.22Å; S515-A518 PolarHBondContact O-N 3.4Å; S515-S519 PolarHBondContact O-N 3.5Å; S515-S519 VanDerWaalsContact O-N 3.13Å; S515-S519 PolarHBondContact O-OG 3.33Å; S515-S519 VanDerWaalsContact O-OG 3.11Å
516	Y	92.9	Very high	87.2	Confident	32 Å²	32	62.9 Å²	62.9	13%	0.125	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-46.2	176.1	179.7	-89	0	0	0	112	W390 F391 G512 C513 A518 S519 H520 V544	W390-Y516 HydrophobicContact CB-CD2 4.36Å; W390-Y516 HydrophobicContact CB-CE2 4.38Å; W390-Y516 AromaticContact CD1-CE2 3.66Å; W390-Y516 AromaticContact CD1-CZ 3.89Å; W390-Y516 HydrophobicContact CG-CE2 4.43Å; F391-Y516 HydrophobicContact CE1-CG 4.4Å; G512-Y516 WeakPolarHBondContact O-CB 3.27Å; G512-Y516 PolarHBondContact O-N 3.2Å; C513-Y516 PolarHBondContact O-N 2.99Å; Y516-A518 VanDerWaalsContact C-N 3.3Å; Y516-A518 PolarHBondContact O-N 2.89Å; Y516-S519 PolarHBondContact O-N 3.45Å; Y516-S519 PolarHBondContact O-OG 3.08Å; Y516-H520 AromaticContact CD2-ND1 3.64Å; Y516-H520 HydrophobicContact CE1-CB 4.17Å; Y516-H520 HydrophobicContact CE2-CB 4.45Å; Y516-H520 AromaticContact CE2-ND1 3.6Å; Y516-H520 WeakPolarHBondContact O-CB 3.36Å; Y516-H520 PolarHBondContact O-N 3.06Å; Y516-V544 HydrophobicContact CD1-CB 4.24Å; Y516-V544 HydrophobicContact CD1-CG1 3.98Å; Y516-V544 HydrophobicContact CD1-CG2 3.85Å; Y516-V544 HydrophobicContact CE1-CB 4.39Å; Y516-V544 HydrophobicContact CE1-CG2 3.8Å; Y516-V544 HydrophobicContact CG-CG1 4.47Å; Y516-V544 HydrophobicContact CG-CG2 4.3Å
517	W	90.9	Very high	85.6	Confident	13 Å²	13	69.7 Å²	69.7	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-33.2	178.5	-65	-35.3	0	0	0	112.8	C513 F514 S519 C521 L523 V537 V544 L545 F548	C513-W517 HydrophobicContact CB-CE3 4.39Å; C513-W517 HydrophobicContact CB-CH2 4.07Å; C513-W517 HydrophobicContact CB-CZ2 4.34Å; C513-W517 HydrophobicContact CB-CZ3 4.08Å; C513-W517 VanDerWaalsContact O-CD2 3.26Å; C513-W517 PolarHBondContact O-N 3.32Å; F514-W517 AromaticContact CD1-CE3 3.9Å; F514-W517 HydrophobicContact CD1-CE3 3.9Å; F514-W517 HydrophobicContact CD1-CZ3 4.02Å; F514-W517 HydrophobicContact CE1-CE3 4.35Å; F514-W517 HydrophobicContact CE1-CZ3 4.07Å; F514-W517 PolarHBondContact O-N 3.48Å; W517-S519 VanDerWaalsContact C-N 3.34Å; W517-C521 HydrophobicContact CB-CB 4.45Å; W517-C521 WeakPolarHBondContact O-CA 3.42Å; W517-C521 VanDerWaalsContact O-CB 3.25Å; W517-C521 WeakPolarHBondContact O-CB 3.36Å; W517-C521 PolarHBondContact O-N 3.1Å; W517-L523 HydrophobicContact CB-CD1 4.21Å; W517-V537 HydrophobicContact CD2-CG1 4.1Å; W517-V537 HydrophobicContact CD2-CG2 4.44Å; W517-V537 HydrophobicContact CH2-CG1 4Å; W517-V537 HydrophobicContact CZ2-CG1 3.46Å; W517-V537 VanDerWaalsContact CZ2-CG1 3.46Å; W517-V544 HydrophobicContact CZ2-CG1 4.04Å; W517-L545 HydrophobicContact CH2-CD1 4.44Å; W517-L545 HydrophobicContact CZ2-CB 4.38Å; W517-L545 HydrophobicContact CZ2-CD1 4.34Å; W517-F548 HydrophobicContact CH2-CB 3.69Å; W517-F548 HydrophobicContact CH2-CD1 4.18Å; W517-F548 AromaticContact CH2-CD2 3.76Å; W517-F548 HydrophobicContact CH2-CD2 3.76Å; W517-F548 HydrophobicContact CH2-CE2 4.41Å; W517-F548 AromaticContact CH2-CG 3.61Å; W517-F548 HydrophobicContact CH2-CG 3.61Å; W517-F548 HydrophobicContact CZ2-CB 4.21Å; W517-F548 AromaticContact CZ3-CD2 3.96Å; W517-F548 HydrophobicContact CZ3-CD2 3.96Å; W517-F548 HydrophobicContact CZ3-CE2 4.28Å; W517-F548 HydrophobicContact CZ3-CG 4.27Å
518	A	88.3	Confident	84	Confident	81 Å²	81	72.5 Å²	72.5	67%	0.669	36%	0.362	S	S	*	.	H	α-helix	trans	-68.2	-32.2	176.2	0	0	0	0	0	113	F514 S515 Y516	F514-A518 WeakPolarHBondContact O-CB 3.49Å; F514-A518 PolarHBondContact O-N 2.96Å; S515-A518 PolarHBondContact O-N 3.4Å; Y516-A518 VanDerWaalsContact C-N 3.3Å; Y516-A518 PolarHBondContact O-N 2.89Å
519	S	88.3	Confident	83.2	Confident	68 Å²	68	71.8 Å²	71.8	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-87.1	-36.2	179.7	53.3	0	0	0	0	113.3	D394 S515 Y516 W517	D394-S519 PolarHBondContact OD2-OG 2.9Å; S515-S519 PolarHBondContact O-N 3.5Å; S515-S519 VanDerWaalsContact O-N 3.13Å; S515-S519 PolarHBondContact O-OG 3.33Å; S515-S519 VanDerWaalsContact O-OG 3.11Å; Y516-S519 PolarHBondContact O-N 3.45Å; Y516-S519 PolarHBondContact O-OG 3.08Å; W517-S519 VanDerWaalsContact C-N 3.34Å
520	H	87.4	Confident	82.3	Confident	104 Å²	104	77.1 Å²	77.1	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-109.6	-17.3	-169.4	-71.9	99.2	0	0	0	115.4	D394 Y516	D394-H520 VanDerWaalsContact CG-CE1 3.4Å; D394-H520 IonicContact OD1-CE1 2.99Å; D394-H520 PolarHBondContact OD1-CE1 3.44Å; D394-H520 IonicContact OD2-CE1 2.69Å; D394-H520 PolarHBondContact OD2-CE1 3.44Å; D394-H520 IonicContact OD2-ND1 3.19Å; D394-H520 PolarHBondContact OD2-ND1 2.94Å; Y516-H520 AromaticContact CD2-ND1 3.64Å; Y516-H520 HydrophobicContact CE1-CB 4.17Å; Y516-H520 HydrophobicContact CE2-CB 4.45Å; Y516-H520 AromaticContact CE2-ND1 3.6Å; Y516-H520 WeakPolarHBondContact O-CB 3.36Å; Y516-H520 PolarHBondContact O-N 3.06Å
521	C	86.6	Confident	81.6	Confident	16 Å²	16	86 Å²	86	11%	0.108	44%	0.436	C	S	.	.	S	Bend	trans	-112.6	132.5	-176	-47.1	0	0	0	0	111.5	W517 L523 C540	W517-C521 HydrophobicContact CB-CB 4.45Å; W517-C521 WeakPolarHBondContact O-CA 3.42Å; W517-C521 VanDerWaalsContact O-CB 3.25Å; W517-C521 WeakPolarHBondContact O-CB 3.36Å; W517-C521 PolarHBondContact O-N 3.1Å; C521-L523 VanDerWaalsContact C-N 3.34Å; C521-L523 HydrophobicContact CB-CD2 4.38Å; C521-L523 HydrophobicContact CB-CG 4.21Å; C521-L523 PolarHBondContact O-N 3.49Å; C521-C540 VanDerWaalsContact CA-SG 3.58Å; C521-C540 HydrophobicContact CB-CB 3.8Å; C521-C540 WeakPolarHBondContact CB-SG 3.36Å; C521-C540 WeakPolarHBondContact SG-CB 3.39Å; C521-C540 CovalentContact SG-SG 2.02Å; C521-C540 PolarHBondContact SG-SG 3.26Å
522	S	80.4	Confident	80.9	Confident	100 Å²	100	81.6 Å²	81.6	70%	0.699	42%	0.424	S	S	*	.			trans	-77.5	81.8	174.2	60.2	0	0	0	0	111	R524	S522-R524 PolarHBondContact O-N 3.3Å
523	L	75.5	Confident	80.2	Confident	62 Å²	62	82.7 Å²	82.7	33%	0.325	43%	0.43	S	S	.	.			trans	-86	99.4	177.8	-60.4	174	0	0	0	110.5	W517 C521 V533 A536 V537	W517-L523 HydrophobicContact CB-CD1 4.21Å; C521-L523 VanDerWaalsContact C-N 3.34Å; C521-L523 HydrophobicContact CB-CD2 4.38Å; C521-L523 HydrophobicContact CB-CG 4.21Å; C521-L523 PolarHBondContact O-N 3.49Å; L523-V533 HydrophobicContact CD2-CG1 4.32Å; L523-A536 HydrophobicContact CD2-CB 4.07Å; L523-V537 HydrophobicContact CD2-CG2 3.81Å
524	R	70.4	Confident	79.6	Confident	149 Å²	149	86 Å²	86	56%	0.562	45%	0.451	S	S	*	.			trans	-98.6	89.2	175	-66.2	-170.6	-174	-176.9	1.7	111.2	S522 E526 E527	S522-R524 PolarHBondContact O-N 3.3Å; R524-E526 VanDerWaalsContact C-N 3.34Å; R524-E526 PolarHBondContact O-N 3.32Å; R524-E527 VanDerWaalsContact CD-OE2 3.27Å; R524-E527 WeakPolarHBondContact CD-OE2 3.38Å; R524-E527 IonicContact NH1-OE2 3.69Å; R524-E527 PolarHBondContact NH1-OE2 2.93Å
525	H	60.7	Low	79.1	Confident	129 Å²	129	84 Å²	84	60%	0.597	45%	0.45	S	S	*	.	H	α-helix	trans	-63.4	-33.5	-175.9	-108.1	-74.3	0	0	0	114.4
526	E	59.4	Low	78.6	Confident	197 Å²	197	83.8 Å²	83.8	92%	0.921	45%	0.451	S	S	*	.	H	α-helix	trans	-80	-22	-173.5	-66.9	-170.4	161.1	0	0	114	R524	R524-E526 VanDerWaalsContact C-N 3.34Å; R524-E526 PolarHBondContact O-N 3.32Å
527	E	62.1	Low	78.2	Confident	142 Å²	142	83 Å²	83	66%	0.664	45%	0.449	S	S	*	.	H	α-helix	trans	-101.8	-24.2	-174.4	-66.7	179.7	158.1	0	0	113.8	R524	R524-E527 VanDerWaalsContact CD-OE2 3.27Å; R524-E527 WeakPolarHBondContact CD-OE2 3.38Å; R524-E527 IonicContact NH1-OE2 3.69Å; R524-E527 PolarHBondContact NH1-OE2 2.93Å
528	Q	63.9	Low	77.9	Confident	93 Å²	93	85 Å²	85	44%	0.435	46%	0.463	S	S	.	.	H	α-helix	trans	-117.7	-8.2	-163.2	-51.2	-178.1	-23.8	0	0	115.4	G532	Q528-G532 WeakPolarHBondContact O-CA 3.39Å; Q528-G532 PolarHBondContact O-N 2.94Å
529	G	78.9	Confident	77.7	Confident	41 Å²	41	85.5 Å²	85.5	42%	0.423	46%	0.461	S	S	.	.	H	α-helix	trans	62	-175.9	-175.2	0	0	0	0	0	114	W531 G532 V533	G529-W531 PolarHBondContact O-N 3.35Å; G529-G532 PolarHBondContact O-N 3.08Å; G529-V533 PolarHBondContact O-N 3.3Å
530	V	79.5	Confident	77.7	Confident	112 Å²	112	84.4 Å²	84.4	68%	0.679	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-42	-174.8	178.4	0	0	0	0	112.4	G532 V533 V534	V530-G532 VanDerWaalsContact C-N 3.34Å; V530-G532 PolarHBondContact O-N 2.91Å; V530-V533 PolarHBondContact O-N 3.02Å; V530-V534 WeakPolarHBondContact O-CG2 3.27Å; V530-V534 PolarHBondContact O-N 3.43Å; V530-V534 VanDerWaalsContact O-N 3.07Å
531	W	80.4	Confident	77.8	Confident	216 Å²	216	79.7 Å²	79.7	82%	0.818	43%	0.432	S	S	*	.	H	α-helix	trans	-68.1	-33.5	-179.8	-69.3	113	0	0	0	113.2	G529 V534 S535	G529-W531 PolarHBondContact O-N 3.35Å; W531-V534 PolarHBondContact O-N 2.82Å; W531-S535 WeakPolarHBondContact O-CB 3.34Å; W531-S535 PolarHBondContact O-N 3.18Å
532	G	80.6	Confident	78	Confident	17 Å²	17	80.6 Å²	80.6	18%	0.175	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-43.6	173.7	0	0	0	0	0	112.4	Q528 G529 V530 S535 A536	Q528-G532 WeakPolarHBondContact O-CA 3.39Å; Q528-G532 PolarHBondContact O-N 2.94Å; G529-G532 PolarHBondContact O-N 3.08Å; V530-G532 VanDerWaalsContact C-N 3.34Å; V530-G532 PolarHBondContact O-N 2.91Å; G532-S535 PolarHBondContact O-N 3.26Å; G532-A536 VanDerWaalsContact O-CB 3.3Å; G532-A536 WeakPolarHBondContact O-CB 3.32Å; G532-A536 PolarHBondContact O-N 3.13Å
533	V	79.3	Confident	78.7	Confident	22 Å²	22	76.8 Å²	76.8	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-62.2	-44.5	175.2	172.8	0	0	0	0	111.4	L523 G529 V530 A536 V537	L523-V533 HydrophobicContact CD2-CG1 4.32Å; G529-V533 PolarHBondContact O-N 3.3Å; V530-V533 PolarHBondContact O-N 3.02Å; V533-A536 PolarHBondContact O-N 2.92Å; V533-V537 WeakPolarHBondContact O-CG2 3.27Å; V533-V537 PolarHBondContact O-N 2.94Å
534	V	81.6	Confident	79.6	Confident	71 Å²	71	73.8 Å²	73.8	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.3	172.7	0	0	0	0	111.1	V530 W531 A536 V537 V538	V530-V534 WeakPolarHBondContact O-CG2 3.27Å; V530-V534 PolarHBondContact O-N 3.43Å; V530-V534 VanDerWaalsContact O-N 3.07Å; W531-V534 PolarHBondContact O-N 2.82Å; V534-A536 VanDerWaalsContact C-N 3.32Å; V534-A536 PolarHBondContact O-N 2.93Å; V534-V537 PolarHBondContact O-N 3.3Å; V534-V538 HydrophobicContact CG1-CG2 4.38Å; V534-V538 WeakPolarHBondContact O-CG2 3.35Å; V534-V538 PolarHBondContact O-N 3.3Å
535	S	81.8	Confident	80.7	Confident	70 Å²	70	68.9 Å²	68.9	49%	0.49	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-39.2	178.1	-171.2	0	0	0	0	112.4	W531 G532 S539	W531-S535 WeakPolarHBondContact O-CB 3.34Å; W531-S535 PolarHBondContact O-N 3.18Å; G532-S535 PolarHBondContact O-N 3.26Å; S535-S539 VanDerWaalsContact O-CB 3.29Å; S535-S539 WeakPolarHBondContact O-CB 3.34Å; S535-S539 PolarHBondContact O-N 3.37Å; S535-S539 PolarHBondContact O-OG 3.24Å
536	A	81.1	Confident	82.2	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-43.5	176.4	0	0	0	0	0	111.9	L523 G532 V533 V534 S539 C540	L523-A536 HydrophobicContact CD2-CB 4.07Å; G532-A536 VanDerWaalsContact O-CB 3.3Å; G532-A536 WeakPolarHBondContact O-CB 3.32Å; G532-A536 PolarHBondContact O-N 3.13Å; V533-A536 PolarHBondContact O-N 2.92Å; V534-A536 VanDerWaalsContact C-N 3.32Å; V534-A536 PolarHBondContact O-N 2.93Å; A536-S539 PolarHBondContact O-N 3Å; A536-C540 WeakPolarHBondContact O-CB 3.44Å; A536-C540 PolarHBondContact O-N 3.07Å
537	V	85.3	Confident	84	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-45.4	176.8	169.6	0	0	0	0	111.5	W517 L523 V533 V534 S539 C540 S541 L545	W517-V537 HydrophobicContact CD2-CG1 4.1Å; W517-V537 HydrophobicContact CD2-CG2 4.44Å; W517-V537 HydrophobicContact CH2-CG1 4Å; W517-V537 HydrophobicContact CZ2-CG1 3.46Å; W517-V537 VanDerWaalsContact CZ2-CG1 3.46Å; L523-V537 HydrophobicContact CD2-CG2 3.81Å; V533-V537 WeakPolarHBondContact O-CG2 3.27Å; V533-V537 PolarHBondContact O-N 2.94Å; V534-V537 PolarHBondContact O-N 3.3Å; V537-S539 VanDerWaalsContact C-N 3.32Å; V537-S539 PolarHBondContact O-N 3.47Å; V537-C540 PolarHBondContact O-N 3.39Å; V537-S541 PolarHBondContact O-N 2.93Å; V537-L545 HydrophobicContact CG1-CD1 4.08Å
538	V	85.1	Confident	85.6	Confident	56 Å²	56	51 Å²	51	34%	0.339	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-44.7	177.3	172.3	0	0	0	0	110.8	V534 P542 L545	V534-V538 HydrophobicContact CG1-CG2 4.38Å; V534-V538 WeakPolarHBondContact O-CG2 3.35Å; V534-V538 PolarHBondContact O-N 3.3Å; V538-P542 WeakPolarHBondContact O-CD 3.31Å; V538-P542 WeakPolarHBondContact O-CG 3.47Å; V538-L545 HydrophobicContact CB-CD2 4.21Å; V538-L545 HydrophobicContact CG2-CD2 3.45Å; V538-L545 VanDerWaalsContact CG2-CD2 3.45Å
539	S	84.1	Confident	87.1	Confident	91 Å²	91	50.7 Å²	50.7	64%	0.636	30%	0.304	S	S	*	.	H	α-helix	trans	-74.1	-27.7	-178.3	-56	0	0	0	0	113.1	S535 A536 V537	S535-S539 VanDerWaalsContact O-CB 3.29Å; S535-S539 WeakPolarHBondContact O-CB 3.34Å; S535-S539 PolarHBondContact O-N 3.37Å; S535-S539 PolarHBondContact O-OG 3.24Å; A536-S539 PolarHBondContact O-N 3Å; V537-S539 VanDerWaalsContact C-N 3.32Å; V537-S539 PolarHBondContact O-N 3.47Å
540	C	87.1	Confident	87.9	Confident	44 Å²	44	50.5 Å²	50.5	30%	0.297	29%	0.293	S	S	.	.	H	α-helix	trans	-73.2	-49.2	-176	-176.4	0	0	0	0	112.8	C521 A536 V537	C521-C540 VanDerWaalsContact CA-SG 3.58Å; C521-C540 HydrophobicContact CB-CB 3.8Å; C521-C540 WeakPolarHBondContact CB-SG 3.36Å; C521-C540 WeakPolarHBondContact SG-CB 3.39Å; C521-C540 CovalentContact SG-SG 2.02Å; C521-C540 PolarHBondContact SG-SG 3.26Å; A536-C540 WeakPolarHBondContact O-CB 3.44Å; A536-C540 PolarHBondContact O-N 3.07Å; V537-C540 PolarHBondContact O-N 3.39Å
541	S	90.8	Very high	88.7	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.035	26%	0.261	C	S	.	.			trans	-156.8	99.7	170.7	178.9	0	0	0	0	110.3	V537 W543 V544 L545	V537-S541 PolarHBondContact O-N 2.93Å; S541-W543 PolarHBondContact O-N 2.65Å; S541-V544 PolarHBondContact O-N 2.87Å; S541-V544 WeakPolarHBondContact OG-CG2 3.47Å; S541-V544 PolarHBondContact OG-N 3.32Å; S541-L545 PolarHBondContact O-N 3.48Å; S541-L545 VanDerWaalsContact O-N 3.12Å
542	P	90.9	Very high	89.6	Confident	35 Å²	35	40.2 Å²	40.2	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-55.1	-35.9	172.4	-24.6	32.4	0	0	0	112.5	F334 V538 L545 A546	F334-P542 HydrophobicContact CB-CB 4.13Å; V538-P542 WeakPolarHBondContact O-CD 3.31Å; V538-P542 WeakPolarHBondContact O-CG 3.47Å; P542-L545 PolarHBondContact O-N 3.29Å; P542-A546 PolarHBondContact O-N 3.33Å
543	W	93.9	Very high	90.3	Very high	20 Å²	20	45 Å²	45	8%	0.076	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-52.4	175.8	-178.5	-89.8	0	0	0	112.9	D335 W382 T386 W390 S541 L545 A546 V547	D335-W543 HydrophobicContact CB-CB 4.2Å; D335-W543 WeakPolarHBondContact OD1-CB 3.45Å; D335-W543 PolarHBondContact OD1-N 2.88Å; W382-W543 AromaticContact CD2-CH2 3.77Å; W382-W543 HydrophobicContact CD2-CH2 3.77Å; W382-W543 HydrophobicContact CD2-CZ2 4Å; W382-W543 AromaticContact CE3-CH2 3.43Å; W382-W543 HydrophobicContact CE3-CH2 3.43Å; W382-W543 VanDerWaalsContact CE3-CH2 3.43Å; W382-W543 AromaticContact CE3-CZ2 3.4Å; W382-W543 HydrophobicContact CE3-CZ2 3.4Å; W382-W543 VanDerWaalsContact CE3-CZ2 3.4Å; W382-W543 HydrophobicContact CG-CH2 4.4Å; W382-W543 HydrophobicContact CH2-CH2 4.21Å; W382-W543 AromaticContact CZ3-CH2 3.65Å; W382-W543 HydrophobicContact CZ3-CH2 3.65Å; W382-W543 AromaticContact CZ3-CZ2 3.86Å; W382-W543 HydrophobicContact CZ3-CZ2 3.86Å; T386-W543 PolarHBondContact OG1-NE1 3.06Å; W390-W543 HydrophobicContact CZ2-CG 4.47Å; S541-W543 PolarHBondContact O-N 2.65Å; W543-L545 VanDerWaalsContact C-N 3.26Å; W543-L545 PolarHBondContact O-N 3.49Å; W543-A546 WeakPolarHBondContact O-CB 3.08Å; W543-A546 PolarHBondContact O-N 3.28Å; W543-A546 VanDerWaalsContact O-N 3.08Å; W543-V547 WeakPolarHBondContact O-CG2 3.44Å; W543-V547 PolarHBondContact O-N 2.98Å
544	V	94.3	Very high	91.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-34.7	-179.3	176	0	0	0	0	111	W390 F391 C513 Y516 W517 S541 V547 F548	W390-V544 HydrophobicContact CG-CG2 4.35Å; F391-V544 HydrophobicContact CE1-CG1 4.24Å; F391-V544 HydrophobicContact CZ-CG1 4.44Å; C513-V544 HydrophobicContact CB-CG1 4.06Å; Y516-V544 HydrophobicContact CD1-CB 4.24Å; Y516-V544 HydrophobicContact CD1-CG1 3.98Å; Y516-V544 HydrophobicContact CD1-CG2 3.85Å; Y516-V544 HydrophobicContact CE1-CB 4.39Å; Y516-V544 HydrophobicContact CE1-CG2 3.8Å; Y516-V544 HydrophobicContact CG-CG1 4.47Å; Y516-V544 HydrophobicContact CG-CG2 4.3Å; W517-V544 HydrophobicContact CZ2-CG1 4.04Å; S541-V544 PolarHBondContact O-N 2.87Å; S541-V544 WeakPolarHBondContact OG-CG2 3.47Å; S541-V544 PolarHBondContact OG-N 3.32Å; V544-V547 PolarHBondContact O-N 3.22Å; V544-F548 WeakPolarHBondContact O-CB 3.26Å; V544-F548 PolarHBondContact O-N 3.42Å
545	L	93.1	Very high	91.9	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-43.2	171.5	179.3	62.1	0	0	0	112.5	W517 V537 V538 S541 P542 W543 V547 F548 V549	W517-L545 HydrophobicContact CH2-CD1 4.44Å; W517-L545 HydrophobicContact CZ2-CB 4.38Å; W517-L545 HydrophobicContact CZ2-CD1 4.34Å; V537-L545 HydrophobicContact CG1-CD1 4.08Å; V538-L545 HydrophobicContact CB-CD2 4.21Å; V538-L545 HydrophobicContact CG2-CD2 3.45Å; V538-L545 VanDerWaalsContact CG2-CD2 3.45Å; S541-L545 PolarHBondContact O-N 3.48Å; S541-L545 VanDerWaalsContact O-N 3.12Å; P542-L545 PolarHBondContact O-N 3.29Å; W543-L545 VanDerWaalsContact C-N 3.26Å; W543-L545 PolarHBondContact O-N 3.49Å; L545-V547 VanDerWaalsContact C-N 3.32Å; L545-V547 PolarHBondContact O-N 2.93Å; L545-F548 WeakPolarHBondContact O-CB 3.22Å; L545-F548 PolarHBondContact O-N 2.71Å; L545-V549 HydrophobicContact CD1-CG2 4.41Å; L545-V549 WeakPolarHBondContact O-CG2 3.4Å; L545-V549 PolarHBondContact O-N 3.45Å
546	A	93.9	Very high	92.7	Very high	41 Å²	41	41 Å²	41	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-42.2	175.8	0	0	0	0	0	111.6	P542 W543 V549 L550	P542-A546 PolarHBondContact O-N 3.33Å; W543-A546 WeakPolarHBondContact O-CB 3.08Å; W543-A546 PolarHBondContact O-N 3.28Å; W543-A546 VanDerWaalsContact O-N 3.08Å; A546-V549 PolarHBondContact O-N 2.86Å; A546-L550 VanDerWaalsContact O-CB 3.29Å; A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 PolarHBondContact O-N 3.25Å
547	V	95.9	Very high	93.4	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-38	175.7	174.3	0	0	0	0	111.8	T386 M509 W543 V544 L545 L550 S551	T386-V547 HydrophobicContact CG2-CB 4.45Å; T386-V547 HydrophobicContact CG2-CG1 4.19Å; T386-V547 HydrophobicContact CG2-CG2 4.08Å; T386-V547 WeakPolarHBondContact OG1-CG2 3.44Å; M509-V547 HydrophobicContact CE-CG1 3.46Å; M509-V547 VanDerWaalsContact CE-CG1 3.46Å; W543-V547 WeakPolarHBondContact O-CG2 3.44Å; W543-V547 PolarHBondContact O-N 2.98Å; V544-V547 PolarHBondContact O-N 3.22Å; L545-V547 VanDerWaalsContact C-N 3.32Å; L545-V547 PolarHBondContact O-N 2.93Å; V547-L550 PolarHBondContact O-N 2.81Å; V547-S551 VanDerWaalsContact O-CB 3.25Å; V547-S551 WeakPolarHBondContact O-CB 3.49Å; V547-S551 PolarHBondContact O-N 3.12Å; V547-S551 PolarHBondContact O-OG 2.89Å
548	F	96.1	Very high	94	Very high	45 Å²	45	40.5 Å²	40.5	20%	0.197	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-50.3	173.6	175.3	-93.4	0	0	0	111.5	I510 C513 F514 W517 V544 L545 L550 S551 F552	I510-F548 HydrophobicContact CG1-CD2 4.33Å; I510-F548 HydrophobicContact CG1-CE2 4.3Å; I510-F548 HydrophobicContact CG2-CD2 4.46Å; I510-F548 HydrophobicContact CG2-CE2 3.95Å; C513-F548 HydrophobicContact CB-CB 4.19Å; C513-F548 HydrophobicContact CB-CD2 3.96Å; F514-F548 HydrophobicContact CE1-CE2 4.41Å; F514-F548 HydrophobicContact CE2-CE2 4.14Å; F514-F548 AromaticContact CZ-CE2 3.86Å; F514-F548 HydrophobicContact CZ-CE2 3.86Å; F514-F548 HydrophobicContact CZ-CZ 4.33Å; W517-F548 HydrophobicContact CH2-CB 3.69Å; W517-F548 HydrophobicContact CH2-CD1 4.18Å; W517-F548 AromaticContact CH2-CD2 3.76Å; W517-F548 HydrophobicContact CH2-CD2 3.76Å; W517-F548 HydrophobicContact CH2-CE2 4.41Å; W517-F548 AromaticContact CH2-CG 3.61Å; W517-F548 HydrophobicContact CH2-CG 3.61Å; W517-F548 HydrophobicContact CZ2-CB 4.21Å; W517-F548 AromaticContact CZ3-CD2 3.96Å; W517-F548 HydrophobicContact CZ3-CD2 3.96Å; W517-F548 HydrophobicContact CZ3-CE2 4.28Å; W517-F548 HydrophobicContact CZ3-CG 4.27Å; V544-F548 WeakPolarHBondContact O-CB 3.26Å; V544-F548 PolarHBondContact O-N 3.42Å; L545-F548 WeakPolarHBondContact O-CB 3.22Å; L545-F548 PolarHBondContact O-N 2.71Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 3.48Å; F548-S551 PolarHBondContact O-N 2.97Å; F548-F552 WeakPolarHBondContact O-CB 3.25Å; F548-F552 PolarHBondContact O-N 3.45Å
549	V	95.3	Very high	94.6	Very high	87 Å²	87	40.1 Å²	40.1	53%	0.527	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-43.5	179.3	172.1	0	0	0	0	111	L545 A546 F552 Y553	L545-V549 HydrophobicContact CD1-CG2 4.41Å; L545-V549 WeakPolarHBondContact O-CG2 3.4Å; L545-V549 PolarHBondContact O-N 3.45Å; A546-V549 PolarHBondContact O-N 2.86Å; V549-F552 PolarHBondContact O-N 3.06Å; V549-Y553 WeakPolarHBondContact O-CB 3.3Å; V549-Y553 PolarHBondContact O-N 3.28Å
550	L	95.4	Very high	95.2	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-45.4	176.6	-175.3	61.4	0	0	0	111.9	A546 V547 F548 Y553 H554	A546-L550 VanDerWaalsContact O-CB 3.29Å; A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 PolarHBondContact O-N 3.25Å; V547-L550 PolarHBondContact O-N 2.81Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 3.48Å; L550-Y553 PolarHBondContact O-N 3.38Å; L550-H554 PolarHBondContact O-CD2 2.85Å; L550-H554 PolarHBondContact O-N 3.29Å
551	S	97.4	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-40.8	178.2	-58.6	0	0	0	0	111.5	M509 V547 F548 H554 T555	M509-S551 WeakPolarHBondContact CB-OG 3.44Å; V547-S551 VanDerWaalsContact O-CB 3.25Å; V547-S551 WeakPolarHBondContact O-CB 3.49Å; V547-S551 PolarHBondContact O-N 3.12Å; V547-S551 PolarHBondContact O-OG 2.89Å; F548-S551 PolarHBondContact O-N 2.97Å; S551-H554 PolarHBondContact O-N 3.38Å; S551-T555 VanDerWaalsContact O-CB 3.3Å; S551-T555 WeakPolarHBondContact O-CB 3.2Å; S551-T555 PolarHBondContact O-N 2.95Å; S551-T555 PolarHBondContact O-OG1 2.9Å
552	F	97.7	Very high	96	Very high	112 Å²	112	44.7 Å²	44.7	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-46.4	174.7	-178.7	-98.7	0	0	0	111.5	F548 V549 H554 T555 C556	F548-F552 WeakPolarHBondContact O-CB 3.25Å; F548-F552 PolarHBondContact O-N 3.45Å; V549-F552 PolarHBondContact O-N 3.06Å; F552-H554 PolarHBondContact O-N 2.88Å; F552-T555 PolarHBondContact O-N 2.71Å; F552-C556 VanDerWaalsContact CE1-SG 3.57Å; F552-C556 WeakPolarHBondContact CZ-SG 3.42Å; F552-C556 WeakPolarHBondContact O-CB 3.25Å; F552-C556 PolarHBondContact O-N 2.85Å; F552-C556 PolarHBondContact O-SG 3.49Å
553	Y	96.8	Very high	96.3	Very high	119 Å²	119	48 Å²	48	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-55.6	-53.4	174.7	171.2	-102.1	0	0	0	111.2	W482 V549 L550 T555 C556 W557	W482-Y553 HydrophobicContact CH2-CE1 4.47Å; V549-Y553 WeakPolarHBondContact O-CB 3.3Å; V549-Y553 PolarHBondContact O-N 3.28Å; L550-Y553 PolarHBondContact O-N 3.38Å; Y553-T555 PolarHBondContact O-N 2.99Å; Y553-C556 PolarHBondContact O-N 3.01Å; Y553-W557 AromaticContact CD1-CD1 3.81Å; Y553-W557 AromaticContact CD1-NE1 3.92Å; Y553-W557 AromaticContact CE1-CD1 3.54Å; Y553-W557 AromaticContact CE1-NE1 3.56Å; Y553-W557 AromaticContact CZ-CD1 3.74Å; Y553-W557 PolarHBondContact O-N 3.04Å; Y553-W557 VanDerWaalsContact O-N 3.13Å
554	H	97	Very high	96.4	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-43.2	179	-75.1	-59.8	0	0	0	112.7	L376 S379 L502 L550 S551 F552 W557 S558	L376-H554 VanDerWaalsContact CD1-CE1 3.46Å; L376-H554 WeakPolarHBondContact CD1-CE1 3.41Å; S379-H554 WeakPolarHBondContact CB-NE2 3.32Å; S379-H554 PolarHBondContact OG-CE1 3.41Å; S379-H554 PolarHBondContact OG-NE2 3.12Å; L502-H554 HydrophobicContact CD1-CB 4.32Å; L550-H554 PolarHBondContact O-CD2 2.85Å; L550-H554 PolarHBondContact O-N 3.29Å; S551-H554 PolarHBondContact O-N 3.38Å; F552-H554 PolarHBondContact O-N 2.88Å; H554-W557 AromaticContact ND1-CE2 3.88Å; H554-W557 AromaticContact ND1-CZ2 3.97Å; H554-W557 AromaticContact ND1-NE1 3.23Å; H554-W557 PolarHBondContact ND1-NE1 3.42Å; H554-S558 WeakPolarHBondContact O-CB 3.41Å; H554-S558 PolarHBondContact O-N 3.43Å; H554-S558 PolarHBondContact O-OG 2.96Å
555	T	97.6	Very high	96.5	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.153	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-48.1	177.8	-54.8	0	0	0	0	110.9	G506 S551 F552 Y553 S558 T559	G506-T555 VanDerWaalsContact CA-OG1 3.25Å; G506-T555 WeakPolarHBondContact CA-OG1 3.2Å; S551-T555 VanDerWaalsContact O-CB 3.3Å; S551-T555 WeakPolarHBondContact O-CB 3.2Å; S551-T555 PolarHBondContact O-N 2.95Å; S551-T555 PolarHBondContact O-OG1 2.9Å; F552-T555 PolarHBondContact O-N 2.71Å; Y553-T555 PolarHBondContact O-N 2.99Å; T555-S558 PolarHBondContact O-OG 3.22Å; T555-T559 WeakPolarHBondContact O-CB 3.5Å; T555-T559 PolarHBondContact O-N 2.89Å; T555-T559 PolarHBondContact O-OG1 3.15Å
556	C	97.3	Very high	96.7	Very high	48 Å²	48	49.5 Å²	49.5	32%	0.324	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-56.7	-178	-78.5	0	0	0	0	112.1	F552 Y553 T559 L560	F552-C556 VanDerWaalsContact CE1-SG 3.57Å; F552-C556 WeakPolarHBondContact CZ-SG 3.42Å; F552-C556 WeakPolarHBondContact O-CB 3.25Å; F552-C556 PolarHBondContact O-N 2.85Å; F552-C556 PolarHBondContact O-SG 3.49Å; Y553-C556 PolarHBondContact O-N 3.01Å; C556-T559 PolarHBondContact O-N 3.31Å; C556-L560 WeakPolarHBondContact O-CB 3.32Å; C556-L560 VanDerWaalsContact O-CG 3.27Å; C556-L560 WeakPolarHBondContact O-CG 3.29Å; C556-L560 PolarHBondContact O-N 3.34Å
557	W	96.4	Very high	96.8	Very high	28 Å²	28	52 Å²	52	11%	0.106	26%	0.263	C	S	.	.	H	α-helix	trans	-70.3	-38.7	-175.8	77.3	-107.4	0	0	0	111.9	L376 W482 L499 L502 Y553 H554 T559 L560 F561	L376-W557 HydrophobicContact CD1-CZ2 4.36Å; W482-W557 HydrophobicContact CB-CH2 4.43Å; W482-W557 AromaticContact CD1-CH2 3.6Å; W482-W557 AromaticContact CD1-CZ3 3.66Å; W482-W557 HydrophobicContact CD2-CH2 4.14Å; W482-W557 HydrophobicContact CD2-CZ2 4.12Å; W482-W557 AromaticContact CE2-CZ2 4Å; W482-W557 AromaticContact CG-CH2 3.83Å; W482-W557 HydrophobicContact CG-CH2 3.83Å; W482-W557 HydrophobicContact CG-CZ2 4.29Å; W482-W557 HydrophobicContact CG-CZ3 4.34Å; W482-W557 HydrophobicContact CZ2-CZ2 4.44Å; W482-W557 AromaticContact NE1-CE3 4Å; W482-W557 AromaticContact NE1-CH2 3.77Å; W482-W557 AromaticContact NE1-CZ3 3.71Å; L499-W557 HydrophobicContact CD2-CH2 4.28Å; L499-W557 HydrophobicContact CD2-CZ3 3.78Å; L502-W557 HydrophobicContact CD2-CH2 3.92Å; L502-W557 HydrophobicContact CD2-CZ2 3.68Å; Y553-W557 AromaticContact CD1-CD1 3.81Å; Y553-W557 AromaticContact CD1-NE1 3.92Å; Y553-W557 AromaticContact CE1-CD1 3.54Å; Y553-W557 AromaticContact CE1-NE1 3.56Å; Y553-W557 AromaticContact CZ-CD1 3.74Å; Y553-W557 PolarHBondContact O-N 3.04Å; Y553-W557 VanDerWaalsContact O-N 3.13Å; H554-W557 AromaticContact ND1-CE2 3.88Å; H554-W557 AromaticContact ND1-CZ2 3.97Å; H554-W557 AromaticContact ND1-NE1 3.23Å; H554-W557 PolarHBondContact ND1-NE1 3.42Å; W557-T559 VanDerWaalsContact C-N 3.35Å; W557-T559 PolarHBondContact O-N 3.34Å; W557-L560 PolarHBondContact O-N 3.12Å; W557-F561 HydrophobicContact CE3-CD2 4.26Å; W557-F561 HydrophobicContact CE3-CG 4.43Å; W557-F561 WeakPolarHBondContact O-CB 3.4Å; W557-F561 WeakPolarHBondContact O-CD2 3.42Å; W557-F561 PolarHBondContact O-N 3.46Å
558	S	97.3	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-39.5	179.3	63	0	0	0	0	111.6	S503 H554 T555 F561 L562	S503-S558 WeakPolarHBondContact OG-CB 3.45Å; S503-S558 PolarHBondContact OG-OG 3.43Å; H554-S558 WeakPolarHBondContact O-CB 3.41Å; H554-S558 PolarHBondContact O-N 3.43Å; H554-S558 PolarHBondContact O-OG 2.96Å; T555-S558 PolarHBondContact O-OG 3.22Å; S558-F561 PolarHBondContact O-N 3.18Å; S558-L562 WeakPolarHBondContact O-CB 3.49Å; S558-L562 PolarHBondContact O-N 2.98Å
559	T	97.9	Very high	96.7	Very high	48 Å²	48	50.8 Å²	50.8	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-44.4	176.7	-57.6	0	0	0	0	111.2	S503 T555 C556 W557 F561 L562 I563	S503-T559 PolarHBondContact OG-N 3.17Å; S503-T559 PolarHBondContact OG-OG1 3.02Å; T555-T559 WeakPolarHBondContact O-CB 3.5Å; T555-T559 PolarHBondContact O-N 2.89Å; T555-T559 PolarHBondContact O-OG1 3.15Å; C556-T559 PolarHBondContact O-N 3.31Å; W557-T559 VanDerWaalsContact C-N 3.35Å; W557-T559 PolarHBondContact O-N 3.34Å; T559-F561 PolarHBondContact O-N 2.89Å; T559-L562 PolarHBondContact O-N 3.28Å; T559-I563 HydrophobicContact CG2-CD1 3.9Å; T559-I563 HydrophobicContact CG2-CG1 4.44Å; T559-I563 VanDerWaalsContact O-CG1 3.27Å; T559-I563 WeakPolarHBondContact O-CG1 3.33Å; T559-I563 PolarHBondContact O-N 2.89Å
560	L	97.4	Very high	96.7	Very high	122 Å²	122	47 Å²	47	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-61.8	-43.8	176.9	-72	172.6	0	0	0	111.9	C556 W557 I563 G564	C556-L560 WeakPolarHBondContact O-CB 3.32Å; C556-L560 VanDerWaalsContact O-CG 3.27Å; C556-L560 WeakPolarHBondContact O-CG 3.29Å; C556-L560 PolarHBondContact O-N 3.34Å; W557-L560 PolarHBondContact O-N 3.12Å; L560-I563 PolarHBondContact O-N 3.1Å; L560-G564 PolarHBondContact O-N 3.26Å
561	F	96.6	Very high	96.6	Very high	99 Å²	99	48.8 Å²	48.8	43%	0.434	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-42.7	174.7	-93.6	-111	0	0	0	111.7	L499 W557 S558 T559 I563 G564 Q565	L499-F561 HydrophobicContact CD1-CB 4Å; L499-F561 HydrophobicContact CD2-CB 4.27Å; W557-F561 HydrophobicContact CE3-CD2 4.26Å; W557-F561 HydrophobicContact CE3-CG 4.43Å; W557-F561 WeakPolarHBondContact O-CB 3.4Å; W557-F561 WeakPolarHBondContact O-CD2 3.42Å; W557-F561 PolarHBondContact O-N 3.46Å; S558-F561 PolarHBondContact O-N 3.18Å; T559-F561 PolarHBondContact O-N 2.89Å; F561-I563 PolarHBondContact O-N 3.49Å; F561-G564 PolarHBondContact O-N 3.43Å; F561-Q565 WeakPolarHBondContact O-CB 3.33Å; F561-Q565 VanDerWaalsContact O-CG 3.24Å; F561-Q565 WeakPolarHBondContact O-CG 3.47Å; F561-Q565 PolarHBondContact O-N 3.46Å
562	L	97.8	Very high	96.5	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-47.4	177.5	178.1	62.6	0	0	0	111.2	V496 L499 L500 S558 T559 G564 Q565 L566	V496-L562 HydrophobicContact CG1-CD1 3.78Å; L499-L562 HydrophobicContact CB-CB 4.09Å; L499-L562 HydrophobicContact CB-CD1 4.18Å; L499-L562 HydrophobicContact CD1-CB 4.47Å; L500-L562 HydrophobicContact CB-CD1 4.41Å; L500-L562 HydrophobicContact CB-CD2 4.05Å; L500-L562 HydrophobicContact CD1-CD2 3.97Å; S558-L562 WeakPolarHBondContact O-CB 3.49Å; S558-L562 PolarHBondContact O-N 2.98Å; T559-L562 PolarHBondContact O-N 3.28Å; L562-G564 VanDerWaalsContact C-N 3.33Å; L562-G564 PolarHBondContact O-N 2.98Å; L562-Q565 PolarHBondContact O-N 3.11Å; L562-L566 HydrophobicContact CD1-CD1 3.86Å; L562-L566 HydrophobicContact CD1-CG 3.95Å; L562-L566 HydrophobicContact CG-CD1 3.86Å; L562-L566 HydrophobicContact CG-CG 4.32Å; L562-L566 WeakPolarHBondContact O-CB 3.38Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.29Å; L562-L566 PolarHBondContact O-N 3.13Å
563	I	97.9	Very high	96.2	Very high	104 Å²	104	44 Å²	44	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-59.6	-46.1	176.7	-68.8	165.9	0	0	0	110.3	T559 L560 F561 Y567	T559-I563 HydrophobicContact CG2-CD1 3.9Å; T559-I563 HydrophobicContact CG2-CG1 4.44Å; T559-I563 VanDerWaalsContact O-CG1 3.27Å; T559-I563 WeakPolarHBondContact O-CG1 3.33Å; T559-I563 PolarHBondContact O-N 2.89Å; L560-I563 PolarHBondContact O-N 3.1Å; F561-I563 PolarHBondContact O-N 3.49Å; I563-Y567 VanDerWaalsContact O-CB 3.23Å; I563-Y567 WeakPolarHBondContact O-CB 3.34Å; I563-Y567 PolarHBondContact O-N 3.31Å
564	G	96.3	Very high	96	Very high	28 Å²	28	38.7 Å²	38.7	29%	0.289	20%	0.203	S	C	.	.	H	α-helix	trans	-59.7	-47.2	177.6	0	0	0	0	0	112.7	L560 F561 L562 Y567 Q568	L560-G564 PolarHBondContact O-N 3.26Å; F561-G564 PolarHBondContact O-N 3.43Å; L562-G564 VanDerWaalsContact C-N 3.33Å; L562-G564 PolarHBondContact O-N 2.98Å; G564-Y567 PolarHBondContact O-N 2.97Å; G564-Q568 WeakPolarHBondContact O-CG 3.26Å; G564-Q568 PolarHBondContact O-N 3.24Å
565	Q	96.4	Very high	95.8	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-48	179.1	-71.2	-67.5	-23.4	0	0	111.5	D477 H492 F495 V496 L499 F561 L562 Y567 Q568 I569	D477-Q565 PolarHBondContact OD2-NE2 2.99Å; D477-Q565 PolarHBondContact OD2-OE1 2.95Å; H492-Q565 PolarHBondContact CE1-OE1 3.41Å; H492-Q565 PolarHBondContact NE2-OE1 2.89Å; F495-Q565 HydrophobicContact CE1-CG 4.45Å; V496-Q565 HydrophobicContact CG2-CB 4.36Å; L499-Q565 HydrophobicContact CD1-CG 4.37Å; F561-Q565 WeakPolarHBondContact O-CB 3.33Å; F561-Q565 VanDerWaalsContact O-CG 3.24Å; F561-Q565 WeakPolarHBondContact O-CG 3.47Å; F561-Q565 PolarHBondContact O-N 3.46Å; L562-Q565 PolarHBondContact O-N 3.11Å; Q565-Y567 VanDerWaalsContact C-N 3.29Å; Q565-Y567 PolarHBondContact O-N 2.89Å; Q565-Q568 PolarHBondContact O-N 3.42Å; Q565-I569 WeakPolarHBondContact O-CB 3.49Å; Q565-I569 VanDerWaalsContact O-CD1 3.3Å; Q565-I569 WeakPolarHBondContact O-CD1 3.34Å; Q565-I569 WeakPolarHBondContact O-CG1 3.36Å; Q565-I569 PolarHBondContact O-N 2.97Å
566	L	96.4	Very high	95.6	Very high	60 Å²	60	39.3 Å²	39.3	31%	0.314	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-39.2	175.5	-71.1	176.4	0	0	0	111.5	V496 L562 A570 F612	V496-L566 HydrophobicContact CG1-CD2 3.91Å; L562-L566 HydrophobicContact CD1-CD1 3.86Å; L562-L566 HydrophobicContact CD1-CG 3.95Å; L562-L566 HydrophobicContact CG-CD1 3.86Å; L562-L566 HydrophobicContact CG-CG 4.32Å; L562-L566 WeakPolarHBondContact O-CB 3.38Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.29Å; L562-L566 PolarHBondContact O-N 3.13Å; L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.45Å; L566-F612 HydrophobicContact CD2-CZ 4.44Å
567	Y	95.9	Very high	95.3	Very high	94 Å²	94	38.2 Å²	38.2	37%	0.369	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-47.6	175.4	176.1	-99.6	0	0	0	111.8	I563 G564 Q565 F571 L572	I563-Y567 VanDerWaalsContact O-CB 3.23Å; I563-Y567 WeakPolarHBondContact O-CB 3.34Å; I563-Y567 PolarHBondContact O-N 3.31Å; G564-Y567 PolarHBondContact O-N 2.97Å; Q565-Y567 VanDerWaalsContact C-N 3.29Å; Q565-Y567 PolarHBondContact O-N 2.89Å; Y567-F571 HydrophobicContact CD2-CB 4.08Å; Y567-F571 AromaticContact CD2-CD2 3.57Å; Y567-F571 HydrophobicContact CD2-CD2 3.57Å; Y567-F571 HydrophobicContact CD2-CE2 4.26Å; Y567-F571 AromaticContact CD2-CG 3.99Å; Y567-F571 HydrophobicContact CD2-CG 3.99Å; Y567-F571 HydrophobicContact CE2-CB 3.89Å; Y567-F571 HydrophobicContact CE2-CD2 4.05Å; Y567-F571 HydrophobicContact CE2-CG 4Å; Y567-F571 HydrophobicContact CG-CD2 4.38Å; Y567-F571 WeakPolarHBondContact O-CB 3.49Å; Y567-F571 PolarHBondContact O-N 3.2Å; Y567-L572 HydrophobicContact CD1-CD1 4.39Å; Y567-L572 HydrophobicContact CE1-CD1 3.88Å; Y567-L572 HydrophobicContact CE1-CD2 4.43Å; Y567-L572 HydrophobicContact CE1-CG 4.06Å
568	Q	94.9	Very high	95	Very high	13 Å²	13	38 Å²	38	6%	0.061	20%	0.2	C	C	.	.	I	π-helix	trans	-61.6	-45.9	177.9	-75.8	176.2	-108.2	0	0	112	G564 Q565 L572 G573 T576	G564-Q568 WeakPolarHBondContact O-CG 3.26Å; G564-Q568 PolarHBondContact O-N 3.24Å; Q565-Q568 PolarHBondContact O-N 3.42Å; Q568-L572 HydrophobicContact CG-CD1 4.49Å; Q568-L572 CarbonylContact O-C 3.52Å; Q568-L572 WeakPolarHBondContact O-CB 3.46Å; Q568-L572 PolarHBondContact O-N 2.88Å; Q568-G573 PolarHBondContact O-N 2.99Å; Q568-T576 PolarHBondContact NE2-OG1 2.96Å
569	I	94.9	Very high	94.8	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.067	22%	0.217	C	C	.	.	I	π-helix	trans	-66.1	-54.5	179.9	-67.2	158.6	0	0	0	110.1	V496 Q565 G573 N607 L608 F611	V496-I569 HydrophobicContact CG2-CD1 3.71Å; Q565-I569 WeakPolarHBondContact O-CB 3.49Å; Q565-I569 VanDerWaalsContact O-CD1 3.3Å; Q565-I569 WeakPolarHBondContact O-CD1 3.34Å; Q565-I569 WeakPolarHBondContact O-CG1 3.36Å; Q565-I569 PolarHBondContact O-N 2.97Å; I569-G573 PolarHBondContact O-N 3.39Å; I569-N607 WeakPolarHBondContact O-CB 3.37Å; I569-N607 PolarHBondContact O-ND2 3.45Å; I569-L608 HydrophobicContact CG2-CD2 4.42Å; I569-F611 HydrophobicContact CD1-CD1 4.21Å; I569-F611 HydrophobicContact CD1-CD2 4.15Å; I569-F611 HydrophobicContact CD1-CE1 3.68Å; I569-F611 HydrophobicContact CD1-CE2 3.6Å; I569-F611 HydrophobicContact CD1-CG 4.42Å; I569-F611 HydrophobicContact CD1-CZ 3.34Å; I569-F611 HydrophobicContact CG1-CD2 4.08Å; I569-F611 HydrophobicContact CG1-CE2 3.87Å; I569-F611 HydrophobicContact CG1-CZ 4.13Å; I569-F611 HydrophobicContact CG2-CB 3.68Å; I569-F611 HydrophobicContact CG2-CD1 3.91Å; I569-F611 HydrophobicContact CG2-CD2 3.7Å; I569-F611 HydrophobicContact CG2-CE1 4.48Å; I569-F611 HydrophobicContact CG2-CE2 4.3Å; I569-F611 HydrophobicContact CG2-CG 3.48Å; I569-F611 VanDerWaalsContact CG2-CG 3.48Å
570	A	95	Very high	94.4	Very high	7 Å²	7	43.2 Å²	43.2	6%	0.058	22%	0.222	C	C	.	.	I	π-helix	trans	-74	-50.4	-170.7	0	0	0	0	0	111.9	L566 V604 N607 L608	L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.45Å; A570-V604 HydrophobicContact CB-CG1 4.24Å; A570-V604 VanDerWaalsContact O-CA 3.31Å; A570-V604 WeakPolarHBondContact O-CA 3.15Å; A570-N607 PolarHBondContact O-ND2 3.4Å; A570-L608 HydrophobicContact CB-CD1 4.14Å; A570-L608 HydrophobicContact CB-CD2 3.88Å; A570-L608 HydrophobicContact CB-CG 3.91Å
571	F	94.6	Very high	93.9	Very high	75 Å²	75	41.8 Å²	41.8	33%	0.329	22%	0.215	S	C	.	.	I	π-helix	trans	-93.5	-26.1	-170.1	-66.5	-88.9	0	0	0	114.3	Y567 N601 V604	Y567-F571 HydrophobicContact CD2-CB 4.08Å; Y567-F571 AromaticContact CD2-CD2 3.57Å; Y567-F571 HydrophobicContact CD2-CD2 3.57Å; Y567-F571 HydrophobicContact CD2-CE2 4.26Å; Y567-F571 AromaticContact CD2-CG 3.99Å; Y567-F571 HydrophobicContact CD2-CG 3.99Å; Y567-F571 HydrophobicContact CE2-CB 3.89Å; Y567-F571 HydrophobicContact CE2-CD2 4.05Å; Y567-F571 HydrophobicContact CE2-CG 4Å; Y567-F571 HydrophobicContact CG-CD2 4.38Å; Y567-F571 WeakPolarHBondContact O-CB 3.49Å; Y567-F571 PolarHBondContact O-N 3.2Å; F571-N601 PolarHBondContact O-ND2 3.29Å; F571-V604 HydrophobicContact CD1-CG2 3.63Å; F571-V604 HydrophobicContact CE1-CG2 3.76Å; F571-V604 HydrophobicContact CG-CG2 4.25Å; F571-V604 HydrophobicContact CZ-CG2 4.47Å
572	L	93.4	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-107.9	-34.8	-176.5	-55.3	-176.7	0	0	0	113.2	Y567 Q568 L574 L595 R596 N598 N601	Y567-L572 HydrophobicContact CD1-CD1 4.39Å; Y567-L572 HydrophobicContact CE1-CD1 3.88Å; Y567-L572 HydrophobicContact CE1-CD2 4.43Å; Y567-L572 HydrophobicContact CE1-CG 4.06Å; Q568-L572 HydrophobicContact CG-CD1 4.49Å; Q568-L572 CarbonylContact O-C 3.52Å; Q568-L572 WeakPolarHBondContact O-CB 3.46Å; Q568-L572 PolarHBondContact O-N 2.88Å; L572-L574 HydrophobicContact CB-CB 4.14Å; L572-L574 HydrophobicContact CB-CD1 4.24Å; L572-L574 HydrophobicContact CB-CG 4.12Å; L572-L574 PolarHBondContact O-N 3.35Å; L572-L595 HydrophobicContact CD2-CB 3.86Å; L572-R596 HydrophobicContact CD2-CG 3.95Å; L572-N598 PolarHBondContact O-ND2 3.48Å; L572-N601 WeakPolarHBondContact O-CB 3.35Å
573	G	91.8	Very high	92.8	Very high	11 Å²	11	41.2 Å²	41.2	11%	0.113	22%	0.216	C	C	.	.			trans	68.9	14.2	-171	0	0	0	0	0	113.9	R462 Q568 I569	R462-G573 PolarHBondContact NH2-O 3.39Å; Q568-G573 PolarHBondContact O-N 2.99Å; I569-G573 PolarHBondContact O-N 3.39Å
574	L	92.4	Very high	92.2	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	21%	0.211	C	C	.	.			trans	-110	149.1	-171.8	-64.7	177.8	0	0	0	112.5	L572 E578 L582 N598 F600	L572-L574 HydrophobicContact CB-CB 4.14Å; L572-L574 HydrophobicContact CB-CD1 4.24Å; L572-L574 HydrophobicContact CB-CG 4.12Å; L572-L574 PolarHBondContact O-N 3.35Å; L574-E578 WeakPolarHBondContact CA-OE2 3.44Å; L574-E578 HydrophobicContact CB-CB 4.25Å; L574-E578 HydrophobicContact CD2-CB 4.09Å; L574-L582 HydrophobicContact CD1-CD1 3.58Å; L574-L582 HydrophobicContact CD2-CD1 4.25Å; L574-N598 HydrophobicContact CD2-CB 4.38Å; L574-F600 HydrophobicContact CD2-CB 4.44Å; L574-F600 HydrophobicContact CD2-CD2 3.82Å
575	T	93.1	Very high	91.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.223	C	C	.	.			trans	-78.1	166	164.8	71	0	0	0	0	111.2	K475 Q476 D477 E578 R579	K475-T575 HydrophobicContact CG-CG2 3.57Å; Q476-T575 VanDerWaalsContact O-CB 3.27Å; Q476-T575 WeakPolarHBondContact O-CB 3.41Å; Q476-T575 WeakPolarHBondContact O-CG2 3.49Å; Q476-T575 PolarHBondContact O-OG1 3.08Å; D477-T575 WeakPolarHBondContact OD1-CA 3.41Å; T575-E578 PolarHBondContact N-OE2 3.31Å; T575-E578 PolarHBondContact O-N 3.37Å; T575-E578 WeakPolarHBondContact OG1-CG 3.48Å; T575-E578 PolarHBondContact OG1-N 2.98Å; T575-E578 PolarHBondContact OG1-OE2 2.97Å; T575-R579 WeakPolarHBondContact O-CB 3.37Å; T575-R579 PolarHBondContact O-N 3.25Å
576	T	93.3	Very high	91	Very high	43 Å²	43	46.2 Å²	46.2	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-47.6	178.1	-57.4	0	0	0	0	112.4	D477 Q568 E578 R579 T580	D477-T576 WeakPolarHBondContact O-CB 3.42Å; D477-T576 PolarHBondContact OD1-N 3.13Å; D477-T576 PolarHBondContact OD1-OG1 2.65Å; D477-T576 PolarHBondContact OD2-OG1 3.41Å; Q568-T576 PolarHBondContact NE2-OG1 2.96Å; T576-E578 VanDerWaalsContact C-N 3.34Å; T576-E578 PolarHBondContact O-N 2.85Å; T576-R579 PolarHBondContact O-N 3.18Å; T576-T580 WeakPolarHBondContact O-CG2 3.27Å; T576-T580 PolarHBondContact O-N 2.97Å; T576-T580 PolarHBondContact O-OG1 3.41Å
577	P	91.3	Very high	90.4	Very high	26 Å²	26	52.3 Å²	52.3	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-38.9	172.9	-27.9	31.7	0	0	0	114.1	V464 D477 T580 N581	V464-P577 HydrophobicContact CG2-CB 4.29Å; D477-P577 WeakPolarHBondContact O-CD 3.39Å; P577-T580 WeakPolarHBondContact CA-OG1 3.36Å; P577-T580 PolarHBondContact O-N 3.42Å; P577-T580 PolarHBondContact O-OG1 2.99Å; P577-N581 VanDerWaalsContact O-CB 3.27Å; P577-N581 WeakPolarHBondContact O-CB 3.31Å; P577-N581 PolarHBondContact O-N 3.35Å; P577-N581 PolarHBondContact O-ND2 2.88Å
578	E	91.3	Very high	89.8	Confident	24 Å²	24	57.4 Å²	57.4	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-43.9	178.8	-70.6	164.5	174	0	0	111	R462 L574 T575 T576 N581 L582	R462-E578 WeakPolarHBondContact CB-OE1 3.32Å; R462-E578 WeakPolarHBondContact CD-OE1 3.48Å; R462-E578 WeakPolarHBondContact CG-OE1 3.46Å; R462-E578 IonicContact CZ-OE1 3.23Å; R462-E578 IonicContact CZ-OE2 3.32Å; R462-E578 IonicContact NE-OE1 2.74Å; R462-E578 PolarHBondContact NE-OE1 3.44Å; R462-E578 IonicContact NE-OE2 2.63Å; R462-E578 PolarHBondContact NE-OE2 3.4Å; R462-E578 IonicContact NH2-OE1 2.95Å; R462-E578 IonicContact NH2-OE2 3.35Å; R462-E578 PolarHBondContact NH2-OE2 3.36Å; L574-E578 WeakPolarHBondContact CA-OE2 3.44Å; L574-E578 HydrophobicContact CB-CB 4.25Å; L574-E578 HydrophobicContact CD2-CB 4.09Å; T575-E578 PolarHBondContact N-OE2 3.31Å; T575-E578 PolarHBondContact O-N 3.37Å; T575-E578 WeakPolarHBondContact OG1-CG 3.48Å; T575-E578 PolarHBondContact OG1-N 2.98Å; T575-E578 PolarHBondContact OG1-OE2 2.97Å; T576-E578 VanDerWaalsContact C-N 3.34Å; T576-E578 PolarHBondContact O-N 2.85Å; E578-N581 PolarHBondContact O-N 2.86Å; E578-L582 WeakPolarHBondContact O-CB 2.99Å; E578-L582 WeakPolarHBondContact O-CG 3.41Å; E578-L582 PolarHBondContact O-N 3.29Å
579	R	91.7	Very high	89.1	Confident	91 Å²	91	62.8 Å²	62.8	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-46.5	175.7	178.8	-175.4	170.4	-149.7	-2.3	111.5	T575 T576 L583 L595	T575-R579 WeakPolarHBondContact O-CB 3.37Å; T575-R579 PolarHBondContact O-N 3.25Å; T576-R579 PolarHBondContact O-N 3.18Å; R579-L583 HydrophobicContact CG-CD1 4.1Å; R579-L583 WeakPolarHBondContact O-CB 3.23Å; R579-L583 VanDerWaalsContact O-CG 3.3Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 3.38Å; R579-L595 HydrophobicContact CG-CD1 4.39Å
580	T	89.4	Confident	88.2	Confident	66 Å²	66	73.2 Å²	73.2	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-43.3	179.9	52.7	0	0	0	0	111.5	T576 P577 L583 L584	T576-T580 WeakPolarHBondContact O-CG2 3.27Å; T576-T580 PolarHBondContact O-N 2.97Å; T576-T580 PolarHBondContact O-OG1 3.41Å; P577-T580 WeakPolarHBondContact CA-OG1 3.36Å; P577-T580 PolarHBondContact O-N 3.42Å; P577-T580 PolarHBondContact O-OG1 2.99Å; T580-L583 PolarHBondContact O-N 3Å; T580-L584 WeakPolarHBondContact O-CB 3.25Å; T580-L584 VanDerWaalsContact O-CG 3.29Å; T580-L584 WeakPolarHBondContact O-CG 3.46Å; T580-L584 PolarHBondContact O-N 2.94Å
581	N	87.1	Confident	87.1	Confident	92 Å²	92	79 Å²	79	49%	0.492	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-44.8	177.1	-75.7	-25.7	0	0	0	112.3	P577 E578 L584 Q585	P577-N581 VanDerWaalsContact O-CB 3.27Å; P577-N581 WeakPolarHBondContact O-CB 3.31Å; P577-N581 PolarHBondContact O-N 3.35Å; P577-N581 PolarHBondContact O-ND2 2.88Å; E578-N581 PolarHBondContact O-N 2.86Å; N581-L584 PolarHBondContact O-N 3.35Å; N581-Q585 WeakPolarHBondContact O-CG 3.4Å; N581-Q585 PolarHBondContact O-N 2.91Å
582	L	85.5	Confident	85.6	Confident	51 Å²	51	81.7 Å²	81.7	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-43.2	176.2	-75.2	171.9	0	0	0	111.8	L574 E578 L584 Q585 Q586 L595	L574-L582 HydrophobicContact CD1-CD1 3.58Å; L574-L582 HydrophobicContact CD2-CD1 4.25Å; E578-L582 WeakPolarHBondContact O-CB 2.99Å; E578-L582 WeakPolarHBondContact O-CG 3.41Å; E578-L582 PolarHBondContact O-N 3.29Å; L582-L584 VanDerWaalsContact C-N 3.34Å; L582-L584 PolarHBondContact O-N 2.88Å; L582-Q585 PolarHBondContact O-N 3.47Å; L582-Q586 WeakPolarHBondContact O-CB 3.18Å; L582-Q586 WeakPolarHBondContact O-CG 3.41Å; L582-Q586 PolarHBondContact O-N 3.22Å; L582-L595 HydrophobicContact CB-CD2 4.24Å
583	L	86.4	Confident	84.5	Confident	51 Å²	51	83.3 Å²	83.3	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.6	-78.3	171.8	0	0	0	112.3	R579 T580 Q586 R587 L595	R579-L583 HydrophobicContact CG-CD1 4.1Å; R579-L583 WeakPolarHBondContact O-CB 3.23Å; R579-L583 VanDerWaalsContact O-CG 3.3Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 3.38Å; T580-L583 PolarHBondContact O-N 3Å; L583-Q586 PolarHBondContact O-N 3.46Å; L583-R587 WeakPolarHBondContact O-CB 3.45Å; L583-R587 VanDerWaalsContact O-CG 3.3Å; L583-R587 WeakPolarHBondContact O-CG 3.45Å; L583-R587 PolarHBondContact O-N 3.26Å; L583-L595 HydrophobicContact CD2-CD1 3.99Å; L583-L595 HydrophobicContact CD2-CD2 4.01Å; L583-L595 HydrophobicContact CD2-CG 4.35Å; L583-L595 HydrophobicContact CG-CD1 4.25Å; L583-L595 HydrophobicContact CG-CD2 4.1Å
584	L	85.4	Confident	84	Confident	81 Å²	81	85.5 Å²	85.5	42%	0.424	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176	-73.1	169.8	0	0	0	111.6	T580 N581 L582 R587 R588	T580-L584 WeakPolarHBondContact O-CB 3.25Å; T580-L584 VanDerWaalsContact O-CG 3.29Å; T580-L584 WeakPolarHBondContact O-CG 3.46Å; T580-L584 PolarHBondContact O-N 2.94Å; N581-L584 PolarHBondContact O-N 3.35Å; L582-L584 VanDerWaalsContact C-N 3.34Å; L582-L584 PolarHBondContact O-N 2.88Å; L584-R587 PolarHBondContact O-N 2.94Å; L584-R588 WeakPolarHBondContact O-CG 3.4Å; L584-R588 PolarHBondContact O-N 3.28Å
585	Q	82.8	Confident	83.6	Confident	116 Å²	116	86.8 Å²	86.8	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.7	-75.5	177	-8.7	0	0	111.9	N581 L582 R587 R588 M589	N581-Q585 WeakPolarHBondContact O-CG 3.4Å; N581-Q585 PolarHBondContact O-N 2.91Å; L582-Q585 PolarHBondContact O-N 3.47Å; Q585-R587 VanDerWaalsContact C-N 3.32Å; Q585-R587 PolarHBondContact O-N 3.3Å; Q585-R588 PolarHBondContact O-N 3.42Å; Q585-R588 VanDerWaalsContact O-N 3.16Å; Q585-M589 WeakPolarHBondContact O-CB 3.24Å; Q585-M589 WeakPolarHBondContact O-CG 3.47Å; Q585-M589 PolarHBondContact O-N 2.02Å
586	Q	85.1	Confident	83.2	Confident	49 Å²	49	92.6 Å²	92.6	23%	0.229	45%	0.447	C	S	.	.	H	α-helix	trans	-59	-43.1	176.6	-74.6	-179.4	-16.3	0	0	112	L582 L583 R588 M589 R590 Q591 G593	L582-Q586 WeakPolarHBondContact O-CB 3.18Å; L582-Q586 WeakPolarHBondContact O-CG 3.41Å; L582-Q586 PolarHBondContact O-N 3.22Å; L583-Q586 PolarHBondContact O-N 3.46Å; Q586-R588 PolarHBondContact O-N 3.12Å; Q586-M589 PolarHBondContact O-N 3.25Å; Q586-R590 PolarHBondContact O-N 3.41Å; Q586-Q591 PolarHBondContact O-N 3.23Å; Q586-G593 PolarHBondContact NE2-O 3.31Å
587	R	83.9	Confident	82.9	Confident	188 Å²	188	98.3 Å²	98.3	71%	0.709	47%	0.471	S	S	*	.	H	α-helix	trans	-61.5	-42.1	175	-74.7	176.1	-176.3	-177.5	1.2	112.3	L583 L584 Q585	L583-R587 WeakPolarHBondContact O-CB 3.45Å; L583-R587 VanDerWaalsContact O-CG 3.3Å; L583-R587 WeakPolarHBondContact O-CG 3.45Å; L583-R587 PolarHBondContact O-N 3.26Å; L584-R587 PolarHBondContact O-N 2.94Å; Q585-R587 VanDerWaalsContact C-N 3.32Å; Q585-R587 PolarHBondContact O-N 3.3Å
588	R	83.5	Confident	82.7	Confident	201 Å²	201	98.1 Å²	98.1	76%	0.758	47%	0.469	S	S	*	.	H	α-helix	trans	-67.1	-42.9	178	-74.9	179.1	-175.9	-178.6	1.8	112.1	L584 Q585 Q586 R590	L584-R588 WeakPolarHBondContact O-CG 3.4Å; L584-R588 PolarHBondContact O-N 3.28Å; Q585-R588 PolarHBondContact O-N 3.42Å; Q585-R588 VanDerWaalsContact O-N 3.16Å; Q586-R588 PolarHBondContact O-N 3.12Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 2.95Å
589	M	79.1	Confident	82.4	Confident	125 Å²	125	102.4 Å²	102.4	62%	0.616	50%	0.498	S	S	*	.	H	α-helix	trans	-82.7	-4.4	-177.3	-62	-61.7	-73.3	0	0	113.4	Q585 Q586 Q591	Q585-M589 WeakPolarHBondContact O-CB 3.24Å; Q585-M589 WeakPolarHBondContact O-CG 3.47Å; Q585-M589 PolarHBondContact O-N 2.02Å; Q586-M589 PolarHBondContact O-N 3.25Å; M589-Q591 HydrophobicContact CB-CB 4.4Å; M589-Q591 HydrophobicContact CB-CG 4.03Å; M589-Q591 PolarHBondContact O-N 3.22Å; M589-Q591 VanDerWaalsContact O-N 3.14Å
590	R	76.9	Confident	82.3	Confident	232 Å²	232	100.6 Å²	100.6	88%	0.875	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	32.4	-173	-59.3	-177.7	-177.9	173.4	2.4	113	Q586 R588	Q586-R590 PolarHBondContact O-N 3.41Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 2.95Å
591	Q	71	Confident	82.3	Confident	128 Å²	128	99.1 Å²	99.1	60%	0.598	48%	0.483	S	S	*	.			trans	-98.1	131.9	179.3	-73.3	179.6	-5.3	0	0	110.4	Q586 M589 G593	Q586-Q591 PolarHBondContact O-N 3.23Å; M589-Q591 HydrophobicContact CB-CB 4.4Å; M589-Q591 HydrophobicContact CB-CG 4.03Å; M589-Q591 PolarHBondContact O-N 3.22Å; M589-Q591 VanDerWaalsContact O-N 3.14Å; Q591-G593 PolarHBondContact O-N 3.44Å
592	S	63	Low	82.4	Confident	132 Å²	132	101 Å²	101	92%	0.923	49%	0.49	S	S	*	.			trans	-94.8	61.8	176.9	34.5	0	0	0	0	111.3
593	G	70.1	Confident	82.6	Confident	34 Å²	34	100.2 Å²	100.2	35%	0.351	49%	0.494	S	S	.	.			trans	-88.1	144.9	174.5	0	0	0	0	0	112.7	Q586 Q591	Q586-G593 PolarHBondContact NE2-O 3.31Å; Q591-G593 PolarHBondContact O-N 3.44Å
594	S	82.3	Confident	82.9	Confident	58 Å²	58	100.5 Å²	100.5	41%	0.406	50%	0.498	S	S	.	.			trans	-71.7	131.9	173.9	179.4	0	0	0	0	111	R596 Q597	S594-R596 PolarHBondContact O-N 3.47Å; S594-R596 PolarHBondContact OG-N 2.91Å; S594-Q597 WeakPolarHBondContact O-CB 3.38Å; S594-Q597 PolarHBondContact O-N 2.93Å
595	L	83.3	Confident	83.1	Confident	33 Å²	33	101.7 Å²	101.7	17%	0.173	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.2	173.6	-67.5	177.5	0	0	0	113.3	L572 R579 L582 L583 Q597 N598	L572-L595 HydrophobicContact CD2-CB 3.86Å; R579-L595 HydrophobicContact CG-CD1 4.39Å; L582-L595 HydrophobicContact CB-CD2 4.24Å; L583-L595 HydrophobicContact CD2-CD1 3.99Å; L583-L595 HydrophobicContact CD2-CD2 4.01Å; L583-L595 HydrophobicContact CD2-CG 4.35Å; L583-L595 HydrophobicContact CG-CD1 4.25Å; L583-L595 HydrophobicContact CG-CD2 4.1Å; L595-Q597 VanDerWaalsContact C-N 3.26Å; L595-Q597 PolarHBondContact O-N 3.36Å; L595-N598 PolarHBondContact O-ND2 3.32Å
596	R	86	Confident	83.5	Confident	123 Å²	123	99.2 Å²	99.2	46%	0.464	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22	176.2	-63	-175.1	179	-176.1	-0.2	112.5	L572 S594 N598 N601	L572-R596 HydrophobicContact CD2-CG 3.95Å; S594-R596 PolarHBondContact O-N 3.47Å; S594-R596 PolarHBondContact OG-N 2.91Å; R596-N598 PolarHBondContact O-N 2.97Å; R596-N601 WeakPolarHBondContact O-CB 3.43Å; R596-N601 PolarHBondContact O-ND2 3.25Å
597	Q	85.1	Confident	83.8	Confident	163 Å²	163	97.5 Å²	97.5	76%	0.762	49%	0.489	S	S	*	.			trans	-87.4	83.1	176.9	-67.2	174.7	-8.3	0	0	108.7	S594 L595	S594-Q597 WeakPolarHBondContact O-CB 3.38Å; S594-Q597 PolarHBondContact O-N 2.93Å; L595-Q597 VanDerWaalsContact C-N 3.26Å; L595-Q597 PolarHBondContact O-N 3.36Å
598	N	87.4	Confident	84.2	Confident	23 Å²	23	91 Å²	91	12%	0.123	47%	0.468	C	S	.	.	S	Bend	trans	-144	156.3	177.4	75.3	71.9	0	0	0	109.4	L572 L574 L595 R596 F600 N601	L572-N598 PolarHBondContact O-ND2 3.48Å; L574-N598 HydrophobicContact CD2-CB 4.38Å; L595-N598 PolarHBondContact O-ND2 3.32Å; R596-N598 PolarHBondContact O-N 2.97Å; N598-F600 PolarHBondContact O-N 3.47Å; N598-F600 VanDerWaalsContact O-N 3.12Å; N598-F600 WeakPolarHBondContact OD1-CA 3.4Å; N598-F600 WeakPolarHBondContact OD1-CB 3.39Å; N598-F600 PolarHBondContact OD1-N 3.18Å; N598-N601 PolarHBondContact O-N 2.92Å; N598-N601 PolarHBondContact OD1-N 3.37Å
599	P	85.4	Confident	84.5	Confident	114 Å²	114	81.9 Å²	81.9	74%	0.74	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.9	-173.2	28.2	-36.2	0	0	0	114.3
600	F	88.8	Confident	84.9	Confident	52 Å²	52	77 Å²	77	23%	0.228	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.3	-178.4	-52	-59.7	0	0	0	113.2	L461 R462 L574 N598 M602 W627	L461-F600 HydrophobicContact CD1-CZ 4.4Å; L461-F600 HydrophobicContact CD2-CE1 4.2Å; L461-F600 HydrophobicContact CG-CE1 4.4Å; L461-F600 HydrophobicContact CG-CZ 4.46Å; R462-F600 HydrophobicContact CG-CE1 4.02Å; R462-F600 HydrophobicContact CG-CE2 4.28Å; R462-F600 HydrophobicContact CG-CZ 3.81Å; L574-F600 HydrophobicContact CD2-CB 4.44Å; L574-F600 HydrophobicContact CD2-CD2 3.82Å; N598-F600 PolarHBondContact O-N 3.47Å; N598-F600 VanDerWaalsContact O-N 3.12Å; N598-F600 WeakPolarHBondContact OD1-CA 3.4Å; N598-F600 WeakPolarHBondContact OD1-CB 3.39Å; N598-F600 PolarHBondContact OD1-N 3.18Å; F600-M602 PolarHBondContact O-N 2.97Å; F600-W627 HydrophobicContact CD1-CH2 4.31Å; F600-W627 HydrophobicContact CE1-CZ3 4.49Å
601	N	90.5	Very high	85.6	Confident	35 Å²	35	67 Å²	67	19%	0.187	38%	0.376	C	S	.	.			trans	-86.3	108.4	179.4	-168.8	10	0	0	0	110.8	F571 L572 R596 N598 G603 N607	F571-N601 PolarHBondContact O-ND2 3.29Å; L572-N601 WeakPolarHBondContact O-CB 3.35Å; R596-N601 WeakPolarHBondContact O-CB 3.43Å; R596-N601 PolarHBondContact O-ND2 3.25Å; N598-N601 PolarHBondContact O-N 2.92Å; N598-N601 PolarHBondContact OD1-N 3.37Å; N601-G603 PolarHBondContact OD1-N 3.09Å; N601-N607 PolarHBondContact OD1-ND2 3.34Å
602	M	88.6	Confident	86.6	Confident	133 Å²	133	63.8 Å²	63.8	66%	0.655	36%	0.36	S	S	*	.			trans	-96	8.7	178.9	-57.8	-59.8	-66.6	0	0	112.8	F600 Q606 N607	F600-M602 PolarHBondContact O-N 2.97Å; M602-Q606 HydrophobicContact CB-CB 3.9Å; M602-Q606 HydrophobicContact CB-CG 3.78Å; M602-N607 PolarHBondContact N-OD1 2.89Å
603	G	91.1	Very high	87.7	Confident	33 Å²	33	61.7 Å²	61.7	34%	0.34	34%	0.336	S	S	.	.			trans	89.5	157.5	-171.5	0	0	0	0	0	113	N601 V605 Q606 N607	N601-G603 PolarHBondContact OD1-N 3.09Å; G603-V605 PolarHBondContact O-N 3.07Å; G603-Q606 PolarHBondContact O-N 3.43Å; G603-N607 WeakPolarHBondContact O-CB 3.1Å; G603-N607 PolarHBondContact O-N 2.92Å; G603-N607 PolarHBondContact O-ND2 2.95Å
604	V	92	Very high	88.4	Confident	58 Å²	58	64.5 Å²	64.5	35%	0.352	34%	0.342	S	S	.	.	H	α-helix	trans	-53.9	-50.5	-167.6	176	0	0	0	0	113.2	A570 F571 L608	A570-V604 HydrophobicContact CB-CG1 4.24Å; A570-V604 VanDerWaalsContact O-CA 3.31Å; A570-V604 WeakPolarHBondContact O-CA 3.15Å; F571-V604 HydrophobicContact CD1-CG2 3.63Å; F571-V604 HydrophobicContact CE1-CG2 3.76Å; F571-V604 HydrophobicContact CG-CG2 4.25Å; F571-V604 HydrophobicContact CZ-CG2 4.47Å; V604-L608 HydrophobicContact CG1-CD1 4.14Å; V604-L608 WeakPolarHBondContact O-CG 3.22Å; V604-L608 PolarHBondContact O-N 3.43Å; V604-L608 VanDerWaalsContact O-N 3.15Å
605	V	90.4	Very high	88.4	Confident	106 Å²	106	71.5 Å²	71.5	64%	0.642	36%	0.36	S	S	*	.	H	α-helix	trans	-65.3	-49.9	-177.2	178.9	0	0	0	0	110.9	G603 N607 L608 V609	G603-V605 PolarHBondContact O-N 3.07Å; V605-N607 VanDerWaalsContact C-N 3.34Å; V605-N607 PolarHBondContact O-N 3.33Å; V605-L608 PolarHBondContact O-N 2.94Å; V605-V609 HydrophobicContact CG1-CG2 4.28Å; V605-V609 WeakPolarHBondContact O-CB 3.37Å; V605-V609 VanDerWaalsContact O-CG2 3.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.35Å; V605-V609 PolarHBondContact O-N 2.9Å
606	Q	89.3	Confident	88	Confident	64 Å²	64	73.1 Å²	73.1	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-35.9	-176.4	-170.2	61.1	27.6	0	0	112.2	M602 G603 S610 K621	M602-Q606 HydrophobicContact CB-CB 3.9Å; M602-Q606 HydrophobicContact CB-CG 3.78Å; G603-Q606 PolarHBondContact O-N 3.43Å; Q606-S610 PolarHBondContact NE2-OG 2.81Å; Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.21Å; Q606-S610 PolarHBondContact O-N 3.45Å; Q606-S610 PolarHBondContact O-OG 3.35Å; Q606-K621 PolarHBondContact NE2-O 3.4Å; Q606-K621 VanDerWaalsContact NE2-O 3.13Å
607	N	91.9	Very high	87.3	Confident	13 Å²	13	73.5 Å²	73.5	7%	0.07	39%	0.393	C	S	.	.	H	α-helix	trans	-60.9	-48.1	174	-71.4	-14.1	0	0	0	111.1	I569 A570 N601 M602 G603 V605 S610 F611	I569-N607 WeakPolarHBondContact O-CB 3.37Å; I569-N607 PolarHBondContact O-ND2 3.45Å; A570-N607 PolarHBondContact O-ND2 3.4Å; N601-N607 PolarHBondContact OD1-ND2 3.34Å; M602-N607 PolarHBondContact N-OD1 2.89Å; G603-N607 WeakPolarHBondContact O-CB 3.1Å; G603-N607 PolarHBondContact O-N 2.92Å; G603-N607 PolarHBondContact O-ND2 2.95Å; V605-N607 VanDerWaalsContact C-N 3.34Å; V605-N607 PolarHBondContact O-N 3.33Å; N607-S610 PolarHBondContact O-N 3.01Å; N607-F611 WeakPolarHBondContact O-CB 3.44Å; N607-F611 PolarHBondContact O-N 2.98Å
608	L	92.1	Very high	86.4	Confident	50 Å²	50	68.5 Å²	68.5	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-46	179.3	-73.3	172	0	0	0	112.2	I569 A570 V604 V605 S610 F611 F612	I569-L608 HydrophobicContact CG2-CD2 4.42Å; A570-L608 HydrophobicContact CB-CD1 4.14Å; A570-L608 HydrophobicContact CB-CD2 3.88Å; A570-L608 HydrophobicContact CB-CG 3.91Å; V604-L608 HydrophobicContact CG1-CD1 4.14Å; V604-L608 WeakPolarHBondContact O-CG 3.22Å; V604-L608 PolarHBondContact O-N 3.43Å; V604-L608 VanDerWaalsContact O-N 3.15Å; V605-L608 PolarHBondContact O-N 2.94Å; L608-S610 VanDerWaalsContact C-N 3.31Å; L608-S610 PolarHBondContact O-N 3.44Å; L608-F611 PolarHBondContact O-N 3.32Å; L608-F612 HydrophobicContact CD2-CD2 4.34Å; L608-F612 HydrophobicContact CD2-CE2 4.01Å; L608-F612 PolarHBondContact O-N 3.44Å
609	V	90.4	Very high	85.5	Confident	10 Å²	10	74.8 Å²	74.8	6%	0.061	42%	0.418	C	S	.	.	H	α-helix	trans	-57.5	-45.7	176.6	165.6	0	0	0	0	110.9	V605 Q613 L614 C620 P622	V605-V609 HydrophobicContact CG1-CG2 4.28Å; V605-V609 WeakPolarHBondContact O-CB 3.37Å; V605-V609 VanDerWaalsContact O-CG2 3.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.35Å; V605-V609 PolarHBondContact O-N 2.9Å; V609-Q613 WeakPolarHBondContact O-CA 3.29Å; V609-Q613 PolarHBondContact O-N 2.89Å; V609-L614 PolarHBondContact O-N 3.47Å; V609-C620 HydrophobicContact CG1-CB 3.78Å; V609-C620 HydrophobicContact CG2-CB 4.22Å; V609-P622 HydrophobicContact CG1-CB 4.43Å
610	S	88.4	Confident	84.9	Confident	22 Å²	22	71.1 Å²	71.1	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-71.8	-35.3	-180	-55.3	0	0	0	0	112.3	Q606 N607 L608 Q613 A623	Q606-S610 PolarHBondContact NE2-OG 2.81Å; Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.21Å; Q606-S610 PolarHBondContact O-N 3.45Å; Q606-S610 PolarHBondContact O-OG 3.35Å; N607-S610 PolarHBondContact O-N 3.01Å; L608-S610 VanDerWaalsContact C-N 3.31Å; L608-S610 PolarHBondContact O-N 3.44Å; S610-Q613 PolarHBondContact O-NE2 2.96Å; S610-A623 PolarHBondContact OG-N 3.29Å
611	F	91.7	Very high	84.2	Confident	24 Å²	24	76.3 Å²	76.3	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-69.2	-48.7	179.2	-177.5	-95.1	0	0	0	112.6	H492 V496 I569 N607 L608 Q613	H492-F611 HydrophobicContact CB-CE2 3.94Å; H492-F611 HydrophobicContact CB-CZ 4.01Å; H492-F611 AromaticContact CG-CE2 3.64Å; H492-F611 AromaticContact CG-CZ 3.71Å; H492-F611 AromaticContact ND1-CE2 3.51Å; V496-F611 HydrophobicContact CB-CE1 4.4Å; V496-F611 HydrophobicContact CG2-CE1 4.01Å; V496-F611 HydrophobicContact CG2-CZ 3.91Å; I569-F611 HydrophobicContact CD1-CD1 4.21Å; I569-F611 HydrophobicContact CD1-CD2 4.15Å; I569-F611 HydrophobicContact CD1-CE1 3.68Å; I569-F611 HydrophobicContact CD1-CE2 3.6Å; I569-F611 HydrophobicContact CD1-CG 4.42Å; I569-F611 HydrophobicContact CD1-CZ 3.34Å; I569-F611 HydrophobicContact CG1-CD2 4.08Å; I569-F611 HydrophobicContact CG1-CE2 3.87Å; I569-F611 HydrophobicContact CG1-CZ 4.13Å; I569-F611 HydrophobicContact CG2-CB 3.68Å; I569-F611 HydrophobicContact CG2-CD1 3.91Å; I569-F611 HydrophobicContact CG2-CD2 3.7Å; I569-F611 HydrophobicContact CG2-CE1 4.48Å; I569-F611 HydrophobicContact CG2-CE2 4.3Å; I569-F611 HydrophobicContact CG2-CG 3.48Å; I569-F611 VanDerWaalsContact CG2-CG 3.48Å; N607-F611 WeakPolarHBondContact O-CB 3.44Å; N607-F611 PolarHBondContact O-N 2.98Å; L608-F611 PolarHBondContact O-N 3.32Å; F611-Q613 VanDerWaalsContact C-N 3.3Å
612	F	90.3	Very high	83.6	Confident	60 Å²	60	75.6 Å²	75.6	26%	0.263	41%	0.414	S	S	.	.	H	α-helix	trans	-86.3	1	-179.5	-72.6	-70.8	0	0	0	113.6	V496 L497 L566 L608 L614	V496-F612 HydrophobicContact CG1-CE1 4.38Å; V496-F612 HydrophobicContact CG1-CZ 3.96Å; L497-F612 HydrophobicContact CD2-CE1 4.37Å; L497-F612 HydrophobicContact CG-CE1 4.41Å; L566-F612 HydrophobicContact CD2-CZ 4.44Å; L608-F612 HydrophobicContact CD2-CD2 4.34Å; L608-F612 HydrophobicContact CD2-CE2 4.01Å; L608-F612 PolarHBondContact O-N 3.44Å; F612-L614 HydrophobicContact CB-CD1 4.14Å; F612-L614 HydrophobicContact CB-CD2 3.99Å; F612-L614 HydrophobicContact CB-CG 3.71Å; F612-L614 PolarHBondContact O-N 3.4Å
613	Q	86.7	Confident	82.8	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.411	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	36.8	-179	-61	-65.7	-29.1	0	0	112.9	V609 S610 F611 R615	V609-Q613 WeakPolarHBondContact O-CA 3.29Å; V609-Q613 PolarHBondContact O-N 2.89Å; S610-Q613 PolarHBondContact O-NE2 2.96Å; F611-Q613 VanDerWaalsContact C-N 3.3Å; Q613-R615 PolarHBondContact O-N 3.42Å
614	L	84.4	Confident	82	Confident	92 Å²	92	75.3 Å²	75.3	48%	0.482	42%	0.419	S	S	.	.			trans	-72.2	125.1	-176.5	-59.4	175.1	0	0	0	110.2	V609 F612	V609-L614 PolarHBondContact O-N 3.47Å; F612-L614 HydrophobicContact CB-CD1 4.14Å; F612-L614 HydrophobicContact CB-CD2 3.99Å; F612-L614 HydrophobicContact CB-CG 3.71Å; F612-L614 PolarHBondContact O-N 3.4Å
615	R	82.9	Confident	81.6	Confident	206 Å²	206	75.1 Å²	75.1	78%	0.777	42%	0.417	S	S	*	.			trans	-112.9	121.3	172.4	-63	-176.7	-177.9	-163.9	0.2	108.4	Q613 P622	Q613-R615 PolarHBondContact O-N 3.42Å; R615-P622 HydrophobicContact CG-CG 4.22Å
616	C	75.1	Confident	81.4	Confident	66 Å²	66	73.8 Å²	73.8	45%	0.446	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-127	95.7	176.4	-174.6	0	0	0	0	108.7	G618 L619 C620	C616-G618 PolarHBondContact O-N 3.17Å; C616-L619 PolarHBondContact O-N 3.33Å; C616-C620 HydrophobicContact CB-CB 4.22Å; C616-C620 PolarHBondContact O-N 2.89Å
617	C	70.7	Confident	81.4	Confident	132 Å²	132	73 Å²	73	89%	0.892	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	35.5	168.1	-55.7	0	0	0	0	116.3	L619	C617-L619 PolarHBondContact O-N 2.92Å
618	G	67	Low	81.3	Confident	58 Å²	58	73.8 Å²	73.8	60%	0.598	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-11.6	-178.9	0	0	0	0	0	116.8	C616	C616-G618 PolarHBondContact O-N 3.17Å
619	L	67.9	Low	81	Confident	155 Å²	155	74.1 Å²	74.1	81%	0.812	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-32	176.5	-67.2	169.7	0	0	0	112.7	C616 C617	C616-L619 PolarHBondContact O-N 3.33Å; C617-L619 PolarHBondContact O-N 2.92Å
620	C	73.2	Confident	80.7	Confident	37 Å²	37	77.6 Å²	77.6	25%	0.25	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-113.8	111.2	176.7	-64	0	0	0	0	109.4	V609 C616	V609-C620 HydrophobicContact CG1-CB 3.78Å; V609-C620 HydrophobicContact CG2-CB 4.22Å; C616-C620 HydrophobicContact CB-CB 4.22Å; C616-C620 PolarHBondContact O-N 2.89Å
621	K	73.8	Confident	80.4	Confident	161 Å²	161	79.9 Å²	79.9	70%	0.7	44%	0.439	S	S	*	.			trans	-106.4	106.8	170.6	-69.9	-176	-177.5	177.7	0	108.7	Q606	Q606-K621 PolarHBondContact NE2-O 3.4Å; Q606-K621 VanDerWaalsContact NE2-O 3.13Å
622	P	77	Confident	79.3	Confident	20 Å²	20	84.3 Å²	84.3	13%	0.13	46%	0.46	C	S	.	.			trans	-66.7	136.3	176.9	27.2	-32.7	0	0	0	109.7	V609 R615 V624	V609-P622 HydrophobicContact CG1-CB 4.43Å; R615-P622 HydrophobicContact CG-CG 4.22Å; P622-V624 HydrophobicContact CG-CG2 4.47Å; P622-V624 PolarHBondContact O-N 3.25Å
623	A	72.1	Confident	77.6	Confident	55 Å²	55	86.1 Å²	86.1	46%	0.455	48%	0.478	S	S	.	.			trans	-73.9	96.8	169	0	0	0	0	0	108.3	S610 V625	S610-A623 PolarHBondContact OG-N 3.29Å; A623-V625 HydrophobicContact CB-CG2 4.43Å; A623-V625 PolarHBondContact O-N 3.39Å
624	V	74.3	Confident	75.8	Confident	105 Å²	105	91.3 Å²	91.3	64%	0.636	50%	0.502	S	S	*	.			trans	-80.7	98.9	174.1	-174.2	0	0	0	0	107.7	P622	P622-V624 HydrophobicContact CG-CG2 4.47Å; P622-V624 PolarHBondContact O-N 3.25Å
625	V	83.3	Confident	74	Confident	53 Å²	53	93 Å²	93	32%	0.321	50%	0.502	S	S	.	.			trans	-111	121	177.7	-178.6	0	0	0	0	108.5	A623 W627 Q630	A623-V625 HydrophobicContact CB-CG2 4.43Å; A623-V625 PolarHBondContact O-N 3.39Å; V625-W627 HydrophobicContact CB-CD2 4.43Å; V625-W627 HydrophobicContact CB-CZ2 4.03Å; V625-W627 HydrophobicContact CG1-CD2 3.85Å; V625-W627 HydrophobicContact CG1-CE3 4.09Å; V625-W627 HydrophobicContact CG1-CG 4.37Å; V625-W627 HydrophobicContact CG1-CH2 4.14Å; V625-W627 HydrophobicContact CG1-CZ2 3.9Å; V625-W627 HydrophobicContact CG1-CZ3 4.22Å; V625-W627 HydrophobicContact CG2-CZ2 4.4Å; V625-W627 VanDerWaalsContact O-CD1 3.32Å; V625-W627 PolarHBondContact O-N 3.48Å; V625-W627 VanDerWaalsContact O-N 3.11Å; V625-Q630 HydrophobicContact CG1-CG 3.48Å; V625-Q630 VanDerWaalsContact CG1-CG 3.48Å
626	D	87	Confident	72.2	Confident	78 Å²	78	84.6 Å²	84.6	42%	0.417	47%	0.473	S	S	.	.			trans	-79.8	89.5	170.1	-171.7	-0.2	0	0	0	110.5	R490 T628 A629 Q630	R490-D626 IonicContact NH2-OD1 2.69Å; D626-T628 VanDerWaalsContact CG-OG1 3.23Å; D626-T628 PolarHBondContact O-N 3.4Å; D626-T628 WeakPolarHBondContact OD1-CB 3.49Å; D626-T628 PolarHBondContact OD1-N 3.34Å; D626-T628 PolarHBondContact OD1-OG1 2.85Å; D626-T628 PolarHBondContact OD2-OG1 3.32Å; D626-A629 PolarHBondContact O-N 2.93Å; D626-Q630 WeakPolarHBondContact O-CG 3.29Å; D626-Q630 PolarHBondContact O-N 2.78Å
627	W	89.5	Confident	70.5	Confident	47 Å²	47	88.6 Å²	88.6	18%	0.178	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.2	179	-63	103.3	0	0	0	114.2	P460 L461 R462 A474 K475 A489 F600 V625 A629 Q630	P460-W627 WeakPolarHBondContact CB-O 3.46Å; L461-W627 HydrophobicContact CD2-CZ3 4.19Å; L461-W627 HydrophobicContact CG-CZ3 4.49Å; R462-W627 HydrophobicContact CG-CE3 4.21Å; R462-W627 HydrophobicContact CG-CZ3 4.11Å; A474-W627 HydrophobicContact CB-CB 4.13Å; K475-W627 HydrophobicContact CB-CB 4.3Å; K475-W627 HydrophobicContact CB-CG 4.23Å; K475-W627 HydrophobicContact CD-CG 4.3Å; A489-W627 HydrophobicContact CB-CB 4.26Å; F600-W627 HydrophobicContact CD1-CH2 4.31Å; F600-W627 HydrophobicContact CE1-CZ3 4.49Å; V625-W627 HydrophobicContact CB-CD2 4.43Å; V625-W627 HydrophobicContact CB-CZ2 4.03Å; V625-W627 HydrophobicContact CG1-CD2 3.85Å; V625-W627 HydrophobicContact CG1-CE3 4.09Å; V625-W627 HydrophobicContact CG1-CG 4.37Å; V625-W627 HydrophobicContact CG1-CH2 4.14Å; V625-W627 HydrophobicContact CG1-CZ2 3.9Å; V625-W627 HydrophobicContact CG1-CZ3 4.22Å; V625-W627 HydrophobicContact CG2-CZ2 4.4Å; V625-W627 VanDerWaalsContact O-CD1 3.32Å; V625-W627 PolarHBondContact O-N 3.48Å; V625-W627 VanDerWaalsContact O-N 3.11Å; W627-A629 VanDerWaalsContact C-N 3.29Å; W627-Q630 HydrophobicContact CE3-CB 4.44Å; W627-Q630 HydrophobicContact CE3-CG 4.35Å
628	T	88.8	Confident	69.1	Low	31 Å²	31	91.9 Å²	91.9	19%	0.19	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17	174.2	68.2	0	0	0	0	113.1	I426 P460 A474 D626	I426-T628 HydrophobicContact CD1-CG2 4.16Å; P460-T628 WeakPolarHBondContact CG-O 3.34Å; A474-T628 HydrophobicContact CB-CG2 3.67Å; D626-T628 VanDerWaalsContact CG-OG1 3.23Å; D626-T628 PolarHBondContact O-N 3.4Å; D626-T628 WeakPolarHBondContact OD1-CB 3.49Å; D626-T628 PolarHBondContact OD1-N 3.34Å; D626-T628 PolarHBondContact OD1-OG1 2.85Å; D626-T628 PolarHBondContact OD2-OG1 3.32Å
629	A	85.8	Confident	67.9	Low	57 Å²	57	91.3 Å²	91.3	47%	0.471	46%	0.463	S	S	.	.	S	Bend	trans	-127.4	7.6	-174.8	0	0	0	0	0	114.1	D626 W627 F631	D626-A629 PolarHBondContact O-N 2.93Å; W627-A629 VanDerWaalsContact C-N 3.29Å; A629-F631 WeakPolarHBondContact O-CD2 3.44Å; A629-F631 WeakPolarHBondContact O-CE2 3.27Å
630	Q	85.3	Confident	66.6	Low	82 Å²	82	88.2 Å²	88.2	38%	0.383	44%	0.443	S	S	.	.			trans	-83.5	133.6	175.7	-67.5	-59.3	-53.8	0	0	110.9	P460 L461 V625 D626 W627	P460-Q630 CarbonylContact C-O 3.43Å; P460-Q630 VanDerWaalsContact CA-O 3.25Å; P460-Q630 WeakPolarHBondContact CA-O 3.3Å; P460-Q630 WeakPolarHBondContact CB-O 3.36Å; L461-Q630 HydrophobicContact CB-CB 4.08Å; L461-Q630 WeakPolarHBondContact CB-O 3.49Å; L461-Q630 PolarHBondContact N-O 2.95Å; V625-Q630 HydrophobicContact CG1-CG 3.48Å; V625-Q630 VanDerWaalsContact CG1-CG 3.48Å; D626-Q630 WeakPolarHBondContact O-CG 3.29Å; D626-Q630 PolarHBondContact O-N 2.78Å; W627-Q630 HydrophobicContact CE3-CB 4.44Å; W627-Q630 HydrophobicContact CE3-CG 4.35Å
631	F	82.5	Confident	65	Low	70 Å²	70	91.4 Å²	91.4	31%	0.307	46%	0.458	S	S	.	.			trans	-130.2	162.9	174.9	-58.8	-80.5	0	0	0	110.4	R458 P460 A629 D636	R458-F631 HydrophobicContact CB-CE1 4.19Å; R458-F631 HydrophobicContact CG-CD1 3.94Å; R458-F631 HydrophobicContact CG-CE1 3.68Å; R458-F631 VanDerWaalsContact NE-CD1 3.31Å; P460-F631 HydrophobicContact CB-CE1 4.19Å; P460-F631 HydrophobicContact CG-CE1 4Å; P460-F631 HydrophobicContact CG-CZ 4.17Å; A629-F631 WeakPolarHBondContact O-CD2 3.44Å; A629-F631 WeakPolarHBondContact O-CE2 3.27Å; F631-D636 WeakPolarHBondContact CB-OD2 3.29Å
632	Q	67.3	Low	63.3	Low	117 Å²	117	89.4 Å²	89.4	55%	0.547	45%	0.451	S	S	.	.			trans	-70.3	126	-176.3	-79.8	-176.2	-28.5	0	0	112	L461 Q634	L461-Q632 HydrophobicContact CD1-CG 3.79Å; Q632-Q634 PolarHBondContact O-N 3.43Å
633	P	54.4	Low	61.5	Low	98 Å²	98	92.5 Å²	92.5	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-63.7	-32.7	-174.8	-19.9	28.6	0	0	0	115.1	R635	P633-R635 PolarHBondContact O-N 2.7Å
634	Q	49.5	Very low	59.7	Low	197 Å²	197	96.4 Å²	96.4	92%	0.921	48%	0.479	S	S	*	.	H	α-helix	trans	-79.7	-8	-164.7	-80.9	177.7	-15.5	0	0	116	Q632	Q632-Q634 PolarHBondContact O-N 3.43Å
635	R	46.4	Very low	57.7	Low	128 Å²	128	98.8 Å²	98.8	48%	0.483	49%	0.485	S	S	.	.	H	α-helix	trans	-111	-20.6	172	-95	-178.5	177.3	-173.5	0.3	113.6	P633 L639	P633-R635 PolarHBondContact O-N 2.7Å; R635-L639 WeakPolarHBondContact O-CD1 3.48Å
636	D	45.3	Very low	55.2	Low	30 Å²	30	105.5 Å²	105.5	16%	0.16	53%	0.525	C	S	.	.	H	α-helix	trans	-85.9	-39.8	-168.6	-71.2	-32	0	0	0	113.5	R458 F631 Y638 L639 F640	R458-D636 IonicContact CZ-OD1 3.41Å; R458-D636 IonicContact CZ-OD2 2.71Å; R458-D636 IonicContact NH1-OD1 3.48Å; R458-D636 PolarHBondContact NH1-OD1 3.16Å; R458-D636 IonicContact NH1-OD2 2.71Å; R458-D636 PolarHBondContact NH1-OD2 3.38Å; R458-D636 IonicContact NH2-OD1 3.8Å; R458-D636 PolarHBondContact NH2-OD1 3.27Å; R458-D636 IonicContact NH2-OD2 3.44Å; R458-D636 PolarHBondContact NH2-OD2 3.36Å; F631-D636 WeakPolarHBondContact CB-OD2 3.29Å; D636-Y638 PolarHBondContact O-N 3.3Å; D636-L639 PolarHBondContact O-N 3.18Å; D636-F640 HydrophobicContact CB-CD2 4.18Å; D636-F640 HydrophobicContact CB-CE2 4.3Å; D636-F640 VanDerWaalsContact O-CD2 3.28Å; D636-F640 WeakPolarHBondContact O-CD2 3.35Å; D636-F640 PolarHBondContact O-N 2.95Å; D636-F640 VanDerWaalsContact O-N 3.07Å
637	Q	39.6	Very low	53.6	Low	149 Å²	149	106.9 Å²	106.9	70%	0.696	53%	0.531	S	S	*	.	H	α-helix	trans	-71	-33.2	-169.1	-152.2	158.1	2	0	0	113.2
638	Y	40.5	Very low	51.8	Low	202 Å²	202	110 Å²	110	79%	0.792	55%	0.549	S	S	*	.	H	α-helix	trans	-79.5	-21.5	177.5	-134.4	-90	0	0	0	113.5	D636	D636-Y638 PolarHBondContact O-N 3.3Å
639	L	42.2	Very low	49.7	Very low	45 Å²	45	114.4 Å²	114.4	24%	0.236	57%	0.569	C	S	.	*	H	α-helix	trans	-92.4	-35.7	-175.4	-93	158.9	0	0	0	112.5	A443 R635 D636 Q642 I643	A443-L639 HydrophobicContact CB-CD1 3.86Å; A443-L639 HydrophobicContact CB-CD2 3.59Å; A443-L639 HydrophobicContact CB-CG 4.3Å; R635-L639 WeakPolarHBondContact O-CD1 3.48Å; D636-L639 PolarHBondContact O-N 3.18Å; L639-Q642 PolarHBondContact O-N 3.23Å; L639-I643 WeakPolarHBondContact O-CG1 3.28Å; L639-I643 PolarHBondContact O-N 2.94Å
640	F	41.4	Very low	47.6	Very low	90 Å²	90	117.8 Å²	117.8	40%	0.395	58%	0.575	S	S	.	*	H	α-helix	trans	-74.2	-29.2	176	-80.7	-74.8	0	0	0	113.4	V439 D636 Q642 I643 N644	V439-F640 HydrophobicContact CG1-CE1 4.31Å; V439-F640 HydrophobicContact CG1-CZ 4.18Å; D636-F640 HydrophobicContact CB-CD2 4.18Å; D636-F640 HydrophobicContact CB-CE2 4.3Å; D636-F640 VanDerWaalsContact O-CD2 3.28Å; D636-F640 WeakPolarHBondContact O-CD2 3.35Å; D636-F640 PolarHBondContact O-N 2.95Å; D636-F640 VanDerWaalsContact O-N 3.07Å; F640-Q642 PolarHBondContact O-N 3.19Å; F640-I643 HydrophobicContact CD1-CD1 4.43Å; F640-I643 PolarHBondContact O-N 2.91Å; F640-N644 PolarHBondContact O-N 3.27Å
641	D	38.9	Very low	45.2	Very low	105 Å²	105	120 Å²	120	56%	0.561	59%	0.587	S	S	*	*	H	α-helix	trans	-69	-20.8	174	-77.4	-13.4	0	0	0	112.7
642	Q	38.7	Very low	42.7	Very low	118 Å²	118	123.3 Å²	123.3	55%	0.551	61%	0.606	S	S	*	*	H	α-helix	trans	-82.9	-30	172.7	-76.8	-170.4	-20.2	0	0	113.5	L639 F640 N644 M645	L639-Q642 PolarHBondContact O-N 3.23Å; F640-Q642 PolarHBondContact O-N 3.19Å; Q642-N644 VanDerWaalsContact C-N 3.32Å; Q642-M645 PolarHBondContact O-N 3.19Å
643	I	39.7	Very low	41	Very low	86 Å²	86	123.8 Å²	123.8	44%	0.441	61%	0.61	S	S	.	*	H	α-helix	trans	-74.1	-25.7	-179	-64.6	167.7	0	0	0	111.4	V439 L639 F640 M645	V439-I643 HydrophobicContact CG1-CD1 4.22Å; L639-I643 WeakPolarHBondContact O-CG1 3.28Å; L639-I643 PolarHBondContact O-N 2.94Å; F640-I643 HydrophobicContact CD1-CD1 4.43Å; F640-I643 PolarHBondContact O-N 2.91Å; I643-M645 VanDerWaalsContact C-N 3.26Å; I643-M645 PolarHBondContact O-N 3.05Å
644	N	33.6	Very low	39.9	Very low	137 Å²	137	125.8 Å²	125.8	73%	0.733	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	5.5	174.2	-70.5	-33	0	0	0	114	F640 Q642	F640-N644 PolarHBondContact O-N 3.27Å; Q642-N644 VanDerWaalsContact C-N 3.32Å
645	M	32.6	Very low	39.2	Very low	154 Å²	154	119.8 Å²	119.8	76%	0.759	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	15.2	-179.9	-70.6	-157.1	-70.9	0	0	114.3	Q642 I643	Q642-M645 PolarHBondContact O-N 3.19Å; I643-M645 VanDerWaalsContact C-N 3.26Å; I643-M645 PolarHBondContact O-N 3.05Å
646	V	30.8	Very low	38.5	Very low	194 Å²	194	119.1 Å²	119.1	100%	1.176	59%	0.591	S	S	*	*			trans	-124.5	0	174.1	-177.4	0	0	0	0	111.2

Retrieved 646 of 646 residues in 1094.6 ms (Link to these results)

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