A0A087XLV8_POEFO Loading...

Otopetrin 2

AlphaFold DB , UniProt , Accession A0A087XLV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.8	Very low	35.1	Very low	239 Å²	239	144.5 Å²	144.5	100%	1.177	82%	0.82	S	S	*	*				0	105.4	0	-84.6	172.6	169.9	0	0	107.3
2	C	28.2	Very low	35.2	Very low	134 Å²	134	145.2 Å²	145.2	91%	0.905	82%	0.818	S	S	*	*			trans	-113.1	128.7	166.8	-69.3	0	0	0	0	106.3
3	I	31.7	Very low	35.8	Very low	165 Å²	165	143.8 Å²	143.8	85%	0.846	82%	0.815	S	S	*	*			trans	-98	100.1	-174.1	-65.1	173.8	0	0	0	108.3
4	N	37.7	Very low	35.7	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	81%	0.81	S	S	*	*			trans	66.2	160.4	144.3	-121.7	14.5	0	0	0	121
5	P	46.9	Very low	36.2	Very low	111 Å²	111	137 Å²	137	72%	0.721	81%	0.81	S	S	*	*				-129.7	160.1	-90.7	39.7	-23.8	0	0	0	113.1
6	G	31.1	Very low	36.1	Very low	61 Å²	61	137.9 Å²	137.9	63%	0.629	81%	0.811	S	S	*	*	S	Bend	trans	-160.6	-32.8	172.6	0	0	0	0	0	116.4
7	Y	37.5	Very low	36.1	Very low	204 Å²	204	140.3 Å²	140.3	80%	0.8	82%	0.818	S	S	*	*			trans	-143.9	139.7	-175.2	-60.9	-78.1	0	0	0	112	C9	Y7-C9 PolarHBondContact O-N 3.01Å
8	P	31.5	Very low	36.1	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	81%	0.814	S	S	*	*			trans	-74.1	116.1	177.1	29.5	-30.4	0	0	0	109.6
9	C	37.6	Very low	36.1	Very low	113 Å²	113	140.9 Å²	140.9	76%	0.764	82%	0.816	S	S	*	*			trans	-89.1	108.5	164	-74.7	0	0	0	0	108.4	Y7 C11	Y7-C9 PolarHBondContact O-N 3.01Å; C9-C11 PolarHBondContact O-N 3.31Å
10	E	38	Very low	36.2	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	82%	0.815	S	S	*	*			trans	-76.6	107.5	166	-82.9	-173.1	158	0	0	109.1
11	C	39.1	Very low	36.1	Very low	103 Å²	103	139.5 Å²	139.5	70%	0.696	82%	0.817	S	S	*	*			trans	-119.8	100.3	166.8	-80.4	0	0	0	0	108.3	C9	C9-C11 PolarHBondContact O-N 3.31Å
12	L	36.4	Very low	36.7	Very low	152 Å²	152	137.8 Å²	137.8	80%	0.796	80%	0.803	S	S	*	*			trans	-116	110.8	172.3	-110.1	140.6	0	0	0	110.8
13	T	42.6	Very low	37.2	Very low	127 Å²	127	138 Å²	138	78%	0.779	79%	0.793	S	S	*	*	S	Bend	trans	50.4	81.5	145.3	56.2	0	0	0	0	119.2
14	S	34.8	Very low	38	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	78%	0.777	S	S	*	*			trans	-165.6	119.1	140	137.9	0	0	0	0	107.9	N16	S14-N16 PolarHBondContact O-N 3.32Å
15	G	43.7	Very low	38.2	Very low	79 Å²	79	131.1 Å²	131.1	81%	0.814	77%	0.773	S	S	*	*			trans	-68.7	95.7	-165.3	0	0	0	0	0	115.3
16	N	34.6	Very low	37.8	Very low	152 Å²	152	133.1 Å²	133.1	81%	0.813	77%	0.772	S	S	*	*	S	Bend	trans	-149.1	155.1	157.5	-82.9	-36.3	0	0	0	110.7	S14	S14-N16 PolarHBondContact O-N 3.32Å
17	L	35.9	Very low	38.3	Very low	178 Å²	178	134.1 Å²	134.1	93%	0.932	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-52.2	134.5	-174.8	-101.6	82.7	0	0	0	113.6
18	C	36.4	Very low	38.6	Very low	111 Å²	111	132.8 Å²	132.8	75%	0.75	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-73.4	126.1	170.9	-65.9	0	0	0	0	111.6
19	E	36.2	Very low	39.1	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-79.3	152.6	164.7	-93.1	-174.7	149.5	0	0	111.5
20	P	36.8	Very low	39.2	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-77.1	131.4	179.2	30	-31	0	0	0	111.9	K22	P20-K22 PolarHBondContact O-N 3.41Å
21	C	35.5	Very low	39.3	Very low	128 Å²	128	129.9 Å²	129.9	87%	0.865	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-59.9	126.9	178.7	-69.2	0	0	0	0	112.4
22	K	38.8	Very low	39.5	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-82.4	120.9	166.3	-105.2	178.1	175.4	174.9	0	109.4	P20	P20-K22 PolarHBondContact O-N 3.41Å
23	M	38.3	Very low	39.7	Very low	139 Å²	139	127.2 Å²	127.2	69%	0.685	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.9	167.7	-93.7	-167.4	-91.3	0	0	110.6
24	T	48.3	Very low	39.4	Very low	83 Å²	83	126.9 Å²	126.9	51%	0.509	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-92.2	157.2	173.9	63.1	0	0	0	0	110.7	Q26 D27	T24-Q26 PolarHBondContact O-N 2.85Å; T24-D27 PolarHBondContact N-OD2 3.13Å; T24-D27 VanDerWaalsContact N-OD2 3.13Å; T24-D27 WeakPolarHBondContact O-CB 3.48Å; T24-D27 PolarHBondContact O-N 3Å; T24-D27 PolarHBondContact OG1-OD2 3.05Å
25	A	42.6	Very low	39.5	Very low	84 Å²	84	128.4 Å²	128.4	69%	0.694	69%	0.693	S	S	*	*	H	α-helix	trans	-58.5	-22.7	-175.6	0	0	0	0	0	113.8
26	Q	38.4	Very low	39.2	Very low	153 Å²	153	128 Å²	128	72%	0.715	68%	0.678	S	S	*	*	H	α-helix	trans	-75.7	-25.9	178.6	-139.8	170.5	2.6	0	0	112.8	T24 L30	T24-Q26 PolarHBondContact O-N 2.85Å; Q26-L30 PolarHBondContact O-N 3.26Å
27	D	40.4	Very low	39.1	Very low	82 Å²	82	126.5 Å²	126.5	44%	0.439	67%	0.67	S	S	.	*	H	α-helix	trans	-74.8	-29.3	177.1	-58.5	-51.2	0	0	0	111.7	T24 E31	T24-D27 PolarHBondContact N-OD2 3.13Å; T24-D27 VanDerWaalsContact N-OD2 3.13Å; T24-D27 WeakPolarHBondContact O-CB 3.48Å; T24-D27 PolarHBondContact O-N 3Å; T24-D27 PolarHBondContact OG1-OD2 3.05Å; D27-E31 PolarHBondContact O-N 3.26Å
28	R	44.7	Very low	38.9	Very low	175 Å²	175	124.9 Å²	124.9	66%	0.66	66%	0.662	S	S	*	*	H	α-helix	trans	-69.7	-37.3	174.9	-87.4	-175.6	173.8	175.7	-2.7	113.2	L30 E31 E32	R28-L30 VanDerWaalsContact C-N 3.32Å; R28-E31 PolarHBondContact O-N 3.06Å; R28-E32 PolarHBondContact O-N 3.42Å; R28-E32 VanDerWaalsContact O-N 3.15Å
29	E	42	Very low	38.8	Very low	141 Å²	141	126.3 Å²	126.3	66%	0.659	66%	0.661	S	S	*	*	H	α-helix	trans	-70.1	-31.1	177.8	-71.5	-172.8	157.2	0	0	111.9	A33	E29-A33 PolarHBondContact O-N 3.47Å
30	L	39.7	Very low	38.8	Very low	99 Å²	99	124.3 Å²	124.3	52%	0.518	66%	0.656	S	S	.	*	H	α-helix	trans	-70.8	-35.9	175.2	-150.2	91	0	0	0	111.6	Q26 R28 A33 H34	Q26-L30 PolarHBondContact O-N 3.26Å; R28-L30 VanDerWaalsContact C-N 3.32Å; L30-A33 PolarHBondContact O-N 3.38Å; L30-H34 PolarHBondContact O-CD2 3.4Å; L30-H34 VanDerWaalsContact O-CD2 3.26Å; L30-H34 PolarHBondContact O-N 3.15Å
31	E	40.9	Very low	38.3	Very low	127 Å²	127	123 Å²	123	59%	0.593	66%	0.656	S	S	*	*	H	α-helix	trans	-69.6	-37.7	177.6	-155.3	173.5	-166.1	0	0	111.9	D27 R28 H34 L35	D27-E31 PolarHBondContact O-N 3.26Å; R28-E31 PolarHBondContact O-N 3.06Å; E31-H34 PolarHBondContact O-N 3.18Å; E31-L35 PolarHBondContact O-N 3.45Å; E31-L35 VanDerWaalsContact O-N 3.13Å
32	E	42.5	Very low	38	Very low	150 Å²	150	121.2 Å²	121.2	70%	0.701	65%	0.651	S	S	*	*	H	α-helix	trans	-67	-35.2	173.4	-75.4	-176.2	173.8	0	0	112.7	R28 S36	R28-E32 PolarHBondContact O-N 3.42Å; R28-E32 VanDerWaalsContact O-N 3.15Å; E32-S36 PolarHBondContact O-N 3.47Å
33	A	40.2	Very low	37.5	Very low	48 Å²	48	120.1 Å²	120.1	40%	0.397	65%	0.654	S	S	.	*	H	α-helix	trans	-74.6	-29.2	177.2	0	0	0	0	0	113.6	E29 L30 S36 N37	E29-A33 PolarHBondContact O-N 3.47Å; L30-A33 PolarHBondContact O-N 3.38Å; A33-S36 PolarHBondContact O-OG 3.13Å; A33-S36 VanDerWaalsContact O-OG 3.11Å; A33-N37 PolarHBondContact O-ND2 3.11Å
34	H	36.3	Very low	37	Very low	120 Å²	120	118.9 Å²	118.9	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-80.1	-28.4	175.9	-87.1	-75.2	0	0	0	113	L30 E31	L30-H34 PolarHBondContact O-CD2 3.4Å; L30-H34 VanDerWaalsContact O-CD2 3.26Å; L30-H34 PolarHBondContact O-N 3.15Å; E31-H34 PolarHBondContact O-N 3.18Å
35	L	36.7	Very low	36.1	Very low	139 Å²	139	120 Å²	120	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-74.8	-29.5	176.4	-142.9	81.8	0	0	0	112.7	E31	E31-L35 PolarHBondContact O-N 3.45Å; E31-L35 VanDerWaalsContact O-N 3.13Å
36	S	37.6	Very low	35.3	Very low	72 Å²	72	125.6 Å²	125.6	50%	0.503	69%	0.691	S	S	.	*	H	α-helix	trans	-74.9	-25.2	179.9	65.7	0	0	0	0	113.9	E32 A33	E32-S36 PolarHBondContact O-N 3.47Å; A33-S36 PolarHBondContact O-OG 3.13Å; A33-S36 VanDerWaalsContact O-OG 3.11Å
37	N	32.3	Very low	34.7	Very low	120 Å²	120	121.7 Å²	121.7	64%	0.642	69%	0.692	S	S	*	*	H	α-helix	trans	-94.2	-14.2	-171.4	-75.6	-15.6	0	0	0	114.7	A33	A33-N37 PolarHBondContact O-ND2 3.11Å
38	N	31.9	Very low	34.1	Very low	143 Å²	143	124.5 Å²	124.5	77%	0.765	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	7.2	-177.7	-83.4	-16.8	0	0	0	115.2
39	I	35	Very low	33.3	Very low	141 Å²	141	121.1 Å²	121.1	72%	0.723	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-12.7	175.7	-63.6	177	0	0	0	112.1
40	N	35.4	Very low	32.6	Very low	140 Å²	140	123.4 Å²	123.4	75%	0.749	73%	0.726	S	S	*	*	S	Bend	trans	-136	74.8	-173.8	-65.6	-41	0	0	0	113.1
41	A	27.3	Very low	32.3	Very low	96 Å²	96	124.7 Å²	124.7	79%	0.793	74%	0.74	S	S	*	*			trans	-179.9	119.8	146.8	0	0	0	0	0	113.6
42	A	27.9	Very low	31.5	Very low	91 Å²	91	128.1 Å²	128.1	75%	0.752	76%	0.756	S	S	*	*			trans	63	105.3	136.1	0	0	0	0	0	120
43	D	28.2	Very low	31	Very low	179 Å²	179	129.7 Å²	129.7	96%	0.957	77%	0.766	S	S	*	*			trans	-107.7	120.4	138.9	-100.9	-25.3	0	0	0	109
44	S	28.1	Very low	30.4	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	78%	0.783	S	S	*	*			trans	-138.1	108	164.8	45.1	0	0	0	0	109.7
45	A	29.1	Very low	30.2	Very low	106 Å²	106	132.5 Å²	132.5	88%	0.876	79%	0.79	S	S	*	*			trans	-148.9	138.6	159.2	0	0	0	0	0	110.5
46	M	27.1	Very low	29.8	Very low	201 Å²	201	131.1 Å²	131.1	99%	0.99	79%	0.792	S	S	*	*			trans	-66.6	147.6	-158.8	-69.6	160.8	58.7	0	0	117.5
47	G	24.6	Very low	29.5	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	80%	0.795	S	S	*	*			trans	176.5	88.1	159.5	0	0	0	0	0	116.5
48	V	27.6	Very low	29.7	Very low	141 Å²	141	129.9 Å²	129.9	86%	0.855	79%	0.789	S	S	*	*			trans	52.6	101.3	144.2	-169.7	0	0	0	0	120.9
49	S	28.4	Very low	29.8	Very low	104 Å²	104	131 Å²	131	73%	0.727	79%	0.79	S	S	*	*			trans	31.4	113.4	143.7	58.4	0	0	0	0	123.5
50	E	27.3	Very low	29.5	Very low	188 Å²	188	126.8 Å²	126.8	88%	0.879	78%	0.782	S	S	*	*				-178.3	161	118	-100.7	-175.4	162.9	0	0	110.6
51	P	32.9	Very low	29.7	Very low	127 Å²	127	123 Å²	123	83%	0.825	77%	0.77	S	S	*	*			trans	-93.5	119.3	-160	34.5	-29.5	0	0	0	113.4
52	E	25.8	Very low	30.5	Very low	198 Å²	198	128.1 Å²	128.1	93%	0.925	77%	0.768	S	S	*	*			trans	-113.6	135.2	170	-87.5	-172	150.9	0	0	112.8
53	M	30.4	Very low	31.4	Very low	183 Å²	183	127.7 Å²	127.7	90%	0.901	75%	0.753	S	S	*	*			trans	-59.6	146.7	-177.4	-85.1	163.8	49.1	0	0	114.5	A55	M53-A55 PolarHBondContact O-N 3.09Å
54	D	29.1	Very low	32.2	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	74%	0.743	S	S	*	*			trans	-28.1	102.5	170.3	-67.2	-49.5	0	0	0	116.7
55	A	31.8	Very low	33.4	Very low	85 Å²	85	125 Å²	125	70%	0.702	72%	0.724	S	S	*	*			trans	-103.5	0.8	169.3	0	0	0	0	0	114.3	M53	M53-A55 PolarHBondContact O-N 3.09Å
56	S	28	Very low	34.8	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	71%	0.708	S	S	*	*	S	Bend	trans	-89.4	-7.4	-177.3	68.8	0	0	0	0	114.7
57	S	30.2	Very low	36.7	Very low	80 Å²	80	121.6 Å²	121.6	56%	0.559	68%	0.684	S	S	*	*	S	Bend	trans	-87.9	-11.8	-179.8	63.8	0	0	0	0	113.9	A61	S57-A61 WeakPolarHBondContact O-CB 3.32Å
58	T	37.5	Very low	39.2	Very low	85 Å²	85	126.5 Å²	126.5	52%	0.521	68%	0.68	S	S	.	*	H	α-helix	trans	-89.7	-31.5	-168.8	-33.7	0	0	0	0	113.6	R62	T58-R62 VanDerWaalsContact O-CB 3.29Å; T58-R62 WeakPolarHBondContact O-CB 3.39Å; T58-R62 PolarHBondContact O-N 3.19Å; T58-R62 VanDerWaalsContact O-N 3.12Å
59	E	33.8	Very low	41.8	Very low	167 Å²	167	119.8 Å²	119.8	78%	0.78	64%	0.64	S	S	*	*	H	α-helix	trans	-74.2	-43.3	179.3	-81.7	-174.2	142.9	0	0	113	A61 R62 D63	E59-A61 VanDerWaalsContact C-N 3.31Å; E59-A61 PolarHBondContact O-N 2.91Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-D63 PolarHBondContact O-N 2.93Å
60	G	29.7	Very low	44.4	Very low	53 Å²	53	118.7 Å²	118.7	55%	0.546	62%	0.62	S	S	.	*	H	α-helix	trans	-66.1	-30.6	175	0	0	0	0	0	113.7	R64	G60-R64 VanDerWaalsContact O-CB 3.28Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 3.44Å
61	A	38.1	Very low	47.3	Very low	60 Å²	60	115.3 Å²	115.3	50%	0.496	61%	0.605	S	S	.	*	H	α-helix	trans	-75.2	-33.5	175.4	0	0	0	0	0	112.7	S57 E59 R64 G65	S57-A61 WeakPolarHBondContact O-CB 3.32Å; E59-A61 VanDerWaalsContact C-N 3.31Å; E59-A61 PolarHBondContact O-N 2.91Å; A61-R64 PolarHBondContact O-N 3.03Å; A61-G65 PolarHBondContact O-N 2.88Å
62	R	43.8	Very low	50	Low	203 Å²	203	112.8 Å²	112.8	77%	0.766	59%	0.585	S	S	*	*	H	α-helix	trans	-71.1	-37.3	-178.2	-156.3	171.6	-174.1	173.7	0.5	112.2	T58 E59 R66	T58-R62 VanDerWaalsContact O-CB 3.29Å; T58-R62 WeakPolarHBondContact O-CB 3.39Å; T58-R62 PolarHBondContact O-N 3.19Å; T58-R62 VanDerWaalsContact O-N 3.12Å; E59-R62 PolarHBondContact O-N 3.07Å; R62-R66 PolarHBondContact O-N 3.13Å
63	D	46.9	Very low	53.2	Low	82 Å²	82	103.3 Å²	103.3	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-75.9	-35.9	172.3	-97.6	-24.3	0	0	0	113.2	E59 G65 R66 N67	E59-D63 PolarHBondContact O-N 2.93Å; D63-G65 PolarHBondContact O-N 2.72Å; D63-R66 PolarHBondContact O-N 3.02Å; D63-R66 IonicContact OD1-CZ 3.35Å; D63-R66 VanDerWaalsContact OD1-CZ 3.32Å; D63-R66 IonicContact OD1-NE 2.69Å; D63-R66 PolarHBondContact OD1-NE 3.21Å; D63-R66 VanDerWaalsContact OD1-NE 3.14Å; D63-R66 IonicContact OD1-NH2 3.32Å; D63-R66 PolarHBondContact OD1-NH2 2.76Å; D63-N67 PolarHBondContact O-N 2.76Å; D63-N67 VanDerWaalsContact O-N 3.17Å
64	R	44.9	Very low	56.1	Low	199 Å²	199	96.8 Å²	96.8	75%	0.751	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-40.2	174.6	-170.1	174.8	-77.4	-173.5	-3.7	112.1	G60 A61 W68	G60-R64 VanDerWaalsContact O-CB 3.28Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 3.44Å; A61-R64 PolarHBondContact O-N 3.03Å; R64-W68 PolarHBondContact O-N 3.39Å
65	G	55.2	Low	59.1	Low	37 Å²	37	94.4 Å²	94.4	38%	0.381	50%	0.502	S	S	.	.	H	α-helix	trans	-68.9	-33.6	174.8	0	0	0	0	0	114	A61 D63	A61-G65 PolarHBondContact O-N 2.88Å; D63-G65 PolarHBondContact O-N 2.72Å
66	R	56.8	Low	62	Low	145 Å²	145	93 Å²	93	55%	0.547	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-41.1	176.8	-177.1	164.4	67.4	145.9	-2.1	112.1	R62 D63 R214	R62-R66 PolarHBondContact O-N 3.13Å; D63-R66 PolarHBondContact O-N 3.02Å; D63-R66 IonicContact OD1-CZ 3.35Å; D63-R66 VanDerWaalsContact OD1-CZ 3.32Å; D63-R66 IonicContact OD1-NE 2.69Å; D63-R66 PolarHBondContact OD1-NE 3.21Å; D63-R66 VanDerWaalsContact OD1-NE 3.14Å; D63-R66 IonicContact OD1-NH2 3.32Å; D63-R66 PolarHBondContact OD1-NH2 2.76Å; R66-R214 PolarHBondContact O-NH1 2.83Å
67	N	66.9	Low	65.2	Low	92 Å²	92	88.4 Å²	88.4	49%	0.492	45%	0.45	S	S	.	.	H	α-helix	trans	-74.2	-33.5	-179.8	-68.1	-7.7	0	0	0	112.4	D63 G69 W70 M71	D63-N67 PolarHBondContact O-N 2.76Å; D63-N67 VanDerWaalsContact O-N 3.17Å; N67-G69 PolarHBondContact O-N 3.31Å; N67-W70 PolarHBondContact O-N 3.28Å; N67-M71 WeakPolarHBondContact O-CG 3.34Å; N67-M71 PolarHBondContact O-N 2.96Å
68	W	78.7	Confident	68.3	Low	174 Å²	174	89.3 Å²	89.3	66%	0.659	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-43.3	179.6	-164.2	-93.5	0	0	0	113.1	R64 W70 M71 L72	R64-W68 PolarHBondContact O-N 3.39Å; W68-W70 VanDerWaalsContact C-N 3.33Å; W68-W70 PolarHBondContact O-N 3.41Å; W68-M71 PolarHBondContact O-N 3.05Å; W68-L72 VanDerWaalsContact O-CB 3.29Å; W68-L72 WeakPolarHBondContact O-CB 3.37Å; W68-L72 PolarHBondContact O-N 3.02Å
69	G	80.5	Confident	71	Confident	1 Å²	1	89.9 Å²	89.9	1%	0.01	45%	0.448	C	S	.	.	H	α-helix	trans	-64.5	-35.6	178.1	0	0	0	0	0	113.5	N67 S73 N211	N67-G69 PolarHBondContact O-N 3.31Å; G69-S73 WeakPolarHBondContact O-CB 3.42Å; G69-S73 PolarHBondContact O-N 3.42Å; G69-S73 PolarHBondContact O-OG 2.98Å; G69-N211 WeakPolarHBondContact CA-OD1 3.42Å
70	W	84.5	Confident	74	Confident	81 Å²	81	83.1 Å²	83.1	31%	0.307	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-51.9	173.9	-87.9	71.4	0	0	0	111.1	N67 W68 L72 S73 A74 W305 K306	N67-W70 PolarHBondContact O-N 3.28Å; W68-W70 VanDerWaalsContact C-N 3.33Å; W68-W70 PolarHBondContact O-N 3.41Å; W70-L72 PolarHBondContact O-N 3.46Å; W70-S73 PolarHBondContact O-N 3.03Å; W70-S73 PolarHBondContact O-OG 3.05Å; W70-A74 WeakPolarHBondContact O-CB 3.24Å; W70-A74 PolarHBondContact O-N 2.9Å; W70-W305 AromaticContact CD2-CH2 3.89Å; W70-W305 HydrophobicContact CD2-CH2 3.89Å; W70-W305 AromaticContact CD2-CZ2 3.75Å; W70-W305 HydrophobicContact CD2-CZ2 3.75Å; W70-W305 AromaticContact CE3-CH2 3.12Å; W70-W305 HydrophobicContact CE3-CH2 3.12Å; W70-W305 AromaticContact CE3-CZ2 3.46Å; W70-W305 HydrophobicContact CE3-CZ2 3.46Å; W70-W305 VanDerWaalsContact CE3-CZ2 3.46Å; W70-W305 AromaticContact CE3-CZ3 3.94Å; W70-W305 HydrophobicContact CE3-CZ3 3.94Å; W70-W305 HydrophobicContact CG-CZ2 4.33Å; W70-W305 HydrophobicContact CH2-CE3 4.44Å; W70-W305 AromaticContact CH2-CH2 3.9Å; W70-W305 HydrophobicContact CH2-CH2 3.9Å; W70-W305 HydrophobicContact CH2-CZ2 4.49Å; W70-W305 AromaticContact CH2-CZ3 3.86Å; W70-W305 HydrophobicContact CH2-CZ3 3.86Å; W70-W305 HydrophobicContact CZ3-CE3 4.41Å; W70-W305 AromaticContact CZ3-CH2 3.13Å; W70-W305 HydrophobicContact CZ3-CH2 3.13Å; W70-W305 AromaticContact CZ3-CZ2 3.88Å; W70-W305 HydrophobicContact CZ3-CZ2 3.88Å; W70-W305 AromaticContact CZ3-CZ3 3.46Å; W70-W305 HydrophobicContact CZ3-CZ3 3.46Å; W70-W305 VanDerWaalsContact CZ3-CZ3 3.46Å; W70-K306 HydrophobicContact CH2-CD 3.76Å; W70-K306 HydrophobicContact CZ3-CD 4.37Å
71	M	88.2	Confident	77.1	Confident	116 Å²	116	82.3 Å²	82.3	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-60	-46.8	-179.3	-69.8	179.9	71.4	0	0	111.7	N67 W68 S73 A74 I75	N67-M71 WeakPolarHBondContact O-CG 3.34Å; N67-M71 PolarHBondContact O-N 2.96Å; W68-M71 PolarHBondContact O-N 3.05Å; M71-S73 PolarHBondContact O-N 3.09Å; M71-A74 PolarHBondContact O-N 3.22Å; M71-I75 VanDerWaalsContact O-CG1 3.26Å; M71-I75 WeakPolarHBondContact O-CG1 3.45Å; M71-I75 PolarHBondContact O-N 3.1Å
72	L	90	Very high	79.8	Confident	74 Å²	74	84.3 Å²	84.3	39%	0.387	40%	0.401	S	S	.	.	H	α-helix	trans	-60.3	-46.2	178.8	-177.5	65.9	0	0	0	111.6	W68 W70 A74 I75 I76	W68-L72 VanDerWaalsContact O-CB 3.29Å; W68-L72 WeakPolarHBondContact O-CB 3.37Å; W68-L72 PolarHBondContact O-N 3.02Å; W70-L72 PolarHBondContact O-N 3.46Å; L72-A74 VanDerWaalsContact C-N 3.3Å; L72-A74 PolarHBondContact O-N 3.1Å; L72-I75 PolarHBondContact O-N 2.8Å; L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.1Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.43Å
73	S	92.1	Very high	82.2	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63	-37.4	178.7	69.8	0	0	0	0	112.5	G69 W70 M71 C77 M218 W305	G69-S73 WeakPolarHBondContact O-CB 3.42Å; G69-S73 PolarHBondContact O-N 3.42Å; G69-S73 PolarHBondContact O-OG 2.98Å; W70-S73 PolarHBondContact O-N 3.03Å; W70-S73 PolarHBondContact O-OG 3.05Å; M71-S73 PolarHBondContact O-N 3.09Å; S73-C77 WeakPolarHBondContact O-CB 3.49Å; S73-C77 PolarHBondContact O-N 2.98Å; S73-M218 WeakPolarHBondContact O-CB 3.38Å; S73-W305 PolarHBondContact OG-NE1 3.36Å
74	A	90.9	Very high	84.4	Confident	46 Å²	46	74.8 Å²	74.8	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-69.3	-39.8	176.4	0	0	0	0	0	112.2	W70 M71 L72 C77 L78	W70-A74 WeakPolarHBondContact O-CB 3.24Å; W70-A74 PolarHBondContact O-N 2.9Å; M71-A74 PolarHBondContact O-N 3.22Å; L72-A74 VanDerWaalsContact C-N 3.3Å; L72-A74 PolarHBondContact O-N 3.1Å; A74-C77 WeakPolarHBondContact O-CB 3.5Å; A74-C77 PolarHBondContact O-N 3.25Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 3.01Å
75	I	93.4	Very high	86.6	Confident	92 Å²	92	67.8 Å²	67.8	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-43.9	176	-68.8	164.3	0	0	0	110.5	M71 L72 C77 L78 N79	M71-I75 VanDerWaalsContact O-CG1 3.26Å; M71-I75 WeakPolarHBondContact O-CG1 3.45Å; M71-I75 PolarHBondContact O-N 3.1Å; L72-I75 PolarHBondContact O-N 2.8Å; I75-C77 VanDerWaalsContact C-N 3.35Å; I75-L78 PolarHBondContact O-N 3.42Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.28Å; I75-N79 PolarHBondContact O-N 3.14Å; I75-N79 PolarHBondContact O-ND2 3.47Å
76	I	92.2	Very high	88.3	Confident	56 Å²	56	68.8 Å²	68.8	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-49	175.6	-69.9	167.2	0	0	0	110	L72 L78 N79 I80 C215	L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.1Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.43Å; I76-L78 PolarHBondContact O-N 3.44Å; I76-N79 PolarHBondContact O-N 3.27Å; I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 WeakPolarHBondContact O-CG1 3.29Å; I76-I80 PolarHBondContact O-N 3.06Å; I76-C215 HydrophobicContact CD1-CB 4.13Å
77	C	94.6	Very high	89.9	Confident	13 Å²	13	64.4 Å²	64.4	9%	0.088	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-53.8	177.6	178.3	0	0	0	0	111.6	S73 A74 I75 N79 I80 L81 M218 S222	S73-C77 WeakPolarHBondContact O-CB 3.49Å; S73-C77 PolarHBondContact O-N 2.98Å; A74-C77 WeakPolarHBondContact O-CB 3.5Å; A74-C77 PolarHBondContact O-N 3.25Å; I75-C77 VanDerWaalsContact C-N 3.35Å; C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.44Å; C77-I80 PolarHBondContact O-N 3.35Å; C77-L81 WeakPolarHBondContact O-CG 3.36Å; C77-L81 PolarHBondContact O-N 2.87Å; C77-M218 HydrophobicContact CB-CB 4.1Å; C77-M218 HydrophobicContact CB-CG 4.31Å; C77-M218 HydrophobicContact CB-SD 3.78Å; C77-S222 VanDerWaalsContact CA-OG 3.23Å; C77-S222 WeakPolarHBondContact CA-OG 3.43Å; C77-S222 PolarHBondContact SG-OG 3.35Å
78	L	94.6	Very high	90.9	Very high	100 Å²	100	60.4 Å²	60.4	52%	0.524	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-42.8	-177.9	-175.6	64.6	0	0	0	112.4	A74 I75 I76 L81 I82	A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 3.01Å; I75-L78 PolarHBondContact O-N 3.42Å; I76-L78 PolarHBondContact O-N 3.44Å; L78-L81 PolarHBondContact O-N 2.84Å; L78-I82 HydrophobicContact CD1-CD1 4.06Å; L78-I82 HydrophobicContact CD1-CG1 4.33Å; L78-I82 HydrophobicContact CD2-CD1 4.44Å; L78-I82 HydrophobicContact CG-CD1 3.79Å; L78-I82 HydrophobicContact CG-CG1 4.44Å; L78-I82 WeakPolarHBondContact O-CB 3.45Å; L78-I82 VanDerWaalsContact O-CG1 3.22Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 2.72Å
79	N	95.5	Very high	91.2	Very high	96 Å²	96	55.7 Å²	55.7	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-40.9	179.2	-82	-86.9	0	0	0	112.3	I75 I76 C77 L81 I82 L83	I75-N79 WeakPolarHBondContact CG2-ND2 3.28Å; I75-N79 PolarHBondContact O-N 3.14Å; I75-N79 PolarHBondContact O-ND2 3.47Å; I76-N79 PolarHBondContact O-N 3.27Å; C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.44Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-I82 PolarHBondContact O-N 3.34Å; N79-L83 VanDerWaalsContact O-CB 3.3Å; N79-L83 WeakPolarHBondContact O-CB 3.44Å; N79-L83 PolarHBondContact O-N 3.49Å
80	I	95.8	Very high	91.3	Very high	25 Å²	25	56 Å²	56	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-43	176.4	-66.4	170.5	0	0	0	110.3	I76 C77 L83 G84 L110 L219 V226	I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 WeakPolarHBondContact O-CG1 3.29Å; I76-I80 PolarHBondContact O-N 3.06Å; C77-I80 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.12Å; I80-G84 PolarHBondContact O-N 2.94Å; I80-L110 HydrophobicContact CG2-CD1 4.19Å; I80-L110 HydrophobicContact CG2-CD2 4.15Å; I80-L219 HydrophobicContact CD1-CD1 3.52Å; I80-V226 HydrophobicContact CG2-CG2 4.29Å
81	L	95.5	Very high	91	Very high	36 Å²	36	53.3 Å²	53.3	19%	0.188	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-46.2	177.4	-67.9	179.1	0	0	0	112	C77 L78 N79 L83 G84 C85 L225 V226 M229	C77-L81 WeakPolarHBondContact O-CG 3.36Å; C77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 2.84Å; N79-L81 VanDerWaalsContact C-N 3.34Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.09Å; L81-G84 PolarHBondContact O-N 3.41Å; L81-C85 WeakPolarHBondContact O-CB 3.39Å; L81-C85 PolarHBondContact O-N 3.49Å; L81-C85 PolarHBondContact O-SG 3.26Å; L81-L225 HydrophobicContact CD1-CD1 4.24Å; L81-L225 HydrophobicContact CD2-CB 3.64Å; L81-L225 HydrophobicContact CD2-CD1 4.06Å; L81-V226 HydrophobicContact CD2-CG2 4.19Å; L81-M229 HydrophobicContact CD2-CE 4.19Å
82	I	94.8	Very high	90.3	Very high	102 Å²	102	51 Å²	51	52%	0.523	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-46.1	177.4	-70.3	167.5	0	0	0	110.6	L78 N79 C85 A86	L78-I82 HydrophobicContact CD1-CD1 4.06Å; L78-I82 HydrophobicContact CD1-CG1 4.33Å; L78-I82 HydrophobicContact CD2-CD1 4.44Å; L78-I82 HydrophobicContact CG-CD1 3.79Å; L78-I82 HydrophobicContact CG-CG1 4.44Å; L78-I82 WeakPolarHBondContact O-CB 3.45Å; L78-I82 VanDerWaalsContact O-CG1 3.22Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 2.72Å; N79-I82 PolarHBondContact O-N 3.34Å; I82-C85 PolarHBondContact O-N 3.05Å; I82-A86 PolarHBondContact O-N 3.23Å
83	L	94.2	Very high	89.5	Confident	85 Å²	85	49.6 Å²	49.6	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-42.9	178.3	-174.6	60.1	0	0	0	111.3	N79 I80 L81 A86 F87 F106	N79-L83 VanDerWaalsContact O-CB 3.3Å; N79-L83 WeakPolarHBondContact O-CB 3.44Å; N79-L83 PolarHBondContact O-N 3.49Å; I80-L83 PolarHBondContact O-N 3.12Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.09Å; L83-A86 WeakPolarHBondContact O-CB 3.45Å; L83-A86 PolarHBondContact O-N 2.81Å; L83-F87 HydrophobicContact CD1-CD2 3.99Å; L83-F87 HydrophobicContact CD1-CE2 3.69Å; L83-F87 HydrophobicContact CD2-CE2 4.44Å; L83-F87 HydrophobicContact CG-CD2 3.99Å; L83-F87 HydrophobicContact CG-CE2 3.89Å; L83-F87 WeakPolarHBondContact O-CD2 3.32Å; L83-F87 PolarHBondContact O-N 3.31Å; L83-F106 HydrophobicContact CB-CZ 4.43Å; L83-F106 HydrophobicContact CD2-CD2 4.5Å; L83-F106 HydrophobicContact CD2-CE2 3.66Å; L83-F106 HydrophobicContact CD2-CZ 4.02Å; L83-F106 HydrophobicContact CG-CE2 4.1Å; L83-F106 HydrophobicContact CG-CZ 4.05Å
84	G	93.1	Very high	88.3	Confident	0 Å²	0	56 Å²	56	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-47.4	174.5	0	0	0	0	0	112.6	I80 L81 A86 F87 V88	I80-G84 PolarHBondContact O-N 2.94Å; L81-G84 PolarHBondContact O-N 3.41Å; G84-A86 VanDerWaalsContact C-N 3.27Å; G84-A86 PolarHBondContact O-N 3.41Å; G84-F87 PolarHBondContact O-N 2.94Å; G84-V88 WeakPolarHBondContact O-CB 3.5Å; G84-V88 VanDerWaalsContact O-CG2 3.29Å; G84-V88 WeakPolarHBondContact O-CG2 3.33Å; G84-V88 PolarHBondContact O-N 3.45Å
85	C	91.1	Very high	87.2	Confident	53 Å²	53	58.7 Å²	58.7	36%	0.358	35%	0.354	S	S	.	.	H	α-helix	trans	-57.5	-40.3	175.2	-69.3	0	0	0	0	112.2	L81 I82 S89 M229	L81-C85 WeakPolarHBondContact O-CB 3.39Å; L81-C85 PolarHBondContact O-N 3.49Å; L81-C85 PolarHBondContact O-SG 3.26Å; I82-C85 PolarHBondContact O-N 3.05Å; C85-S89 VanDerWaalsContact O-CB 3.25Å; C85-S89 WeakPolarHBondContact O-CB 3.33Å; C85-S89 PolarHBondContact O-N 3.24Å; C85-S89 PolarHBondContact O-OG 2.73Å; C85-M229 PolarHBondContact SG-SD 3.48Å
86	A	91.3	Very high	86.3	Confident	57 Å²	57	57.4 Å²	57.4	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-44.6	178.3	0	0	0	0	0	112	I82 L83 G84 G90	I82-A86 PolarHBondContact O-N 3.23Å; L83-A86 WeakPolarHBondContact O-CB 3.45Å; L83-A86 PolarHBondContact O-N 2.81Å; G84-A86 VanDerWaalsContact C-N 3.27Å; G84-A86 PolarHBondContact O-N 3.41Å; A86-G90 PolarHBondContact O-N 3.13Å
87	F	90.2	Very high	85.5	Confident	54 Å²	54	63 Å²	63	24%	0.237	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-46.1	176	-86.4	-74.3	0	0	0	112.5	L83 G84 G90 S91 I98 L103 F106	L83-F87 HydrophobicContact CD1-CD2 3.99Å; L83-F87 HydrophobicContact CD1-CE2 3.69Å; L83-F87 HydrophobicContact CD2-CE2 4.44Å; L83-F87 HydrophobicContact CG-CD2 3.99Å; L83-F87 HydrophobicContact CG-CE2 3.89Å; L83-F87 WeakPolarHBondContact O-CD2 3.32Å; L83-F87 PolarHBondContact O-N 3.31Å; G84-F87 PolarHBondContact O-N 2.94Å; F87-G90 PolarHBondContact O-N 3.36Å; F87-S91 WeakPolarHBondContact O-CB 3.5Å; F87-S91 PolarHBondContact O-N 2.95Å; F87-S91 PolarHBondContact O-OG 3.47Å; F87-I98 HydrophobicContact CD1-CG2 4.21Å; F87-L103 HydrophobicContact CB-CD1 3.69Å; F87-F106 HydrophobicContact CD2-CD1 4.04Å; F87-F106 HydrophobicContact CD2-CD2 4.44Å; F87-F106 HydrophobicContact CD2-CE1 4.35Å; F87-F106 HydrophobicContact CD2-CG 4.07Å; F87-F106 HydrophobicContact CE2-CB 4.46Å; F87-F106 HydrophobicContact CE2-CD2 4.2Å; F87-F106 HydrophobicContact CE2-CG 4.15Å; F87-F106 HydrophobicContact CG-CD1 4.5Å
88	V	87.6	Confident	84.7	Confident	8 Å²	8	65 Å²	65	5%	0.048	39%	0.39	C	S	.	.	H	α-helix	trans	-60.2	-52.7	178.8	172.8	0	0	0	0	110	G84 G90 S91 T92 L103 T230 T233	G84-V88 WeakPolarHBondContact O-CB 3.5Å; G84-V88 VanDerWaalsContact O-CG2 3.29Å; G84-V88 WeakPolarHBondContact O-CG2 3.33Å; G84-V88 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact C-N 3.31Å; V88-G90 PolarHBondContact O-N 2.95Å; V88-S91 PolarHBondContact O-N 2.99Å; V88-S91 PolarHBondContact O-OG 3.47Å; V88-T92 PolarHBondContact O-N 3.48Å; V88-L103 HydrophobicContact CG2-CD1 3.9Å; V88-L103 HydrophobicContact CG2-CD2 4.16Å; V88-T230 WeakPolarHBondContact CG2-OG1 3.23Å; V88-T233 HydrophobicContact CG1-CG2 3.81Å; V88-T233 VanDerWaalsContact CG1-OG1 3.24Å; V88-T233 WeakPolarHBondContact CG1-OG1 2.95Å
89	S	84.7	Confident	83.8	Confident	74 Å²	74	64.1 Å²	64.1	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-42.3	178.5	-53.6	0	0	0	0	111.8	C85 S91 T92	C85-S89 VanDerWaalsContact O-CB 3.25Å; C85-S89 WeakPolarHBondContact O-CB 3.33Å; C85-S89 PolarHBondContact O-N 3.24Å; C85-S89 PolarHBondContact O-OG 2.73Å; S89-S91 PolarHBondContact O-N 3.13Å; S89-T92 PolarHBondContact O-N 3Å; S89-T92 PolarHBondContact O-OG1 3.49Å
90	G	83.3	Confident	82.9	Confident	9 Å²	9	62.3 Å²	62.3	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-59	-43.4	177	0	0	0	0	0	113.3	A86 F87 V88 T92 S93	A86-G90 PolarHBondContact O-N 3.13Å; F87-G90 PolarHBondContact O-N 3.36Å; V88-G90 VanDerWaalsContact C-N 3.31Å; V88-G90 PolarHBondContact O-N 2.95Å; G90-T92 VanDerWaalsContact C-N 3.25Å; G90-T92 PolarHBondContact O-N 3.2Å; G90-S93 PolarHBondContact O-N 3.42Å
91	S	78.4	Confident	82.1	Confident	24 Å²	24	61.7 Å²	61.7	17%	0.168	37%	0.374	C	S	.	.	H	α-helix	trans	-66.7	-22.5	-179.2	71	0	0	0	0	114.4	F87 V88 S89	F87-S91 WeakPolarHBondContact O-CB 3.5Å; F87-S91 PolarHBondContact O-N 2.95Å; F87-S91 PolarHBondContact O-OG 3.47Å; V88-S91 PolarHBondContact O-N 2.99Å; V88-S91 PolarHBondContact O-OG 3.47Å; S89-S91 PolarHBondContact O-N 3.13Å
92	T	73.4	Confident	81.7	Confident	66 Å²	66	63.3 Å²	63.3	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-85.1	-20.7	177.9	63.1	0	0	0	0	114.1	V88 S89 G90 T233	V88-T92 PolarHBondContact O-N 3.48Å; S89-T92 PolarHBondContact O-N 3Å; S89-T92 PolarHBondContact O-OG1 3.49Å; G90-T92 VanDerWaalsContact C-N 3.25Å; G90-T92 PolarHBondContact O-N 3.2Å; T92-T233 HydrophobicContact CG2-CG2 3.14Å
93	S	72.4	Confident	81.3	Confident	46 Å²	46	58.8 Å²	58.8	32%	0.322	36%	0.359	S	S	.	.			trans	-91.8	112.7	-174.4	-169.6	0	0	0	0	110.5	G90 S95 V96	G90-S93 PolarHBondContact O-N 3.42Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 PolarHBondContact OG-OG 3.38Å; S93-V96 PolarHBondContact O-N 3.1Å; S93-V96 VanDerWaalsContact O-N 3.12Å
94	S	66.9	Low	81	Confident	135 Å²	135	55.3 Å²	55.3	94%	0.944	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.7	177.8	61.7	0	0	0	0	114.4
95	S	67.8	Low	80.8	Confident	101 Å²	101	59.4 Å²	59.4	71%	0.706	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-4.1	178.1	60.3	0	0	0	0	114.3	S93	S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 PolarHBondContact OG-OG 3.38Å
96	V	75.9	Confident	80.9	Confident	66 Å²	66	58.1 Å²	58.1	40%	0.4	35%	0.35	S	S	.	.	S	Bend	trans	-114.7	138.1	-174.2	-177.6	0	0	0	0	110.4	S93 I98	S93-V96 PolarHBondContact O-N 3.1Å; S93-V96 VanDerWaalsContact O-N 3.12Å; V96-I98 HydrophobicContact CG1-CB 4.32Å; V96-I98 HydrophobicContact CG1-CD1 3.92Å; V96-I98 HydrophobicContact CG1-CG1 3.92Å; V96-I98 PolarHBondContact O-N 3.16Å
97	N	75.4	Confident	81	Confident	172 Å²	172	55.5 Å²	55.5	92%	0.92	33%	0.328	S	S	*	.	S	Bend	trans	-77.3	44	179.6	-73.4	-23.6	0	0	0	113.4
98	I	77.7	Confident	81.1	Confident	55 Å²	55	54.1 Å²	54.1	28%	0.282	32%	0.323	S	S	.	.			trans	-118.1	116	175.2	-64.8	171.6	0	0	0	107.4	F87 V96 D102	F87-I98 HydrophobicContact CD1-CG2 4.21Å; V96-I98 HydrophobicContact CG1-CB 4.32Å; V96-I98 HydrophobicContact CG1-CD1 3.92Å; V96-I98 HydrophobicContact CG1-CG1 3.92Å; V96-I98 PolarHBondContact O-N 3.16Å; I98-D102 HydrophobicContact CG2-CB 4.31Å
99	D	74.6	Confident	81.5	Confident	83 Å²	83	59.7 Å²	59.7	44%	0.444	35%	0.347	S	S	.	.			trans	-86.6	157.3	178.8	-173.2	28.4	0	0	0	110.9	T101 D102	D99-T101 PolarHBondContact O-N 3.23Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 VanDerWaalsContact OD2-CB 3.26Å; D99-T101 WeakPolarHBondContact OD2-CB 3.42Å; D99-T101 PolarHBondContact OD2-OG1 2.73Å; D99-D102 PolarHBondContact N-OD2 2.96Å; D99-D102 WeakPolarHBondContact O-CB 3.27Å; D99-D102 PolarHBondContact O-N 2.56Å
100	I	76.5	Confident	82	Confident	57 Å²	57	56.4 Å²	56.4	29%	0.292	32%	0.323	S	S	.	.	H	α-helix	trans	-56.6	-31.3	172.8	-64.3	170.4	0	0	0	110.3	D102 L103 Q104	I100-D102 VanDerWaalsContact C-N 3.3Å; I100-D102 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 3.17Å; I100-Q104 HydrophobicContact CG2-CG 4.45Å; I100-Q104 WeakPolarHBondContact O-CG 3.36Å; I100-Q104 PolarHBondContact O-N 3.24Å
101	T	79.9	Confident	82.6	Confident	13 Å²	13	56 Å²	56	8%	0.08	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-37.8	174.5	-49	0	0	0	0	112.2	D99 Q104 I105 S176 V179	D99-T101 PolarHBondContact O-N 3.23Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 VanDerWaalsContact OD2-CB 3.26Å; D99-T101 WeakPolarHBondContact OD2-CB 3.42Å; D99-T101 PolarHBondContact OD2-OG1 2.73Å; T101-Q104 PolarHBondContact O-N 3.48Å; T101-I105 HydrophobicContact CG2-CD1 4.27Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.2Å; T101-I105 PolarHBondContact O-N 2.95Å; T101-S176 PolarHBondContact OG1-OG 3.08Å; T101-S176 VanDerWaalsContact OG1-OG 3.13Å; T101-V179 HydrophobicContact CG2-CB 4.01Å; T101-V179 HydrophobicContact CG2-CG1 4.02Å; T101-V179 HydrophobicContact CG2-CG2 4.03Å
102	D	86.3	Confident	83.4	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-69.4	-42.1	-179.9	-61.2	-45.5	0	0	0	111.4	I98 D99 I100 Q104 I105 F106	I98-D102 HydrophobicContact CG2-CB 4.31Å; D99-D102 PolarHBondContact N-OD2 2.96Å; D99-D102 WeakPolarHBondContact O-CB 3.27Å; D99-D102 PolarHBondContact O-N 2.56Å; I100-D102 VanDerWaalsContact C-N 3.3Å; I100-D102 PolarHBondContact O-N 3.21Å; D102-Q104 VanDerWaalsContact C-N 3.34Å; D102-Q104 PolarHBondContact O-N 3.23Å; D102-I105 PolarHBondContact O-N 3.36Å; D102-F106 PolarHBondContact O-N 3.19Å
103	L	86.6	Confident	84.5	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-43.2	173.4	173.4	63.5	0	0	0	111.2	F87 V88 I100 I105 F106 I107 T230	F87-L103 HydrophobicContact CB-CD1 3.69Å; V88-L103 HydrophobicContact CG2-CD1 3.9Å; V88-L103 HydrophobicContact CG2-CD2 4.16Å; I100-L103 PolarHBondContact O-N 3.17Å; L103-I105 PolarHBondContact O-N 3.17Å; L103-F106 WeakPolarHBondContact O-CB 3.43Å; L103-F106 PolarHBondContact O-N 3.24Å; L103-I107 HydrophobicContact CD1-CD1 3.98Å; L103-I107 HydrophobicContact CD1-CG1 4.3Å; L103-I107 HydrophobicContact CG-CD1 4.02Å; L103-I107 WeakPolarHBondContact O-CG1 3.06Å; L103-I107 PolarHBondContact O-N 3.29Å; L103-T230 HydrophobicContact CD2-CG2 3.74Å; L103-T230 HydrophobicContact CG-CG2 4.38Å
104	Q	87.3	Confident	85.6	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-41.1	176.6	-74.7	-179.7	-16.4	0	0	112.2	I100 T101 D102 I107 L108 V179 F183	I100-Q104 HydrophobicContact CG2-CG 4.45Å; I100-Q104 WeakPolarHBondContact O-CG 3.36Å; I100-Q104 PolarHBondContact O-N 3.24Å; T101-Q104 PolarHBondContact O-N 3.48Å; D102-Q104 VanDerWaalsContact C-N 3.34Å; D102-Q104 PolarHBondContact O-N 3.23Å; Q104-I107 PolarHBondContact O-N 2.99Å; Q104-L108 WeakPolarHBondContact O-CB 3.49Å; Q104-L108 VanDerWaalsContact O-CG 3.24Å; Q104-L108 WeakPolarHBondContact O-CG 3.4Å; Q104-L108 PolarHBondContact O-N 3.01Å; Q104-V179 HydrophobicContact CB-CG1 4.01Å; Q104-F183 HydrophobicContact CB-CD2 3.79Å; Q104-F183 HydrophobicContact CB-CE2 4.15Å; Q104-F183 HydrophobicContact CG-CD2 3.87Å; Q104-F183 HydrophobicContact CG-CE2 4.06Å; Q104-F183 HydrophobicContact CG-CG 4.37Å
105	I	89.6	Confident	87	Confident	87 Å²	87	52.7 Å²	52.7	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-43.5	175.7	-69.3	165.2	0	0	0	110.9	T101 D102 L103 L108 F109 V179	T101-I105 HydrophobicContact CG2-CD1 4.27Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.2Å; T101-I105 PolarHBondContact O-N 2.95Å; D102-I105 PolarHBondContact O-N 3.36Å; L103-I105 PolarHBondContact O-N 3.17Å; I105-L108 PolarHBondContact O-N 3.32Å; I105-F109 PolarHBondContact O-N 2.86Å; I105-V179 HydrophobicContact CG1-CG1 4.16Å; I105-V179 HydrophobicContact CG1-CG2 4.46Å
106	F	93.3	Very high	88.4	Confident	26 Å²	26	52.9 Å²	52.9	11%	0.114	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-46.1	176.5	171.1	-112.5	0	0	0	112.1	L83 F87 D102 L103 F109 L110 V226	L83-F106 HydrophobicContact CB-CZ 4.43Å; L83-F106 HydrophobicContact CD2-CD2 4.5Å; L83-F106 HydrophobicContact CD2-CE2 3.66Å; L83-F106 HydrophobicContact CD2-CZ 4.02Å; L83-F106 HydrophobicContact CG-CE2 4.1Å; L83-F106 HydrophobicContact CG-CZ 4.05Å; F87-F106 HydrophobicContact CD2-CD1 4.04Å; F87-F106 HydrophobicContact CD2-CD2 4.44Å; F87-F106 HydrophobicContact CD2-CE1 4.35Å; F87-F106 HydrophobicContact CD2-CG 4.07Å; F87-F106 HydrophobicContact CE2-CB 4.46Å; F87-F106 HydrophobicContact CE2-CD2 4.2Å; F87-F106 HydrophobicContact CE2-CG 4.15Å; F87-F106 HydrophobicContact CG-CD1 4.5Å; D102-F106 PolarHBondContact O-N 3.19Å; L103-F106 WeakPolarHBondContact O-CB 3.43Å; L103-F106 PolarHBondContact O-N 3.24Å; F106-F109 WeakPolarHBondContact O-CB 3.31Å; F106-F109 PolarHBondContact O-N 3.34Å; F106-L110 HydrophobicContact CD1-CD1 4.35Å; F106-L110 HydrophobicContact CE1-CD1 3.74Å; F106-L110 HydrophobicContact CE2-CD1 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.44Å; F106-L110 HydrophobicContact CE2-CG 4.3Å; F106-L110 HydrophobicContact CZ-CD1 3.71Å; F106-L110 HydrophobicContact CZ-CD2 4.45Å; F106-L110 HydrophobicContact CZ-CG 4.21Å; F106-L110 PolarHBondContact O-N 3.42Å; F106-L110 VanDerWaalsContact O-N 3.11Å; F106-V226 HydrophobicContact CE1-CG1 4.01Å
107	I	92.5	Very high	89.3	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-40.1	177.5	-66.5	168.3	0	0	0	111.2	L103 Q104 F109 L110 F111 F183 V226 L227 T230	L103-I107 HydrophobicContact CD1-CD1 3.98Å; L103-I107 HydrophobicContact CD1-CG1 4.3Å; L103-I107 HydrophobicContact CG-CD1 4.02Å; L103-I107 WeakPolarHBondContact O-CG1 3.06Å; L103-I107 PolarHBondContact O-N 3.29Å; Q104-I107 PolarHBondContact O-N 2.99Å; I107-F109 VanDerWaalsContact C-N 3.29Å; I107-F109 PolarHBondContact O-N 2.9Å; I107-L110 WeakPolarHBondContact O-CA 3.45Å; I107-L110 WeakPolarHBondContact O-CB 3.33Å; I107-L110 PolarHBondContact O-N 3.46Å; I107-L110 VanDerWaalsContact O-N 3.07Å; I107-F111 HydrophobicContact CG2-CD1 4.3Å; I107-F111 HydrophobicContact CG2-CD2 4.15Å; I107-F111 HydrophobicContact CG2-CE1 3.81Å; I107-F111 HydrophobicContact CG2-CE2 3.65Å; I107-F111 HydrophobicContact CG2-CG 4.46Å; I107-F111 HydrophobicContact CG2-CZ 3.46Å; I107-F111 VanDerWaalsContact CG2-CZ 3.46Å; I107-F111 WeakPolarHBondContact O-CG 3.27Å; I107-F111 PolarHBondContact O-N 3.48Å; I107-F183 HydrophobicContact CB-CE2 3.94Å; I107-F183 HydrophobicContact CD1-CE2 4.47Å; I107-F183 HydrophobicContact CG2-CE2 3.72Å; I107-F183 HydrophobicContact CG2-CZ 3.94Å; I107-V226 HydrophobicContact CG1-CG1 4.31Å; I107-L227 HydrophobicContact CG2-CD1 4.46Å; I107-T230 HydrophobicContact CD1-CG2 3.85Å; I107-T230 WeakPolarHBondContact CD1-OG1 3.24Å
108	L	93.6	Very high	90.3	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-41.3	175.5	-75.6	167.4	0	0	0	112	Q104 I105 L110 F111 L112 V179 F183 V186	Q104-L108 WeakPolarHBondContact O-CB 3.49Å; Q104-L108 VanDerWaalsContact O-CG 3.24Å; Q104-L108 WeakPolarHBondContact O-CG 3.4Å; Q104-L108 PolarHBondContact O-N 3.01Å; I105-L108 PolarHBondContact O-N 3.32Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.3Å; L108-F111 HydrophobicContact CD2-CD2 4.35Å; L108-F111 PolarHBondContact O-N 2.97Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.36Å; L108-V179 HydrophobicContact CD1-CG1 4.32Å; L108-F183 HydrophobicContact CD1-CD2 4.23Å; L108-F183 HydrophobicContact CD2-CD2 4.1Å; L108-F183 HydrophobicContact CG-CD2 3.86Å; L108-F183 HydrophobicContact CG-CE2 4.49Å; L108-V186 HydrophobicContact CD2-CB 3.46Å; L108-V186 VanDerWaalsContact CD2-CB 3.46Å; L108-V186 HydrophobicContact CD2-CG1 3.67Å; L108-V186 HydrophobicContact CD2-CG2 3.84Å
109	F	94.8	Very high	91.1	Very high	125 Å²	125	43.2 Å²	43.2	55%	0.548	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-43.2	173.7	175.8	-97.3	0	0	0	111.7	I105 F106 I107 L112 L113	I105-F109 PolarHBondContact O-N 2.86Å; F106-F109 WeakPolarHBondContact O-CB 3.31Å; F106-F109 PolarHBondContact O-N 3.34Å; I107-F109 VanDerWaalsContact C-N 3.29Å; I107-F109 PolarHBondContact O-N 2.9Å; F109-L112 PolarHBondContact O-N 2.99Å; F109-L113 HydrophobicContact CE1-CD2 4.24Å; F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 PolarHBondContact O-N 3Å
110	L	95.8	Very high	92	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-42	175.7	-68	-179.4	0	0	0	112.7	I80 F106 I107 L108 L113 T114 L219 T223 V226	I80-L110 HydrophobicContact CG2-CD1 4.19Å; I80-L110 HydrophobicContact CG2-CD2 4.15Å; F106-L110 HydrophobicContact CD1-CD1 4.35Å; F106-L110 HydrophobicContact CE1-CD1 3.74Å; F106-L110 HydrophobicContact CE2-CD1 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.44Å; F106-L110 HydrophobicContact CE2-CG 4.3Å; F106-L110 HydrophobicContact CZ-CD1 3.71Å; F106-L110 HydrophobicContact CZ-CD2 4.45Å; F106-L110 HydrophobicContact CZ-CG 4.21Å; F106-L110 PolarHBondContact O-N 3.42Å; F106-L110 VanDerWaalsContact O-N 3.11Å; I107-L110 WeakPolarHBondContact O-CA 3.45Å; I107-L110 WeakPolarHBondContact O-CB 3.33Å; I107-L110 PolarHBondContact O-N 3.46Å; I107-L110 VanDerWaalsContact O-N 3.07Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.3Å; L110-L113 PolarHBondContact O-N 2.81Å; L110-T114 WeakPolarHBondContact O-CB 3.37Å; L110-T114 WeakPolarHBondContact O-CG2 3.13Å; L110-T114 PolarHBondContact O-N 2.84Å; L110-T114 PolarHBondContact O-OG1 2.62Å; L110-L219 HydrophobicContact CD2-CD1 4.42Å; L110-T223 HydrophobicContact CB-CG2 3.9Å; L110-V226 HydrophobicContact CD1-CB 4.44Å; L110-V226 HydrophobicContact CD1-CG1 4.26Å
111	F	96.1	Very high	92.7	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-44.2	175.5	-71.3	-19.3	0	0	0	112.5	I107 L108 T114 S115 F183 V186 Q187 F190 T223 L227	I107-F111 HydrophobicContact CG2-CD1 4.3Å; I107-F111 HydrophobicContact CG2-CD2 4.15Å; I107-F111 HydrophobicContact CG2-CE1 3.81Å; I107-F111 HydrophobicContact CG2-CE2 3.65Å; I107-F111 HydrophobicContact CG2-CG 4.46Å; I107-F111 HydrophobicContact CG2-CZ 3.46Å; I107-F111 VanDerWaalsContact CG2-CZ 3.46Å; I107-F111 WeakPolarHBondContact O-CG 3.27Å; I107-F111 PolarHBondContact O-N 3.48Å; L108-F111 HydrophobicContact CD2-CD2 4.35Å; L108-F111 PolarHBondContact O-N 2.97Å; F111-T114 WeakPolarHBondContact CA-OG1 3.34Å; F111-T114 PolarHBondContact O-OG1 2.92Å; F111-S115 WeakPolarHBondContact O-CB 3.4Å; F111-S115 PolarHBondContact O-N 3.42Å; F111-S115 PolarHBondContact O-OG 3.35Å; F111-F183 HydrophobicContact CE2-CE2 4.37Å; F111-F183 HydrophobicContact CE2-CZ 4.27Å; F111-V186 HydrophobicContact CB-CG1 4.11Å; F111-V186 HydrophobicContact CD2-CG1 4.17Å; F111-Q187 HydrophobicContact CE2-CB 3.83Å; F111-Q187 HydrophobicContact CE2-CG 4.08Å; F111-Q187 HydrophobicContact CZ-CB 4.4Å; F111-Q187 HydrophobicContact CZ-CG 4.14Å; F111-F190 HydrophobicContact CB-CB 4.13Å; F111-F190 HydrophobicContact CB-CD2 4.25Å; F111-F190 HydrophobicContact CB-CG 4.21Å; F111-F190 HydrophobicContact CD1-CB 4.18Å; F111-F190 AromaticContact CD1-CD1 3.55Å; F111-F190 HydrophobicContact CD1-CD1 3.55Å; F111-F190 AromaticContact CD1-CD2 3.87Å; F111-F190 HydrophobicContact CD1-CD2 3.87Å; F111-F190 AromaticContact CD1-CE1 3.8Å; F111-F190 HydrophobicContact CD1-CE1 3.8Å; F111-F190 HydrophobicContact CD1-CE2 4.11Å; F111-F190 AromaticContact CD1-CG 3.58Å; F111-F190 HydrophobicContact CD1-CG 3.58Å; F111-F190 HydrophobicContact CD1-CZ 4.06Å; F111-F190 HydrophobicContact CD2-CB 4.45Å; F111-F190 AromaticContact CE1-CD1 3.54Å; F111-F190 HydrophobicContact CE1-CD1 3.54Å; F111-F190 AromaticContact CE1-CE1 3.65Å; F111-F190 HydrophobicContact CE1-CE1 3.65Å; F111-F190 HydrophobicContact CE1-CG 4.07Å; F111-F190 HydrophobicContact CE1-CZ 4.25Å; F111-F190 HydrophobicContact CG-CB 4.03Å; F111-F190 HydrophobicContact CG-CD1 4.24Å; F111-F190 HydrophobicContact CG-CD2 4.31Å; F111-F190 AromaticContact CG-CG 3.93Å; F111-F190 HydrophobicContact CG-CG 3.93Å; F111-F190 HydrophobicContact CZ-CD1 4.2Å; F111-T223 HydrophobicContact CD1-CG2 3.84Å; F111-T223 HydrophobicContact CE1-CG2 4.09Å; F111-L227 HydrophobicContact CE1-CD2 3.96Å; F111-L227 HydrophobicContact CZ-CD1 4.04Å; F111-L227 HydrophobicContact CZ-CD2 3.85Å; F111-L227 HydrophobicContact CZ-CG 4.5Å
112	L	95.4	Very high	93.2	Very high	104 Å²	104	42 Å²	42	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-48	177.4	-68.9	174.3	0	0	0	111.1	L108 F109 T114 S115 V116	L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.36Å; F109-L112 PolarHBondContact O-N 2.99Å; L112-T114 PolarHBondContact O-N 3.07Å; L112-S115 PolarHBondContact O-N 3.26Å; L112-V116 WeakPolarHBondContact O-CB 3.5Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.38Å; L112-V116 PolarHBondContact O-N 2.98Å
113	L	95.7	Very high	93.4	Very high	79 Å²	79	42.9 Å²	42.9	41%	0.414	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-46	-178	-173.2	65.7	0	0	0	112.2	F109 L110 W117 L219	F109-L113 HydrophobicContact CE1-CD2 4.24Å; F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 PolarHBondContact O-N 3Å; L110-L113 PolarHBondContact O-N 2.81Å; L113-W117 PolarHBondContact O-N 3.47Å; L113-L219 HydrophobicContact CB-CD2 4.45Å; L113-L219 HydrophobicContact CD2-CD1 3.98Å; L113-L219 HydrophobicContact CD2-CD2 3.89Å; L113-L219 HydrophobicContact CG-CD2 3.73Å
114	T	96.3	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-45.1	175.3	46.1	0	0	0	0	112.6	L110 F111 L112 V116 W117 M118 F190 L219 T223	L110-T114 WeakPolarHBondContact O-CB 3.37Å; L110-T114 WeakPolarHBondContact O-CG2 3.13Å; L110-T114 PolarHBondContact O-N 2.84Å; L110-T114 PolarHBondContact O-OG1 2.62Å; F111-T114 WeakPolarHBondContact CA-OG1 3.34Å; F111-T114 PolarHBondContact O-OG1 2.92Å; L112-T114 PolarHBondContact O-N 3.07Å; T114-V116 PolarHBondContact O-N 2.76Å; T114-W117 PolarHBondContact O-N 2.88Å; T114-M118 WeakPolarHBondContact O-CG 3.4Å; T114-M118 PolarHBondContact O-N 3.48Å; T114-F190 WeakPolarHBondContact OG1-CE2 3.15Å; T114-L219 HydrophobicContact CG2-CD1 4.27Å; T114-L219 HydrophobicContact CG2-CD2 4.04Å; T114-L219 HydrophobicContact CG2-CG 3.66Å; T114-T223 HydrophobicContact CG2-CG2 4.06Å; T114-T223 WeakPolarHBondContact CG2-OG1 3.26Å
115	S	96.4	Very high	93.2	Very high	19 Å²	19	46 Å²	46	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-43.7	-179.1	-60.7	0	0	0	0	111.7	F111 L112 W117 M118 V119	F111-S115 WeakPolarHBondContact O-CB 3.4Å; F111-S115 PolarHBondContact O-N 3.42Å; F111-S115 PolarHBondContact O-OG 3.35Å; L112-S115 PolarHBondContact O-N 3.26Å; S115-W117 VanDerWaalsContact C-N 3.32Å; S115-W117 PolarHBondContact O-N 2.97Å; S115-M118 PolarHBondContact O-N 2.86Å; S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 3.26Å
116	V	96.3	Very high	92.8	Very high	104 Å²	104	45.5 Å²	45.5	63%	0.63	24%	0.236	S	C	*	.	H	α-helix	trans	-59	-44.8	175.2	169.8	0	0	0	0	110.9	L112 T114 Y120	L112-V116 WeakPolarHBondContact O-CB 3.5Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.38Å; L112-V116 PolarHBondContact O-N 2.98Å; T114-V116 PolarHBondContact O-N 2.76Å; V116-Y120 WeakPolarHBondContact O-CB 3.49Å; V116-Y120 PolarHBondContact O-N 3.27Å
117	W	95.9	Very high	92.3	Very high	23 Å²	23	52.4 Å²	52.4	9%	0.087	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-43.9	177.3	174.8	83.2	0	0	0	112.8	L113 T114 S115 V119 Y120 F121 F197 L212 L217	L113-W117 PolarHBondContact O-N 3.47Å; T114-W117 PolarHBondContact O-N 2.88Å; S115-W117 VanDerWaalsContact C-N 3.32Å; S115-W117 PolarHBondContact O-N 2.97Å; W117-V119 PolarHBondContact O-N 3.44Å; W117-Y120 WeakPolarHBondContact O-CB 3.48Å; W117-Y120 PolarHBondContact O-N 3.47Å; W117-F121 HydrophobicContact CH2-CD2 4.3Å; W117-F121 HydrophobicContact CZ2-CB 4.33Å; W117-F121 AromaticContact CZ2-CD2 3.83Å; W117-F121 HydrophobicContact CZ2-CD2 3.83Å; W117-F121 HydrophobicContact CZ2-CG 4.32Å; W117-F121 WeakPolarHBondContact O-CB 3.43Å; W117-F121 PolarHBondContact O-N 2.94Å; W117-F197 HydrophobicContact CH2-CE1 4.45Å; W117-F197 HydrophobicContact CH2-CE2 4.26Å; W117-F197 AromaticContact CH2-CZ 3.68Å; W117-F197 HydrophobicContact CH2-CZ 3.68Å; W117-F197 HydrophobicContact CZ3-CE1 4.19Å; W117-F197 HydrophobicContact CZ3-CE2 4.19Å; W117-F197 AromaticContact CZ3-CZ 3.71Å; W117-F197 HydrophobicContact CZ3-CZ 3.71Å; W117-L212 PolarHBondContact NE1-O 3.45Å; W117-L217 HydrophobicContact CH2-CD2 3.76Å; W117-L217 HydrophobicContact CH2-CG 3.76Å; W117-L217 HydrophobicContact CZ2-CG 4.37Å; W117-L217 HydrophobicContact CZ3-CD2 4.35Å
118	M	95.2	Very high	91.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-42.2	178.5	-73.1	-176.4	-70.1	0	0	111.7	T114 S115 F121 T122 F190 V193 Q194 F197	T114-M118 WeakPolarHBondContact O-CG 3.4Å; T114-M118 PolarHBondContact O-N 3.48Å; S115-M118 PolarHBondContact O-N 2.86Å; M118-F121 PolarHBondContact O-N 3.43Å; M118-T122 PolarHBondContact O-N 3.45Å; M118-T122 PolarHBondContact O-OG1 3.48Å; M118-F190 HydrophobicContact CE-CD2 4.09Å; M118-F190 HydrophobicContact CE-CE2 3.86Å; M118-V193 HydrophobicContact CB-CG1 4.15Å; M118-V193 HydrophobicContact CE-CG1 4.05Å; M118-Q194 HydrophobicContact CE-CB 3.9Å; M118-Q194 HydrophobicContact CE-CG 4.38Å; M118-Q194 HydrophobicContact SD-CB 3.94Å; M118-Q194 HydrophobicContact SD-CG 3.99Å; M118-F197 HydrophobicContact CB-CB 4.3Å; M118-F197 HydrophobicContact CB-CD2 3.94Å; M118-F197 HydrophobicContact CB-CE2 4.46Å; M118-F197 HydrophobicContact CB-CG 4.09Å; M118-F197 HydrophobicContact CG-CB 4.36Å; M118-F197 HydrophobicContact CG-CD1 4.08Å; M118-F197 HydrophobicContact CG-CD2 4.05Å; M118-F197 HydrophobicContact CG-CE1 4.43Å; M118-F197 HydrophobicContact CG-CE2 4.33Å; M118-F197 HydrophobicContact CG-CG 3.9Å; M118-F197 HydrophobicContact SD-CB 4.05Å; M118-F197 HydrophobicContact SD-CD1 3.94Å; M118-F197 HydrophobicContact SD-CG 4Å
119	V	94.8	Very high	89.7	Confident	66 Å²	66	61.2 Å²	61.2	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-45.5	175.6	172.2	0	0	0	0	111	S115 W117 F121 T122 I123 V193	S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 3.26Å; W117-V119 PolarHBondContact O-N 3.44Å; V119-F121 VanDerWaalsContact C-N 3.33Å; V119-F121 PolarHBondContact O-N 2.77Å; V119-T122 PolarHBondContact O-N 3.47Å; V119-I123 HydrophobicContact CG1-CD1 3.66Å; V119-I123 HydrophobicContact CG1-CG1 4.41Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.29Å; V119-I123 PolarHBondContact O-N 2.88Å; V119-V193 HydrophobicContact CG2-CG1 4.11Å
120	Y	94	Very high	87.8	Confident	98 Å²	98	63.3 Å²	63.3	38%	0.384	33%	0.326	S	S	.	.	H	α-helix	trans	-56.3	-47.4	174.7	168.5	-95.1	0	0	0	111.7	V116 W117 T122 I123 Y124 Q209 L212	V116-Y120 WeakPolarHBondContact O-CB 3.49Å; V116-Y120 PolarHBondContact O-N 3.27Å; W117-Y120 WeakPolarHBondContact O-CB 3.48Å; W117-Y120 PolarHBondContact O-N 3.47Å; Y120-T122 PolarHBondContact O-N 3.14Å; Y120-I123 PolarHBondContact O-N 3.05Å; Y120-Y124 VanDerWaalsContact O-CB 3.31Å; Y120-Y124 WeakPolarHBondContact O-CB 3.46Å; Y120-Y124 PolarHBondContact O-N 3.36Å; Y120-Q209 PolarHBondContact OH-NE2 3.04Å; Y120-Q209 VanDerWaalsContact OH-NE2 3.11Å; Y120-Q209 PolarHBondContact OH-OE1 3.36Å; Y120-L212 HydrophobicContact CD1-CD2 4.4Å; Y120-L212 HydrophobicContact CE1-CD2 3.53Å
121	F	91.4	Very high	85.9	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-46.3	179.4	-178.6	-82.4	0	0	0	111.8	W117 M118 V119 Y124 N125 F197 H201 V206 S213	W117-F121 HydrophobicContact CH2-CD2 4.3Å; W117-F121 HydrophobicContact CZ2-CB 4.33Å; W117-F121 AromaticContact CZ2-CD2 3.83Å; W117-F121 HydrophobicContact CZ2-CD2 3.83Å; W117-F121 HydrophobicContact CZ2-CG 4.32Å; W117-F121 WeakPolarHBondContact O-CB 3.43Å; W117-F121 PolarHBondContact O-N 2.94Å; M118-F121 PolarHBondContact O-N 3.43Å; V119-F121 VanDerWaalsContact C-N 3.33Å; V119-F121 PolarHBondContact O-N 2.77Å; F121-Y124 PolarHBondContact O-N 3.45Å; F121-N125 WeakPolarHBondContact CD1-ND2 3.29Å; F121-N125 WeakPolarHBondContact CE1-ND2 2.96Å; F121-N125 WeakPolarHBondContact CE2-ND2 3.32Å; F121-N125 WeakPolarHBondContact CG-ND2 3.43Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.22Å; F121-N125 PolarHBondContact O-N 3.31Å; F121-N125 PolarHBondContact O-ND2 3.13Å; F121-F197 HydrophobicContact CB-CE2 4.05Å; F121-F197 HydrophobicContact CD1-CD2 4.22Å; F121-F197 AromaticContact CD1-CE2 3.32Å; F121-F197 HydrophobicContact CD1-CE2 3.32Å; F121-F197 HydrophobicContact CD1-CZ 4.09Å; F121-F197 AromaticContact CE1-CE2 3.82Å; F121-F197 HydrophobicContact CE1-CE2 3.82Å; F121-F197 HydrophobicContact CE1-CZ 4.24Å; F121-F197 AromaticContact CG-CE2 3.79Å; F121-F197 HydrophobicContact CG-CE2 3.79Å; F121-F197 HydrophobicContact CG-CZ 4.43Å; F121-H201 HydrophobicContact CE1-CB 4.13Å; F121-H201 AromaticContact CE1-CG 3.93Å; F121-V206 HydrophobicContact CE2-CG2 3.63Å; F121-V206 HydrophobicContact CZ-CG2 3.45Å; F121-V206 VanDerWaalsContact CZ-CG2 3.45Å; F121-S213 WeakPolarHBondContact CE2-OG 3.34Å
122	T	90	Very high	84.3	Confident	28 Å²	28	66 Å²	66	17%	0.172	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-46.7	178.6	-60.4	0	0	0	0	111.2	M118 V119 Y120 S126 Y196 H201	M118-T122 PolarHBondContact O-N 3.45Å; M118-T122 PolarHBondContact O-OG1 3.48Å; V119-T122 PolarHBondContact O-N 3.47Å; Y120-T122 PolarHBondContact O-N 3.14Å; T122-S126 WeakPolarHBondContact O-CB 3.43Å; T122-S126 PolarHBondContact O-N 2.85Å; T122-S126 PolarHBondContact O-OG 2.95Å; T122-Y196 HydrophobicContact CG2-CE1 4.16Å; T122-H201 PolarHBondContact OG1-NE2 2.98Å
123	I	89.9	Confident	82.9	Confident	87 Å²	87	67.3 Å²	67.3	45%	0.446	35%	0.347	S	S	.	.	H	α-helix	trans	-66.6	-38.2	179.9	-66.3	168.4	0	0	0	111.6	V119 Y120 S126 K127	V119-I123 HydrophobicContact CG1-CD1 3.66Å; V119-I123 HydrophobicContact CG1-CG1 4.41Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.29Å; V119-I123 PolarHBondContact O-N 2.88Å; Y120-I123 PolarHBondContact O-N 3.05Å; I123-S126 PolarHBondContact O-OG 3.11Å; I123-K127 WeakPolarHBondContact O-CG 3.39Å
124	Y	87.8	Confident	81.5	Confident	66 Å²	66	71 Å²	71	26%	0.259	36%	0.359	S	S	.	.	H	α-helix	trans	-68.5	-46.7	179.6	-179.1	-97.5	0	0	0	111.5	Y120 F121 K127 T128 V208 Q209	Y120-Y124 VanDerWaalsContact O-CB 3.31Å; Y120-Y124 WeakPolarHBondContact O-CB 3.46Å; Y120-Y124 PolarHBondContact O-N 3.36Å; F121-Y124 PolarHBondContact O-N 3.45Å; Y124-K127 PolarHBondContact O-N 3.18Å; Y124-T128 PolarHBondContact O-N 3.31Å; Y124-T128 PolarHBondContact O-OG1 3.38Å; Y124-V208 WeakPolarHBondContact OH-CG1 3.25Å; Y124-Q209 HydrophobicContact CE1-CG 3.8Å
125	N	82.1	Confident	80	Confident	17 Å²	17	71 Å²	71	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-70	-34.3	-179.3	-73.8	-68.6	0	0	0	112.6	F121 K127 T128 V132	F121-N125 WeakPolarHBondContact CD1-ND2 3.29Å; F121-N125 WeakPolarHBondContact CE1-ND2 2.96Å; F121-N125 WeakPolarHBondContact CE2-ND2 3.32Å; F121-N125 WeakPolarHBondContact CG-ND2 3.43Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.22Å; F121-N125 PolarHBondContact O-N 3.31Å; F121-N125 PolarHBondContact O-ND2 3.13Å; N125-K127 PolarHBondContact O-N 2.97Å; N125-T128 CarbonylContact O-C 3.51Å; N125-T128 PolarHBondContact O-N 3.38Å; N125-V132 WeakPolarHBondContact OD1-CG2 3.32Å
126	S	82.1	Confident	78.3	Confident	77 Å²	77	77.5 Å²	77.5	54%	0.538	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-26.2	175.4	67.7	0	0	0	0	113.3	T122 I123 T128	T122-S126 WeakPolarHBondContact O-CB 3.43Å; T122-S126 PolarHBondContact O-N 2.85Å; T122-S126 PolarHBondContact O-OG 2.95Å; I123-S126 PolarHBondContact O-OG 3.11Å; S126-T128 VanDerWaalsContact C-N 3.35Å
127	K	82.6	Confident	76.8	Confident	171 Å²	171	76.7 Å²	76.7	74%	0.743	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.1	174.3	-68.6	-177.1	-177.7	-174.2	0	113.8	I123 Y124 N125	I123-K127 WeakPolarHBondContact O-CG 3.39Å; Y124-K127 PolarHBondContact O-N 3.18Å; N125-K127 PolarHBondContact O-N 2.97Å
128	T	72.7	Confident	75.2	Confident	43 Å²	43	75.6 Å²	75.6	26%	0.264	37%	0.366	S	S	.	.			trans	-124.2	44.5	-167.8	-31.8	0	0	0	0	110.8	Y124 N125 S126 N130 A131	Y124-T128 PolarHBondContact O-N 3.31Å; Y124-T128 PolarHBondContact O-OG1 3.38Å; N125-T128 CarbonylContact O-C 3.51Å; N125-T128 PolarHBondContact O-N 3.38Å; S126-T128 VanDerWaalsContact C-N 3.35Å; T128-N130 PolarHBondContact O-N 2.81Å; T128-A131 HydrophobicContact CG2-CB 4.15Å; T128-A131 PolarHBondContact O-N 3.43Å
129	E	57.6	Low	73.7	Confident	169 Å²	169	75.7 Å²	75.7	79%	0.79	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-23.3	-170.6	-85.1	-175.2	145.1	0	0	115.5
130	N	54.9	Low	72.7	Confident	169 Å²	169	74.5 Å²	74.5	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	5	-174.5	-64.9	-26.9	0	0	0	115.3	T128	T128-N130 PolarHBondContact O-N 2.81Å
131	A	56.4	Low	71.8	Confident	26 Å²	26	76 Å²	76	22%	0.215	38%	0.375	C	S	.	.	S	Bend	trans	-120.5	6.2	-172.2	0	0	0	0	0	115.5	T128 V208	T128-A131 HydrophobicContact CG2-CB 4.15Å; T128-A131 PolarHBondContact O-N 3.43Å; A131-V208 HydrophobicContact CB-CG2 3.5Å
132	V	62.5	Low	71.2	Confident	35 Å²	35	78.5 Å²	78.5	21%	0.212	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111	-177.9	-177.7	0	0	0	0	109.8	N125 D204	N125-V132 WeakPolarHBondContact OD1-CG2 3.32Å; V132-D204 HydrophobicContact CG1-CB 3.48Å; V132-D204 VanDerWaalsContact CG1-CB 3.48Å
133	F	67	Low	70.6	Confident	132 Å²	132	77.6 Å²	77.6	58%	0.579	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.2	171.3	-68.4	-86	0	0	0	109.2	C205 Q207	F133-C205 HydrophobicContact CB-CB 4.28Å; F133-C205 WeakPolarHBondContact O-CA 3.35Å; F133-C205 VanDerWaalsContact O-CB 3.29Å; F133-C205 WeakPolarHBondContact O-CB 3.37Å; F133-C205 PolarHBondContact O-N 3.12Å; F133-Q207 HydrophobicContact CD2-CG 4.11Å
134	K	65.8	Low	70.3	Confident	157 Å²	157	74.9 Å²	74.9	68%	0.683	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.2	175.2	-71.7	179.8	179.6	172.9	0	109.7	R136 R203	K134-R136 PolarHBondContact O-N 3.41Å; K134-R203 CarbonylContact C-O 3.5Å; K134-R203 VanDerWaalsContact CA-O 3.27Å; K134-R203 WeakPolarHBondContact CA-O 3.25Å; K134-R203 HydrophobicContact CB-CB 4.42Å; K134-R203 HydrophobicContact CG-CB 4.49Å
135	D	63.9	Low	70.2	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-75.7	117.2	168.6	178.1	-13.8	0	0	0	108.3	H137 A138 R203 C205 N307 R310	D135-H137 VanDerWaalsContact C-N 3.3Å; D135-H137 WeakPolarHBondContact OD1-CA 3.36Å; D135-H137 WeakPolarHBondContact OD1-CB 3.5Å; D135-H137 PolarHBondContact OD1-N 3.14Å; D135-H137 IonicContact OD1-ND1 2.94Å; D135-A138 HydrophobicContact CB-CB 3.7Å; D135-A138 PolarHBondContact O-N 3.08Å; D135-A138 PolarHBondContact OD1-N 2.98Å; D135-A138 VanDerWaalsContact OD1-N 3.12Å; D135-R203 PolarHBondContact N-O 2.94Å; D135-R203 WeakPolarHBondContact O-CG 3.5Å; D135-C205 WeakPolarHBondContact CB-SG 3.22Å; D135-N307 PolarHBondContact OD2-ND2 2.71Å; D135-R310 IonicContact OD1-NH2 2.62Å; D135-R310 IonicContact OD2-CZ 3.48Å; D135-R310 IonicContact OD2-NE 3.31Å; D135-R310 IonicContact OD2-NH2 2.81Å; D135-R310 PolarHBondContact OD2-NH2 3.14Å
136	R	62.1	Low	70.4	Confident	155 Å²	155	73.5 Å²	73.5	59%	0.585	37%	0.367	S	S	*	.	S	Bend	trans	-77.4	-17.5	-176.5	-169.1	156.5	165.8	149.5	-3	113	K134 H317	K134-R136 PolarHBondContact O-N 3.41Å; R136-H317 WeakPolarHBondContact CD-NE2 3.45Å
137	H	64.2	Low	70.8	Confident	86 Å²	86	69.8 Å²	69.8	40%	0.398	34%	0.341	S	S	.	.	S	Bend	trans	-87	-18.6	172.6	-59.3	96.6	0	0	0	112.2	D135 E312 T404	D135-H137 VanDerWaalsContact C-N 3.3Å; D135-H137 WeakPolarHBondContact OD1-CA 3.36Å; D135-H137 WeakPolarHBondContact OD1-CB 3.5Å; D135-H137 PolarHBondContact OD1-N 3.14Å; D135-H137 IonicContact OD1-ND1 2.94Å; H137-E312 IonicContact ND1-OE1 3.94Å; H137-T404 HydrophobicContact CB-CG2 4.46Å
138	A	63	Low	71.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-76.2	138.8	175.5	0	0	0	0	0	112.2	D135 S202 R203 N307	D135-A138 HydrophobicContact CB-CB 3.7Å; D135-A138 PolarHBondContact O-N 3.08Å; D135-A138 PolarHBondContact OD1-N 2.98Å; D135-A138 VanDerWaalsContact OD1-N 3.12Å; A138-S202 WeakPolarHBondContact CB-O 3.38Å; A138-R203 WeakPolarHBondContact O-CG 3.44Å; A138-N307 VanDerWaalsContact CB-ND2 3.31Å; A138-N307 WeakPolarHBondContact CB-ND2 3.35Å
139	G	63.9	Low	72.1	Confident	4 Å²	4	67.6 Å²	67.6	4%	0.041	34%	0.335	C	S	.	.	S	Bend	trans	58.8	63.7	178.2	0	0	0	0	0	112.8	R144	G139-R144 PolarHBondContact O-NE 3.08Å; G139-R144 VanDerWaalsContact O-NE 3.15Å
140	P	72.4	Confident	73.7	Confident	41 Å²	41	59.6 Å²	59.6	27%	0.266	30%	0.298	S	S	.	.			trans	-59.2	152.3	177.9	26.9	-34.5	0	0	0	110.7	W142 L143 R144	P140-W142 HydrophobicContact CG-CZ2 4.29Å; P140-W142 PolarHBondContact O-N 3.1Å; P140-L143 HydrophobicContact CG-CB 3.91Å; P140-L143 HydrophobicContact CG-CD1 4.47Å; P140-L143 WeakPolarHBondContact O-CB 3.44Å; P140-L143 PolarHBondContact O-N 3.22Å; P140-R144 PolarHBondContact O-N 3.38Å
141	I	76.4	Confident	75.6	Confident	129 Å²	129	51.7 Å²	51.7	66%	0.662	26%	0.256	S	S	*	.	H	α-helix	trans	-57.2	-39.2	-169.6	-65.7	166.8	0	0	0	111.6	L143 R144 A145	I141-L143 VanDerWaalsContact C-N 3.3Å; I141-L143 PolarHBondContact O-N 3.26Å; I141-R144 PolarHBondContact O-N 2.79Å; I141-A145 WeakPolarHBondContact O-CB 3.34Å; I141-A145 PolarHBondContact O-N 3.44Å
142	W	76.9	Confident	77.4	Confident	55 Å²	55	54.1 Å²	54.1	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-38.4	179.2	69.1	-97.7	0	0	0	112.3	P140 A145 G146 F296 H586 A589	P140-W142 HydrophobicContact CG-CZ2 4.29Å; P140-W142 PolarHBondContact O-N 3.1Å; W142-A145 PolarHBondContact O-N 3.28Å; W142-G146 PolarHBondContact O-N 2.88Å; W142-F296 HydrophobicContact CE3-CE1 4.46Å; W142-F296 AromaticContact CZ3-CE1 3.86Å; W142-F296 HydrophobicContact CZ3-CE1 3.86Å; W142-F296 HydrophobicContact CZ3-CZ 4.28Å; W142-H586 HydrophobicContact CH2-CB 4.27Å; W142-H586 AromaticContact CH2-CG 3.95Å; W142-H586 AromaticContact CH2-ND1 3.5Å; W142-A589 HydrophobicContact CB-CB 4.06Å; W142-A589 HydrophobicContact CD2-CB 3.08Å; W142-A589 HydrophobicContact CE3-CB 3.46Å; W142-A589 VanDerWaalsContact CE3-CB 3.46Å; W142-A589 HydrophobicContact CG-CB 3.36Å; W142-A589 HydrophobicContact CH2-CB 4.09Å; W142-A589 HydrophobicContact CZ2-CB 3.77Å; W142-A589 HydrophobicContact CZ3-CB 3.94Å
143	L	78.5	Confident	78.8	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-38.6	-176.7	-160.9	156.9	0	0	0	110.2	P140 I141 G146 L147 F296 M300	P140-L143 HydrophobicContact CG-CB 3.91Å; P140-L143 HydrophobicContact CG-CD1 4.47Å; P140-L143 WeakPolarHBondContact O-CB 3.44Å; P140-L143 PolarHBondContact O-N 3.22Å; I141-L143 VanDerWaalsContact C-N 3.3Å; I141-L143 PolarHBondContact O-N 3.26Å; L143-G146 PolarHBondContact O-N 3.03Å; L143-L147 PolarHBondContact O-N 3.11Å; L143-F296 HydrophobicContact CD2-CD1 4.31Å; L143-F296 HydrophobicContact CG-CD1 4.12Å; L143-F296 HydrophobicContact CG-CE1 4.23Å; L143-M300 HydrophobicContact CD2-CB 4.45Å; L143-M300 HydrophobicContact CD2-CE 3.61Å; L143-M300 HydrophobicContact CD2-CG 3.04Å; L143-M300 HydrophobicContact CD2-SD 3.24Å; L143-M300 WeakPolarHBondContact CD2-SD 3.27Å; L143-M300 HydrophobicContact CG-CG 4.44Å
144	R	84.6	Confident	80	Confident	30 Å²	30	48 Å²	48	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-43.7	171.5	-66.5	176.1	171.4	-157.3	-15.2	112.3	G139 P140 I141 L147 L148 W199 S202 R203	G139-R144 PolarHBondContact O-NE 3.08Å; G139-R144 VanDerWaalsContact O-NE 3.15Å; P140-R144 PolarHBondContact O-N 3.38Å; I141-R144 PolarHBondContact O-N 2.79Å; R144-L147 WeakPolarHBondContact O-CB 3.47Å; R144-L147 PolarHBondContact O-N 3.36Å; R144-L148 PolarHBondContact O-N 3.34Å; R144-W199 HydrophobicContact CB-CE3 3.75Å; R144-W199 HydrophobicContact CB-CH2 4.45Å; R144-W199 HydrophobicContact CB-CZ3 3.7Å; R144-W199 PolarHBondContact NH2-O 3.02Å; R144-W199 VanDerWaalsContact O-CZ3 3.3Å; R144-W199 WeakPolarHBondContact O-CZ3 3.4Å; R144-S202 VanDerWaalsContact CZ-OG 3.24Å; R144-S202 PolarHBondContact NE-OG 2.96Å; R144-S202 PolarHBondContact NH2-OG 3.39Å; R144-R203 VanDerWaalsContact NH2-CD 3.34Å
145	A	85.2	Confident	81.4	Confident	51 Å²	51	42 Å²	42	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-63.3	-42.3	177.2	0	0	0	0	0	111.6	I141 W142 L148 L149	I141-A145 WeakPolarHBondContact O-CB 3.34Å; I141-A145 PolarHBondContact O-N 3.44Å; W142-A145 PolarHBondContact O-N 3.28Å; A145-L148 PolarHBondContact O-N 3.44Å; A145-L149 WeakPolarHBondContact O-CB 3.41Å; A145-L149 PolarHBondContact O-N 3.1Å
146	G	85.7	Confident	82.8	Confident	3 Å²	3	45 Å²	45	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-46	173.7	0	0	0	0	0	112.6	W142 L143 L148 L149 F150 M585	W142-G146 PolarHBondContact O-N 2.88Å; L143-G146 PolarHBondContact O-N 3.03Å; G146-L148 VanDerWaalsContact C-N 3.33Å; G146-L148 PolarHBondContact O-N 2.82Å; G146-L149 PolarHBondContact O-N 3.01Å; G146-F150 WeakPolarHBondContact O-CD2 3.43Å; G146-F150 PolarHBondContact O-N 2.82Å; G146-M585 VanDerWaalsContact CA-CE 3.49Å
147	L	90.1	Very high	84.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.2	-48.2	174.7	-176	68.6	0	0	0	112.2	L143 R144 G151 T195 L198 Y293 A297 M300	L143-L147 PolarHBondContact O-N 3.11Å; R144-L147 WeakPolarHBondContact O-CB 3.47Å; R144-L147 PolarHBondContact O-N 3.36Å; L147-G151 PolarHBondContact O-N 3.23Å; L147-T195 HydrophobicContact CD2-CG2 4.28Å; L147-T195 HydrophobicContact CG-CG2 4.35Å; L147-L198 HydrophobicContact CD1-CD1 4.3Å; L147-L198 HydrophobicContact CD2-CB 3.54Å; L147-L198 HydrophobicContact CD2-CD1 4.12Å; L147-L198 HydrophobicContact CD2-CG 4.46Å; L147-Y293 HydrophobicContact CD1-CD2 3.82Å; L147-Y293 HydrophobicContact CD1-CE2 3.38Å; L147-Y293 HydrophobicContact CG-CE2 4.13Å; L147-A297 HydrophobicContact CD1-CB 4.28Å; L147-M300 HydrophobicContact CB-CE 3.65Å; L147-M300 HydrophobicContact CD1-CE 3.36Å; L147-M300 HydrophobicContact CD2-CE 3.51Å; L147-M300 HydrophobicContact CD2-SD 4.04Å; L147-M300 HydrophobicContact CG-CE 3.63Å
148	L	92.6	Very high	85.3	Confident	81 Å²	81	33.6 Å²	33.6	42%	0.424	19%	0.185	S	C	.	.	H	α-helix	trans	-63.9	-44.7	-179.5	-177.4	65.9	0	0	0	111.3	R144 A145 G146 G151 V152 T195 W199	R144-L148 PolarHBondContact O-N 3.34Å; A145-L148 PolarHBondContact O-N 3.44Å; G146-L148 VanDerWaalsContact C-N 3.33Å; G146-L148 PolarHBondContact O-N 2.82Å; L148-G151 PolarHBondContact O-N 2.83Å; L148-V152 HydrophobicContact CD1-CG2 4.48Å; L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.26Å; L148-T195 HydrophobicContact CD1-CG2 4.17Å; L148-W199 HydrophobicContact CB-CE3 4.33Å; L148-W199 HydrophobicContact CB-CZ3 4.1Å; L148-W199 HydrophobicContact CD2-CH2 4.45Å; L148-W199 HydrophobicContact CD2-CZ3 4.18Å
149	L	90.7	Very high	86.7	Confident	86 Å²	86	37.1 Å²	37.1	45%	0.45	21%	0.207	S	C	.	.	H	α-helix	trans	-59.9	-54.4	179.4	176.9	63.5	0	0	0	111.5	A145 G146 G151 V152 L153	A145-L149 WeakPolarHBondContact O-CB 3.41Å; A145-L149 PolarHBondContact O-N 3.1Å; G146-L149 PolarHBondContact O-N 3.01Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.46Å; L149-V152 PolarHBondContact O-N 3.42Å; L149-L153 HydrophobicContact CD1-CD1 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.29Å; L149-L153 WeakPolarHBondContact O-CG 3.33Å; L149-L153 PolarHBondContact O-N 3.48Å; L149-L153 VanDerWaalsContact O-N 3.07Å
150	F	91.8	Very high	87.8	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-31.6	-179.4	-61.9	-58.3	0	0	0	112.4	G146 L153 S154 F289 E292 Y293 F296 W544 M585	G146-F150 WeakPolarHBondContact O-CD2 3.43Å; G146-F150 PolarHBondContact O-N 2.82Å; F150-L153 HydrophobicContact CD1-CD1 4.43Å; F150-L153 PolarHBondContact O-N 3.27Å; F150-S154 VanDerWaalsContact O-CB 3.31Å; F150-S154 WeakPolarHBondContact O-CB 3.27Å; F150-S154 PolarHBondContact O-N 3.41Å; F150-S154 PolarHBondContact O-OG 3.34Å; F150-F289 HydrophobicContact CD1-CB 4.17Å; F150-F289 AromaticContact CD1-CD1 3.78Å; F150-F289 HydrophobicContact CD1-CD1 3.78Å; F150-F289 HydrophobicContact CD1-CG 4.39Å; F150-F289 AromaticContact CE1-CD1 3.75Å; F150-F289 HydrophobicContact CE1-CD1 3.75Å; F150-F289 HydrophobicContact CE1-CE1 4.36Å; F150-E292 HydrophobicContact CD1-CB 4.15Å; F150-E292 HydrophobicContact CD2-CB 4.28Å; F150-E292 HydrophobicContact CE1-CB 4.15Å; F150-E292 HydrophobicContact CE1-CG 4.45Å; F150-E292 HydrophobicContact CE2-CB 4.27Å; F150-E292 HydrophobicContact CG-CB 4.22Å; F150-E292 HydrophobicContact CZ-CB 4.2Å; F150-E292 HydrophobicContact CZ-CG 4.5Å; F150-Y293 HydrophobicContact CB-CD2 4.31Å; F150-F296 AromaticContact CD2-CD2 3.95Å; F150-F296 HydrophobicContact CD2-CD2 3.95Å; F150-F296 HydrophobicContact CD2-CE2 4.14Å; F150-F296 HydrophobicContact CD2-CG 4.49Å; F150-F296 AromaticContact CE2-CD2 3.84Å; F150-F296 HydrophobicContact CE2-CD2 3.84Å; F150-F296 AromaticContact CE2-CE2 3.55Å; F150-F296 HydrophobicContact CE2-CE2 3.55Å; F150-F296 HydrophobicContact CE2-CZ 4.16Å; F150-F296 HydrophobicContact CZ-CE2 4.49Å; F150-W544 AromaticContact CE1-CZ2 3.98Å; F150-W544 HydrophobicContact CE1-CZ2 3.98Å; F150-W544 AromaticContact CZ-CZ2 3.77Å; F150-W544 HydrophobicContact CZ-CZ2 3.77Å; F150-M585 HydrophobicContact CE2-CE 3.8Å; F150-M585 HydrophobicContact CE2-SD 3.36Å; F150-M585 WeakPolarHBondContact CE2-SD 3.28Å; F150-M585 HydrophobicContact CZ-CE 4.28Å; F150-M585 HydrophobicContact CZ-SD 3.53Å; F150-M585 VanDerWaalsContact CZ-SD 3.53Å
151	G	94	Very high	88.3	Confident	3 Å²	3	38.4 Å²	38.4	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-44.2	174	0	0	0	0	0	111.8	L147 L148 L149 S154 V155 Y293	L147-G151 PolarHBondContact O-N 3.23Å; L148-G151 PolarHBondContact O-N 2.83Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.46Å; G151-S154 PolarHBondContact O-N 2.98Å; G151-V155 WeakPolarHBondContact O-CG2 3.25Å; G151-V155 PolarHBondContact O-N 3.23Å; G151-Y293 VanDerWaalsContact CA-CD2 3.43Å
152	V	94.4	Very high	88.7	Confident	78 Å²	78	34.5 Å²	34.5	47%	0.473	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-45.3	175.2	171.1	0	0	0	0	111.4	L148 L149 S154 V155 I156	L148-V152 HydrophobicContact CD1-CG2 4.48Å; L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.26Å; L149-V152 PolarHBondContact O-N 3.42Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.35Å; V152-V155 PolarHBondContact O-N 3.41Å; V152-I156 HydrophobicContact CG1-CD1 4.01Å; V152-I156 WeakPolarHBondContact O-CG1 3.47Å; V152-I156 PolarHBondContact O-N 2.96Å
153	L	92.2	Very high	89.1	Confident	39 Å²	39	33.4 Å²	33.4	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-37.4	177.8	-68.6	172.7	0	0	0	112.3	L149 F150 I156 M157 L286 F289	L149-L153 HydrophobicContact CD1-CD1 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.29Å; L149-L153 WeakPolarHBondContact O-CG 3.33Å; L149-L153 PolarHBondContact O-N 3.48Å; L149-L153 VanDerWaalsContact O-N 3.07Å; F150-L153 HydrophobicContact CD1-CD1 4.43Å; F150-L153 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 2.88Å; L153-M157 PolarHBondContact O-N 3.31Å; L153-L286 HydrophobicContact CD2-CD2 4.14Å; L153-F289 HydrophobicContact CB-CB 3.9Å; L153-F289 HydrophobicContact CB-CD2 4.2Å; L153-F289 HydrophobicContact CB-CG 4.13Å; L153-F289 HydrophobicContact CD1-CB 4.26Å; L153-F289 HydrophobicContact CD1-CD1 3.85Å; L153-F289 HydrophobicContact CD1-CD2 3.96Å; L153-F289 HydrophobicContact CD1-CE1 4.14Å; L153-F289 HydrophobicContact CD1-CE2 4.29Å; L153-F289 HydrophobicContact CD1-CG 3.75Å; L153-F289 HydrophobicContact CD1-CZ 4.37Å
154	S	92.4	Very high	89	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-40.2	176.4	-54.6	0	0	0	0	111.8	F150 G151 V152 I156 M157 D158 N290	F150-S154 VanDerWaalsContact O-CB 3.31Å; F150-S154 WeakPolarHBondContact O-CB 3.27Å; F150-S154 PolarHBondContact O-N 3.41Å; F150-S154 PolarHBondContact O-OG 3.34Å; G151-S154 PolarHBondContact O-N 2.98Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.35Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 2.9Å; S154-M157 WeakPolarHBondContact O-CB 3.31Å; S154-M157 PolarHBondContact O-N 3.29Å; S154-D158 PolarHBondContact O-N 3.49Å; S154-N290 VanDerWaalsContact OG-CA 3.31Å; S154-N290 WeakPolarHBondContact OG-CA 3.31Å
155	V	94.6	Very high	88.5	Confident	29 Å²	29	32.7 Å²	32.7	18%	0.176	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-41	173.3	170	0	0	0	0	111.3	G151 V152 M157 D158 V159 I188 I191 L192	G151-V155 WeakPolarHBondContact O-CG2 3.25Å; G151-V155 PolarHBondContact O-N 3.23Å; V152-V155 PolarHBondContact O-N 3.41Å; V155-M157 VanDerWaalsContact C-N 3.31Å; V155-M157 PolarHBondContact O-N 3.25Å; V155-D158 PolarHBondContact O-N 3.25Å; V155-V159 VanDerWaalsContact O-CG2 3.31Å; V155-V159 WeakPolarHBondContact O-CG2 3.46Å; V155-V159 PolarHBondContact O-N 2.97Å; V155-I188 HydrophobicContact CG1-CG1 4.44Å; V155-I188 HydrophobicContact CG1-CG2 4.28Å; V155-I188 HydrophobicContact CG2-CG2 4.5Å; V155-I191 HydrophobicContact CG2-CB 4.39Å; V155-I191 HydrophobicContact CG2-CG2 3.91Å; V155-L192 HydrophobicContact CG2-CD2 4.42Å
156	I	93.1	Very high	88.2	Confident	64 Å²	64	32.5 Å²	32.5	33%	0.328	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-42.7	175.6	-66.8	166.7	0	0	0	110.4	V152 L153 S154 V159 F160 L286	V152-I156 HydrophobicContact CG1-CD1 4.01Å; V152-I156 WeakPolarHBondContact O-CG1 3.47Å; V152-I156 PolarHBondContact O-N 2.96Å; L153-I156 PolarHBondContact O-N 2.88Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 2.9Å; I156-V159 PolarHBondContact O-N 3.47Å; I156-F160 HydrophobicContact CG2-CD2 4.03Å; I156-F160 HydrophobicContact CG2-CE2 3.49Å; I156-F160 VanDerWaalsContact CG2-CE2 3.49Å; I156-F160 HydrophobicContact CG2-CZ 3.8Å; I156-F160 PolarHBondContact O-N 3.34Å; I156-L286 HydrophobicContact CB-CD1 4.34Å; I156-L286 HydrophobicContact CG2-CD1 3.71Å
157	M	89.2	Confident	87.7	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-49.5	174.5	-175.3	-161.4	68.5	0	0	111.4	L153 S154 V155 V159 F160 K161 L286 Y287 N290	L153-M157 PolarHBondContact O-N 3.31Å; S154-M157 WeakPolarHBondContact O-CB 3.31Å; S154-M157 PolarHBondContact O-N 3.29Å; V155-M157 VanDerWaalsContact C-N 3.31Å; V155-M157 PolarHBondContact O-N 3.25Å; M157-V159 VanDerWaalsContact C-N 3.3Å; M157-V159 PolarHBondContact O-N 2.97Å; M157-F160 PolarHBondContact O-N 2.85Å; M157-F160 VanDerWaalsContact O-N 3.14Å; M157-K161 WeakPolarHBondContact O-CB 3.05Å; M157-K161 PolarHBondContact O-N 3.48Å; M157-L286 HydrophobicContact CB-CB 3.78Å; M157-L286 HydrophobicContact CB-CD1 4.3Å; M157-L286 HydrophobicContact CG-CB 3.96Å; M157-Y287 HydrophobicContact SD-CD2 4.12Å; M157-N290 HydrophobicContact CE-CB 3.69Å; M157-N290 HydrophobicContact SD-CB 3.95Å
158	D	90.2	Very high	86.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-35.9	179.4	-73.8	-28.9	0	0	0	112.3	S154 V155 K161 I162 P184 Q187 I188	S154-D158 PolarHBondContact O-N 3.49Å; V155-D158 PolarHBondContact O-N 3.25Å; D158-K161 WeakPolarHBondContact O-CB 3.42Å; D158-K161 PolarHBondContact O-N 3.11Å; D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.48Å; D158-I162 PolarHBondContact O-N 2.89Å; D158-P184 HydrophobicContact CB-CB 4.24Å; D158-Q187 WeakPolarHBondContact OD2-CG 3.26Å; D158-I188 HydrophobicContact CB-CD1 3.72Å; D158-I188 HydrophobicContact CB-CG1 3.49Å; D158-I188 VanDerWaalsContact CB-CG1 3.49Å
159	V	91.1	Very high	85.9	Confident	74 Å²	74	33.5 Å²	33.5	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-44.3	173.2	170	0	0	0	0	111.1	V155 I156 M157 K161 I162 A163 I188	V155-V159 VanDerWaalsContact O-CG2 3.31Å; V155-V159 WeakPolarHBondContact O-CG2 3.46Å; V155-V159 PolarHBondContact O-N 2.97Å; I156-V159 PolarHBondContact O-N 3.47Å; M157-V159 VanDerWaalsContact C-N 3.3Å; M157-V159 PolarHBondContact O-N 2.97Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-I162 PolarHBondContact O-N 3.31Å; V159-A163 WeakPolarHBondContact O-CB 3.43Å; V159-A163 PolarHBondContact O-N 2.86Å; V159-I188 HydrophobicContact CG2-CD1 4.18Å
160	F	88.2	Confident	85	Confident	59 Å²	59	36.8 Å²	36.8	26%	0.259	20%	0.202	S	C	.	.	H	α-helix	trans	-66.6	-35.3	174.7	-65.5	-28.9	0	0	0	112.4	I156 M157 A163 S164 F279 A282 L286	I156-F160 HydrophobicContact CG2-CD2 4.03Å; I156-F160 HydrophobicContact CG2-CE2 3.49Å; I156-F160 VanDerWaalsContact CG2-CE2 3.49Å; I156-F160 HydrophobicContact CG2-CZ 3.8Å; I156-F160 PolarHBondContact O-N 3.34Å; M157-F160 PolarHBondContact O-N 2.85Å; M157-F160 VanDerWaalsContact O-N 3.14Å; F160-A163 PolarHBondContact O-N 3.35Å; F160-S164 WeakPolarHBondContact O-CB 3.35Å; F160-S164 PolarHBondContact O-N 3.06Å; F160-F279 AromaticContact CD1-CD1 3.75Å; F160-F279 HydrophobicContact CD1-CD1 3.75Å; F160-F279 HydrophobicContact CD1-CE1 4.05Å; F160-F279 HydrophobicContact CE1-CD1 4.32Å; F160-F279 HydrophobicContact CE1-CE1 4.31Å; F160-F279 HydrophobicContact CG-CD1 4.33Å; F160-A282 HydrophobicContact CD2-CB 3.63Å; F160-A282 HydrophobicContact CE2-CB 3.78Å; F160-A282 HydrophobicContact CG-CB 4.31Å; F160-L286 HydrophobicContact CD2-CD1 3.75Å; F160-L286 HydrophobicContact CE2-CD1 3.75Å
161	K	83.2	Confident	83.9	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-46.6	174	-166.5	169.2	-175.5	170.3	0	110.8	M157 D158 V159 S164 Y165 P184	M157-K161 WeakPolarHBondContact O-CB 3.05Å; M157-K161 PolarHBondContact O-N 3.48Å; D158-K161 WeakPolarHBondContact O-CB 3.42Å; D158-K161 PolarHBondContact O-N 3.11Å; V159-K161 VanDerWaalsContact C-N 3.33Å; K161-S164 PolarHBondContact O-N 3.33Å; K161-Y165 HydrophobicContact CD-CE2 4.26Å; K161-Y165 WeakPolarHBondContact CE-OH 3.42Å; K161-Y165 HydrophobicContact CG-CD2 4.26Å; K161-Y165 HydrophobicContact CG-CE2 3.53Å; K161-Y165 VanDerWaalsContact O-CD2 3.3Å; K161-Y165 WeakPolarHBondContact O-CD2 3.1Å; K161-Y165 VanDerWaalsContact O-CG 3.24Å; K161-Y165 PolarHBondContact O-N 3.38Å; K161-P184 HydrophobicContact CD-CB 4.47Å
162	I	84.8	Confident	82.1	Confident	47 Å²	47	43.4 Å²	43.4	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-45.9	174.2	-67.7	162.3	0	0	0	111.3	D158 V159 S164 Y165 A166 P184 V185 I188	D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.48Å; D158-I162 PolarHBondContact O-N 2.89Å; V159-I162 PolarHBondContact O-N 3.31Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.93Å; I162-Y165 PolarHBondContact O-N 3.49Å; I162-Y165 VanDerWaalsContact O-N 3.14Å; I162-A166 PolarHBondContact O-N 3.47Å; I162-P184 HydrophobicContact CD1-CB 4.19Å; I162-P184 HydrophobicContact CD1-CG 4.31Å; I162-P184 HydrophobicContact CG1-CB 3.84Å; I162-P184 HydrophobicContact CG1-CG 3.59Å; I162-V185 HydrophobicContact CD1-CG2 3.75Å; I162-V185 HydrophobicContact CG1-CG2 4.31Å; I162-I188 HydrophobicContact CD1-CD1 3.72Å
163	A	83.6	Confident	80.3	Confident	33 Å²	33	45.1 Å²	45.1	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-40.7	179	0	0	0	0	0	111.8	V159 F160 A166 F279	V159-A163 WeakPolarHBondContact O-CB 3.43Å; V159-A163 PolarHBondContact O-N 2.86Å; F160-A163 PolarHBondContact O-N 3.35Å; A163-A166 PolarHBondContact O-N 3.44Å; A163-F279 HydrophobicContact CB-CD1 4.31Å; A163-F279 HydrophobicContact CB-CD2 4.25Å; A163-F279 HydrophobicContact CB-CE1 4.36Å; A163-F279 HydrophobicContact CB-CE2 4.3Å; A163-F279 HydrophobicContact CB-CG 4.27Å; A163-F279 HydrophobicContact CB-CZ 4.36Å
164	S	76.8	Confident	79.1	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-45.7	172.5	-177.3	0	0	0	0	110.9	F160 K161 I162 A166 G167 Y168	F160-S164 WeakPolarHBondContact O-CB 3.35Å; F160-S164 PolarHBondContact O-N 3.06Å; K161-S164 PolarHBondContact O-N 3.33Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.93Å; S164-A166 PolarHBondContact O-N 2.88Å; S164-G167 PolarHBondContact O-N 3.39Å; S164-Y168 WeakPolarHBondContact O-CD2 3.47Å
165	Y	75	Confident	77.7	Confident	17 Å²	17	50.1 Å²	50.1	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-37.1	179.2	-65.5	-30.1	0	0	0	114	K161 I162 G167 Y168 L169 K180 P184 Y264	K161-Y165 HydrophobicContact CD-CE2 4.26Å; K161-Y165 WeakPolarHBondContact CE-OH 3.42Å; K161-Y165 HydrophobicContact CG-CD2 4.26Å; K161-Y165 HydrophobicContact CG-CE2 3.53Å; K161-Y165 VanDerWaalsContact O-CD2 3.3Å; K161-Y165 WeakPolarHBondContact O-CD2 3.1Å; K161-Y165 VanDerWaalsContact O-CG 3.24Å; K161-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 PolarHBondContact O-N 3.49Å; I162-Y165 VanDerWaalsContact O-N 3.14Å; Y165-G167 PolarHBondContact O-N 2.86Å; Y165-Y168 PolarHBondContact O-N 3.4Å; Y165-L169 PolarHBondContact O-N 3.05Å; Y165-K180 VanDerWaalsContact CE2-O 3.27Å; Y165-K180 WeakPolarHBondContact CE2-O 3.47Å; Y165-P184 HydrophobicContact CD2-CG 4.25Å; Y165-P184 HydrophobicContact CE2-CG 4.1Å; Y165-Y264 AromaticContact CE1-CD2 3.66Å; Y165-Y264 HydrophobicContact CE1-CD2 3.66Å; Y165-Y264 HydrophobicContact CE1-CE2 4.35Å; Y165-Y264 HydrophobicContact CE1-CG 4.07Å; Y165-Y264 WeakPolarHBondContact OH-CE2 3.46Å
166	A	78.1	Confident	76.3	Confident	47 Å²	47	50.6 Å²	50.6	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-34.8	175.9	0	0	0	0	0	111.9	I162 A163 S164 Y168 L169	I162-A166 PolarHBondContact O-N 3.47Å; A163-A166 PolarHBondContact O-N 3.44Å; S164-A166 PolarHBondContact O-N 2.88Å; A166-Y168 VanDerWaalsContact C-N 3.26Å; A166-Y168 PolarHBondContact O-N 2.89Å; A166-L169 HydrophobicContact CB-CD1 4.42Å
167	G	75.4	Confident	75	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.01	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.8	177.1	0	0	0	0	0	115.3	S164 Y165 S272	S164-G167 PolarHBondContact O-N 3.39Å; Y165-G167 PolarHBondContact O-N 2.86Å; G167-S272 WeakPolarHBondContact O-CB 3.28Å; G167-S272 PolarHBondContact O-N 3.34Å
168	Y	74.3	Confident	74.3	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.075	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	3.1	-177.8	-67.2	-74.6	0	0	0	113.9	S164 Y165 A166 H170 C171 C271 K280	S164-Y168 WeakPolarHBondContact O-CD2 3.47Å; Y165-Y168 PolarHBondContact O-N 3.4Å; A166-Y168 VanDerWaalsContact C-N 3.26Å; A166-Y168 PolarHBondContact O-N 2.89Å; Y168-H170 PolarHBondContact O-N 3.23Å; Y168-C171 VanDerWaalsContact O-CB 3.27Å; Y168-C171 WeakPolarHBondContact O-CB 3.31Å; Y168-C171 PolarHBondContact O-N 2.98Å; Y168-C171 PolarHBondContact O-SG 3.47Å; Y168-C271 HydrophobicContact CE1-CB 3.93Å; Y168-C271 HydrophobicContact CE2-CB 4.45Å; Y168-C271 VanDerWaalsContact CZ-SG 3.57Å; Y168-K280 WeakPolarHBondContact OH-CE 3.33Å; Y168-K280 PolarHBondContact OH-NZ 3.37Å
169	L	70.9	Confident	73.5	Confident	86 Å²	86	57.1 Å²	57.1	45%	0.45	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.2	-179.5	-74.8	171.1	0	0	0	113.8	Y165 A166 C171 V181	Y165-L169 PolarHBondContact O-N 3.05Å; A166-L169 HydrophobicContact CB-CD1 4.42Å; L169-C171 VanDerWaalsContact C-N 3.3Å; L169-V181 HydrophobicContact CD2-CG2 4.01Å
170	H	71.1	Confident	72.6	Confident	154 Å²	154	55.6 Å²	55.6	71%	0.713	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.8	178.5	-58.3	-54.2	0	0	0	113.9	Y168	Y168-H170 PolarHBondContact O-N 3.23Å
171	C	69	Low	72.1	Confident	40 Å²	40	54.9 Å²	54.9	27%	0.27	31%	0.312	S	S	.	.	S	Bend	trans	-84.6	-25.6	-170.3	-58.9	0	0	0	0	114.2	Y168 L169 C269	Y168-C171 VanDerWaalsContact O-CB 3.27Å; Y168-C171 WeakPolarHBondContact O-CB 3.31Å; Y168-C171 PolarHBondContact O-N 2.98Å; Y168-C171 PolarHBondContact O-SG 3.47Å; L169-C171 VanDerWaalsContact C-N 3.3Å; C171-C269 HydrophobicContact CB-CB 3.73Å; C171-C269 WeakPolarHBondContact CB-SG 3.43Å; C171-C269 WeakPolarHBondContact SG-CB 3.42Å; C171-C269 CovalentContact SG-SG 2.01Å; C171-C269 PolarHBondContact SG-SG 3.22Å
172	D	57.1	Low	72.2	Confident	103 Å²	103	56.2 Å²	56.2	55%	0.551	33%	0.326	S	S	*	.			trans	-166.8	121.7	175.9	-152.8	-24.2	0	0	0	112.2	G174 I177	D172-G174 VanDerWaalsContact C-N 3.31Å; D172-G174 PolarHBondContact O-N 3.05Å; D172-I177 VanDerWaalsContact O-CG2 3.24Å; D172-I177 WeakPolarHBondContact O-CG2 3.27Å
173	P	57.1	Low	72.3	Confident	115 Å²	115	54.2 Å²	54.2	75%	0.747	32%	0.316	S	S	*	.			trans	-86.5	16.2	-179.5	33.6	-34.3	0	0	0	115
174	G	65.1	Low	72.6	Confident	32 Å²	32	52.7 Å²	52.7	33%	0.33	30%	0.303	S	S	.	.	S	Bend	trans	-68.5	172.9	-176.2	0	0	0	0	0	116.5	D172 S176 I177	D172-G174 VanDerWaalsContact C-N 3.31Å; D172-G174 PolarHBondContact O-N 3.05Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 2.9Å; G174-I177 WeakPolarHBondContact O-CG2 3.47Å; G174-I177 PolarHBondContact O-N 3.31Å
175	V	64.4	Low	73.4	Confident	111 Å²	111	55.7 Å²	55.7	67%	0.673	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-34.2	178	174.8	0	0	0	0	112.2	I177 K178 V179	V175-I177 VanDerWaalsContact C-N 3.34Å; V175-I177 PolarHBondContact O-N 3.11Å; V175-K178 PolarHBondContact O-N 2.69Å; V175-V179 PolarHBondContact O-N 3.19Å
176	S	64	Low	74.2	Confident	40 Å²	40	56.8 Å²	56.8	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-37.7	179.7	-174.5	0	0	0	0	112.6	T101 G174 V179 K180	T101-S176 PolarHBondContact OG1-OG 3.08Å; T101-S176 VanDerWaalsContact OG1-OG 3.13Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 2.9Å; S176-V179 PolarHBondContact O-N 3.41Å; S176-K180 WeakPolarHBondContact O-CB 3.29Å; S176-K180 VanDerWaalsContact O-CG 3.27Å; S176-K180 WeakPolarHBondContact O-CG 3.37Å; S176-K180 PolarHBondContact O-N 2.99Å; S176-K180 WeakPolarHBondContact OG-CE 3.41Å; S176-K180 PolarHBondContact OG-NZ 3.39Å; S176-K180 VanDerWaalsContact OG-NZ 3.16Å
177	I	67.4	Low	75	Confident	37 Å²	37	54.6 Å²	54.6	19%	0.19	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-35.1	178.9	-153.9	156.1	0	0	0	111.9	D172 G174 V175 V179 K180 V181	D172-I177 VanDerWaalsContact O-CG2 3.24Å; D172-I177 WeakPolarHBondContact O-CG2 3.27Å; G174-I177 WeakPolarHBondContact O-CG2 3.47Å; G174-I177 PolarHBondContact O-N 3.31Å; V175-I177 VanDerWaalsContact C-N 3.34Å; V175-I177 PolarHBondContact O-N 3.11Å; I177-V179 VanDerWaalsContact C-N 3.35Å; I177-V179 PolarHBondContact O-N 3.38Å; I177-K180 PolarHBondContact O-N 3.46Å; I177-V181 VanDerWaalsContact O-CG2 3.3Å; I177-V181 WeakPolarHBondContact O-CG2 3.17Å; I177-V181 PolarHBondContact O-N 3.14Å
178	K	73.3	Confident	76	Confident	145 Å²	145	55.9 Å²	55.9	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-64.6	-41.3	177.8	-64.8	-179.2	-176.8	176.9	0	111.2	V175 V181 A182	V175-K178 PolarHBondContact O-N 2.69Å; K178-V181 PolarHBondContact O-N 2.88Å; K178-A182 VanDerWaalsContact O-CB 3.23Å; K178-A182 WeakPolarHBondContact O-CB 3.47Å; K178-A182 PolarHBondContact O-N 2.93Å
179	V	73.6	Confident	77	Confident	20 Å²	20	58.9 Å²	58.9	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-45.5	174.7	177.9	0	0	0	0	110.5	T101 Q104 I105 L108 V175 S176 I177 V181 A182 F183	T101-V179 HydrophobicContact CG2-CB 4.01Å; T101-V179 HydrophobicContact CG2-CG1 4.02Å; T101-V179 HydrophobicContact CG2-CG2 4.03Å; Q104-V179 HydrophobicContact CB-CG1 4.01Å; I105-V179 HydrophobicContact CG1-CG1 4.16Å; I105-V179 HydrophobicContact CG1-CG2 4.46Å; L108-V179 HydrophobicContact CD1-CG1 4.32Å; V175-V179 PolarHBondContact O-N 3.19Å; S176-V179 PolarHBondContact O-N 3.41Å; I177-V179 VanDerWaalsContact C-N 3.35Å; I177-V179 PolarHBondContact O-N 3.38Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.29Å; V179-A182 PolarHBondContact O-N 3.36Å; V179-F183 WeakPolarHBondContact O-CB 3.37Å; V179-F183 PolarHBondContact O-N 2.91Å
180	K	72.8	Confident	78.2	Confident	43 Å²	43	54.9 Å²	54.9	19%	0.187	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-33.3	178.2	-74	168.8	177.4	162.2	0	113.8	Y165 S176 I177 P184 Y264	Y165-K180 VanDerWaalsContact CE2-O 3.27Å; Y165-K180 WeakPolarHBondContact CE2-O 3.47Å; S176-K180 WeakPolarHBondContact O-CB 3.29Å; S176-K180 VanDerWaalsContact O-CG 3.27Å; S176-K180 WeakPolarHBondContact O-CG 3.37Å; S176-K180 PolarHBondContact O-N 2.99Å; S176-K180 WeakPolarHBondContact OG-CE 3.41Å; S176-K180 PolarHBondContact OG-NZ 3.39Å; S176-K180 VanDerWaalsContact OG-NZ 3.16Å; I177-K180 PolarHBondContact O-N 3.46Å; K180-P184 WeakPolarHBondContact O-CD 3.48Å; K180-Y264 HydrophobicContact CD-CD1 3.85Å; K180-Y264 HydrophobicContact CD-CE1 4.13Å
181	V	77.6	Confident	79.4	Confident	43 Å²	43	47.6 Å²	47.6	26%	0.261	28%	0.282	S	S	.	.	H	α-helix	trans	-79.8	-39.8	175.2	174	0	0	0	0	111.7	L169 I177 K178 V179 F183 P184 V185	L169-V181 HydrophobicContact CD2-CG2 4.01Å; I177-V181 VanDerWaalsContact O-CG2 3.3Å; I177-V181 WeakPolarHBondContact O-CG2 3.17Å; I177-V181 PolarHBondContact O-N 3.14Å; K178-V181 PolarHBondContact O-N 2.88Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.29Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 2.82Å; V181-P184 WeakPolarHBondContact O-CD 3.36Å; V181-P184 WeakPolarHBondContact O-CG 3.47Å; V181-V185 WeakPolarHBondContact O-CG2 3.36Å
182	A	84.3	Confident	80.7	Confident	42 Å²	42	50.5 Å²	50.5	35%	0.347	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-33.6	178.7	0	0	0	0	0	112.3	K178 V179 V185 V186	K178-A182 VanDerWaalsContact O-CB 3.23Å; K178-A182 WeakPolarHBondContact O-CB 3.47Å; K178-A182 PolarHBondContact O-N 2.93Å; V179-A182 PolarHBondContact O-N 3.36Å; A182-V185 PolarHBondContact O-N 2.76Å; A182-V186 WeakPolarHBondContact O-CG2 3.37Å; A182-V186 PolarHBondContact O-N 2.95Å
183	F	88.3	Confident	82.6	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-54.1	-60.7	-177	-174.5	-88.3	0	0	0	114	Q104 I107 L108 F111 V179 V181 V185 V186 Q187	Q104-F183 HydrophobicContact CB-CD2 3.79Å; Q104-F183 HydrophobicContact CB-CE2 4.15Å; Q104-F183 HydrophobicContact CG-CD2 3.87Å; Q104-F183 HydrophobicContact CG-CE2 4.06Å; Q104-F183 HydrophobicContact CG-CG 4.37Å; I107-F183 HydrophobicContact CB-CE2 3.94Å; I107-F183 HydrophobicContact CD1-CE2 4.47Å; I107-F183 HydrophobicContact CG2-CE2 3.72Å; I107-F183 HydrophobicContact CG2-CZ 3.94Å; L108-F183 HydrophobicContact CD1-CD2 4.23Å; L108-F183 HydrophobicContact CD2-CD2 4.1Å; L108-F183 HydrophobicContact CG-CD2 3.86Å; L108-F183 HydrophobicContact CG-CE2 4.49Å; F111-F183 HydrophobicContact CE2-CE2 4.37Å; F111-F183 HydrophobicContact CE2-CZ 4.27Å; V179-F183 WeakPolarHBondContact O-CB 3.37Å; V179-F183 PolarHBondContact O-N 2.91Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 2.82Å; F183-V185 PolarHBondContact O-N 3.44Å; F183-V186 PolarHBondContact O-N 2.91Å; F183-Q187 WeakPolarHBondContact O-CB 3.43Å; F183-Q187 PolarHBondContact O-N 2.86Å
184	P	90.1	Very high	84.5	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-29.2	179.9	26.6	-36.2	0	0	0	112.5	D158 K161 I162 Y165 K180 V181 Q187 I188	D158-P184 HydrophobicContact CB-CB 4.24Å; K161-P184 HydrophobicContact CD-CB 4.47Å; I162-P184 HydrophobicContact CD1-CB 4.19Å; I162-P184 HydrophobicContact CD1-CG 4.31Å; I162-P184 HydrophobicContact CG1-CB 3.84Å; I162-P184 HydrophobicContact CG1-CG 3.59Å; Y165-P184 HydrophobicContact CD2-CG 4.25Å; Y165-P184 HydrophobicContact CE2-CG 4.1Å; K180-P184 WeakPolarHBondContact O-CD 3.48Å; V181-P184 WeakPolarHBondContact O-CD 3.36Å; V181-P184 WeakPolarHBondContact O-CG 3.47Å; P184-Q187 PolarHBondContact O-N 3.42Å; P184-I188 VanDerWaalsContact O-CG1 3.3Å; P184-I188 WeakPolarHBondContact O-CG1 3.34Å; P184-I188 PolarHBondContact O-N 3.29Å
185	V	91.6	Very high	86	Confident	70 Å²	70	41.1 Å²	41.1	42%	0.424	23%	0.233	S	C	.	.	H	α-helix	trans	-66.2	-46.5	176.5	176.4	0	0	0	0	111.1	I162 V181 A182 F183 Q187 I188 V189	I162-V185 HydrophobicContact CD1-CG2 3.75Å; I162-V185 HydrophobicContact CG1-CG2 4.31Å; V181-V185 WeakPolarHBondContact O-CG2 3.36Å; A182-V185 PolarHBondContact O-N 2.76Å; F183-V185 PolarHBondContact O-N 3.44Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-I188 PolarHBondContact O-N 3.4Å; V185-V189 PolarHBondContact O-N 2.84Å
186	V	93.5	Very high	87.4	Confident	40 Å²	40	42.1 Å²	42.1	24%	0.242	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-35.1	177	177.8	0	0	0	0	110.8	L108 F111 A182 F183 V189 F190	L108-V186 HydrophobicContact CD2-CB 3.46Å; L108-V186 VanDerWaalsContact CD2-CB 3.46Å; L108-V186 HydrophobicContact CD2-CG1 3.67Å; L108-V186 HydrophobicContact CD2-CG2 3.84Å; F111-V186 HydrophobicContact CB-CG1 4.11Å; F111-V186 HydrophobicContact CD2-CG1 4.17Å; A182-V186 WeakPolarHBondContact O-CG2 3.37Å; A182-V186 PolarHBondContact O-N 2.95Å; F183-V186 PolarHBondContact O-N 2.91Å; V186-V189 PolarHBondContact O-N 3.2Å; V186-F190 WeakPolarHBondContact O-CB 3.43Å; V186-F190 PolarHBondContact O-N 3.22Å
187	Q	94.1	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-44.9	174.4	-174.5	174	-19.7	0	0	112.1	F111 D158 F183 P184 V185 V189 F190 I191 N290	F111-Q187 HydrophobicContact CE2-CB 3.83Å; F111-Q187 HydrophobicContact CE2-CG 4.08Å; F111-Q187 HydrophobicContact CZ-CB 4.4Å; F111-Q187 HydrophobicContact CZ-CG 4.14Å; D158-Q187 WeakPolarHBondContact OD2-CG 3.26Å; F183-Q187 WeakPolarHBondContact O-CB 3.43Å; F183-Q187 PolarHBondContact O-N 2.86Å; P184-Q187 PolarHBondContact O-N 3.42Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; Q187-V189 VanDerWaalsContact C-N 3.32Å; Q187-V189 PolarHBondContact O-N 3.23Å; Q187-F190 WeakPolarHBondContact O-CB 3.46Å; Q187-F190 PolarHBondContact O-N 3.48Å; Q187-F190 VanDerWaalsContact O-N 3.16Å; Q187-I191 HydrophobicContact CG-CD1 3.83Å; Q187-I191 HydrophobicContact CG-CG1 4.34Å; Q187-I191 WeakPolarHBondContact O-CG1 3.36Å; Q187-I191 PolarHBondContact O-N 3Å; Q187-N290 PolarHBondContact NE2-ND2 3.27Å; Q187-N290 VanDerWaalsContact NE2-ND2 3.19Å; Q187-N290 PolarHBondContact NE2-OD1 2.99Å
188	I	95.6	Very high	90	Very high	29 Å²	29	38.5 Å²	38.5	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-48	174	-72.1	166.8	0	0	0	110.7	V155 D158 V159 I162 P184 V185 F190 I191 L192	V155-I188 HydrophobicContact CG1-CG1 4.44Å; V155-I188 HydrophobicContact CG1-CG2 4.28Å; V155-I188 HydrophobicContact CG2-CG2 4.5Å; D158-I188 HydrophobicContact CB-CD1 3.72Å; D158-I188 HydrophobicContact CB-CG1 3.49Å; D158-I188 VanDerWaalsContact CB-CG1 3.49Å; V159-I188 HydrophobicContact CG2-CD1 4.18Å; I162-I188 HydrophobicContact CD1-CD1 3.72Å; P184-I188 VanDerWaalsContact O-CG1 3.3Å; P184-I188 WeakPolarHBondContact O-CG1 3.34Å; P184-I188 PolarHBondContact O-N 3.29Å; V185-I188 PolarHBondContact O-N 3.4Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 2.9Å; I188-I191 PolarHBondContact O-N 2.9Å; I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.41Å; I188-L192 WeakPolarHBondContact O-CB 3.42Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.35Å
189	V	96.3	Very high	90.9	Very high	82 Å²	82	36.8 Å²	36.8	50%	0.497	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-44.8	178.9	175.9	0	0	0	0	110.7	V185 V186 Q187 L192 V193	V185-V189 PolarHBondContact O-N 2.84Å; V186-V189 PolarHBondContact O-N 3.2Å; Q187-V189 VanDerWaalsContact C-N 3.32Å; Q187-V189 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 3Å; V189-V193 HydrophobicContact CG1-CG2 4.39Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.26Å; V189-V193 PolarHBondContact O-N 3.41Å
190	F	97.1	Very high	91.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-49.5	177.1	168.7	-104.5	0	0	0	112.2	F111 T114 M118 V186 Q187 I188 L192 V193 Q194 T223	F111-F190 HydrophobicContact CB-CB 4.13Å; F111-F190 HydrophobicContact CB-CD2 4.25Å; F111-F190 HydrophobicContact CB-CG 4.21Å; F111-F190 HydrophobicContact CD1-CB 4.18Å; F111-F190 AromaticContact CD1-CD1 3.55Å; F111-F190 HydrophobicContact CD1-CD1 3.55Å; F111-F190 AromaticContact CD1-CD2 3.87Å; F111-F190 HydrophobicContact CD1-CD2 3.87Å; F111-F190 AromaticContact CD1-CE1 3.8Å; F111-F190 HydrophobicContact CD1-CE1 3.8Å; F111-F190 HydrophobicContact CD1-CE2 4.11Å; F111-F190 AromaticContact CD1-CG 3.58Å; F111-F190 HydrophobicContact CD1-CG 3.58Å; F111-F190 HydrophobicContact CD1-CZ 4.06Å; F111-F190 HydrophobicContact CD2-CB 4.45Å; F111-F190 AromaticContact CE1-CD1 3.54Å; F111-F190 HydrophobicContact CE1-CD1 3.54Å; F111-F190 AromaticContact CE1-CE1 3.65Å; F111-F190 HydrophobicContact CE1-CE1 3.65Å; F111-F190 HydrophobicContact CE1-CG 4.07Å; F111-F190 HydrophobicContact CE1-CZ 4.25Å; F111-F190 HydrophobicContact CG-CB 4.03Å; F111-F190 HydrophobicContact CG-CD1 4.24Å; F111-F190 HydrophobicContact CG-CD2 4.31Å; F111-F190 AromaticContact CG-CG 3.93Å; F111-F190 HydrophobicContact CG-CG 3.93Å; F111-F190 HydrophobicContact CZ-CD1 4.2Å; T114-F190 WeakPolarHBondContact OG1-CE2 3.15Å; M118-F190 HydrophobicContact CE-CD2 4.09Å; M118-F190 HydrophobicContact CE-CE2 3.86Å; V186-F190 WeakPolarHBondContact O-CB 3.43Å; V186-F190 PolarHBondContact O-N 3.22Å; Q187-F190 WeakPolarHBondContact O-CB 3.46Å; Q187-F190 PolarHBondContact O-N 3.48Å; Q187-F190 VanDerWaalsContact O-N 3.16Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 2.9Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 2.95Å; F190-V193 PolarHBondContact O-N 3.05Å; F190-Q194 HydrophobicContact CE2-CB 4.49Å; F190-Q194 VanDerWaalsContact CZ-NE2 3.25Å; F190-Q194 WeakPolarHBondContact O-CB 3.45Å; F190-Q194 PolarHBondContact O-N 3.24Å; F190-T223 HydrophobicContact CE2-CG2 4.35Å; F190-T223 HydrophobicContact CZ-CG2 3.99Å
191	I	96.3	Very high	92.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-43.5	179.2	-69	170.3	0	0	0	110.5	V155 Q187 I188 Q194 T195 Y293	V155-I191 HydrophobicContact CG2-CB 4.39Å; V155-I191 HydrophobicContact CG2-CG2 3.91Å; Q187-I191 HydrophobicContact CG-CD1 3.83Å; Q187-I191 HydrophobicContact CG-CG1 4.34Å; Q187-I191 WeakPolarHBondContact O-CG1 3.36Å; Q187-I191 PolarHBondContact O-N 3Å; I188-I191 PolarHBondContact O-N 2.9Å; I191-Q194 PolarHBondContact O-N 2.83Å; I191-T195 WeakPolarHBondContact O-CB 3.38Å; I191-T195 PolarHBondContact O-N 3.15Å; I191-T195 PolarHBondContact O-OG1 3.32Å; I191-Y293 HydrophobicContact CB-CE1 4.46Å; I191-Y293 HydrophobicContact CG1-CD1 4.48Å; I191-Y293 HydrophobicContact CG1-CE1 3.95Å; I191-Y293 HydrophobicContact CG2-CE1 4.17Å; I191-Y293 HydrophobicContact CG2-CE2 4.19Å; I191-Y293 PolarHBondContact O-OH 3.4Å
192	L	96.2	Very high	92.6	Very high	102 Å²	102	35.7 Å²	35.7	53%	0.534	19%	0.186	S	C	.	.	H	α-helix	trans	-63.4	-47.8	178.1	-70.3	174.1	0	0	0	112	V155 I188 V189 F190 Y196	V155-L192 HydrophobicContact CG2-CD2 4.42Å; I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.41Å; I188-L192 WeakPolarHBondContact O-CB 3.42Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.35Å; V189-L192 PolarHBondContact O-N 3Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 2.95Å; L192-Y196 VanDerWaalsContact O-CB 3.3Å; L192-Y196 WeakPolarHBondContact O-CB 3.49Å; L192-Y196 PolarHBondContact O-N 3.18Å
193	V	96.6	Very high	92.4	Very high	38 Å²	38	37.2 Å²	37.2	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-44.5	178.4	172.5	0	0	0	0	110.8	M118 V119 V189 F190 F197	M118-V193 HydrophobicContact CB-CG1 4.15Å; M118-V193 HydrophobicContact CE-CG1 4.05Å; V119-V193 HydrophobicContact CG2-CG1 4.11Å; V189-V193 HydrophobicContact CG1-CG2 4.39Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.26Å; V189-V193 PolarHBondContact O-N 3.41Å; F190-V193 PolarHBondContact O-N 3.05Å; V193-F197 VanDerWaalsContact O-CB 3.31Å; V193-F197 WeakPolarHBondContact O-CB 3.4Å; V193-F197 PolarHBondContact O-N 3.32Å
194	Q	97.1	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-45	-178.9	-174.4	-176.8	55	0	0	112.4	M118 F190 I191 Y196 F197 L198 N224 Y293	M118-Q194 HydrophobicContact CE-CB 3.9Å; M118-Q194 HydrophobicContact CE-CG 4.38Å; M118-Q194 HydrophobicContact SD-CB 3.94Å; M118-Q194 HydrophobicContact SD-CG 3.99Å; F190-Q194 HydrophobicContact CE2-CB 4.49Å; F190-Q194 VanDerWaalsContact CZ-NE2 3.25Å; F190-Q194 WeakPolarHBondContact O-CB 3.45Å; F190-Q194 PolarHBondContact O-N 3.24Å; I191-Q194 PolarHBondContact O-N 2.83Å; Q194-Y196 VanDerWaalsContact C-N 3.31Å; Q194-Y196 PolarHBondContact O-N 3.46Å; Q194-F197 PolarHBondContact O-N 3.01Å; Q194-L198 HydrophobicContact CG-CD1 3.92Å; Q194-L198 HydrophobicContact CG-CG 4.3Å; Q194-L198 WeakPolarHBondContact O-CB 3.5Å; Q194-L198 WeakPolarHBondContact O-CG 3.31Å; Q194-L198 PolarHBondContact O-N 2.98Å; Q194-N224 VanDerWaalsContact NE2-CG 3.26Å; Q194-N224 PolarHBondContact NE2-ND2 3.37Å; Q194-N224 PolarHBondContact NE2-OD1 3.39Å; Q194-N224 PolarHBondContact OE1-OD1 3.12Å; Q194-Y293 VanDerWaalsContact OE1-CZ 3.31Å; Q194-Y293 PolarHBondContact OE1-OH 3.39Å
195	T	95.4	Very high	91.4	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-45.5	177.3	-61.9	0	0	0	0	110.1	L147 L148 I191 W199 Y293	L147-T195 HydrophobicContact CD2-CG2 4.28Å; L147-T195 HydrophobicContact CG-CG2 4.35Å; L148-T195 HydrophobicContact CD1-CG2 4.17Å; I191-T195 WeakPolarHBondContact O-CB 3.38Å; I191-T195 PolarHBondContact O-N 3.15Å; I191-T195 PolarHBondContact O-OG1 3.32Å; T195-W199 WeakPolarHBondContact O-CB 3.46Å; T195-W199 PolarHBondContact O-N 3.38Å; T195-Y293 WeakPolarHBondContact OG1-CE2 3.43Å; T195-Y293 PolarHBondContact OG1-OH 3.44Å
196	Y	93.8	Very high	90.9	Very high	133 Å²	133	34.8 Å²	34.8	52%	0.522	17%	0.168	S	C	.	.	H	α-helix	trans	-59.2	-49.3	175.2	175	-92.4	0	0	0	112	T122 L192 Q194 W199 I200	T122-Y196 HydrophobicContact CG2-CE1 4.16Å; L192-Y196 VanDerWaalsContact O-CB 3.3Å; L192-Y196 WeakPolarHBondContact O-CB 3.49Å; L192-Y196 PolarHBondContact O-N 3.18Å; Q194-Y196 VanDerWaalsContact C-N 3.31Å; Q194-Y196 PolarHBondContact O-N 3.46Å; Y196-W199 PolarHBondContact O-N 3.04Å; Y196-I200 HydrophobicContact CD1-CD1 4.29Å; Y196-I200 HydrophobicContact CD2-CD1 3.91Å; Y196-I200 HydrophobicContact CE1-CD1 3.73Å; Y196-I200 HydrophobicContact CE2-CD1 3.3Å; Y196-I200 HydrophobicContact CE2-CG1 4.49Å; Y196-I200 HydrophobicContact CG-CD1 4.37Å; Y196-I200 PolarHBondContact O-N 3.2Å; Y196-I200 VanDerWaalsContact O-N 3.15Å; Y196-I200 WeakPolarHBondContact OH-CD1 3.26Å
197	F	94.6	Very high	90.1	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-53.8	179.6	169.6	-93.5	0	0	0	111.9	W117 M118 F121 V193 Q194 W199 I200 H201 L217 M304	W117-F197 HydrophobicContact CH2-CE1 4.45Å; W117-F197 HydrophobicContact CH2-CE2 4.26Å; W117-F197 AromaticContact CH2-CZ 3.68Å; W117-F197 HydrophobicContact CH2-CZ 3.68Å; W117-F197 HydrophobicContact CZ3-CE1 4.19Å; W117-F197 HydrophobicContact CZ3-CE2 4.19Å; W117-F197 AromaticContact CZ3-CZ 3.71Å; W117-F197 HydrophobicContact CZ3-CZ 3.71Å; M118-F197 HydrophobicContact CB-CB 4.3Å; M118-F197 HydrophobicContact CB-CD2 3.94Å; M118-F197 HydrophobicContact CB-CE2 4.46Å; M118-F197 HydrophobicContact CB-CG 4.09Å; M118-F197 HydrophobicContact CG-CB 4.36Å; M118-F197 HydrophobicContact CG-CD1 4.08Å; M118-F197 HydrophobicContact CG-CD2 4.05Å; M118-F197 HydrophobicContact CG-CE1 4.43Å; M118-F197 HydrophobicContact CG-CE2 4.33Å; M118-F197 HydrophobicContact CG-CG 3.9Å; M118-F197 HydrophobicContact SD-CB 4.05Å; M118-F197 HydrophobicContact SD-CD1 3.94Å; M118-F197 HydrophobicContact SD-CG 4Å; F121-F197 HydrophobicContact CB-CE2 4.05Å; F121-F197 HydrophobicContact CD1-CD2 4.22Å; F121-F197 AromaticContact CD1-CE2 3.32Å; F121-F197 HydrophobicContact CD1-CE2 3.32Å; F121-F197 HydrophobicContact CD1-CZ 4.09Å; F121-F197 AromaticContact CE1-CE2 3.82Å; F121-F197 HydrophobicContact CE1-CE2 3.82Å; F121-F197 HydrophobicContact CE1-CZ 4.24Å; F121-F197 AromaticContact CG-CE2 3.79Å; F121-F197 HydrophobicContact CG-CE2 3.79Å; F121-F197 HydrophobicContact CG-CZ 4.43Å; V193-F197 VanDerWaalsContact O-CB 3.31Å; V193-F197 WeakPolarHBondContact O-CB 3.4Å; V193-F197 PolarHBondContact O-N 3.32Å; Q194-F197 PolarHBondContact O-N 3.01Å; F197-W199 PolarHBondContact O-N 3.37Å; F197-I200 PolarHBondContact O-N 3.29Å; F197-H201 AromaticContact CD2-CD2 3.83Å; F197-H201 VanDerWaalsContact O-CB 3.31Å; F197-H201 WeakPolarHBondContact O-CB 3.46Å; F197-H201 PolarHBondContact O-N 2.91Å; F197-L217 HydrophobicContact CE1-CD2 4.2Å; F197-L217 HydrophobicContact CZ-CD2 4.21Å; F197-M304 HydrophobicContact CE1-CE 3.87Å; F197-M304 HydrophobicContact CE1-SD 4.29Å; F197-M304 HydrophobicContact CZ-CE 3.9Å
198	L	92.9	Very high	89.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-34.1	-177.9	-67.8	178.8	0	0	0	111.8	L147 Q194 S202 A297 M300 M304	L147-L198 HydrophobicContact CD1-CD1 4.3Å; L147-L198 HydrophobicContact CD2-CB 3.54Å; L147-L198 HydrophobicContact CD2-CD1 4.12Å; L147-L198 HydrophobicContact CD2-CG 4.46Å; Q194-L198 HydrophobicContact CG-CD1 3.92Å; Q194-L198 HydrophobicContact CG-CG 4.3Å; Q194-L198 WeakPolarHBondContact O-CB 3.5Å; Q194-L198 WeakPolarHBondContact O-CG 3.31Å; Q194-L198 PolarHBondContact O-N 2.98Å; L198-S202 WeakPolarHBondContact O-CB 3.25Å; L198-S202 PolarHBondContact O-N 2.7Å; L198-S202 VanDerWaalsContact O-N 3.13Å; L198-S202 PolarHBondContact O-OG 3.08Å; L198-A297 HydrophobicContact CD1-CB 3.85Å; L198-M300 HydrophobicContact CB-CE 4.41Å; L198-M300 HydrophobicContact CB-SD 4.08Å; L198-M300 HydrophobicContact CD1-CB 4.29Å; L198-M300 HydrophobicContact CD1-CE 3.9Å; L198-M300 HydrophobicContact CD1-SD 4.43Å; L198-M300 HydrophobicContact CD2-CB 4.06Å; L198-M304 HydrophobicContact CD2-SD 3.63Å
199	W	90.9	Very high	88.5	Confident	108 Å²	108	39.2 Å²	39.2	41%	0.409	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-47.9	176.4	178.5	-90.8	0	0	0	112.1	R144 L148 T195 Y196 F197	R144-W199 HydrophobicContact CB-CE3 3.75Å; R144-W199 HydrophobicContact CB-CH2 4.45Å; R144-W199 HydrophobicContact CB-CZ3 3.7Å; R144-W199 PolarHBondContact NH2-O 3.02Å; R144-W199 VanDerWaalsContact O-CZ3 3.3Å; R144-W199 WeakPolarHBondContact O-CZ3 3.4Å; L148-W199 HydrophobicContact CB-CE3 4.33Å; L148-W199 HydrophobicContact CB-CZ3 4.1Å; L148-W199 HydrophobicContact CD2-CH2 4.45Å; L148-W199 HydrophobicContact CD2-CZ3 4.18Å; T195-W199 WeakPolarHBondContact O-CB 3.46Å; T195-W199 PolarHBondContact O-N 3.38Å; Y196-W199 PolarHBondContact O-N 3.04Å; F197-W199 PolarHBondContact O-N 3.37Å
200	I	87.8	Confident	87.9	Confident	68 Å²	68	38.6 Å²	38.6	35%	0.349	18%	0.181	S	C	.	.	H	α-helix	trans	-77.6	-53.3	-176.9	-65.2	179.6	0	0	0	110.7	Y196 F197	Y196-I200 HydrophobicContact CD1-CD1 4.29Å; Y196-I200 HydrophobicContact CD2-CD1 3.91Å; Y196-I200 HydrophobicContact CE1-CD1 3.73Å; Y196-I200 HydrophobicContact CE2-CD1 3.3Å; Y196-I200 HydrophobicContact CE2-CG1 4.49Å; Y196-I200 HydrophobicContact CG-CD1 4.37Å; Y196-I200 PolarHBondContact O-N 3.2Å; Y196-I200 VanDerWaalsContact O-N 3.15Å; Y196-I200 WeakPolarHBondContact OH-CD1 3.26Å; F197-I200 PolarHBondContact O-N 3.29Å
201	H	88	Confident	87.5	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-91.3	-1.6	-166.1	-62.5	-65.9	0	0	0	114.4	F121 T122 F197 R203 D204 M304	F121-H201 HydrophobicContact CE1-CB 4.13Å; F121-H201 AromaticContact CE1-CG 3.93Å; T122-H201 PolarHBondContact OG1-NE2 2.98Å; F197-H201 AromaticContact CD2-CD2 3.83Å; F197-H201 VanDerWaalsContact O-CB 3.31Å; F197-H201 WeakPolarHBondContact O-CB 3.46Å; F197-H201 PolarHBondContact O-N 2.91Å; H201-R203 PolarHBondContact O-N 3.36Å; H201-D204 HydrophobicContact CB-CB 4.5Å; H201-D204 IonicContact CE1-OD2 3.43Å; H201-D204 IonicContact CG-OD2 2.85Å; H201-D204 IonicContact ND1-OD2 3.22Å; H201-D204 PolarHBondContact ND1-OD2 3.17Å; H201-D204 WeakPolarHBondContact O-CB 3.33Å; H201-D204 PolarHBondContact O-N 3.22Å; H201-M304 HydrophobicContact CB-CE 4.03Å; H201-M304 VanDerWaalsContact O-CE 3.24Å; H201-M304 WeakPolarHBondContact O-CE 3.38Å
202	S	84.3	Confident	87.1	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.5	179.6	45.2	0	0	0	0	115.7	A138 R144 L198	A138-S202 WeakPolarHBondContact CB-O 3.38Å; R144-S202 VanDerWaalsContact CZ-OG 3.24Å; R144-S202 PolarHBondContact NE-OG 2.96Å; R144-S202 PolarHBondContact NH2-OG 3.39Å; L198-S202 WeakPolarHBondContact O-CB 3.25Å; L198-S202 PolarHBondContact O-N 2.7Å; L198-S202 VanDerWaalsContact O-N 3.13Å; L198-S202 PolarHBondContact O-OG 3.08Å
203	R	80.1	Confident	86.8	Confident	73 Å²	73	41.1 Å²	41.1	28%	0.275	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.5	174.8	-81	172.5	-169.9	-175.8	4	113.7	K134 D135 A138 R144 H201 C205	K134-R203 CarbonylContact C-O 3.5Å; K134-R203 VanDerWaalsContact CA-O 3.27Å; K134-R203 WeakPolarHBondContact CA-O 3.25Å; K134-R203 HydrophobicContact CB-CB 4.42Å; K134-R203 HydrophobicContact CG-CB 4.49Å; D135-R203 PolarHBondContact N-O 2.94Å; D135-R203 WeakPolarHBondContact O-CG 3.5Å; A138-R203 WeakPolarHBondContact O-CG 3.44Å; R144-R203 VanDerWaalsContact NH2-CD 3.34Å; H201-R203 PolarHBondContact O-N 3.36Å; R203-C205 PolarHBondContact O-N 3.39Å
204	D	80.4	Confident	86.6	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.2	-167.6	-70.2	-3.5	0	0	0	111.3	V132 H201	V132-D204 HydrophobicContact CG1-CB 3.48Å; V132-D204 VanDerWaalsContact CG1-CB 3.48Å; H201-D204 HydrophobicContact CB-CB 4.5Å; H201-D204 IonicContact CE1-OD2 3.43Å; H201-D204 IonicContact CG-OD2 2.85Å; H201-D204 IonicContact ND1-OD2 3.22Å; H201-D204 PolarHBondContact ND1-OD2 3.17Å; H201-D204 WeakPolarHBondContact O-CB 3.33Å; H201-D204 PolarHBondContact O-N 3.22Å
205	C	77.9	Confident	86.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	99.1	169.9	-74.7	0	0	0	0	109.6	F133 D135 R203 Q207	F133-C205 HydrophobicContact CB-CB 4.28Å; F133-C205 WeakPolarHBondContact O-CA 3.35Å; F133-C205 VanDerWaalsContact O-CB 3.29Å; F133-C205 WeakPolarHBondContact O-CB 3.37Å; F133-C205 PolarHBondContact O-N 3.12Å; D135-C205 WeakPolarHBondContact CB-SG 3.22Å; R203-C205 PolarHBondContact O-N 3.39Å; C205-Q207 PolarHBondContact O-N 3.46Å
206	V	79.4	Confident	86.4	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.6	-177.4	-174.2	0	0	0	0	110.9	F121 V308 G309	F121-V206 HydrophobicContact CE2-CG2 3.63Å; F121-V206 HydrophobicContact CZ-CG2 3.45Å; F121-V206 VanDerWaalsContact CZ-CG2 3.45Å; V206-V308 HydrophobicContact CB-CG1 4.36Å; V206-G309 PolarHBondContact O-N 3.3Å
207	Q	76.7	Confident	86.4	Confident	38 Å²	38	34 Å²	34	18%	0.178	17%	0.165	C	C	.	.			trans	-105.6	-22.8	178.5	-69.9	-64.2	-17.1	0	0	114.6	F133 C205 K210 G309 R310	F133-Q207 HydrophobicContact CD2-CG 4.11Å; C205-Q207 PolarHBondContact O-N 3.46Å; Q207-K210 WeakPolarHBondContact O-CE 3.36Å; Q207-G309 PolarHBondContact NE2-O 3.47Å; Q207-R310 PolarHBondContact NE2-O 3.04Å
208	V	75.8	Confident	86.4	Confident	78 Å²	78	34.4 Å²	34.4	47%	0.473	17%	0.167	S	C	.	.	S	Bend	trans	-86	-72.5	-173.4	-171.4	0	0	0	0	111.6	Y124 A131 K210	Y124-V208 WeakPolarHBondContact OH-CG1 3.25Å; A131-V208 HydrophobicContact CB-CG2 3.5Å; V208-K210 VanDerWaalsContact C-N 3.34Å; V208-K210 PolarHBondContact O-N 3.4Å; V208-K210 VanDerWaalsContact O-N 3.1Å
209	Q	81.4	Confident	86.5	Confident	46 Å²	46	35.1 Å²	35.1	22%	0.215	17%	0.171	C	C	.	.	S	Bend	trans	-90.2	57.6	-175.1	-68.1	-170.9	-17.6	0	0	113.3	Y120 Y124 N211 L212 S213	Y120-Q209 PolarHBondContact OH-NE2 3.04Å; Y120-Q209 VanDerWaalsContact OH-NE2 3.11Å; Y120-Q209 PolarHBondContact OH-OE1 3.36Å; Y124-Q209 HydrophobicContact CE1-CG 3.8Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.3Å; Q209-L212 HydrophobicContact CB-CB 4.48Å; Q209-L212 PolarHBondContact O-N 3.42Å; Q209-S213 WeakPolarHBondContact O-CB 3.21Å; Q209-S213 PolarHBondContact O-N 2.92Å; Q209-S213 PolarHBondContact O-OG 2.91Å
210	K	84.5	Confident	86.8	Confident	69 Å²	69	30 Å²	30	30%	0.3	15%	0.152	S	C	.	.	H	α-helix	trans	-53.8	-45	-172.5	-59.6	-175.3	-175.4	-169.1	0	113.6	Q207 V208 R214 V308	Q207-K210 WeakPolarHBondContact O-CE 3.36Å; V208-K210 VanDerWaalsContact C-N 3.34Å; V208-K210 PolarHBondContact O-N 3.4Å; V208-K210 VanDerWaalsContact O-N 3.1Å; K210-R214 WeakPolarHBondContact O-CB 3.18Å; K210-R214 WeakPolarHBondContact O-CD 3.43Å; K210-R214 WeakPolarHBondContact O-CG 3.49Å; K210-R214 PolarHBondContact O-N 2.89Å; K210-V308 HydrophobicContact CB-CG1 4.03Å; K210-V308 HydrophobicContact CG-CG1 4.25Å
211	N	86.8	Confident	87.2	Confident	79 Å²	79	27.4 Å²	27.4	42%	0.422	14%	0.139	S	C	.	.	H	α-helix	trans	-71	-47.1	-175.2	-66.2	-15.8	0	0	0	112.4	G69 Q209 R214 C215	G69-N211 WeakPolarHBondContact CA-OD1 3.42Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.3Å; N211-R214 PolarHBondContact O-N 2.95Å; N211-C215 PolarHBondContact O-N 3.02Å; N211-C215 PolarHBondContact O-SG 3.26Å; N211-C215 VanDerWaalsContact O-SG 3.37Å
212	L	89.3	Confident	87.5	Confident	76 Å²	76	26.8 Å²	26.8	40%	0.398	14%	0.136	S	C	.	.	H	α-helix	trans	-66.5	-39.5	179.7	-175.4	60.6	0	0	0	111.4	W117 Y120 Q209 C215 G216	W117-L212 PolarHBondContact NE1-O 3.45Å; Y120-L212 HydrophobicContact CD1-CD2 4.4Å; Y120-L212 HydrophobicContact CE1-CD2 3.53Å; Q209-L212 HydrophobicContact CB-CB 4.48Å; Q209-L212 PolarHBondContact O-N 3.42Å; L212-C215 PolarHBondContact O-N 2.83Å; L212-G216 PolarHBondContact O-N 2.95Å
213	S	90.1	Very high	88.1	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-39	175.7	-56.8	0	0	0	0	112.3	F121 Q209 G216 L217	F121-S213 WeakPolarHBondContact CE2-OG 3.34Å; Q209-S213 WeakPolarHBondContact O-CB 3.21Å; Q209-S213 PolarHBondContact O-N 2.92Å; Q209-S213 PolarHBondContact O-OG 2.91Å; S213-G216 PolarHBondContact O-N 2.73Å; S213-L217 WeakPolarHBondContact O-CB 3.39Å; S213-L217 VanDerWaalsContact O-CG 3.25Å; S213-L217 WeakPolarHBondContact O-CG 3.49Å; S213-L217 PolarHBondContact O-N 2.9Å
214	R	91.4	Very high	88.9	Confident	9 Å²	9	23.3 Å²	23.3	3%	0.034	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-47.5	174.4	-78.1	170.4	-173.2	164.1	-2.7	112.3	R66 K210 N211 G216 M218 V308	R66-R214 PolarHBondContact O-NH1 2.83Å; K210-R214 WeakPolarHBondContact O-CB 3.18Å; K210-R214 WeakPolarHBondContact O-CD 3.43Å; K210-R214 WeakPolarHBondContact O-CG 3.49Å; K210-R214 PolarHBondContact O-N 2.89Å; N211-R214 PolarHBondContact O-N 2.95Å; R214-G216 VanDerWaalsContact C-N 3.35Å; R214-G216 PolarHBondContact O-N 3.26Å; R214-M218 WeakPolarHBondContact O-CB 3.41Å; R214-M218 PolarHBondContact O-N 3.31Å; R214-V308 HydrophobicContact CG-CB 4.07Å; R214-V308 HydrophobicContact CG-CG1 3.95Å; R214-V308 HydrophobicContact CG-CG2 4.37Å; R214-V308 PolarHBondContact NH2-O 3.41Å; R214-V308 VanDerWaalsContact NH2-O 3.08Å
215	C	93.6	Very high	89.6	Confident	21 Å²	21	24.6 Å²	24.6	14%	0.142	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-43.7	178.6	-68	0	0	0	0	111.8	I76 N211 L212 M218 L219	I76-C215 HydrophobicContact CD1-CB 4.13Å; N211-C215 PolarHBondContact O-N 3.02Å; N211-C215 PolarHBondContact O-SG 3.26Å; N211-C215 VanDerWaalsContact O-SG 3.37Å; L212-C215 PolarHBondContact O-N 2.83Å; C215-M218 PolarHBondContact O-N 3.3Å; C215-L219 WeakPolarHBondContact O-CB 3.17Å; C215-L219 PolarHBondContact O-N 3.35Å
216	G	94.1	Very high	90.4	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-71.4	-36.9	-179.3	0	0	0	0	0	114.5	L212 S213 R214 M218 L219 T220	L212-G216 PolarHBondContact O-N 2.95Å; S213-G216 PolarHBondContact O-N 2.73Å; R214-G216 VanDerWaalsContact C-N 3.35Å; R214-G216 PolarHBondContact O-N 3.26Å; G216-M218 VanDerWaalsContact C-N 3.31Å; G216-M218 PolarHBondContact O-N 3.1Å; G216-L219 WeakPolarHBondContact O-CB 3.23Å; G216-L219 PolarHBondContact O-N 3.38Å; G216-T220 PolarHBondContact O-N 2.83Å; G216-T220 PolarHBondContact O-OG1 2.95Å; G216-T220 VanDerWaalsContact O-OG1 3.09Å
217	L	94.4	Very high	91	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-37.6	171.9	-70.7	168.3	0	0	0	111.9	W117 F197 S213 T220 L221 M304 W305 V308	W117-L217 HydrophobicContact CH2-CD2 3.76Å; W117-L217 HydrophobicContact CH2-CG 3.76Å; W117-L217 HydrophobicContact CZ2-CG 4.37Å; W117-L217 HydrophobicContact CZ3-CD2 4.35Å; F197-L217 HydrophobicContact CE1-CD2 4.2Å; F197-L217 HydrophobicContact CZ-CD2 4.21Å; S213-L217 WeakPolarHBondContact O-CB 3.39Å; S213-L217 VanDerWaalsContact O-CG 3.25Å; S213-L217 WeakPolarHBondContact O-CG 3.49Å; S213-L217 PolarHBondContact O-N 2.9Å; L217-T220 PolarHBondContact O-N 3.44Å; L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 PolarHBondContact O-N 2.97Å; L217-M304 HydrophobicContact CD1-CB 3.96Å; L217-M304 HydrophobicContact CD2-CB 3.95Å; L217-M304 HydrophobicContact CD2-CE 3.98Å; L217-M304 HydrophobicContact CD2-SD 4.26Å; L217-W305 HydrophobicContact CB-CB 4.04Å; L217-W305 HydrophobicContact CD1-CB 4.18Å; L217-V308 HydrophobicContact CD1-CG2 3.68Å
218	M	94.5	Very high	91.8	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-68.8	-36.5	173.8	-83	-63.8	148.9	0	0	112.7	S73 C77 R214 C215 G216 L221 S222 F302 W305	S73-M218 WeakPolarHBondContact O-CB 3.38Å; C77-M218 HydrophobicContact CB-CB 4.1Å; C77-M218 HydrophobicContact CB-CG 4.31Å; C77-M218 HydrophobicContact CB-SD 3.78Å; R214-M218 WeakPolarHBondContact O-CB 3.41Å; R214-M218 PolarHBondContact O-N 3.31Å; C215-M218 PolarHBondContact O-N 3.3Å; G216-M218 VanDerWaalsContact C-N 3.31Å; G216-M218 PolarHBondContact O-N 3.1Å; M218-L221 HydrophobicContact CE-CD1 4.31Å; M218-L221 PolarHBondContact O-N 3.42Å; M218-L221 HydrophobicContact SD-CD1 4.45Å; M218-S222 WeakPolarHBondContact O-CB 3.22Å; M218-S222 PolarHBondContact O-N 2.82Å; M218-S222 PolarHBondContact O-OG 3.38Å; M218-F302 HydrophobicContact CE-CD2 4.18Å; M218-F302 HydrophobicContact CE-CE2 4.47Å; M218-W305 HydrophobicContact CE-CB 4.06Å; M218-W305 HydrophobicContact CE-CD2 3.16Å; M218-W305 VanDerWaalsContact CE-CE2 3.41Å; M218-W305 HydrophobicContact CE-CE3 3.43Å; M218-W305 VanDerWaalsContact CE-CE3 3.43Å; M218-W305 HydrophobicContact CE-CG 3.42Å; M218-W305 VanDerWaalsContact CE-CG 3.42Å; M218-W305 HydrophobicContact CE-CH2 4.09Å; M218-W305 HydrophobicContact CE-CZ2 3.9Å; M218-W305 HydrophobicContact CE-CZ3 3.88Å; M218-W305 HydrophobicContact CG-CG 4.35Å
219	L	95.8	Very high	92.4	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.084	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-49.3	170.3	172.6	67.1	0	0	0	110.4	I80 L110 L113 T114 C215 G216 L221 S222 T223	I80-L219 HydrophobicContact CD1-CD1 3.52Å; L110-L219 HydrophobicContact CD2-CD1 4.42Å; L113-L219 HydrophobicContact CB-CD2 4.45Å; L113-L219 HydrophobicContact CD2-CD1 3.98Å; L113-L219 HydrophobicContact CD2-CD2 3.89Å; L113-L219 HydrophobicContact CG-CD2 3.73Å; T114-L219 HydrophobicContact CG2-CD1 4.27Å; T114-L219 HydrophobicContact CG2-CD2 4.04Å; T114-L219 HydrophobicContact CG2-CG 3.66Å; C215-L219 WeakPolarHBondContact O-CB 3.17Å; C215-L219 PolarHBondContact O-N 3.35Å; G216-L219 WeakPolarHBondContact O-CB 3.23Å; G216-L219 PolarHBondContact O-N 3.38Å; L219-L221 PolarHBondContact O-N 3.4Å; L219-S222 PolarHBondContact O-N 3.02Å; L219-T223 PolarHBondContact O-N 3.16Å; L219-T223 PolarHBondContact O-OG1 3.47Å; L219-T223 VanDerWaalsContact O-OG1 3.05Å
220	T	96.1	Very high	92.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.1	-59	0	0	0	0	111.9	G216 L217 S222 T223 N224 A301	G216-T220 PolarHBondContact O-N 2.83Å; G216-T220 PolarHBondContact O-OG1 2.95Å; G216-T220 VanDerWaalsContact O-OG1 3.09Å; L217-T220 PolarHBondContact O-N 3.44Å; T220-S222 PolarHBondContact O-N 3.02Å; T220-T223 PolarHBondContact O-N 3.27Å; T220-N224 PolarHBondContact O-N 3.46Å; T220-N224 VanDerWaalsContact O-N 3.14Å; T220-N224 PolarHBondContact O-ND2 3.44Å; T220-A301 HydrophobicContact CG2-CB 4.3Å
221	L	95.6	Very high	92.7	Very high	14 Å²	14	17 Å²	17	7%	0.073	9%	0.089	C	C	.	.	H	α-helix	trans	-58.3	-47.4	175.6	-179.4	151.7	0	0	0	111.3	L217 M218 L219 N224 L225 A301 F302	L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 PolarHBondContact O-N 2.97Å; M218-L221 HydrophobicContact CE-CD1 4.31Å; M218-L221 PolarHBondContact O-N 3.42Å; M218-L221 HydrophobicContact SD-CD1 4.45Å; L219-L221 PolarHBondContact O-N 3.4Å; L221-N224 PolarHBondContact O-N 2.93Å; L221-L225 HydrophobicContact CD2-CD1 3.58Å; L221-L225 HydrophobicContact CD2-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.42Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 3.03Å; L221-A301 HydrophobicContact CB-CB 4.05Å; L221-F302 HydrophobicContact CD1-CB 3.66Å; L221-F302 HydrophobicContact CD1-CD2 3.79Å; L221-F302 HydrophobicContact CD1-CG 4.21Å
222	S	96.3	Very high	92.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-42.5	-178	-53.4	0	0	0	0	111.8	C77 M218 L219 T220 N224 L225 V226	C77-S222 VanDerWaalsContact CA-OG 3.23Å; C77-S222 WeakPolarHBondContact CA-OG 3.43Å; C77-S222 PolarHBondContact SG-OG 3.35Å; M218-S222 WeakPolarHBondContact O-CB 3.22Å; M218-S222 PolarHBondContact O-N 2.82Å; M218-S222 PolarHBondContact O-OG 3.38Å; L219-S222 PolarHBondContact O-N 3.02Å; T220-S222 PolarHBondContact O-N 3.02Å; S222-N224 VanDerWaalsContact C-N 3.34Å; S222-N224 PolarHBondContact O-N 3.19Å; S222-L225 PolarHBondContact O-N 3.32Å; S222-V226 VanDerWaalsContact O-CG2 3.31Å; S222-V226 WeakPolarHBondContact O-CG2 3.38Å; S222-V226 PolarHBondContact O-N 3.04Å
223	T	96.4	Very high	92	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-44.1	176.8	-62.1	0	0	0	0	111.7	L110 F111 T114 F190 L219 T220 V226 L227	L110-T223 HydrophobicContact CB-CG2 3.9Å; F111-T223 HydrophobicContact CD1-CG2 3.84Å; F111-T223 HydrophobicContact CE1-CG2 4.09Å; T114-T223 HydrophobicContact CG2-CG2 4.06Å; T114-T223 WeakPolarHBondContact CG2-OG1 3.26Å; F190-T223 HydrophobicContact CE2-CG2 4.35Å; F190-T223 HydrophobicContact CZ-CG2 3.99Å; L219-T223 PolarHBondContact O-N 3.16Å; L219-T223 PolarHBondContact O-OG1 3.47Å; L219-T223 VanDerWaalsContact O-OG1 3.05Å; T220-T223 PolarHBondContact O-N 3.27Å; T223-V226 PolarHBondContact O-N 3.1Å; T223-L227 WeakPolarHBondContact O-CB 3.34Å; T223-L227 PolarHBondContact O-N 2.84Å
224	N	96.3	Very high	91.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.4	-40.4	176.6	-72.1	-47.8	0	0	0	112.5	Q194 T220 L221 S222 L227 W228 A297 S298	Q194-N224 VanDerWaalsContact NE2-CG 3.26Å; Q194-N224 PolarHBondContact NE2-ND2 3.37Å; Q194-N224 PolarHBondContact NE2-OD1 3.39Å; Q194-N224 PolarHBondContact OE1-OD1 3.12Å; T220-N224 PolarHBondContact O-N 3.46Å; T220-N224 VanDerWaalsContact O-N 3.14Å; T220-N224 PolarHBondContact O-ND2 3.44Å; L221-N224 PolarHBondContact O-N 2.93Å; S222-N224 VanDerWaalsContact C-N 3.34Å; S222-N224 PolarHBondContact O-N 3.19Å; N224-L227 PolarHBondContact O-N 3.06Å; N224-W228 VanDerWaalsContact O-CB 3.29Å; N224-W228 WeakPolarHBondContact O-CB 3.11Å; N224-W228 PolarHBondContact O-N 3.46Å; N224-A297 WeakPolarHBondContact ND2-CB 3.17Å; N224-S298 WeakPolarHBondContact CB-OG 3.37Å
225	L	94.1	Very high	90.4	Very high	45 Å²	45	13.1 Å²	13.1	24%	0.236	7%	0.07	C	C	.	.	H	α-helix	trans	-68.2	-37.8	177.1	-71.7	-177.9	0	0	0	112.2	L81 L221 S222 W228 M229	L81-L225 HydrophobicContact CD1-CD1 4.24Å; L81-L225 HydrophobicContact CD2-CB 3.64Å; L81-L225 HydrophobicContact CD2-CD1 4.06Å; L221-L225 HydrophobicContact CD2-CD1 3.58Å; L221-L225 HydrophobicContact CD2-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.42Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 3.03Å; S222-L225 PolarHBondContact O-N 3.32Å; L225-W228 PolarHBondContact O-N 3.42Å; L225-M229 WeakPolarHBondContact O-CB 3.14Å; L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.25Å; L225-M229 PolarHBondContact O-N 3.4Å
226	V	94.8	Very high	89.2	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-65	-42.2	173.8	171.9	0	0	0	0	111.3	I80 L81 F106 I107 L110 S222 T223 M229 T230	I80-V226 HydrophobicContact CG2-CG2 4.29Å; L81-V226 HydrophobicContact CD2-CG2 4.19Å; F106-V226 HydrophobicContact CE1-CG1 4.01Å; I107-V226 HydrophobicContact CG1-CG1 4.31Å; L110-V226 HydrophobicContact CD1-CB 4.44Å; L110-V226 HydrophobicContact CD1-CG1 4.26Å; S222-V226 VanDerWaalsContact O-CG2 3.31Å; S222-V226 WeakPolarHBondContact O-CG2 3.38Å; S222-V226 PolarHBondContact O-N 3.04Å; T223-V226 PolarHBondContact O-N 3.1Å; V226-M229 HydrophobicContact CB-CE 4.33Å; V226-M229 HydrophobicContact CG2-CE 3.9Å; V226-M229 PolarHBondContact O-N 2.87Å; V226-T230 WeakPolarHBondContact O-CB 3.27Å; V226-T230 PolarHBondContact O-N 3.15Å; V226-T230 PolarHBondContact O-OG1 2.82Å
227	L	92.9	Very high	87.7	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-50	173.9	-177.5	60	0	0	0	110.4	I107 F111 T223 N224 M229 T230 E231 C294	I107-L227 HydrophobicContact CG2-CD1 4.46Å; F111-L227 HydrophobicContact CE1-CD2 3.96Å; F111-L227 HydrophobicContact CZ-CD1 4.04Å; F111-L227 HydrophobicContact CZ-CD2 3.85Å; F111-L227 HydrophobicContact CZ-CG 4.5Å; T223-L227 WeakPolarHBondContact O-CB 3.34Å; T223-L227 PolarHBondContact O-N 2.84Å; N224-L227 PolarHBondContact O-N 3.06Å; L227-M229 VanDerWaalsContact C-N 3.34Å; L227-M229 PolarHBondContact O-N 3.21Å; L227-T230 WeakPolarHBondContact O-CB 3.47Å; L227-T230 PolarHBondContact O-N 2.87Å; L227-E231 HydrophobicContact CD1-CG 4.08Å; L227-E231 HydrophobicContact CG-CG 4.25Å; L227-E231 VanDerWaalsContact O-CG 3.26Å; L227-E231 WeakPolarHBondContact O-CG 3.24Å; L227-E231 PolarHBondContact O-N 3.26Å; L227-C294 WeakPolarHBondContact CD2-SG 3.28Å
228	W	92.6	Very high	86.1	Confident	27 Å²	27	16.8 Å²	16.8	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	-53.5	-47.7	175.6	172.7	81.7	0	0	0	112.6	N224 L225 T230 E231 V232 C294 L295 V575 F579	N224-W228 VanDerWaalsContact O-CB 3.29Å; N224-W228 WeakPolarHBondContact O-CB 3.11Å; N224-W228 PolarHBondContact O-N 3.46Å; L225-W228 PolarHBondContact O-N 3.42Å; W228-T230 VanDerWaalsContact C-N 3.31Å; W228-T230 PolarHBondContact O-N 2.93Å; W228-E231 PolarHBondContact O-N 3.46Å; W228-V232 HydrophobicContact CD2-CG2 4.27Å; W228-V232 HydrophobicContact CZ2-CG2 4.01Å; W228-V232 WeakPolarHBondContact O-CB 3.35Å; W228-V232 VanDerWaalsContact O-CG2 3.3Å; W228-V232 WeakPolarHBondContact O-CG2 3.49Å; W228-V232 PolarHBondContact O-N 3.19Å; W228-C294 HydrophobicContact CB-CB 3.86Å; W228-L295 HydrophobicContact CD2-CD2 4.2Å; W228-L295 HydrophobicContact CG-CD2 4.07Å; W228-L295 HydrophobicContact CG-CG 4.4Å; W228-V575 HydrophobicContact CH2-CG1 4.36Å; W228-F579 AromaticContact CH2-CE2 3.62Å; W228-F579 HydrophobicContact CH2-CE2 3.62Å; W228-F579 AromaticContact CH2-CZ 3.95Å; W228-F579 HydrophobicContact CH2-CZ 3.95Å; W228-F579 HydrophobicContact CZ2-CD2 4.26Å; W228-F579 AromaticContact CZ2-CE2 3.46Å; W228-F579 HydrophobicContact CZ2-CE2 3.46Å; W228-F579 VanDerWaalsContact CZ2-CE2 3.46Å; W228-F579 AromaticContact CZ2-CZ 3.88Å; W228-F579 HydrophobicContact CZ2-CZ 3.88Å
229	M	89.3	Confident	84.1	Confident	35 Å²	35	16.6 Å²	16.6	17%	0.172	9%	0.086	C	C	.	.	H	α-helix	trans	-61.1	-40.3	176.9	-73.5	-176.7	-65.4	0	0	112.2	L81 C85 L225 V226 L227 T233	L81-M229 HydrophobicContact CD2-CE 4.19Å; C85-M229 PolarHBondContact SG-SD 3.48Å; L225-M229 WeakPolarHBondContact O-CB 3.14Å; L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.25Å; L225-M229 PolarHBondContact O-N 3.4Å; V226-M229 HydrophobicContact CB-CE 4.33Å; V226-M229 HydrophobicContact CG2-CE 3.9Å; V226-M229 PolarHBondContact O-N 2.87Å; L227-M229 VanDerWaalsContact C-N 3.34Å; L227-M229 PolarHBondContact O-N 3.21Å; M229-T233 VanDerWaalsContact O-CB 3.25Å; M229-T233 WeakPolarHBondContact O-CB 3.48Å; M229-T233 PolarHBondContact O-N 3.2Å; M229-T233 PolarHBondContact O-OG1 3.44Å
230	T	87.9	Confident	81.8	Confident	13 Å²	13	17.2 Å²	17.2	8%	0.08	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-47.6	177.6	-57.8	0	0	0	0	110.7	V88 L103 I107 V226 L227 W228 T233 E234	V88-T230 WeakPolarHBondContact CG2-OG1 3.23Å; L103-T230 HydrophobicContact CD2-CG2 3.74Å; L103-T230 HydrophobicContact CG-CG2 4.38Å; I107-T230 HydrophobicContact CD1-CG2 3.85Å; I107-T230 WeakPolarHBondContact CD1-OG1 3.24Å; V226-T230 WeakPolarHBondContact O-CB 3.27Å; V226-T230 PolarHBondContact O-N 3.15Å; V226-T230 PolarHBondContact O-OG1 2.82Å; L227-T230 WeakPolarHBondContact O-CB 3.47Å; L227-T230 PolarHBondContact O-N 2.87Å; W228-T230 VanDerWaalsContact C-N 3.31Å; W228-T230 PolarHBondContact O-N 2.93Å; T230-T233 PolarHBondContact O-N 3.28Å; T230-E234 WeakPolarHBondContact O-CB 3.24Å; T230-E234 PolarHBondContact O-N 3.44Å
231	E	84.4	Confident	79.4	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-44.3	-177.7	-60.5	-77.2	137.7	0	0	111.2	L227 W228 T233 E234 E235 Y287 N290 I291	L227-E231 HydrophobicContact CD1-CG 4.08Å; L227-E231 HydrophobicContact CG-CG 4.25Å; L227-E231 VanDerWaalsContact O-CG 3.26Å; L227-E231 WeakPolarHBondContact O-CG 3.24Å; L227-E231 PolarHBondContact O-N 3.26Å; W228-E231 PolarHBondContact O-N 3.46Å; E231-T233 PolarHBondContact O-N 3.33Å; E231-E234 PolarHBondContact O-N 2.85Å; E231-E235 WeakPolarHBondContact O-CB 3.36Å; E231-E235 PolarHBondContact O-N 3.03Å; E231-Y287 WeakPolarHBondContact CA-OH 3.5Å; E231-Y287 HydrophobicContact CB-CE1 4.03Å; E231-Y287 VanDerWaalsContact O-CE1 3.31Å; E231-Y287 WeakPolarHBondContact O-CE1 3.33Å; E231-Y287 PolarHBondContact O-OH 3.31Å; E231-Y287 VanDerWaalsContact OE2-CE2 3.25Å; E231-Y287 WeakPolarHBondContact OE2-CE2 3.5Å; E231-Y287 PolarHBondContact OE2-OH 2.94Å; E231-N290 PolarHBondContact OE2-ND2 3.12Å; E231-I291 HydrophobicContact CB-CG1 3.95Å
232	V	82.2	Confident	77.2	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-37.1	175	167.9	0	0	0	0	111.7	W228 S236 I291 N574 V575 P578	W228-V232 HydrophobicContact CD2-CG2 4.27Å; W228-V232 HydrophobicContact CZ2-CG2 4.01Å; W228-V232 WeakPolarHBondContact O-CB 3.35Å; W228-V232 VanDerWaalsContact O-CG2 3.3Å; W228-V232 WeakPolarHBondContact O-CG2 3.49Å; W228-V232 PolarHBondContact O-N 3.19Å; V232-S236 WeakPolarHBondContact O-CB 3.47Å; V232-S236 PolarHBondContact O-N 3.4Å; V232-S236 PolarHBondContact O-OG 3Å; V232-I291 HydrophobicContact CG2-CD1 4.29Å; V232-I291 HydrophobicContact CG2-CG2 4.03Å; V232-N574 HydrophobicContact CG1-CB 4.09Å; V232-N574 WeakPolarHBondContact CG1-O 3.39Å; V232-V575 HydrophobicContact CG1-CG2 3.83Å; V232-P578 HydrophobicContact CG2-CG 4.48Å
233	T	79.1	Confident	74.5	Confident	37 Å²	37	26.5 Å²	26.5	23%	0.227	14%	0.139	C	C	.	.	H	α-helix	trans	-73.5	-41.8	-179.9	-59.9	0	0	0	0	111.9	V88 T92 M229 T230 E231 S236 L237	V88-T233 HydrophobicContact CG1-CG2 3.81Å; V88-T233 VanDerWaalsContact CG1-OG1 3.24Å; V88-T233 WeakPolarHBondContact CG1-OG1 2.95Å; T92-T233 HydrophobicContact CG2-CG2 3.14Å; M229-T233 VanDerWaalsContact O-CB 3.25Å; M229-T233 WeakPolarHBondContact O-CB 3.48Å; M229-T233 PolarHBondContact O-N 3.2Å; M229-T233 PolarHBondContact O-OG1 3.44Å; T230-T233 PolarHBondContact O-N 3.28Å; E231-T233 PolarHBondContact O-N 3.33Å; T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.82Å; T233-L237 PolarHBondContact O-N 3.07Å
234	E	75.9	Confident	71.6	Confident	33 Å²	33	34 Å²	34	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-42.2	175.7	179.1	-177.4	-169.6	0	0	111	T230 E231 S236 L237 H238 Y264 Y287	T230-E234 WeakPolarHBondContact O-CB 3.24Å; T230-E234 PolarHBondContact O-N 3.44Å; E231-E234 PolarHBondContact O-N 2.85Å; E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 3.15Å; E234-L237 PolarHBondContact O-N 3.49Å; E234-H238 PolarHBondContact O-CD2 3.4Å; E234-H238 PolarHBondContact O-N 3.48Å; E234-Y264 PolarHBondContact OE1-OH 3.23Å; E234-Y287 WeakPolarHBondContact CB-OH 3.16Å; E234-Y287 PolarHBondContact OE2-OH 3.4Å
235	E	72.6	Confident	68.6	Low	9 Å²	9	42.3 Å²	42.3	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-42.3	171.7	177.5	164.8	-128.9	0	0	111.9	E231 H238 Q239 Y287 R552	E231-E235 WeakPolarHBondContact O-CB 3.36Å; E231-E235 PolarHBondContact O-N 3.03Å; E235-H238 PolarHBondContact O-N 3.33Å; E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 2.97Å; E235-Y287 HydrophobicContact CB-CD1 4.14Å; E235-Y287 HydrophobicContact CB-CE1 3.72Å; E235-R552 VanDerWaalsContact CD-NH2 3.25Å; E235-R552 IonicContact OE1-CZ 3.82Å; E235-R552 IonicContact OE1-NH1 3.95Å; E235-R552 PolarHBondContact OE1-NH1 2.93Å; E235-R552 IonicContact OE1-NH2 3.58Å; E235-R552 PolarHBondContact OE1-NH2 3.32Å; E235-R552 IonicContact OE2-CZ 2.85Å; E235-R552 IonicContact OE2-NH1 3.96Å; E235-R552 PolarHBondContact OE2-NH1 3.36Å; E235-R552 IonicContact OE2-NH2 3.61Å; E235-R552 PolarHBondContact OE2-NH2 3.22Å; E235-R552 VanDerWaalsContact OE2-NH2 3.1Å
236	S	67.6	Low	66.1	Low	8 Å²	8	43.9 Å²	43.9	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-40.4	176.9	-57.3	0	0	0	0	112.5	V232 T233 E234 H238 Q239 T240 N574	V232-S236 WeakPolarHBondContact O-CB 3.47Å; V232-S236 PolarHBondContact O-N 3.4Å; V232-S236 PolarHBondContact O-OG 3Å; T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.82Å; E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 3.15Å; S236-H238 VanDerWaalsContact C-N 3.35Å; S236-H238 PolarHBondContact O-N 2.88Å; S236-Q239 PolarHBondContact O-N 3.27Å; S236-T240 WeakPolarHBondContact O-CB 3.3Å; S236-T240 WeakPolarHBondContact O-CG2 3.31Å; S236-T240 PolarHBondContact O-N 2.67Å; S236-T240 VanDerWaalsContact O-N 3.11Å; S236-T240 PolarHBondContact O-OG1 3.3Å; S236-N574 WeakPolarHBondContact CA-ND2 3.43Å; S236-N574 PolarHBondContact N-ND2 2.9Å; S236-N574 VanDerWaalsContact OG-CB 3.31Å; S236-N574 WeakPolarHBondContact OG-CB 3.02Å; S236-N574 PolarHBondContact OG-ND2 2.74Å
237	L	63.5	Low	63.6	Low	66 Å²	66	49.7 Å²	49.7	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-41.1	178.5	-173	66.9	0	0	0	111.4	T233 E234 Q239 T240 V241	T233-L237 PolarHBondContact O-N 3.07Å; E234-L237 PolarHBondContact O-N 3.49Å; L237-Q239 PolarHBondContact O-N 2.93Å; L237-T240 PolarHBondContact O-N 3.13Å; L237-T240 PolarHBondContact O-OG1 3.35Å; L237-V241 HydrophobicContact CD1-CG2 3.86Å
238	H	59.8	Low	61.2	Low	30 Å²	30	56.9 Å²	56.9	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-29.2	176	-73.2	-171.6	0	0	0	112.2	E234 E235 S236 Y258 A262	E234-H238 PolarHBondContact O-CD2 3.4Å; E234-H238 PolarHBondContact O-N 3.48Å; E235-H238 PolarHBondContact O-N 3.33Å; S236-H238 VanDerWaalsContact C-N 3.35Å; S236-H238 PolarHBondContact O-N 2.88Å; H238-Y258 WeakPolarHBondContact O-CD1 3.43Å; H238-A262 WeakPolarHBondContact CE1-CB 3.34Å; H238-A262 WeakPolarHBondContact ND1-CB 3.22Å
239	Q	52.8	Low	58.9	Low	6 Å²	6	60.7 Å²	60.7	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-91.2	-20.8	-177.3	-68	170.9	2.9	0	0	115	E235 S236 L237 Y258 A570 N574	E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 2.97Å; S236-Q239 PolarHBondContact O-N 3.27Å; L237-Q239 PolarHBondContact O-N 2.93Å; Q239-Y258 VanDerWaalsContact CA-CE1 3.46Å; Q239-Y258 HydrophobicContact CB-CE1 4.43Å; Q239-Y258 WeakPolarHBondContact O-CE1 3.26Å; Q239-Y258 PolarHBondContact O-OH 2.96Å; Q239-A570 HydrophobicContact CB-CB 4.45Å; Q239-N574 PolarHBondContact NE2-OD1 3.22Å; Q239-N574 PolarHBondContact OE1-ND2 3.44Å; Q239-N574 PolarHBondContact OE1-OD1 2.84Å
240	T	48.2	Very low	56.8	Low	29 Å²	29	64.6 Å²	64.6	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-98.4	-23.5	-168.1	48.9	0	0	0	0	114.9	S236 L237 F242 A570	S236-T240 WeakPolarHBondContact O-CB 3.3Å; S236-T240 WeakPolarHBondContact O-CG2 3.31Å; S236-T240 PolarHBondContact O-N 2.67Å; S236-T240 VanDerWaalsContact O-N 3.11Å; S236-T240 PolarHBondContact O-OG1 3.3Å; L237-T240 PolarHBondContact O-N 3.13Å; L237-T240 PolarHBondContact O-OG1 3.35Å; T240-F242 PolarHBondContact O-N 2.96Å; T240-A570 HydrophobicContact CG2-CB 3.37Å
241	V	46	Very low	54.6	Low	54 Å²	54	72.5 Å²	72.5	33%	0.327	39%	0.39	S	S	.	.			trans	-94.2	87.2	-178	-160.3	0	0	0	0	110.8	L237 P243 R261	L237-V241 HydrophobicContact CD1-CG2 3.86Å; V241-P243 WeakPolarHBondContact O-CD 3.05Å; V241-R261 VanDerWaalsContact CG1-CZ 3.45Å; V241-R261 PolarHBondContact O-NH1 2.97Å
242	F	47.8	Very low	52.7	Low	104 Å²	104	76.5 Å²	76.5	46%	0.456	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-58	129.7	167	-57.9	-85.1	0	0	0	109.3	T240 S566	T240-F242 PolarHBondContact O-N 2.96Å; F242-S566 VanDerWaalsContact CE2-CB 3.42Å; F242-S566 WeakPolarHBondContact CE2-OG 3.5Å; F242-S566 VanDerWaalsContact CZ-OG 3.27Å; F242-S566 WeakPolarHBondContact CZ-OG 3.16Å
243	P	39.7	Very low	51.2	Low	50 Å²	50	77.2 Å²	77.2	33%	0.325	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-63	138.9	162.5	-21.6	36.6	0	0	0	108.6	V241 E245 M257	V241-P243 WeakPolarHBondContact O-CD 3.05Å; P243-E245 PolarHBondContact O-N 2.69Å; P243-M257 HydrophobicContact CB-CE 3.76Å; P243-M257 HydrophobicContact CG-CE 3.43Å; P243-M257 VanDerWaalsContact CG-CE 3.43Å; P243-M257 HydrophobicContact CG-CG 3.89Å; P243-M257 HydrophobicContact CG-SD 3.77Å
244	D	35.5	Very low	49.9	Very low	159 Å²	159	79.1 Å²	79.1	85%	0.85	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-51.8	127.6	160.5	-69.5	-47	0	0	0	107.6	P246	D244-P246 VanDerWaalsContact O-CD 3.28Å; D244-P246 WeakPolarHBondContact O-CD 3.38Å; D244-P246 VanDerWaalsContact O-N 3.12Å
245	E	34.5	Very low	48.7	Very low	176 Å²	176	79 Å²	79	82%	0.822	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-51	120	-180	-86.5	-164.4	148.4	0	0	110.2	P243 T247	P243-E245 PolarHBondContact O-N 2.69Å; E245-T247 PolarHBondContact O-N 3.01Å
246	P	40.3	Very low	47.7	Very low	78 Å²	78	82.5 Å²	82.5	51%	0.506	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-71.2	118.1	157.8	7.2	7.6	0	0	0	106.2	D244 N248 V249	D244-P246 VanDerWaalsContact O-CD 3.28Å; D244-P246 WeakPolarHBondContact O-CD 3.38Å; D244-P246 VanDerWaalsContact O-N 3.12Å; P246-N248 PolarHBondContact O-N 3.26Å; P246-V249 HydrophobicContact CB-CG2 4.14Å; P246-V249 HydrophobicContact CG-CG2 3.83Å
247	T	42.9	Very low	46.9	Very low	123 Å²	123	84.8 Å²	84.8	76%	0.755	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	5.2	-170.4	49.8	0	0	0	0	116.8	E245	E245-T247 PolarHBondContact O-N 3.01Å
248	N	42.5	Very low	46.3	Very low	151 Å²	151	82.7 Å²	82.7	81%	0.807	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.4	33.8	-170.8	-77.7	-44.4	0	0	0	116	P246	P246-N248 PolarHBondContact O-N 3.26Å
249	V	43.7	Very low	45.9	Very low	108 Å²	108	82.2 Å²	82.2	66%	0.655	43%	0.431	S	S	*	.	S	Bend	trans	-126.3	133.5	170.8	-80.5	0	0	0	0	112.6	P246	P246-V249 HydrophobicContact CB-CG2 4.14Å; P246-V249 HydrophobicContact CG-CG2 3.83Å
250	T	45.5	Very low	45.6	Very low	117 Å²	117	89.3 Å²	89.3	72%	0.718	46%	0.458	S	S	*	.			trans	-34.5	131.6	175.3	32.2	0	0	0	0	113.3	L252	T250-L252 VanDerWaalsContact C-N 3.35Å; T250-L252 PolarHBondContact O-N 2.89Å
251	K	41.4	Very low	45.4	Very low	178 Å²	178	94 Å²	94	77%	0.774	47%	0.473	S	S	*	.			trans	-38.6	93.5	171.9	-76.4	-174.8	173.5	-176.1	0	110.6	E358	K251-E358 IonicContact NZ-OE1 2.74Å; K251-E358 PolarHBondContact NZ-OE1 2.88Å
252	L	46.1	Very low	45.2	Very low	86 Å²	86	91.6 Å²	91.6	45%	0.45	46%	0.459	S	S	.	.			trans	-79.4	136.9	173.4	-163.1	83.3	0	0	0	106.6	T250 R254 Q256 M257	T250-L252 VanDerWaalsContact C-N 3.35Å; T250-L252 PolarHBondContact O-N 2.89Å; L252-R254 PolarHBondContact O-N 3.48Å; L252-Q256 HydrophobicContact CD1-CB 4.19Å; L252-Q256 HydrophobicContact CD2-CB 3.77Å; L252-Q256 HydrophobicContact CG-CB 3.67Å; L252-M257 HydrophobicContact CD2-CB 4.23Å; L252-M257 HydrophobicContact CD2-SD 4.14Å
253	S	49.8	Very low	44.9	Very low	19 Å²	19	88.4 Å²	88.4	13%	0.133	45%	0.449	C	S	.	.			trans	-59.6	139	177.2	-179	0	0	0	0	109.6	R255 Q256 M257	S253-R255 PolarHBondContact O-N 3.4Å; S253-Q256 WeakPolarHBondContact O-CA 3.36Å; S253-Q256 WeakPolarHBondContact O-CB 3.25Å; S253-Q256 PolarHBondContact O-N 2.68Å; S253-M257 PolarHBondContact O-N 3.46Å
254	R	51.9	Low	45.2	Very low	78 Å²	78	88.4 Å²	88.4	29%	0.294	44%	0.443	S	S	.	.	H	α-helix	trans	-47.3	-39.1	-179.9	-167.5	-177.3	-68.9	163.4	-1.2	112	L252 M257 Y258 F555 D558	L252-R254 PolarHBondContact O-N 3.48Å; R254-M257 WeakPolarHBondContact O-CB 3.41Å; R254-M257 PolarHBondContact O-N 3.39Å; R254-Y258 HydrophobicContact CB-CE2 4.49Å; R254-Y258 HydrophobicContact CG-CE2 3.59Å; R254-Y258 WeakPolarHBondContact O-CD2 3.17Å; R254-Y258 WeakPolarHBondContact O-CE2 3.37Å; R254-Y258 PolarHBondContact O-N 3.06Å; R254-F555 PolarHBondContact NH1-O 3.04Å; R254-D558 IonicContact CZ-OD1 3.61Å; R254-D558 IonicContact NH1-OD1 2.73Å; R254-D558 PolarHBondContact NH1-OD1 3.5Å; R254-D558 IonicContact NH2-OD1 3.07Å; R254-D558 PolarHBondContact NH2-OD1 3.18Å; R254-D558 IonicContact NH2-OD2 3.76Å; R254-D558 PolarHBondContact NH2-OD2 3.44Å
255	R	51.2	Low	45.7	Very low	29 Å²	29	82.7 Å²	82.7	11%	0.109	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-40.3	175.2	-164.5	178.1	-171.5	166	10.1	114.2	S253 M257 Y258 I259 Y284 Y285 E349	S253-R255 PolarHBondContact O-N 3.4Å; R255-M257 VanDerWaalsContact C-N 3.32Å; R255-Y258 PolarHBondContact O-N 2.89Å; R255-I259 WeakPolarHBondContact O-CG1 3.15Å; R255-I259 PolarHBondContact O-N 2.95Å; R255-Y284 HydrophobicContact CG-CE1 4.49Å; R255-Y285 PolarHBondContact NH2-OH 2.87Å; R255-E349 IonicContact CZ-OE1 3.18Å; R255-E349 IonicContact CZ-OE2 2.71Å; R255-E349 VanDerWaalsContact NH1-CD 3.32Å; R255-E349 IonicContact NH1-OE1 2.73Å; R255-E349 PolarHBondContact NH1-OE1 3Å; R255-E349 IonicContact NH1-OE2 3.71Å; R255-E349 PolarHBondContact NH1-OE2 3.47Å; R255-E349 VanDerWaalsContact NH1-OE2 3.07Å; R255-E349 IonicContact NH2-OE1 2.71Å; R255-E349 PolarHBondContact NH2-OE1 2.9Å; R255-E349 IonicContact NH2-OE2 3.7Å
256	Q	51.1	Low	46.2	Very low	83 Å²	83	80.1 Å²	80.1	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-69.4	-30.2	176.8	-78.3	173.2	-32.6	0	0	112.1	L252 S253 Y260	L252-Q256 HydrophobicContact CD1-CB 4.19Å; L252-Q256 HydrophobicContact CD2-CB 3.77Å; L252-Q256 HydrophobicContact CG-CB 3.67Å; S253-Q256 WeakPolarHBondContact O-CA 3.36Å; S253-Q256 WeakPolarHBondContact O-CB 3.25Å; S253-Q256 PolarHBondContact O-N 2.68Å; Q256-Y260 PolarHBondContact O-N 3.3Å
257	M	50	Low	46.9	Very low	57 Å²	57	83.3 Å²	83.3	28%	0.281	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175.9	-164.9	64	127.1	0	0	111.8	P243 L252 S253 R254 R255 Y260 R261	P243-M257 HydrophobicContact CB-CE 3.76Å; P243-M257 HydrophobicContact CG-CE 3.43Å; P243-M257 VanDerWaalsContact CG-CE 3.43Å; P243-M257 HydrophobicContact CG-CG 3.89Å; P243-M257 HydrophobicContact CG-SD 3.77Å; L252-M257 HydrophobicContact CD2-CB 4.23Å; L252-M257 HydrophobicContact CD2-SD 4.14Å; S253-M257 PolarHBondContact O-N 3.46Å; R254-M257 WeakPolarHBondContact O-CB 3.41Å; R254-M257 PolarHBondContact O-N 3.39Å; R255-M257 VanDerWaalsContact C-N 3.32Å; M257-Y260 PolarHBondContact O-N 3.37Å; M257-R261 PolarHBondContact O-N 2.97Å
258	Y	51.9	Low	47.5	Very low	22 Å²	22	86.3 Å²	86.3	9%	0.086	43%	0.429	C	S	.	.	H	α-helix	trans	-66.1	-40.5	176.4	-59.2	-42	0	0	0	112.9	H238 Q239 R254 R255 Y260 R261 A262	H238-Y258 WeakPolarHBondContact O-CD1 3.43Å; Q239-Y258 VanDerWaalsContact CA-CE1 3.46Å; Q239-Y258 HydrophobicContact CB-CE1 4.43Å; Q239-Y258 WeakPolarHBondContact O-CE1 3.26Å; Q239-Y258 PolarHBondContact O-OH 2.96Å; R254-Y258 HydrophobicContact CB-CE2 4.49Å; R254-Y258 HydrophobicContact CG-CE2 3.59Å; R254-Y258 WeakPolarHBondContact O-CD2 3.17Å; R254-Y258 WeakPolarHBondContact O-CE2 3.37Å; R254-Y258 PolarHBondContact O-N 3.06Å; R255-Y258 PolarHBondContact O-N 2.89Å; Y258-Y260 VanDerWaalsContact C-N 3.27Å; Y258-Y260 PolarHBondContact O-N 3.03Å; Y258-R261 PolarHBondContact O-N 2.75Å; Y258-A262 PolarHBondContact O-N 3.47Å
259	I	50.9	Low	48.7	Very low	19 Å²	19	81.3 Å²	81.3	10%	0.097	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-34.2	175.1	-66.5	165.5	0	0	0	111.3	R255 K280 D281 Y284	R255-I259 WeakPolarHBondContact O-CG1 3.15Å; R255-I259 PolarHBondContact O-N 2.95Å; I259-K280 HydrophobicContact CG2-CB 4.15Å; I259-D281 VanDerWaalsContact CG2-OD1 3.27Å; I259-D281 WeakPolarHBondContact CG2-OD1 3.25Å; I259-Y284 HydrophobicContact CD1-CD1 4.46Å; I259-Y284 HydrophobicContact CG1-CD1 4.31Å; I259-Y284 HydrophobicContact CG1-CD2 4.45Å; I259-Y284 HydrophobicContact CG1-CG 4.17Å
260	Y	45.9	Very low	49.8	Very low	155 Å²	155	84.8 Å²	84.8	61%	0.608	42%	0.415	S	S	*	.	H	α-helix	trans	-68.6	-38	179.6	-169.3	-95.7	0	0	0	112.7	Q256 M257 Y258 S263	Q256-Y260 PolarHBondContact O-N 3.3Å; M257-Y260 PolarHBondContact O-N 3.37Å; Y258-Y260 VanDerWaalsContact C-N 3.27Å; Y258-Y260 PolarHBondContact O-N 3.03Å; Y260-S263 WeakPolarHBondContact O-CB 3.46Å; Y260-S263 PolarHBondContact O-N 3.39Å
261	R	45.6	Very low	51.1	Low	128 Å²	128	80.9 Å²	80.9	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-84.7	-19.7	-179.3	-160.6	179	-171.1	137.7	5.8	114.6	V241 M257 Y258 S263	V241-R261 VanDerWaalsContact CG1-CZ 3.45Å; V241-R261 PolarHBondContact O-NH1 2.97Å; M257-R261 PolarHBondContact O-N 2.97Å; Y258-R261 PolarHBondContact O-N 2.75Å; R261-S263 PolarHBondContact O-N 2.89Å
262	A	41.5	Very low	52.5	Low	4 Å²	4	75.5 Å²	75.5	3%	0.033	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	1.1	166.1	0	0	0	0	0	112.8	H238 Y258 Y264 Y283	H238-A262 WeakPolarHBondContact CE1-CB 3.34Å; H238-A262 WeakPolarHBondContact ND1-CB 3.22Å; Y258-A262 PolarHBondContact O-N 3.47Å; A262-Y264 PolarHBondContact O-N 3.41Å; A262-Y283 HydrophobicContact CB-CE2 4.48Å; A262-Y283 WeakPolarHBondContact CB-OH 3.43Å; A262-Y283 PolarHBondContact O-OH 3.49Å
263	S	41.5	Very low	53.8	Low	37 Å²	37	77.1 Å²	77.1	26%	0.259	38%	0.381	S	S	.	.			trans	-69.1	112.9	170	-165.6	0	0	0	0	111.7	Y260 R261 G265 K280	Y260-S263 WeakPolarHBondContact O-CB 3.46Å; Y260-S263 PolarHBondContact O-N 3.39Å; R261-S263 PolarHBondContact O-N 2.89Å; S263-G265 PolarHBondContact O-N 3.47Å; S263-K280 PolarHBondContact OG-NZ 3.07Å
264	Y	46.1	Very low	54.8	Low	50 Å²	50	81.9 Å²	81.9	20%	0.196	41%	0.414	C	S	.	.			trans	-79.1	113	165	-77.5	-84.9	0	0	0	110.1	Y165 K180 E234 A262	Y165-Y264 AromaticContact CE1-CD2 3.66Å; Y165-Y264 HydrophobicContact CE1-CD2 3.66Å; Y165-Y264 HydrophobicContact CE1-CE2 4.35Å; Y165-Y264 HydrophobicContact CE1-CG 4.07Å; Y165-Y264 WeakPolarHBondContact OH-CE2 3.46Å; K180-Y264 HydrophobicContact CD-CD1 3.85Å; K180-Y264 HydrophobicContact CD-CE1 4.13Å; E234-Y264 PolarHBondContact OE1-OH 3.23Å; A262-Y264 PolarHBondContact O-N 3.41Å
265	G	44.8	Very low	56	Low	39 Å²	39	80.3 Å²	80.3	40%	0.402	42%	0.415	S	S	.	.	S	Bend	trans	150.7	145.4	179.3	0	0	0	0	0	109.2	S263	S263-G265 PolarHBondContact O-N 3.47Å
266	N	46.5	Very low	57	Low	121 Å²	121	79.2 Å²	79.2	65%	0.647	41%	0.412	S	S	*	.			trans	-51.3	143.1	171.9	-161.5	-1.5	0	0	0	108.8	K268 C269	N266-K268 PolarHBondContact O-N 3.2Å; N266-C269 PolarHBondContact O-N 2.95Å
267	D	53.8	Low	58	Low	146 Å²	146	78.5 Å²	78.5	78%	0.781	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-3	-176.4	-68.4	-37.7	0	0	0	114.6
268	K	56	Low	59.5	Low	186 Å²	186	80.9 Å²	80.9	81%	0.809	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-0.2	-177.4	-58.1	-177.6	-179	179.8	0	114.5	N266	N266-K268 PolarHBondContact O-N 3.2Å
269	C	67.2	Low	60.8	Low	46 Å²	46	82.9 Å²	82.9	31%	0.311	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-99.5	122.3	-177.7	-153.3	0	0	0	0	113.4	C171 N266	C171-C269 HydrophobicContact CB-CB 3.73Å; C171-C269 WeakPolarHBondContact CB-SG 3.43Å; C171-C269 WeakPolarHBondContact SG-CB 3.42Å; C171-C269 CovalentContact SG-SG 2.01Å; C171-C269 PolarHBondContact SG-SG 3.22Å; N266-C269 PolarHBondContact O-N 2.95Å
270	E	66.3	Low	61.7	Low	181 Å²	181	82.9 Å²	82.9	85%	0.846	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-82.7	141.1	174.1	-67.7	-172.8	161.8	0	0	111.1
271	C	73.3	Confident	63	Low	35 Å²	35	78.7 Å²	78.7	24%	0.236	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-72.5	140.7	179.1	-150.6	0	0	0	0	111.2	Y168 H273 C276	Y168-C271 HydrophobicContact CE1-CB 3.93Å; Y168-C271 HydrophobicContact CE2-CB 4.45Å; Y168-C271 VanDerWaalsContact CZ-SG 3.57Å; C271-H273 VanDerWaalsContact C-N 3.26Å; C271-H273 PolarHBondContact O-N 3.04Å; C271-C276 HydrophobicContact CB-CB 3.63Å; C271-C276 WeakPolarHBondContact CB-SG 3.31Å; C271-C276 WeakPolarHBondContact SG-CB 3.4Å; C271-C276 CovalentContact SG-SG 2.02Å; C271-C276 PolarHBondContact SG-SG 3Å
272	S	71.4	Confident	64.6	Low	64 Å²	64	73.9 Å²	73.9	45%	0.448	41%	0.413	S	S	.	.	S	Bend	trans	-66.4	-23.2	-179.4	-165.6	0	0	0	0	114.1	G167	G167-S272 WeakPolarHBondContact O-CB 3.28Å; G167-S272 PolarHBondContact O-N 3.34Å
273	H	73.3	Confident	66.3	Low	121 Å²	121	74.8 Å²	74.8	56%	0.56	42%	0.416	S	S	*	.	S	Bend	trans	-122.9	147.6	-176.8	-63.4	-70	0	0	0	112.6	C271 S275 C276	C271-H273 VanDerWaalsContact C-N 3.26Å; C271-H273 PolarHBondContact O-N 3.04Å; H273-S275 PolarHBondContact O-N 2.86Å; H273-C276 PolarHBondContact O-SG 3.45Å
274	S	70.7	Confident	68	Low	118 Å²	118	74.6 Å²	74.6	83%	0.825	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	177.9	55.3	0	0	0	0	114.1
275	S	77.3	Confident	69.5	Low	45 Å²	45	75.2 Å²	75.2	32%	0.315	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.7	-175.7	-52.4	0	0	0	0	114.9	H273 S277 I278 F279	H273-S275 PolarHBondContact O-N 2.86Å; S275-S277 VanDerWaalsContact C-N 3.29Å; S275-S277 PolarHBondContact O-N 3.5Å; S275-I278 PolarHBondContact O-N 3.36Å; S275-I278 VanDerWaalsContact O-N 3.13Å; S275-F279 WeakPolarHBondContact O-CD2 3.23Å; S275-F279 PolarHBondContact O-N 2.81Å; S275-F279 VanDerWaalsContact O-N 3.13Å
276	C	72.4	Confident	71.4	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-33.7	-175.8	-58.9	0	0	0	0	113.2	C271 H273 K280	C271-C276 HydrophobicContact CB-CB 3.63Å; C271-C276 WeakPolarHBondContact CB-SG 3.31Å; C271-C276 WeakPolarHBondContact SG-CB 3.4Å; C271-C276 CovalentContact SG-SG 2.02Å; C271-C276 PolarHBondContact SG-SG 3Å; H273-C276 PolarHBondContact O-SG 3.45Å; C276-K280 WeakPolarHBondContact O-CB 3.25Å; C276-K280 VanDerWaalsContact O-CG 3.23Å; C276-K280 WeakPolarHBondContact O-CG 3.12Å; C276-K280 PolarHBondContact O-N 2.99Å
277	S	71.9	Confident	72.9	Confident	69 Å²	69	69.5 Å²	69.5	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-40.9	174.1	51.5	0	0	0	0	112.1	S275 K280 D281	S275-S277 VanDerWaalsContact C-N 3.29Å; S275-S277 PolarHBondContact O-N 3.5Å; S277-K280 WeakPolarHBondContact O-CB 3.33Å; S277-K280 PolarHBondContact O-N 3.49Å; S277-D281 PolarHBondContact O-N 2.99Å
278	I	80.4	Confident	74.2	Confident	107 Å²	107	63 Å²	63	55%	0.549	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-44.2	179.1	-60.1	171.3	0	0	0	110.5	S275 K280 D281 A282	S275-I278 PolarHBondContact O-N 3.36Å; S275-I278 VanDerWaalsContact O-N 3.13Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.11Å; I278-D281 PolarHBondContact O-N 3.46Å; I278-A282 VanDerWaalsContact O-CB 3.28Å; I278-A282 WeakPolarHBondContact O-CB 3.48Å; I278-A282 PolarHBondContact O-N 2.96Å
279	F	79.5	Confident	75.6	Confident	63 Å²	63	54.3 Å²	54.3	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-35.7	175.9	-64.5	-54.9	0	0	0	111.9	F160 A163 S275 A282 Y283	F160-F279 AromaticContact CD1-CD1 3.75Å; F160-F279 HydrophobicContact CD1-CD1 3.75Å; F160-F279 HydrophobicContact CD1-CE1 4.05Å; F160-F279 HydrophobicContact CE1-CD1 4.32Å; F160-F279 HydrophobicContact CE1-CE1 4.31Å; F160-F279 HydrophobicContact CG-CD1 4.33Å; A163-F279 HydrophobicContact CB-CD1 4.31Å; A163-F279 HydrophobicContact CB-CD2 4.25Å; A163-F279 HydrophobicContact CB-CE1 4.36Å; A163-F279 HydrophobicContact CB-CE2 4.3Å; A163-F279 HydrophobicContact CB-CG 4.27Å; A163-F279 HydrophobicContact CB-CZ 4.36Å; S275-F279 WeakPolarHBondContact O-CD2 3.23Å; S275-F279 PolarHBondContact O-N 2.81Å; S275-F279 VanDerWaalsContact O-N 3.13Å; F279-A282 PolarHBondContact O-N 3.27Å; F279-Y283 WeakPolarHBondContact O-CD1 3.39Å; F279-Y283 PolarHBondContact O-N 3.45Å
280	K	70.5	Confident	76.7	Confident	19 Å²	19	52.1 Å²	52.1	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-48.9	174.6	-78.9	174.2	173.2	-172.8	0	112.9	Y168 I259 S263 C276 S277 I278 Y283 Y284	Y168-K280 WeakPolarHBondContact OH-CE 3.33Å; Y168-K280 PolarHBondContact OH-NZ 3.37Å; I259-K280 HydrophobicContact CG2-CB 4.15Å; S263-K280 PolarHBondContact OG-NZ 3.07Å; C276-K280 WeakPolarHBondContact O-CB 3.25Å; C276-K280 VanDerWaalsContact O-CG 3.23Å; C276-K280 WeakPolarHBondContact O-CG 3.12Å; C276-K280 PolarHBondContact O-N 2.99Å; S277-K280 WeakPolarHBondContact O-CB 3.33Å; S277-K280 PolarHBondContact O-N 3.49Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.11Å; K280-Y283 HydrophobicContact CB-CE1 4.02Å; K280-Y283 HydrophobicContact CG-CE1 3.85Å; K280-Y283 WeakPolarHBondContact O-CD1 3.25Å; K280-Y284 WeakPolarHBondContact O-CB 3.44Å; K280-Y284 PolarHBondContact O-N 2.8Å
281	D	73.1	Confident	77.7	Confident	68 Å²	68	43.5 Å²	43.5	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-48.8	175.5	-68.3	-9.3	0	0	0	110	I259 S277 I278 Y283 Y284 Y285	I259-D281 VanDerWaalsContact CG2-OD1 3.27Å; I259-D281 WeakPolarHBondContact CG2-OD1 3.25Å; S277-D281 PolarHBondContact O-N 2.99Å; I278-D281 PolarHBondContact O-N 3.46Å; D281-Y283 PolarHBondContact O-N 2.84Å; D281-Y284 WeakPolarHBondContact O-CB 3.37Å; D281-Y284 PolarHBondContact O-N 3.46Å; D281-Y285 WeakPolarHBondContact O-CD2 3.5Å; D281-Y285 PolarHBondContact O-N 2.83Å
282	A	80.1	Confident	78.4	Confident	26 Å²	26	42 Å²	42	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-44.8	-175.3	0	0	0	0	0	113.4	F160 I278 F279 Y284 Y285 L286	F160-A282 HydrophobicContact CD2-CB 3.63Å; F160-A282 HydrophobicContact CE2-CB 3.78Å; F160-A282 HydrophobicContact CG-CB 4.31Å; I278-A282 VanDerWaalsContact O-CB 3.28Å; I278-A282 WeakPolarHBondContact O-CB 3.48Å; I278-A282 PolarHBondContact O-N 2.96Å; F279-A282 PolarHBondContact O-N 3.27Å; A282-Y284 VanDerWaalsContact C-N 3.32Å; A282-Y284 PolarHBondContact O-N 3.45Å; A282-Y285 PolarHBondContact O-N 2.74Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.47Å
283	Y	77.1	Confident	79.4	Confident	23 Å²	23	39 Å²	39	9%	0.09	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-33.4	177.7	81.6	-113	0	0	0	111.6	A262 F279 K280 D281 Y285 L286 Y287	A262-Y283 HydrophobicContact CB-CE2 4.48Å; A262-Y283 WeakPolarHBondContact CB-OH 3.43Å; A262-Y283 PolarHBondContact O-OH 3.49Å; F279-Y283 WeakPolarHBondContact O-CD1 3.39Å; F279-Y283 PolarHBondContact O-N 3.45Å; K280-Y283 HydrophobicContact CB-CE1 4.02Å; K280-Y283 HydrophobicContact CG-CE1 3.85Å; K280-Y283 WeakPolarHBondContact O-CD1 3.25Å; D281-Y283 PolarHBondContact O-N 2.84Å; Y283-Y285 PolarHBondContact O-N 2.9Å; Y283-L286 PolarHBondContact O-N 3.41Å; Y283-L286 VanDerWaalsContact O-N 3.15Å; Y283-Y287 PolarHBondContact O-N 3.19Å
284	Y	76.5	Confident	80.4	Confident	34 Å²	34	33.2 Å²	33.2	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-43	178.1	176.4	-94.8	0	0	0	111.7	R255 I259 K280 D281 A282 L286 Y287	R255-Y284 HydrophobicContact CG-CE1 4.49Å; I259-Y284 HydrophobicContact CD1-CD1 4.46Å; I259-Y284 HydrophobicContact CG1-CD1 4.31Å; I259-Y284 HydrophobicContact CG1-CD2 4.45Å; I259-Y284 HydrophobicContact CG1-CG 4.17Å; K280-Y284 WeakPolarHBondContact O-CB 3.44Å; K280-Y284 PolarHBondContact O-N 2.8Å; D281-Y284 WeakPolarHBondContact O-CB 3.37Å; D281-Y284 PolarHBondContact O-N 3.46Å; A282-Y284 VanDerWaalsContact C-N 3.32Å; A282-Y284 PolarHBondContact O-N 3.45Å; Y284-L286 VanDerWaalsContact C-N 3.29Å; Y284-L286 PolarHBondContact O-N 2.9Å; Y284-Y287 WeakPolarHBondContact O-CB 3.37Å; Y284-Y287 PolarHBondContact O-N 3.49Å
285	Y	77.9	Confident	81.3	Confident	62 Å²	62	28.2 Å²	28.2	24%	0.243	15%	0.15	C	C	.	.	H	α-helix	trans	-67.3	-28.9	174.8	-75.6	-80.2	0	0	0	113.6	R255 D281 A282 Y283 P288 K353	R255-Y285 PolarHBondContact NH2-OH 2.87Å; D281-Y285 WeakPolarHBondContact O-CD2 3.5Å; D281-Y285 PolarHBondContact O-N 2.83Å; A282-Y285 PolarHBondContact O-N 2.74Å; Y283-Y285 PolarHBondContact O-N 2.9Å; Y285-P288 WeakPolarHBondContact O-CD 3.44Å; Y285-K353 WeakPolarHBondContact OH-CE 3.48Å; Y285-K353 PolarHBondContact OH-NZ 2.85Å
286	L	83.4	Confident	81.8	Confident	24 Å²	24	26.1 Å²	26.1	13%	0.126	14%	0.135	C	C	.	.	H	α-helix	trans	-87.1	-12.8	-178.1	-68	172.7	0	0	0	113.4	L153 I156 M157 F160 A282 Y283 Y284 P288 F289	L153-L286 HydrophobicContact CD2-CD2 4.14Å; I156-L286 HydrophobicContact CB-CD1 4.34Å; I156-L286 HydrophobicContact CG2-CD1 3.71Å; M157-L286 HydrophobicContact CB-CB 3.78Å; M157-L286 HydrophobicContact CB-CD1 4.3Å; M157-L286 HydrophobicContact CG-CB 3.96Å; F160-L286 HydrophobicContact CD2-CD1 3.75Å; F160-L286 HydrophobicContact CE2-CD1 3.75Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.47Å; Y283-L286 PolarHBondContact O-N 3.41Å; Y283-L286 VanDerWaalsContact O-N 3.15Å; Y284-L286 VanDerWaalsContact C-N 3.29Å; Y284-L286 PolarHBondContact O-N 2.9Å; L286-P288 VanDerWaalsContact C-CD 3.46Å; L286-F289 HydrophobicContact CB-CD2 4.3Å; L286-F289 HydrophobicContact CD2-CD2 3.65Å; L286-F289 HydrophobicContact CD2-CE2 3.79Å; L286-F289 WeakPolarHBondContact O-CB 3.41Å; L286-F289 WeakPolarHBondContact O-CD2 3.35Å; L286-F289 PolarHBondContact O-N 2.9Å
287	Y	77.9	Confident	82.8	Confident	16 Å²	16	25.8 Å²	25.8	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-51.8	-46.4	-178.6	-158.8	-92.5	0	0	0	114.2	M157 E231 E234 E235 Y283 Y284 F289 N290 I291	M157-Y287 HydrophobicContact SD-CD2 4.12Å; E231-Y287 WeakPolarHBondContact CA-OH 3.5Å; E231-Y287 HydrophobicContact CB-CE1 4.03Å; E231-Y287 VanDerWaalsContact O-CE1 3.31Å; E231-Y287 WeakPolarHBondContact O-CE1 3.33Å; E231-Y287 PolarHBondContact O-OH 3.31Å; E231-Y287 VanDerWaalsContact OE2-CE2 3.25Å; E231-Y287 WeakPolarHBondContact OE2-CE2 3.5Å; E231-Y287 PolarHBondContact OE2-OH 2.94Å; E234-Y287 WeakPolarHBondContact CB-OH 3.16Å; E234-Y287 PolarHBondContact OE2-OH 3.4Å; E235-Y287 HydrophobicContact CB-CD1 4.14Å; E235-Y287 HydrophobicContact CB-CE1 3.72Å; Y283-Y287 PolarHBondContact O-N 3.19Å; Y284-Y287 WeakPolarHBondContact O-CB 3.37Å; Y284-Y287 PolarHBondContact O-N 3.49Å; Y287-F289 PolarHBondContact O-N 3.21Å; Y287-F289 VanDerWaalsContact O-N 3.14Å; Y287-N290 PolarHBondContact O-N 3.21Å; Y287-N290 VanDerWaalsContact O-N 3.13Å; Y287-I291 HydrophobicContact CD1-CD1 3.95Å; Y287-I291 HydrophobicContact CD1-CG1 4.37Å; Y287-I291 HydrophobicContact CE1-CD1 3.97Å; Y287-I291 HydrophobicContact CE1-CG1 4.33Å; Y287-I291 PolarHBondContact O-N 2.98Å
288	P	81.9	Confident	83.8	Confident	9 Å²	9	23 Å²	23	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-28	179.3	-23.4	36	0	0	0	113.5	Y285 L286 N290 I291 E292	Y285-P288 WeakPolarHBondContact O-CD 3.44Å; L286-P288 VanDerWaalsContact C-CD 3.46Å; P288-N290 VanDerWaalsContact C-N 3.34Å; P288-N290 PolarHBondContact O-N 3.49Å; P288-I291 WeakPolarHBondContact O-CB 3.43Å; P288-I291 PolarHBondContact O-N 2.93Å; P288-E292 WeakPolarHBondContact O-CG 3.28Å; P288-E292 PolarHBondContact O-N 3.19Å
289	F	85.8	Confident	84.2	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-70.7	-30	-180	-57.7	-58.5	0	0	0	112.9	F150 L153 L286 Y287 E292 Y293 A548 F549	F150-F289 HydrophobicContact CD1-CB 4.17Å; F150-F289 AromaticContact CD1-CD1 3.78Å; F150-F289 HydrophobicContact CD1-CD1 3.78Å; F150-F289 HydrophobicContact CD1-CG 4.39Å; F150-F289 AromaticContact CE1-CD1 3.75Å; F150-F289 HydrophobicContact CE1-CD1 3.75Å; F150-F289 HydrophobicContact CE1-CE1 4.36Å; L153-F289 HydrophobicContact CB-CB 3.9Å; L153-F289 HydrophobicContact CB-CD2 4.2Å; L153-F289 HydrophobicContact CB-CG 4.13Å; L153-F289 HydrophobicContact CD1-CB 4.26Å; L153-F289 HydrophobicContact CD1-CD1 3.85Å; L153-F289 HydrophobicContact CD1-CD2 3.96Å; L153-F289 HydrophobicContact CD1-CE1 4.14Å; L153-F289 HydrophobicContact CD1-CE2 4.29Å; L153-F289 HydrophobicContact CD1-CG 3.75Å; L153-F289 HydrophobicContact CD1-CZ 4.37Å; L286-F289 HydrophobicContact CB-CD2 4.3Å; L286-F289 HydrophobicContact CD2-CD2 3.65Å; L286-F289 HydrophobicContact CD2-CE2 3.79Å; L286-F289 WeakPolarHBondContact O-CB 3.41Å; L286-F289 WeakPolarHBondContact O-CD2 3.35Å; L286-F289 PolarHBondContact O-N 2.9Å; Y287-F289 PolarHBondContact O-N 3.21Å; Y287-F289 VanDerWaalsContact O-N 3.14Å; F289-E292 PolarHBondContact O-N 3.21Å; F289-Y293 WeakPolarHBondContact O-CB 3.23Å; F289-Y293 PolarHBondContact O-N 3.47Å; F289-A548 HydrophobicContact CE1-CB 4.18Å; F289-F549 HydrophobicContact CZ-CD1 4.37Å; F289-F549 HydrophobicContact CZ-CE1 4.09Å; F289-F549 HydrophobicContact CZ-CE2 4.35Å; F289-F549 HydrophobicContact CZ-CZ 4.07Å
290	N	88.9	Confident	84.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.9	-40	172.4	-170.6	36.7	0	0	0	111.1	S154 M157 Q187 E231 Y287 P288 Y293 C294	S154-N290 VanDerWaalsContact OG-CA 3.31Å; S154-N290 WeakPolarHBondContact OG-CA 3.31Å; M157-N290 HydrophobicContact CE-CB 3.69Å; M157-N290 HydrophobicContact SD-CB 3.95Å; Q187-N290 PolarHBondContact NE2-ND2 3.27Å; Q187-N290 VanDerWaalsContact NE2-ND2 3.19Å; Q187-N290 PolarHBondContact NE2-OD1 2.99Å; E231-N290 PolarHBondContact OE2-ND2 3.12Å; Y287-N290 PolarHBondContact O-N 3.21Å; Y287-N290 VanDerWaalsContact O-N 3.13Å; P288-N290 VanDerWaalsContact C-N 3.34Å; P288-N290 PolarHBondContact O-N 3.49Å; N290-Y293 PolarHBondContact O-N 3.09Å; N290-C294 PolarHBondContact O-N 2.87Å; N290-C294 VanDerWaalsContact O-N 3.12Å; N290-C294 PolarHBondContact O-SG 3.43Å
291	I	88	Confident	85.6	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-47.7	174.1	-57.4	179	0	0	0	110.3	E231 V232 Y287 P288 C294 L295 P578	E231-I291 HydrophobicContact CB-CG1 3.95Å; V232-I291 HydrophobicContact CG2-CD1 4.29Å; V232-I291 HydrophobicContact CG2-CG2 4.03Å; Y287-I291 HydrophobicContact CD1-CD1 3.95Å; Y287-I291 HydrophobicContact CD1-CG1 4.37Å; Y287-I291 HydrophobicContact CE1-CD1 3.97Å; Y287-I291 HydrophobicContact CE1-CG1 4.33Å; Y287-I291 PolarHBondContact O-N 2.98Å; P288-I291 WeakPolarHBondContact O-CB 3.43Å; P288-I291 PolarHBondContact O-N 2.93Å; I291-C294 PolarHBondContact O-N 3.44Å; I291-L295 PolarHBondContact O-N 2.79Å; I291-P578 HydrophobicContact CG2-CB 3.58Å; I291-P578 HydrophobicContact CG2-CG 3.6Å
292	E	88.3	Confident	86.4	Confident	3 Å²	3	14.1 Å²	14.1	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-62.7	-44.9	176.8	-69.1	-54.6	137.8	0	0	112.3	F150 P288 F289 C294 L295 F296 P578 I581	F150-E292 HydrophobicContact CD1-CB 4.15Å; F150-E292 HydrophobicContact CD2-CB 4.28Å; F150-E292 HydrophobicContact CE1-CB 4.15Å; F150-E292 HydrophobicContact CE1-CG 4.45Å; F150-E292 HydrophobicContact CE2-CB 4.27Å; F150-E292 HydrophobicContact CG-CB 4.22Å; F150-E292 HydrophobicContact CZ-CB 4.2Å; F150-E292 HydrophobicContact CZ-CG 4.5Å; P288-E292 WeakPolarHBondContact O-CG 3.28Å; P288-E292 PolarHBondContact O-N 3.19Å; F289-E292 PolarHBondContact O-N 3.21Å; E292-C294 VanDerWaalsContact C-N 3.26Å; E292-C294 PolarHBondContact O-N 3.31Å; E292-L295 PolarHBondContact O-N 2.93Å; E292-L295 VanDerWaalsContact O-N 3.1Å; E292-F296 WeakPolarHBondContact O-CD2 3.49Å; E292-F296 PolarHBondContact O-N 3.49Å; E292-P578 VanDerWaalsContact OE1-CA 3.31Å; E292-P578 WeakPolarHBondContact OE1-CA 3.27Å; E292-P578 VanDerWaalsContact OE1-O 3.09Å; E292-I581 VanDerWaalsContact CD-CG2 3.43Å; E292-I581 HydrophobicContact CG-CG2 3.91Å; E292-I581 VanDerWaalsContact OE1-CB 3.29Å; E292-I581 WeakPolarHBondContact OE1-CB 2.88Å; E292-I581 WeakPolarHBondContact OE1-CG2 3.48Å
293	Y	92.6	Very high	86.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-53.9	-45	177.4	175.3	-96.5	0	0	0	111.6	L147 F150 G151 I191 Q194 T195 F289 N290 L295 F296 A297	L147-Y293 HydrophobicContact CD1-CD2 3.82Å; L147-Y293 HydrophobicContact CD1-CE2 3.38Å; L147-Y293 HydrophobicContact CG-CE2 4.13Å; F150-Y293 HydrophobicContact CB-CD2 4.31Å; G151-Y293 VanDerWaalsContact CA-CD2 3.43Å; I191-Y293 HydrophobicContact CB-CE1 4.46Å; I191-Y293 HydrophobicContact CG1-CD1 4.48Å; I191-Y293 HydrophobicContact CG1-CE1 3.95Å; I191-Y293 HydrophobicContact CG2-CE1 4.17Å; I191-Y293 HydrophobicContact CG2-CE2 4.19Å; I191-Y293 PolarHBondContact O-OH 3.4Å; Q194-Y293 VanDerWaalsContact OE1-CZ 3.31Å; Q194-Y293 PolarHBondContact OE1-OH 3.39Å; T195-Y293 WeakPolarHBondContact OG1-CE2 3.43Å; T195-Y293 PolarHBondContact OG1-OH 3.44Å; F289-Y293 WeakPolarHBondContact O-CB 3.23Å; F289-Y293 PolarHBondContact O-N 3.47Å; N290-Y293 PolarHBondContact O-N 3.09Å; Y293-L295 PolarHBondContact O-N 3.48Å; Y293-F296 PolarHBondContact O-N 2.96Å; Y293-A297 WeakPolarHBondContact O-CB 3.39Å; Y293-A297 PolarHBondContact O-N 3.08Å
294	C	93.4	Very high	87.1	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-41.2	178.3	-64.8	0	0	0	0	112.6	L227 W228 N290 I291 E292 S298	L227-C294 WeakPolarHBondContact CD2-SG 3.28Å; W228-C294 HydrophobicContact CB-CB 3.86Å; N290-C294 PolarHBondContact O-N 2.87Å; N290-C294 VanDerWaalsContact O-N 3.12Å; N290-C294 PolarHBondContact O-SG 3.43Å; I291-C294 PolarHBondContact O-N 3.44Å; E292-C294 VanDerWaalsContact C-N 3.26Å; E292-C294 PolarHBondContact O-N 3.31Å; C294-S298 WeakPolarHBondContact O-CB 3.37Å; C294-S298 PolarHBondContact O-N 3.45Å; C294-S298 PolarHBondContact O-OG 3.4Å
295	L	90.1	Very high	87.7	Confident	14 Å²	14	12 Å²	12	7%	0.073	6%	0.057	C	C	.	.	H	α-helix	trans	-66.3	-44.2	176.9	-70.1	178.2	0	0	0	111.6	W228 I291 E292 Y293 S298 A299 P578 F579 F582	W228-L295 HydrophobicContact CD2-CD2 4.2Å; W228-L295 HydrophobicContact CG-CD2 4.07Å; W228-L295 HydrophobicContact CG-CG 4.4Å; I291-L295 PolarHBondContact O-N 2.79Å; E292-L295 PolarHBondContact O-N 2.93Å; E292-L295 VanDerWaalsContact O-N 3.1Å; Y293-L295 PolarHBondContact O-N 3.48Å; L295-S298 PolarHBondContact O-N 3.28Å; L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.87Å; L295-P578 HydrophobicContact CD1-CB 4Å; L295-F579 HydrophobicContact CD2-CE1 4.21Å; L295-F579 HydrophobicContact CD2-CZ 4.47Å; L295-F582 HydrophobicContact CB-CD2 4.27Å; L295-F582 HydrophobicContact CD1-CB 4.34Å
296	F	89	Confident	88	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.6	-48.5	175.5	-92	-91.4	0	0	0	112	W142 L143 F150 E292 Y293 S298 A299 M300 F582 M585	W142-F296 HydrophobicContact CE3-CE1 4.46Å; W142-F296 AromaticContact CZ3-CE1 3.86Å; W142-F296 HydrophobicContact CZ3-CE1 3.86Å; W142-F296 HydrophobicContact CZ3-CZ 4.28Å; L143-F296 HydrophobicContact CD2-CD1 4.31Å; L143-F296 HydrophobicContact CG-CD1 4.12Å; L143-F296 HydrophobicContact CG-CE1 4.23Å; F150-F296 AromaticContact CD2-CD2 3.95Å; F150-F296 HydrophobicContact CD2-CD2 3.95Å; F150-F296 HydrophobicContact CD2-CE2 4.14Å; F150-F296 HydrophobicContact CD2-CG 4.49Å; F150-F296 AromaticContact CE2-CD2 3.84Å; F150-F296 HydrophobicContact CE2-CD2 3.84Å; F150-F296 AromaticContact CE2-CE2 3.55Å; F150-F296 HydrophobicContact CE2-CE2 3.55Å; F150-F296 HydrophobicContact CE2-CZ 4.16Å; F150-F296 HydrophobicContact CZ-CE2 4.49Å; E292-F296 WeakPolarHBondContact O-CD2 3.49Å; E292-F296 PolarHBondContact O-N 3.49Å; Y293-F296 PolarHBondContact O-N 2.96Å; F296-S298 VanDerWaalsContact C-N 3.31Å; F296-S298 PolarHBondContact O-N 2.7Å; F296-A299 PolarHBondContact O-N 3.11Å; F296-M300 WeakPolarHBondContact O-CE 3.46Å; F296-M300 PolarHBondContact O-N 2.87Å; F296-F582 HydrophobicContact CD1-CE2 4.21Å; F296-F582 AromaticContact CD2-CD2 3.68Å; F296-F582 HydrophobicContact CD2-CD2 3.68Å; F296-F582 AromaticContact CD2-CE2 3.72Å; F296-F582 HydrophobicContact CD2-CE2 3.72Å; F296-F582 HydrophobicContact CE1-CE2 4.1Å; F296-F582 AromaticContact CE2-CD2 3.38Å; F296-F582 HydrophobicContact CE2-CD2 3.38Å; F296-F582 AromaticContact CE2-CE2 3.6Å; F296-F582 HydrophobicContact CE2-CE2 3.6Å; F296-F582 HydrophobicContact CG-CD2 4.43Å; F296-F582 HydrophobicContact CG-CE2 4.02Å; F296-F582 AromaticContact CZ-CD2 3.91Å; F296-F582 HydrophobicContact CZ-CD2 3.91Å; F296-F582 AromaticContact CZ-CE2 3.77Å; F296-F582 HydrophobicContact CZ-CE2 3.77Å; F296-M585 HydrophobicContact CE1-CE 4.2Å; F296-M585 HydrophobicContact CE1-SD 4.3Å; F296-M585 HydrophobicContact CE2-CE 4.48Å; F296-M585 HydrophobicContact CE2-SD 3.69Å; F296-M585 HydrophobicContact CZ-CB 4.4Å; F296-M585 HydrophobicContact CZ-CE 3.79Å; F296-M585 HydrophobicContact CZ-CG 3.89Å; F296-M585 HydrophobicContact CZ-SD 3.33Å; F296-M585 WeakPolarHBondContact CZ-SD 2.99Å
297	A	93.4	Very high	87.9	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.9	-39.5	178.6	0	0	0	0	0	111.8	L147 L198 N224 Y293 M300 A301	L147-A297 HydrophobicContact CD1-CB 4.28Å; L198-A297 HydrophobicContact CD1-CB 3.85Å; N224-A297 WeakPolarHBondContact ND2-CB 3.17Å; Y293-A297 WeakPolarHBondContact O-CB 3.39Å; Y293-A297 PolarHBondContact O-N 3.08Å; A297-M300 PolarHBondContact O-N 3.49Å; A297-A301 WeakPolarHBondContact O-CB 3.41Å; A297-A301 PolarHBondContact O-N 2.92Å
298	S	92.8	Very high	88.2	Confident	9 Å²	9	11.6 Å²	11.6	6%	0.063	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-46.6	174.2	-59.1	0	0	0	0	112.2	N224 C294 L295 F296 M300 A301 F302	N224-S298 WeakPolarHBondContact CB-OG 3.37Å; C294-S298 WeakPolarHBondContact O-CB 3.37Å; C294-S298 PolarHBondContact O-N 3.45Å; C294-S298 PolarHBondContact O-OG 3.4Å; L295-S298 PolarHBondContact O-N 3.28Å; F296-S298 VanDerWaalsContact C-N 3.31Å; F296-S298 PolarHBondContact O-N 2.7Å; S298-M300 PolarHBondContact O-N 3.36Å; S298-A301 PolarHBondContact O-N 3.14Å; S298-F302 WeakPolarHBondContact O-CB 3.41Å; S298-F302 PolarHBondContact O-N 3.41Å
299	A	88.1	Confident	87.9	Confident	8 Å²	8	12.1 Å²	12.1	7%	0.066	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-43.7	178.2	0	0	0	0	0	111.7	L295 F296 F302 V303 L411 F582	L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.87Å; F296-A299 PolarHBondContact O-N 3.11Å; A299-F302 WeakPolarHBondContact O-CB 3.36Å; A299-F302 PolarHBondContact O-N 3.37Å; A299-V303 VanDerWaalsContact O-CG2 3.28Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 3.35Å; A299-L411 HydrophobicContact CB-CD1 4.41Å; A299-L411 HydrophobicContact CB-CD2 4.39Å; A299-F582 HydrophobicContact CB-CZ 4.22Å
300	M	88.1	Confident	87.3	Confident	4 Å²	4	14.5 Å²	14.5	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-46.1	174.6	-83.5	178.4	-76	0	0	113.4	L143 L147 L198 F296 A297 S298 F302 V303 M304	L143-M300 HydrophobicContact CD2-CB 4.45Å; L143-M300 HydrophobicContact CD2-CE 3.61Å; L143-M300 HydrophobicContact CD2-CG 3.04Å; L143-M300 HydrophobicContact CD2-SD 3.24Å; L143-M300 WeakPolarHBondContact CD2-SD 3.27Å; L143-M300 HydrophobicContact CG-CG 4.44Å; L147-M300 HydrophobicContact CB-CE 3.65Å; L147-M300 HydrophobicContact CD1-CE 3.36Å; L147-M300 HydrophobicContact CD2-CE 3.51Å; L147-M300 HydrophobicContact CD2-SD 4.04Å; L147-M300 HydrophobicContact CG-CE 3.63Å; L198-M300 HydrophobicContact CB-CE 4.41Å; L198-M300 HydrophobicContact CB-SD 4.08Å; L198-M300 HydrophobicContact CD1-CB 4.29Å; L198-M300 HydrophobicContact CD1-CE 3.9Å; L198-M300 HydrophobicContact CD1-SD 4.43Å; L198-M300 HydrophobicContact CD2-CB 4.06Å; F296-M300 WeakPolarHBondContact O-CE 3.46Å; F296-M300 PolarHBondContact O-N 2.87Å; A297-M300 PolarHBondContact O-N 3.49Å; S298-M300 PolarHBondContact O-N 3.36Å; M300-F302 PolarHBondContact O-N 3.01Å; M300-V303 PolarHBondContact O-N 3.37Å; M300-M304 WeakPolarHBondContact O-CB 3.28Å; M300-M304 VanDerWaalsContact O-CG 3.3Å; M300-M304 WeakPolarHBondContact O-CG 3.33Å; M300-M304 PolarHBondContact O-N 3.17Å
301	A	91.9	Very high	86.1	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.8	-37.6	178.4	0	0	0	0	0	110.6	T220 L221 A297 S298 W305	T220-A301 HydrophobicContact CG2-CB 4.3Å; L221-A301 HydrophobicContact CB-CB 4.05Å; A297-A301 WeakPolarHBondContact O-CB 3.41Å; A297-A301 PolarHBondContact O-N 2.92Å; S298-A301 PolarHBondContact O-N 3.14Å; A301-W305 VanDerWaalsContact O-CB 3.26Å; A301-W305 WeakPolarHBondContact O-CB 3.23Å; A301-W305 PolarHBondContact O-N 3.02Å
302	F	89.6	Confident	84.6	Confident	59 Å²	59	22.6 Å²	22.6	26%	0.259	12%	0.117	S	C	.	.	H	α-helix	trans	-66.1	-47.1	174.6	-169.7	-96.2	0	0	0	113	M218 L221 S298 A299 M300 W305 K306 L407	M218-F302 HydrophobicContact CE-CD2 4.18Å; M218-F302 HydrophobicContact CE-CE2 4.47Å; L221-F302 HydrophobicContact CD1-CB 3.66Å; L221-F302 HydrophobicContact CD1-CD2 3.79Å; L221-F302 HydrophobicContact CD1-CG 4.21Å; S298-F302 WeakPolarHBondContact O-CB 3.41Å; S298-F302 PolarHBondContact O-N 3.41Å; A299-F302 WeakPolarHBondContact O-CB 3.36Å; A299-F302 PolarHBondContact O-N 3.37Å; M300-F302 PolarHBondContact O-N 3.01Å; F302-W305 HydrophobicContact CD2-CE3 4.43Å; F302-W305 HydrophobicContact CE2-CE3 4.2Å; F302-W305 HydrophobicContact CE2-CZ3 4.09Å; F302-W305 HydrophobicContact CZ-CZ3 4.44Å; F302-W305 PolarHBondContact O-N 3.39Å; F302-K306 HydrophobicContact CD1-CG 4.14Å; F302-K306 HydrophobicContact CE1-CD 4.34Å; F302-K306 HydrophobicContact CE1-CG 3.72Å; F302-K306 HydrophobicContact CZ-CD 4.38Å; F302-K306 HydrophobicContact CZ-CG 4.13Å; F302-K306 WeakPolarHBondContact O-CG 3.4Å; F302-K306 PolarHBondContact O-N 2.96Å; F302-L407 HydrophobicContact CD1-CD1 3.62Å; F302-L407 HydrophobicContact CD1-CD2 3.7Å; F302-L407 HydrophobicContact CD1-CG 4.29Å; F302-L407 HydrophobicContact CE1-CD1 3.36Å; F302-L407 HydrophobicContact CE1-CD2 3.93Å; F302-L407 HydrophobicContact CE1-CG 4.28Å
303	V	85.1	Confident	82.4	Confident	16 Å²	16	27.4 Å²	27.4	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-48.5	176.1	173.3	0	0	0	0	110.2	A299 M300 W305 K306 N307 L407	A299-V303 VanDerWaalsContact O-CG2 3.28Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 3.35Å; M300-V303 PolarHBondContact O-N 3.37Å; V303-W305 VanDerWaalsContact C-N 3.32Å; V303-W305 PolarHBondContact O-N 3.3Å; V303-K306 PolarHBondContact O-N 3Å; V303-N307 VanDerWaalsContact O-CG 3.28Å; V303-N307 PolarHBondContact O-N 3.37Å; V303-N307 VanDerWaalsContact O-N 3.08Å; V303-N307 PolarHBondContact O-ND2 3.44Å; V303-L407 HydrophobicContact CB-CD2 4.2Å; V303-L407 HydrophobicContact CG2-CD2 3.51Å; V303-L407 HydrophobicContact CG2-CG 4.43Å
304	M	86.8	Confident	79.9	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-43.3	176.6	-71.1	177.6	69.4	0	0	111.3	F197 L198 H201 L217 M300 K306 N307 V308	F197-M304 HydrophobicContact CE1-CE 3.87Å; F197-M304 HydrophobicContact CE1-SD 4.29Å; F197-M304 HydrophobicContact CZ-CE 3.9Å; L198-M304 HydrophobicContact CD2-SD 3.63Å; H201-M304 HydrophobicContact CB-CE 4.03Å; H201-M304 VanDerWaalsContact O-CE 3.24Å; H201-M304 WeakPolarHBondContact O-CE 3.38Å; L217-M304 HydrophobicContact CD1-CB 3.96Å; L217-M304 HydrophobicContact CD2-CB 3.95Å; L217-M304 HydrophobicContact CD2-CE 3.98Å; L217-M304 HydrophobicContact CD2-SD 4.26Å; M300-M304 WeakPolarHBondContact O-CB 3.28Å; M300-M304 VanDerWaalsContact O-CG 3.3Å; M300-M304 WeakPolarHBondContact O-CG 3.33Å; M300-M304 PolarHBondContact O-N 3.17Å; M304-K306 PolarHBondContact O-N 3.36Å; M304-N307 PolarHBondContact O-N 2.9Å; M304-N307 VanDerWaalsContact O-N 3.14Å; M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 2.98Å
305	W	88.7	Confident	77.5	Confident	16 Å²	16	40.1 Å²	40.1	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-42.4	179.3	175.2	89.9	0	0	0	112.2	W70 S73 L217 M218 A301 F302 V303 N307 V308	W70-W305 AromaticContact CD2-CH2 3.89Å; W70-W305 HydrophobicContact CD2-CH2 3.89Å; W70-W305 AromaticContact CD2-CZ2 3.75Å; W70-W305 HydrophobicContact CD2-CZ2 3.75Å; W70-W305 AromaticContact CE3-CH2 3.12Å; W70-W305 HydrophobicContact CE3-CH2 3.12Å; W70-W305 AromaticContact CE3-CZ2 3.46Å; W70-W305 HydrophobicContact CE3-CZ2 3.46Å; W70-W305 VanDerWaalsContact CE3-CZ2 3.46Å; W70-W305 AromaticContact CE3-CZ3 3.94Å; W70-W305 HydrophobicContact CE3-CZ3 3.94Å; W70-W305 HydrophobicContact CG-CZ2 4.33Å; W70-W305 HydrophobicContact CH2-CE3 4.44Å; W70-W305 AromaticContact CH2-CH2 3.9Å; W70-W305 HydrophobicContact CH2-CH2 3.9Å; W70-W305 HydrophobicContact CH2-CZ2 4.49Å; W70-W305 AromaticContact CH2-CZ3 3.86Å; W70-W305 HydrophobicContact CH2-CZ3 3.86Å; W70-W305 HydrophobicContact CZ3-CE3 4.41Å; W70-W305 AromaticContact CZ3-CH2 3.13Å; W70-W305 HydrophobicContact CZ3-CH2 3.13Å; W70-W305 AromaticContact CZ3-CZ2 3.88Å; W70-W305 HydrophobicContact CZ3-CZ2 3.88Å; W70-W305 AromaticContact CZ3-CZ3 3.46Å; W70-W305 HydrophobicContact CZ3-CZ3 3.46Å; W70-W305 VanDerWaalsContact CZ3-CZ3 3.46Å; S73-W305 PolarHBondContact OG-NE1 3.36Å; L217-W305 HydrophobicContact CB-CB 4.04Å; L217-W305 HydrophobicContact CD1-CB 4.18Å; M218-W305 HydrophobicContact CE-CB 4.06Å; M218-W305 HydrophobicContact CE-CD2 3.16Å; M218-W305 VanDerWaalsContact CE-CE2 3.41Å; M218-W305 HydrophobicContact CE-CE3 3.43Å; M218-W305 VanDerWaalsContact CE-CE3 3.43Å; M218-W305 HydrophobicContact CE-CG 3.42Å; M218-W305 VanDerWaalsContact CE-CG 3.42Å; M218-W305 HydrophobicContact CE-CH2 4.09Å; M218-W305 HydrophobicContact CE-CZ2 3.9Å; M218-W305 HydrophobicContact CE-CZ3 3.88Å; M218-W305 HydrophobicContact CG-CG 4.35Å; A301-W305 VanDerWaalsContact O-CB 3.26Å; A301-W305 WeakPolarHBondContact O-CB 3.23Å; A301-W305 PolarHBondContact O-N 3.02Å; F302-W305 HydrophobicContact CD2-CE3 4.43Å; F302-W305 HydrophobicContact CE2-CE3 4.2Å; F302-W305 HydrophobicContact CE2-CZ3 4.09Å; F302-W305 HydrophobicContact CZ-CZ3 4.44Å; F302-W305 PolarHBondContact O-N 3.39Å; V303-W305 VanDerWaalsContact C-N 3.32Å; V303-W305 PolarHBondContact O-N 3.3Å; W305-N307 PolarHBondContact O-N 2.89Å; W305-V308 PolarHBondContact O-N 3.03Å
306	K	84.6	Confident	74.8	Confident	84 Å²	84	47.4 Å²	47.4	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-33.9	174.4	-77.7	-71.6	-174.7	173.5	0	112.4	W70 F302 V303 M304 V308 L407	W70-K306 HydrophobicContact CH2-CD 3.76Å; W70-K306 HydrophobicContact CZ3-CD 4.37Å; F302-K306 HydrophobicContact CD1-CG 4.14Å; F302-K306 HydrophobicContact CE1-CD 4.34Å; F302-K306 HydrophobicContact CE1-CG 3.72Å; F302-K306 HydrophobicContact CZ-CD 4.38Å; F302-K306 HydrophobicContact CZ-CG 4.13Å; F302-K306 WeakPolarHBondContact O-CG 3.4Å; F302-K306 PolarHBondContact O-N 2.96Å; V303-K306 PolarHBondContact O-N 3Å; M304-K306 PolarHBondContact O-N 3.36Å; K306-V308 VanDerWaalsContact C-N 3.35Å; K306-L407 HydrophobicContact CG-CD2 4.42Å
307	N	80.6	Confident	72.6	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-80.7	-11.5	-179.1	-69.3	-13.7	0	0	0	113.8	D135 A138 V303 M304 W305 G309 R310	D135-N307 PolarHBondContact OD2-ND2 2.71Å; A138-N307 VanDerWaalsContact CB-ND2 3.31Å; A138-N307 WeakPolarHBondContact CB-ND2 3.35Å; V303-N307 VanDerWaalsContact O-CG 3.28Å; V303-N307 PolarHBondContact O-N 3.37Å; V303-N307 VanDerWaalsContact O-N 3.08Å; V303-N307 PolarHBondContact O-ND2 3.44Å; M304-N307 PolarHBondContact O-N 2.9Å; M304-N307 VanDerWaalsContact O-N 3.14Å; W305-N307 PolarHBondContact O-N 2.89Å; N307-G309 PolarHBondContact O-N 3.17Å; N307-G309 VanDerWaalsContact O-N 3.11Å; N307-R310 WeakPolarHBondContact O-CB 3.39Å; N307-R310 PolarHBondContact O-N 3.3Å; N307-R310 VanDerWaalsContact O-N 3.1Å
308	V	85.1	Confident	70	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.03	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	116	180	179.2	0	0	0	0	111.9	V206 K210 R214 L217 M304 W305 K306	V206-V308 HydrophobicContact CB-CG1 4.36Å; K210-V308 HydrophobicContact CB-CG1 4.03Å; K210-V308 HydrophobicContact CG-CG1 4.25Å; R214-V308 HydrophobicContact CG-CB 4.07Å; R214-V308 HydrophobicContact CG-CG1 3.95Å; R214-V308 HydrophobicContact CG-CG2 4.37Å; R214-V308 PolarHBondContact NH2-O 3.41Å; R214-V308 VanDerWaalsContact NH2-O 3.08Å; L217-V308 HydrophobicContact CD1-CG2 3.68Å; M304-V308 WeakPolarHBondContact O-CG2 3.47Å; M304-V308 PolarHBondContact O-N 2.98Å; W305-V308 PolarHBondContact O-N 3.03Å; K306-V308 VanDerWaalsContact C-N 3.35Å
309	G	75.1	Confident	67.4	Low	20 Å²	20	67.3 Å²	67.3	21%	0.206	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	7.7	178.7	0	0	0	0	0	114.8	V206 Q207 N307	V206-G309 PolarHBondContact O-N 3.3Å; Q207-G309 PolarHBondContact NE2-O 3.47Å; N307-G309 PolarHBondContact O-N 3.17Å; N307-G309 VanDerWaalsContact O-N 3.11Å
310	R	72.5	Confident	65.7	Low	54 Å²	54	70.7 Å²	70.7	20%	0.204	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-78.2	127.4	174.3	-163.6	178.9	75.3	76.3	0.2	110.4	D135 Q207 N307 E312	D135-R310 IonicContact OD1-NH2 2.62Å; D135-R310 IonicContact OD2-CZ 3.48Å; D135-R310 IonicContact OD2-NE 3.31Å; D135-R310 IonicContact OD2-NH2 2.81Å; D135-R310 PolarHBondContact OD2-NH2 3.14Å; Q207-R310 PolarHBondContact NE2-O 3.04Å; N307-R310 WeakPolarHBondContact O-CB 3.39Å; N307-R310 PolarHBondContact O-N 3.3Å; N307-R310 VanDerWaalsContact O-N 3.1Å; R310-E312 IonicContact CZ-OE2 3.53Å; R310-E312 IonicContact NH1-OE2 3Å; R310-E312 IonicContact NH2-OE1 3.07Å; R310-E312 IonicContact NH2-OE2 3.05Å; R310-E312 PolarHBondContact NH2-OE2 3.36Å
311	V	64	Low	63.6	Low	106 Å²	106	81 Å²	81	64%	0.642	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-99.9	123	170.8	-176.9	0	0	0	0	106.3
312	E	57.2	Low	61.7	Low	65 Å²	65	86.3 Å²	86.3	30%	0.304	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-92.4	132.6	176.7	-167.3	163.6	-171.9	0	0	109	H137 R310	H137-E312 IonicContact ND1-OE1 3.94Å; R310-E312 IonicContact CZ-OE2 3.53Å; R310-E312 IonicContact NH1-OE2 3Å; R310-E312 IonicContact NH2-OE1 3.07Å; R310-E312 IonicContact NH2-OE2 3.05Å; R310-E312 PolarHBondContact NH2-OE2 3.36Å
313	S	42.8	Very low	60.1	Low	104 Å²	104	85.9 Å²	85.9	73%	0.727	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-72.7	128.3	165.3	47	0	0	0	0	108.2	S315	S313-S315 PolarHBondContact O-N 2.99Å
314	E	38.9	Very low	58.8	Low	200 Å²	200	89.6 Å²	89.6	94%	0.935	45%	0.453	S	S	*	.			trans	-51.3	109.1	174.9	-71.3	-175.8	149.1	0	0	110
315	S	43.2	Very low	57.2	Low	68 Å²	68	98 Å²	98	48%	0.476	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-96.4	126.4	166.3	60.1	0	0	0	0	108.4	S313 H317	S313-S315 PolarHBondContact O-N 2.99Å; S315-H317 PolarHBondContact O-N 3.42Å
316	N	32.7	Very low	56.1	Low	167 Å²	167	102.8 Å²	102.8	89%	0.893	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-64.2	126.7	176.4	-84.7	-30	0	0	0	109.9
317	H	42.9	Very low	55.7	Low	109 Å²	109	99.2 Å²	99.2	51%	0.505	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-82.2	144.2	-179.7	-80.9	-56.5	0	0	0	113.1	R136 S315	R136-H317 WeakPolarHBondContact CD-NE2 3.45Å; S315-H317 PolarHBondContact O-N 3.42Å
318	H	39.6	Very low	55.9	Low	152 Å²	152	104.8 Å²	104.8	70%	0.704	52%	0.522	S	S	*	.			trans	-106	138.7	149.8	-74.9	-76.2	0	0	0	110.4	V320	H318-V320 PolarHBondContact O-N 2.86Å
319	H	38.5	Very low	56	Low	166 Å²	166	109.9 Å²	109.9	77%	0.769	55%	0.548	S	S	*	.			trans	-80.4	106.1	177.3	-123.7	-82.1	0	0	0	109.5	R321	H319-R321 PolarHBondContact O-N 2.84Å
320	V	52.3	Low	56.7	Low	79 Å²	79	109.1 Å²	109.1	48%	0.479	54%	0.54	S	S	.	.			trans	-71.2	115.9	172.7	-175.8	0	0	0	0	108.6	H318 L596	H318-V320 PolarHBondContact O-N 2.86Å; V320-L596 HydrophobicContact CG1-CB 4.37Å; V320-L596 WeakPolarHBondContact CG1-O 3.39Å
321	R	44.4	Very low	57.6	Low	220 Å²	220	108.5 Å²	108.5	83%	0.83	54%	0.543	S	S	*	.			trans	-84.1	123.5	176.7	-80.7	-177.4	172.3	172	-0.5	110.4	H319 S323	H319-R321 PolarHBondContact O-N 2.84Å; R321-S323 PolarHBondContact O-N 3.22Å
322	F	51.1	Low	59	Low	112 Å²	112	108.2 Å²	108.2	49%	0.491	54%	0.537	S	S	.	.			trans	-66.8	115	167.3	-175.5	-107	0	0	0	109.2	L324 F592 Y595 L596	F322-L324 HydrophobicContact CD1-CG 4.38Å; F322-L324 HydrophobicContact CE1-CD1 3.53Å; F322-L324 HydrophobicContact CE1-CD2 4.17Å; F322-L324 HydrophobicContact CE1-CG 3.51Å; F322-L324 HydrophobicContact CE2-CD2 4.38Å; F322-L324 HydrophobicContact CE2-CG 4.49Å; F322-L324 HydrophobicContact CZ-CD1 3.8Å; F322-L324 HydrophobicContact CZ-CD2 3.69Å; F322-L324 HydrophobicContact CZ-CG 3.58Å; F322-F592 HydrophobicContact CD2-CE2 4.49Å; F322-F592 HydrophobicContact CD2-CZ 4.42Å; F322-F592 AromaticContact CE2-CE2 3.9Å; F322-F592 HydrophobicContact CE2-CE2 3.9Å; F322-F592 HydrophobicContact CE2-CZ 4.22Å; F322-Y595 HydrophobicContact CD2-CE1 4.15Å; F322-Y595 HydrophobicContact CE2-CD1 4.36Å; F322-Y595 AromaticContact CE2-CE1 3.76Å; F322-Y595 HydrophobicContact CE2-CE1 3.76Å; F322-L596 HydrophobicContact CB-CD2 4.44Å; F322-L596 HydrophobicContact CD2-CD2 3.78Å
323	S	55.4	Low	60.7	Low	49 Å²	49	109.5 Å²	109.5	34%	0.343	55%	0.545	S	S	.	.			trans	-129.8	116.5	174.4	-178.6	0	0	0	0	109.5	R321 K325	R321-S323 PolarHBondContact O-N 3.22Å; S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact OG-N 2.87Å
324	L	58.5	Low	63.2	Low	95 Å²	95	104.6 Å²	104.6	50%	0.497	51%	0.511	S	S	.	.			trans	-87.5	0.5	172.4	-72.9	170	0	0	0	112.7	F322 E326 V327	F322-L324 HydrophobicContact CD1-CG 4.38Å; F322-L324 HydrophobicContact CE1-CD1 3.53Å; F322-L324 HydrophobicContact CE1-CD2 4.17Å; F322-L324 HydrophobicContact CE1-CG 3.51Å; F322-L324 HydrophobicContact CE2-CD2 4.38Å; F322-L324 HydrophobicContact CE2-CG 4.49Å; F322-L324 HydrophobicContact CZ-CD1 3.8Å; F322-L324 HydrophobicContact CZ-CD2 3.69Å; F322-L324 HydrophobicContact CZ-CG 3.58Å; L324-E326 PolarHBondContact O-N 3.37Å; L324-V327 PolarHBondContact O-N 3.05Å
325	K	53.1	Low	65.8	Low	182 Å²	182	100 Å²	100	79%	0.791	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-1	-162.4	-85	-175.5	171.5	-177.6	0	116.3	S323	S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact OG-N 2.87Å
326	E	65.4	Low	68.3	Low	117 Å²	117	102.2 Å²	102.2	55%	0.547	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	6.6	-178.1	-60.9	-175.5	179.9	0	0	114.9	L324 R527	L324-E326 PolarHBondContact O-N 3.37Å; E326-R527 VanDerWaalsContact O-CZ 3.25Å; E326-R527 PolarHBondContact O-NE 3.03Å; E326-R527 PolarHBondContact O-NH2 2.99Å
327	V	75.6	Confident	71.2	Confident	9 Å²	9	94.7 Å²	94.7	6%	0.055	46%	0.458	C	S	.	.			trans	-111.7	112.9	-174.3	-175.9	0	0	0	0	109.4	L324 P331 R530 E531 A534 Y595	L324-V327 PolarHBondContact O-N 3.05Å; V327-P331 HydrophobicContact CG1-CG 3.81Å; V327-R530 HydrophobicContact CG2-CB 3.78Å; V327-E531 WeakPolarHBondContact CA-OE1 3.34Å; V327-E531 VanDerWaalsContact CG1-CD 3.46Å; V327-E531 HydrophobicContact CG1-CG 4.1Å; V327-E531 WeakPolarHBondContact CG1-OE2 3.48Å; V327-A534 HydrophobicContact CG1-CB 4.41Å; V327-Y595 HydrophobicContact CG1-CE2 4.42Å; V327-Y595 HydrophobicContact CG2-CE2 4.32Å
328	F	84.8	Confident	73.7	Confident	121 Å²	121	90.3 Å²	90.3	53%	0.531	44%	0.438	S	S	.	.			trans	-132.7	-39.2	-174.7	-65	-78.3	0	0	0	113.5	I332 E531	F328-I332 WeakPolarHBondContact O-CB 3.3Å; F328-I332 VanDerWaalsContact O-CD1 3.25Å; F328-I332 WeakPolarHBondContact O-CD1 3.34Å; F328-I332 WeakPolarHBondContact O-CG1 3.09Å; F328-I332 PolarHBondContact O-N 3.06Å; F328-E531 PolarHBondContact N-OE1 3.36Å; F328-E531 PolarHBondContact N-OE2 3.2Å
329	I	88.6	Confident	76.3	Confident	112 Å²	112	87.3 Å²	87.3	57%	0.574	43%	0.431	S	S	*	.	H	α-helix	trans	-72.6	-49.9	-169	-61.8	174.4	0	0	0	111	I332 L333 E531	I329-I332 PolarHBondContact O-N 3.37Å; I329-L333 HydrophobicContact CG2-CD1 3.77Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.16Å; I329-L333 WeakPolarHBondContact O-CG 3.39Å; I329-L333 PolarHBondContact O-N 2.99Å; I329-E531 PolarHBondContact N-OE1 3.11Å; I329-E531 PolarHBondContact N-OE2 3.17Å; I329-E531 VanDerWaalsContact N-OE2 3.08Å
330	G	89.3	Confident	79	Confident	4 Å²	4	81.3 Å²	81.3	4%	0.041	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-52	180	0	0	0	0	0	112.7	I332 L333 G334 E531	G330-I332 PolarHBondContact O-N 3.34Å; G330-L333 PolarHBondContact O-N 3.48Å; G330-G334 PolarHBondContact O-N 3.15Å; G330-E531 WeakPolarHBondContact CA-OE2 3.31Å; G330-E531 PolarHBondContact N-OE2 3.33Å
331	P	91	Very high	80.9	Confident	41 Å²	41	77.5 Å²	77.5	27%	0.266	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-42.1	175.3	-25.2	32.8	0	0	0	113.6	V327 G334 L335 E531 A534 L538	V327-P331 HydrophobicContact CG1-CG 3.81Å; P331-G334 PolarHBondContact O-N 2.89Å; P331-L335 VanDerWaalsContact O-CB 3.25Å; P331-L335 WeakPolarHBondContact O-CB 3.11Å; P331-L335 PolarHBondContact O-N 3.43Å; P331-E531 VanDerWaalsContact CD-OE2 3.26Å; P331-E531 WeakPolarHBondContact CD-OE2 3.33Å; P331-A534 HydrophobicContact CG-CB 3.91Å; P331-L538 WeakPolarHBondContact O-CD1 3.45Å
332	I	93.5	Very high	83.2	Confident	101 Å²	101	70 Å²	70	52%	0.518	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-49.4	179.3	-69.7	168.7	0	0	0	110.6	F328 I329 G330 G334 L335 L336	F328-I332 WeakPolarHBondContact O-CB 3.3Å; F328-I332 VanDerWaalsContact O-CD1 3.25Å; F328-I332 WeakPolarHBondContact O-CD1 3.34Å; F328-I332 WeakPolarHBondContact O-CG1 3.09Å; F328-I332 PolarHBondContact O-N 3.06Å; I329-I332 PolarHBondContact O-N 3.37Å; G330-I332 PolarHBondContact O-N 3.34Å; I332-G334 VanDerWaalsContact C-N 3.32Å; I332-G334 PolarHBondContact O-N 2.95Å; I332-L335 PolarHBondContact O-N 3.34Å; I332-L336 HydrophobicContact CG2-CD1 4.26Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 2.9Å
333	L	93.7	Very high	85.2	Confident	92 Å²	92	67.2 Å²	67.2	48%	0.482	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-40.6	177.7	-72.1	176.5	0	0	0	111.8	I329 G330 L336 L337 F535	I329-L333 HydrophobicContact CG2-CD1 3.77Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.16Å; I329-L333 WeakPolarHBondContact O-CG 3.39Å; I329-L333 PolarHBondContact O-N 2.99Å; G330-L333 PolarHBondContact O-N 3.48Å; L333-L336 PolarHBondContact O-N 3.42Å; L333-L337 WeakPolarHBondContact O-CB 3.41Å; L333-L337 PolarHBondContact O-N 2.87Å; L333-F535 HydrophobicContact CB-CD2 3.94Å; L333-F535 HydrophobicContact CB-CE2 4.1Å
334	G	94.2	Very high	86.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-38.3	176.5	0	0	0	0	0	112.2	G330 P331 I332 L337 V338	G330-G334 PolarHBondContact O-N 3.15Å; P331-G334 PolarHBondContact O-N 2.89Å; I332-G334 VanDerWaalsContact C-N 3.32Å; I332-G334 PolarHBondContact O-N 2.95Å; G334-L337 WeakPolarHBondContact O-CB 3.46Å; G334-L337 PolarHBondContact O-N 2.96Å; G334-V338 VanDerWaalsContact O-CG2 3.29Å; G334-V338 WeakPolarHBondContact O-CG2 3.42Å; G334-V338 PolarHBondContact O-N 3.45Å
335	L	94.4	Very high	88.4	Confident	105 Å²	105	62.4 Å²	62.4	55%	0.55	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-43.2	176.6	-177.9	64.6	0	0	0	111.2	P331 I332 L337 V338 V339	P331-L335 VanDerWaalsContact O-CB 3.25Å; P331-L335 WeakPolarHBondContact O-CB 3.11Å; P331-L335 PolarHBondContact O-N 3.43Å; I332-L335 PolarHBondContact O-N 3.34Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 PolarHBondContact O-N 2.86Å; L335-V338 PolarHBondContact O-N 2.95Å; L335-V339 WeakPolarHBondContact O-CG2 3.31Å; L335-V339 PolarHBondContact O-N 3.45Å
336	L	95.1	Very high	90.1	Very high	113 Å²	113	57.7 Å²	57.7	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-57.8	-42.8	173.4	-72.5	172.4	0	0	0	111.2	I332 L333 V339 A340	I332-L336 HydrophobicContact CG2-CD1 4.26Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 2.9Å; L333-L336 PolarHBondContact O-N 3.42Å; L336-V339 PolarHBondContact O-N 2.72Å; L336-A340 WeakPolarHBondContact O-CB 3.43Å; L336-A340 PolarHBondContact O-N 2.96Å
337	L	94.3	Very high	91.2	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-42.9	177	-176.3	154.3	0	0	0	111.8	L333 G334 L335 G341 I375 L378 F535 I542	L333-L337 WeakPolarHBondContact O-CB 3.41Å; L333-L337 PolarHBondContact O-N 2.87Å; G334-L337 WeakPolarHBondContact O-CB 3.46Å; G334-L337 PolarHBondContact O-N 2.96Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 PolarHBondContact O-N 2.86Å; L337-G341 PolarHBondContact O-N 2.88Å; L337-I375 HydrophobicContact CD1-CB 4.44Å; L337-I375 HydrophobicContact CD1-CG1 4.15Å; L337-I375 HydrophobicContact CD1-CG2 4.29Å; L337-I375 HydrophobicContact CD2-CB 4.48Å; L337-I375 HydrophobicContact CD2-CD1 4.25Å; L337-I375 HydrophobicContact CD2-CG1 3.86Å; L337-I375 HydrophobicContact CD2-CG2 3.97Å; L337-I375 HydrophobicContact CG-CG1 3.9Å; L337-L378 HydrophobicContact CD1-CD1 4.26Å; L337-F535 HydrophobicContact CD1-CE2 3.89Å; L337-F535 HydrophobicContact CD1-CZ 3.64Å; L337-I542 HydrophobicContact CD2-CG2 3.45Å; L337-I542 VanDerWaalsContact CD2-CG2 3.45Å
338	V	94.4	Very high	91.8	Very high	16 Å²	16	56.4 Å²	56.4	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-46.5	175.3	169.4	0	0	0	0	110.8	G334 L335 G341 I342 L538 I542	G334-V338 VanDerWaalsContact O-CG2 3.29Å; G334-V338 WeakPolarHBondContact O-CG2 3.42Å; G334-V338 PolarHBondContact O-N 3.45Å; L335-V338 PolarHBondContact O-N 2.95Å; V338-G341 PolarHBondContact O-N 2.9Å; V338-I342 HydrophobicContact CG1-CD1 3.68Å; V338-I342 HydrophobicContact CG1-CG1 4.31Å; V338-I342 WeakPolarHBondContact O-CB 3.31Å; V338-I342 VanDerWaalsContact O-CG1 3.28Å; V338-I342 WeakPolarHBondContact O-CG1 3.41Å; V338-I342 PolarHBondContact O-N 3.45Å; V338-L538 HydrophobicContact CG2-CB 3.98Å; V338-L538 HydrophobicContact CG2-CD2 4.39Å; V338-L538 WeakPolarHBondContact CG2-O 3.35Å; V338-I542 HydrophobicContact CG2-CB 4.2Å
339	V	95.4	Very high	91.7	Very high	89 Å²	89	51.3 Å²	51.3	54%	0.539	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-47.8	179.2	170.4	0	0	0	0	111	L335 L336 G341 I342 A343	L335-V339 WeakPolarHBondContact O-CG2 3.31Å; L335-V339 PolarHBondContact O-N 3.45Å; L336-V339 PolarHBondContact O-N 2.72Å; V339-G341 VanDerWaalsContact C-N 3.35Å; V339-G341 PolarHBondContact O-N 3.48Å; V339-I342 PolarHBondContact O-N 3.26Å; V339-A343 WeakPolarHBondContact O-CB 3.4Å; V339-A343 PolarHBondContact O-N 3.03Å
340	A	94.1	Very high	91.6	Very high	40 Å²	40	51 Å²	51	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-43	176.9	0	0	0	0	0	111.6	L336 A343 T344 M371	L336-A340 WeakPolarHBondContact O-CB 3.43Å; L336-A340 PolarHBondContact O-N 2.96Å; A340-A343 PolarHBondContact O-N 2.86Å; A340-T344 WeakPolarHBondContact O-CG2 3.3Å; A340-T344 PolarHBondContact O-N 3.45Å; A340-T344 PolarHBondContact O-OG1 3.46Å; A340-M371 HydrophobicContact CB-CE 3.45Å; A340-M371 VanDerWaalsContact CB-CE 3.45Å; A340-M371 HydrophobicContact CB-SD 4.34Å
341	G	92.8	Very high	91.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-44.3	177.8	0	0	0	0	0	112.3	L337 V338 V339 A343 T344 F345 M546	L337-G341 PolarHBondContact O-N 2.88Å; V338-G341 PolarHBondContact O-N 2.9Å; V339-G341 VanDerWaalsContact C-N 3.35Å; V339-G341 PolarHBondContact O-N 3.48Å; G341-A343 VanDerWaalsContact C-N 3.34Å; G341-A343 PolarHBondContact O-N 3.36Å; G341-T344 PolarHBondContact O-N 3.14Å; G341-T344 PolarHBondContact O-OG1 3.05Å; G341-F345 WeakPolarHBondContact O-CB 3.43Å; G341-F345 PolarHBondContact O-N 3.21Å; G341-M546 WeakPolarHBondContact O-CE 3.25Å
342	I	93.1	Very high	90.7	Very high	61 Å²	61	51.4 Å²	51.4	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-43	176.2	-69.5	171.7	0	0	0	110.5	V338 V339 F345 I346 I542	V338-I342 HydrophobicContact CG1-CD1 3.68Å; V338-I342 HydrophobicContact CG1-CG1 4.31Å; V338-I342 WeakPolarHBondContact O-CB 3.31Å; V338-I342 VanDerWaalsContact O-CG1 3.28Å; V338-I342 WeakPolarHBondContact O-CG1 3.41Å; V338-I342 PolarHBondContact O-N 3.45Å; V339-I342 PolarHBondContact O-N 3.26Å; I342-F345 PolarHBondContact O-N 3.09Å; I342-I346 HydrophobicContact CG2-CD1 3.63Å; I342-I346 HydrophobicContact CG2-CG1 4.23Å; I342-I346 VanDerWaalsContact O-CG1 3.29Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 3.31Å; I342-I542 HydrophobicContact CG1-CD1 3.66Å
343	A	92.7	Very high	89.6	Confident	54 Å²	54	51.5 Å²	51.5	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-49.7	177.9	0	0	0	0	0	111.5	V339 A340 G341 F345 I346 E347	V339-A343 WeakPolarHBondContact O-CB 3.4Å; V339-A343 PolarHBondContact O-N 3.03Å; A340-A343 PolarHBondContact O-N 2.86Å; G341-A343 VanDerWaalsContact C-N 3.34Å; G341-A343 PolarHBondContact O-N 3.36Å; A343-F345 VanDerWaalsContact C-N 3.33Å; A343-F345 PolarHBondContact O-N 2.86Å; A343-I346 PolarHBondContact O-N 3.45Å; A343-E347 WeakPolarHBondContact O-CB 3.38Å; A343-E347 PolarHBondContact O-N 2.99Å
344	T	91	Very high	88.8	Confident	19 Å²	19	49 Å²	49	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-32.6	177.8	60.1	0	0	0	0	113.2	A340 G341 Y348 I367 M371	A340-T344 WeakPolarHBondContact O-CG2 3.3Å; A340-T344 PolarHBondContact O-N 3.45Å; A340-T344 PolarHBondContact O-OG1 3.46Å; G341-T344 PolarHBondContact O-N 3.14Å; G341-T344 PolarHBondContact O-OG1 3.05Å; T344-Y348 WeakPolarHBondContact O-CB 3.42Å; T344-Y348 PolarHBondContact O-N 3.4Å; T344-I367 HydrophobicContact CG2-CG2 3.87Å; T344-M371 HydrophobicContact CG2-CB 4.06Å; T344-M371 HydrophobicContact CG2-CG 3.98Å
345	F	90.2	Very high	87.5	Confident	24 Å²	24	57.3 Å²	57.3	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-44.9	174.8	166.7	-106.4	0	0	0	111.9	G341 I342 A343 E347 Y348 E349 M546 F549 A551	G341-F345 WeakPolarHBondContact O-CB 3.43Å; G341-F345 PolarHBondContact O-N 3.21Å; I342-F345 PolarHBondContact O-N 3.09Å; A343-F345 VanDerWaalsContact C-N 3.33Å; A343-F345 PolarHBondContact O-N 2.86Å; F345-E347 VanDerWaalsContact C-N 3.33Å; F345-Y348 PolarHBondContact O-N 2.86Å; F345-E349 HydrophobicContact CD2-CG 4.24Å; F345-E349 HydrophobicContact CE1-CG 4.38Å; F345-E349 HydrophobicContact CE2-CG 3.65Å; F345-E349 HydrophobicContact CZ-CG 3.72Å; F345-E349 WeakPolarHBondContact O-CB 3.49Å; F345-E349 PolarHBondContact O-N 3.25Å; F345-M546 HydrophobicContact CB-CG 4.17Å; F345-M546 HydrophobicContact CD2-CB 4.25Å; F345-M546 HydrophobicContact CD2-CG 4.21Å; F345-M546 HydrophobicContact CG-CG 4.33Å; F345-F549 HydrophobicContact CE1-CB 4.21Å; F345-F549 HydrophobicContact CZ-CB 3.61Å; F345-A551 HydrophobicContact CD2-CB 3.71Å; F345-A551 HydrophobicContact CE2-CB 3.55Å
346	I	89.8	Confident	86.1	Confident	84 Å²	84	53.9 Å²	53.9	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-44.3	176.7	-69.8	169.8	0	0	0	110.1	I342 A343 E349 I350	I342-I346 HydrophobicContact CG2-CD1 3.63Å; I342-I346 HydrophobicContact CG2-CG1 4.23Å; I342-I346 VanDerWaalsContact O-CG1 3.29Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 3.31Å; A343-I346 PolarHBondContact O-N 3.45Å; I346-E349 PolarHBondContact O-N 2.9Å; I346-I350 HydrophobicContact CG2-CD1 3.6Å; I346-I350 HydrophobicContact CG2-CG1 4.29Å; I346-I350 WeakPolarHBondContact O-CB 3.47Å; I346-I350 VanDerWaalsContact O-CG1 3.24Å; I346-I350 WeakPolarHBondContact O-CG1 3.36Å; I346-I350 PolarHBondContact O-N 3.32Å
347	E	88.3	Confident	85.3	Confident	95 Å²	95	54.6 Å²	54.6	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-58.5	-50	176.2	-174.9	177.6	179.3	0	0	111.5	A343 F345 E349 I350 E351	A343-E347 WeakPolarHBondContact O-CB 3.38Å; A343-E347 PolarHBondContact O-N 2.99Å; F345-E347 VanDerWaalsContact C-N 3.33Å; E347-E349 PolarHBondContact O-N 3.49Å; E347-I350 PolarHBondContact O-N 3.43Å; E347-E351 WeakPolarHBondContact O-CB 3.33Å; E347-E351 PolarHBondContact O-N 3.03Å
348	Y	87.6	Confident	84.3	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-58	-45.2	175.8	162.9	-91	0	0	0	112.5	T344 F345 E351 M352 V365 H368 A551 D556	T344-Y348 WeakPolarHBondContact O-CB 3.42Å; T344-Y348 PolarHBondContact O-N 3.4Å; F345-Y348 PolarHBondContact O-N 2.86Å; Y348-E351 PolarHBondContact O-N 3.37Å; Y348-M352 WeakPolarHBondContact O-CB 3.29Å; Y348-M352 PolarHBondContact O-N 3.21Å; Y348-V365 HydrophobicContact CD2-CG2 4.39Å; Y348-V365 HydrophobicContact CE2-CG2 4.11Å; Y348-H368 HydrophobicContact CD2-CB 4.21Å; Y348-H368 HydrophobicContact CG-CB 4.41Å; Y348-A551 HydrophobicContact CD1-CB 4.04Å; Y348-A551 HydrophobicContact CE1-CB 3.57Å; Y348-D556 PolarHBondContact OH-OD2 3.34Å
349	E	83	Confident	83.5	Confident	14 Å²	14	67 Å²	67	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-36.6	179.9	-87.5	-74.5	139.3	0	0	113.1	R255 F345 I346 E347 K353	R255-E349 IonicContact CZ-OE1 3.18Å; R255-E349 IonicContact CZ-OE2 2.71Å; R255-E349 VanDerWaalsContact NH1-CD 3.32Å; R255-E349 IonicContact NH1-OE1 2.73Å; R255-E349 PolarHBondContact NH1-OE1 3Å; R255-E349 IonicContact NH1-OE2 3.71Å; R255-E349 PolarHBondContact NH1-OE2 3.47Å; R255-E349 VanDerWaalsContact NH1-OE2 3.07Å; R255-E349 IonicContact NH2-OE1 2.71Å; R255-E349 PolarHBondContact NH2-OE1 2.9Å; R255-E349 IonicContact NH2-OE2 3.7Å; F345-E349 HydrophobicContact CD2-CG 4.24Å; F345-E349 HydrophobicContact CE1-CG 4.38Å; F345-E349 HydrophobicContact CE2-CG 3.65Å; F345-E349 HydrophobicContact CZ-CG 3.72Å; F345-E349 WeakPolarHBondContact O-CB 3.49Å; F345-E349 PolarHBondContact O-N 3.25Å; I346-E349 PolarHBondContact O-N 2.9Å; E347-E349 PolarHBondContact O-N 3.49Å; E349-K353 WeakPolarHBondContact O-CB 3.3Å; E349-K353 WeakPolarHBondContact O-CD 3.46Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.33Å; E349-K353 PolarHBondContact O-N 2.84Å; E349-K353 WeakPolarHBondContact OE2-CE 3.47Å; E349-K353 IonicContact OE2-NZ 3.14Å; E349-K353 PolarHBondContact OE2-NZ 3.46Å
350	I	85	Confident	82.7	Confident	107 Å²	107	65.1 Å²	65.1	55%	0.549	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-49.2	175.8	-70.9	169.4	0	0	0	109.6	I346 E347 M352 K353 A354	I346-I350 HydrophobicContact CG2-CD1 3.6Å; I346-I350 HydrophobicContact CG2-CG1 4.29Å; I346-I350 WeakPolarHBondContact O-CB 3.47Å; I346-I350 VanDerWaalsContact O-CG1 3.24Å; I346-I350 WeakPolarHBondContact O-CG1 3.36Å; I346-I350 PolarHBondContact O-N 3.32Å; E347-I350 PolarHBondContact O-N 3.43Å; I350-M352 PolarHBondContact O-N 3.48Å; I350-K353 PolarHBondContact O-N 3.27Å; I350-A354 PolarHBondContact O-N 3.29Å
351	E	84	Confident	82.1	Confident	45 Å²	45	66.6 Å²	66.6	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-38.6	-175.4	-164.2	59.9	-151.2	0	0	111.7	E347 Y348 K353 A354 S356 S360 A364	E347-E351 WeakPolarHBondContact O-CB 3.33Å; E347-E351 PolarHBondContact O-N 3.03Å; Y348-E351 PolarHBondContact O-N 3.37Å; E351-K353 PolarHBondContact O-N 3.45Å; E351-A354 PolarHBondContact O-N 2.96Å; E351-S356 PolarHBondContact O-OG 3.01Å; E351-S356 WeakPolarHBondContact OE1-CB 3.28Å; E351-S356 PolarHBondContact OE1-OG 3.3Å; E351-S360 WeakPolarHBondContact OE1-CB 3.37Å; E351-A364 HydrophobicContact CB-CB 3.73Å; E351-A364 HydrophobicContact CG-CB 3.72Å
352	M	77.3	Confident	81.5	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-68.5	-23.6	177.7	-168.3	59.7	177.6	0	0	113.3	Y348 I350 R361 D556	Y348-M352 WeakPolarHBondContact O-CB 3.29Å; Y348-M352 PolarHBondContact O-N 3.21Å; I350-M352 PolarHBondContact O-N 3.48Å; M352-R361 VanDerWaalsContact SD-CZ 3.57Å; M352-R361 PolarHBondContact SD-NH2 2.89Å; M352-D556 HydrophobicContact CE-CB 4.05Å; M352-D556 WeakPolarHBondContact CE-OD1 3.48Å
353	K	72	Confident	81.1	Confident	102 Å²	102	71.4 Å²	71.4	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-89.6	-28.4	174.9	-72.6	174	-161.7	175.3	0	112.9	Y285 E349 I350 E351	Y285-K353 WeakPolarHBondContact OH-CE 3.48Å; Y285-K353 PolarHBondContact OH-NZ 2.85Å; E349-K353 WeakPolarHBondContact O-CB 3.3Å; E349-K353 WeakPolarHBondContact O-CD 3.46Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.33Å; E349-K353 PolarHBondContact O-N 2.84Å; E349-K353 WeakPolarHBondContact OE2-CE 3.47Å; E349-K353 IonicContact OE2-NZ 3.14Å; E349-K353 PolarHBondContact OE2-NZ 3.46Å; I350-K353 PolarHBondContact O-N 3.27Å; E351-K353 PolarHBondContact O-N 3.45Å
354	A	76.3	Confident	80.8	Confident	39 Å²	39	69.2 Å²	69.2	32%	0.322	35%	0.35	S	S	.	.	S	Bend	trans	-62.8	145.2	175.3	0	0	0	0	0	109.7	I350 E351 S356	I350-A354 PolarHBondContact O-N 3.29Å; E351-A354 PolarHBondContact O-N 2.96Å; A354-S356 PolarHBondContact O-N 2.96Å
355	K	66.5	Low	80.5	Confident	176 Å²	176	68.8 Å²	68.8	77%	0.765	35%	0.347	S	S	*	.			trans	-78.7	53.3	165.2	-68.1	-176.6	178.9	-179.3	0	109
356	S	64.9	Low	80.4	Confident	33 Å²	33	71.6 Å²	71.6	23%	0.231	36%	0.362	C	S	.	.			trans	-84.7	162.1	179.9	53.9	0	0	0	0	111.4	E351 A354	E351-S356 PolarHBondContact O-OG 3.01Å; E351-S356 WeakPolarHBondContact OE1-CB 3.28Å; E351-S356 PolarHBondContact OE1-OG 3.3Å; A354-S356 PolarHBondContact O-N 2.96Å
357	D	78.3	Confident	80.4	Confident	127 Å²	127	70.3 Å²	70.3	68%	0.679	36%	0.356	S	S	*	.			trans	-64.1	154.1	179.8	-62.4	-38.2	0	0	0	111.3	E359 S360 R361	D357-E359 PolarHBondContact O-N 2.86Å; D357-E359 VanDerWaalsContact O-N 3.16Å; D357-S360 PolarHBondContact O-N 3.31Å; D357-S360 VanDerWaalsContact O-N 3.09Å; D357-R361 PolarHBondContact O-N 2.93Å
358	E	73.2	Confident	80.4	Confident	130 Å²	130	66 Å²	66	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-56.6	-33.7	-176.5	-72.3	175.7	-172	0	0	112.3	K251 R361 D362	K251-E358 IonicContact NZ-OE1 2.74Å; K251-E358 PolarHBondContact NZ-OE1 2.88Å; E358-R361 PolarHBondContact O-N 3.41Å; E358-D362 PolarHBondContact O-N 3.24Å
359	E	78.9	Confident	80.5	Confident	156 Å²	156	66.1 Å²	66.1	73%	0.729	34%	0.336	S	S	*	.	H	α-helix	trans	-64.6	-39.7	177.5	-174.3	176.1	-179	0	0	113.3	D357 D362 T363	D357-E359 PolarHBondContact O-N 2.86Å; D357-E359 VanDerWaalsContact O-N 3.16Å; E359-D362 PolarHBondContact O-N 3.4Å; E359-T363 WeakPolarHBondContact O-CB 3.28Å; E359-T363 PolarHBondContact O-N 3.12Å; E359-T363 PolarHBondContact O-OG1 3.29Å
360	S	78.8	Confident	80.9	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-36.8	178.8	-56.3	0	0	0	0	111.3	E351 D357 T363 A364	E351-S360 WeakPolarHBondContact OE1-CB 3.37Å; D357-S360 PolarHBondContact O-N 3.31Å; D357-S360 VanDerWaalsContact O-N 3.09Å; S360-T363 PolarHBondContact O-N 2.99Å; S360-A364 PolarHBondContact O-N 2.89Å
361	R	80.1	Confident	81.2	Confident	70 Å²	70	64.8 Å²	64.8	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-47.4	173.9	-69.6	178.2	55.9	145	-3.3	111.7	M352 D357 E358 T363 A364 V365	M352-R361 VanDerWaalsContact SD-CZ 3.57Å; M352-R361 PolarHBondContact SD-NH2 2.89Å; D357-R361 PolarHBondContact O-N 2.93Å; E358-R361 PolarHBondContact O-N 3.41Å; R361-T363 VanDerWaalsContact C-N 3.26Å; R361-T363 PolarHBondContact O-N 3.48Å; R361-A364 PolarHBondContact O-N 3.45Å; R361-V365 VanDerWaalsContact O-CG2 3.26Å; R361-V365 WeakPolarHBondContact O-CG2 3.42Å; R361-V365 PolarHBondContact O-N 3.33Å
362	D	81	Confident	81.6	Confident	98 Å²	98	63 Å²	63	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-39.2	176.6	-79.5	-5	0	0	0	111.7	E358 E359 M366	E358-D362 PolarHBondContact O-N 3.24Å; E359-D362 PolarHBondContact O-N 3.4Å; D362-M366 WeakPolarHBondContact O-CB 3.39Å; D362-M366 PolarHBondContact O-N 3.01Å
363	T	85.2	Confident	82.4	Confident	64 Å²	64	63.7 Å²	63.7	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-46	176	-58.4	0	0	0	0	111.6	E359 S360 R361 M366 I367	E359-T363 WeakPolarHBondContact O-CB 3.28Å; E359-T363 PolarHBondContact O-N 3.12Å; E359-T363 PolarHBondContact O-OG1 3.29Å; S360-T363 PolarHBondContact O-N 2.99Å; R361-T363 VanDerWaalsContact C-N 3.26Å; R361-T363 PolarHBondContact O-N 3.48Å; T363-M366 WeakPolarHBondContact O-CB 3.45Å; T363-M366 PolarHBondContact O-N 3.5Å; T363-I367 HydrophobicContact CG2-CD1 4.05Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 2.9Å
364	A	86.4	Confident	83.5	Confident	8 Å²	8	61.8 Å²	61.8	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-42.2	178.2	0	0	0	0	0	112.6	E351 S360 R361 M366 I367 H368	E351-A364 HydrophobicContact CB-CB 3.73Å; E351-A364 HydrophobicContact CG-CB 3.72Å; S360-A364 PolarHBondContact O-N 2.89Å; R361-A364 PolarHBondContact O-N 3.45Å; A364-M366 VanDerWaalsContact C-N 3.31Å; A364-M366 PolarHBondContact O-N 3.46Å; A364-I367 PolarHBondContact O-N 3.19Å; A364-H368 WeakPolarHBondContact O-CB 3.44Å; A364-H368 PolarHBondContact O-N 3.09Å
365	V	84.7	Confident	84.4	Confident	10 Å²	10	60 Å²	60	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-40.2	175	-178.9	0	0	0	0	110.3	Y348 R361 H368 F369 L439	Y348-V365 HydrophobicContact CD2-CG2 4.39Å; Y348-V365 HydrophobicContact CE2-CG2 4.11Å; R361-V365 VanDerWaalsContact O-CG2 3.26Å; R361-V365 WeakPolarHBondContact O-CG2 3.42Å; R361-V365 PolarHBondContact O-N 3.33Å; V365-H368 PolarHBondContact O-N 3.44Å; V365-F369 HydrophobicContact CG1-CD2 3.7Å; V365-F369 HydrophobicContact CG1-CE2 3.54Å; V365-F369 VanDerWaalsContact O-CD2 3.28Å; V365-F369 WeakPolarHBondContact O-CD2 3.34Å; V365-F369 PolarHBondContact O-N 3.16Å; V365-L439 HydrophobicContact CG1-CD1 4.01Å; V365-L439 HydrophobicContact CG1-CD2 4.2Å
366	M	87.4	Confident	85.7	Confident	84 Å²	84	51.6 Å²	51.6	41%	0.414	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-49.5	175.5	-171.4	-159.4	-54.1	0	0	112	D362 T363 A364 H368 F369 V370 L442	D362-M366 WeakPolarHBondContact O-CB 3.39Å; D362-M366 PolarHBondContact O-N 3.01Å; T363-M366 WeakPolarHBondContact O-CB 3.45Å; T363-M366 PolarHBondContact O-N 3.5Å; A364-M366 VanDerWaalsContact C-N 3.31Å; A364-M366 PolarHBondContact O-N 3.46Å; M366-H368 VanDerWaalsContact C-N 3.26Å; M366-H368 PolarHBondContact O-N 2.93Å; M366-F369 PolarHBondContact O-N 3.41Å; M366-V370 HydrophobicContact CG-CG2 4.38Å; M366-V370 WeakPolarHBondContact O-CG2 3.11Å; M366-V370 PolarHBondContact O-N 3.38Å; M366-L442 HydrophobicContact CG-CD1 3.73Å
367	I	89.3	Confident	87.2	Confident	57 Å²	57	52.2 Å²	52.2	29%	0.292	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-44.1	178.3	-69.4	167	0	0	0	110	T344 T363 A364 V370 M371	T344-I367 HydrophobicContact CG2-CG2 3.87Å; T363-I367 HydrophobicContact CG2-CD1 4.05Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 2.9Å; A364-I367 PolarHBondContact O-N 3.19Å; I367-V370 PolarHBondContact O-N 3.35Å; I367-M371 WeakPolarHBondContact O-CB 3.25Å; I367-M371 PolarHBondContact O-N 2.85Å
368	H	88.2	Confident	88	Confident	5 Å²	5	50 Å²	50	2%	0.023	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-48.1	177.1	-175.1	77.8	0	0	0	112.3	Y348 A364 V365 M366 M371 N372 M546	Y348-H368 HydrophobicContact CD2-CB 4.21Å; Y348-H368 HydrophobicContact CG-CB 4.41Å; A364-H368 WeakPolarHBondContact O-CB 3.44Å; A364-H368 PolarHBondContact O-N 3.09Å; V365-H368 PolarHBondContact O-N 3.44Å; M366-H368 VanDerWaalsContact C-N 3.26Å; M366-H368 PolarHBondContact O-N 2.93Å; H368-M371 PolarHBondContact O-N 3.27Å; H368-N372 PolarHBondContact CD2-ND2 3.24Å; H368-N372 VanDerWaalsContact CD2-ND2 3.27Å; H368-N372 PolarHBondContact CE1-ND2 3.2Å; H368-N372 PolarHBondContact NE2-ND2 3.1Å; H368-N372 WeakPolarHBondContact O-CB 3.44Å; H368-N372 PolarHBondContact O-N 3.38Å; H368-N372 PolarHBondContact O-ND2 2.93Å; H368-N372 VanDerWaalsContact O-ND2 3.16Å; H368-M546 VanDerWaalsContact CE1-SD 3.56Å
369	F	89.2	Confident	89.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.6	-86	-64.3	0	0	0	112.7	V365 M366 M371 N372 I373 L439 L442 W446 P553	V365-F369 HydrophobicContact CG1-CD2 3.7Å; V365-F369 HydrophobicContact CG1-CE2 3.54Å; V365-F369 VanDerWaalsContact O-CD2 3.28Å; V365-F369 WeakPolarHBondContact O-CD2 3.34Å; V365-F369 PolarHBondContact O-N 3.16Å; M366-F369 PolarHBondContact O-N 3.41Å; F369-M371 PolarHBondContact O-N 2.95Å; F369-N372 PolarHBondContact O-N 3.26Å; F369-I373 WeakPolarHBondContact O-CB 3.4Å; F369-I373 VanDerWaalsContact O-CG1 3.28Å; F369-I373 WeakPolarHBondContact O-CG1 3.18Å; F369-I373 PolarHBondContact O-N 3.26Å; F369-L439 HydrophobicContact CD2-CD1 3.66Å; F369-L439 HydrophobicContact CE2-CD1 3.97Å; F369-L439 HydrophobicContact CE2-CG 4.47Å; F369-L442 HydrophobicContact CB-CB 4.47Å; F369-W446 HydrophobicContact CD1-CB 4.36Å; F369-W446 HydrophobicContact CD1-CG 4.3Å; F369-W446 HydrophobicContact CE1-CG 4.39Å; F369-P553 HydrophobicContact CE1-CB 4.49Å; F369-P553 HydrophobicContact CE2-CB 4.23Å; F369-P553 HydrophobicContact CZ-CB 3.91Å
370	V	92.3	Very high	89.9	Confident	64 Å²	64	37 Å²	37	39%	0.388	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-46.2	179.3	171.1	0	0	0	0	110.4	M366 I367 N372 I373 V374 L442	M366-V370 HydrophobicContact CG-CG2 4.38Å; M366-V370 WeakPolarHBondContact O-CG2 3.11Å; M366-V370 PolarHBondContact O-N 3.38Å; I367-V370 PolarHBondContact O-N 3.35Å; V370-N372 VanDerWaalsContact C-N 3.34Å; V370-N372 PolarHBondContact O-N 3.24Å; V370-I373 PolarHBondContact O-N 2.92Å; V370-V374 WeakPolarHBondContact O-CG2 3.33Å; V370-V374 PolarHBondContact O-N 3.35Å; V370-L442 HydrophobicContact CG2-CD1 4.16Å; V370-L442 HydrophobicContact CG2-CD2 4.18Å
371	M	92.3	Very high	90.8	Very high	29 Å²	29	38.6 Å²	38.6	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-44.1	178	-174.6	58.8	-166.5	0	0	111.6	A340 T344 I367 H368 F369 I373 V374 I375	A340-M371 HydrophobicContact CB-CE 3.45Å; A340-M371 VanDerWaalsContact CB-CE 3.45Å; A340-M371 HydrophobicContact CB-SD 4.34Å; T344-M371 HydrophobicContact CG2-CB 4.06Å; T344-M371 HydrophobicContact CG2-CG 3.98Å; I367-M371 WeakPolarHBondContact O-CB 3.25Å; I367-M371 PolarHBondContact O-N 2.85Å; H368-M371 PolarHBondContact O-N 3.27Å; F369-M371 PolarHBondContact O-N 2.95Å; M371-I373 PolarHBondContact O-N 3.47Å; M371-V374 WeakPolarHBondContact O-CB 3.47Å; M371-V374 PolarHBondContact O-N 3.23Å; M371-I375 HydrophobicContact CE-CD1 3.93Å; M371-I375 HydrophobicContact CE-CG1 3.85Å; M371-I375 HydrophobicContact CG-CD1 4.13Å; M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.46Å; M371-I375 PolarHBondContact O-N 3Å
372	N	91.6	Very high	91.4	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-44.3	176.3	-82.1	-35.6	0	0	0	112.4	H368 F369 V370 V374 I375 V376 W446 M546	H368-N372 PolarHBondContact CD2-ND2 3.24Å; H368-N372 VanDerWaalsContact CD2-ND2 3.27Å; H368-N372 PolarHBondContact CE1-ND2 3.2Å; H368-N372 PolarHBondContact NE2-ND2 3.1Å; H368-N372 WeakPolarHBondContact O-CB 3.44Å; H368-N372 PolarHBondContact O-N 3.38Å; H368-N372 PolarHBondContact O-ND2 2.93Å; H368-N372 VanDerWaalsContact O-ND2 3.16Å; F369-N372 PolarHBondContact O-N 3.26Å; V370-N372 VanDerWaalsContact C-N 3.34Å; V370-N372 PolarHBondContact O-N 3.24Å; N372-V374 VanDerWaalsContact C-N 3.32Å; N372-V374 PolarHBondContact O-N 2.98Å; N372-I375 WeakPolarHBondContact O-CB 3.34Å; N372-I375 PolarHBondContact O-N 2.97Å; N372-V376 WeakPolarHBondContact O-CB 3.42Å; N372-V376 PolarHBondContact O-N 3.27Å; N372-W446 VanDerWaalsContact C-CZ3 3.42Å; N372-W446 HydrophobicContact CB-CE3 3.97Å; N372-W446 HydrophobicContact CB-CH2 3.72Å; N372-W446 HydrophobicContact CB-CZ2 4.43Å; N372-W446 HydrophobicContact CB-CZ3 3.49Å; N372-W446 VanDerWaalsContact CB-CZ3 3.49Å; N372-W446 WeakPolarHBondContact O-CZ3 3.25Å; N372-M546 PolarHBondContact OD1-SD 3.26Å
373	I	93.8	Very high	92.1	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-44.8	173.7	-73.4	166.1	0	0	0	110.8	F369 V370 M371 I375 V376 T377 L442 T445 W446 L449	F369-I373 WeakPolarHBondContact O-CB 3.4Å; F369-I373 VanDerWaalsContact O-CG1 3.28Å; F369-I373 WeakPolarHBondContact O-CG1 3.18Å; F369-I373 PolarHBondContact O-N 3.26Å; V370-I373 PolarHBondContact O-N 2.92Å; M371-I373 PolarHBondContact O-N 3.47Å; I373-I375 PolarHBondContact O-N 2.66Å; I373-V376 PolarHBondContact O-N 2.72Å; I373-T377 HydrophobicContact CG2-CG2 4.3Å; I373-T377 WeakPolarHBondContact O-CB 3.07Å; I373-T377 VanDerWaalsContact O-CG2 3.25Å; I373-T377 WeakPolarHBondContact O-CG2 3.29Å; I373-T377 PolarHBondContact O-N 2.8Å; I373-T377 PolarHBondContact O-OG1 2.87Å; I373-L442 HydrophobicContact CD1-CB 4.43Å; I373-L442 HydrophobicContact CD1-CD2 3.92Å; I373-T445 HydrophobicContact CD1-CG2 4.27Å; I373-W446 HydrophobicContact CD1-CB 4.36Å; I373-W446 HydrophobicContact CG1-CB 4.11Å; I373-W446 HydrophobicContact CG1-CE3 4.05Å; I373-L449 HydrophobicContact CB-CD1 4.48Å; I373-L449 HydrophobicContact CG1-CD1 4.43Å; I373-L449 HydrophobicContact CG2-CD1 3.69Å
374	V	95.2	Very high	92.6	Very high	62 Å²	62	32.4 Å²	32.4	38%	0.376	19%	0.185	S	C	.	.	H	α-helix	trans	-60.6	-45	176.3	171.5	0	0	0	0	111	V370 M371 N372 V376 T377 L378	V370-V374 WeakPolarHBondContact O-CG2 3.33Å; V370-V374 PolarHBondContact O-N 3.35Å; M371-V374 WeakPolarHBondContact O-CB 3.47Å; M371-V374 PolarHBondContact O-N 3.23Å; N372-V374 VanDerWaalsContact C-N 3.32Å; N372-V374 PolarHBondContact O-N 2.98Å; V374-V376 PolarHBondContact O-N 3.33Å; V374-T377 WeakPolarHBondContact CA-OG1 3.31Å; V374-T377 PolarHBondContact O-OG1 2.97Å; V374-L378 HydrophobicContact CG1-CD1 3.9Å; V374-L378 HydrophobicContact CG1-CG 4.42Å; V374-L378 WeakPolarHBondContact O-CB 3.35Å; V374-L378 VanDerWaalsContact O-CG 3.25Å; V374-L378 WeakPolarHBondContact O-CG 3.44Å; V374-L378 PolarHBondContact O-N 2.91Å
375	I	94.5	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-52.2	177.7	-66.9	166.3	0	0	0	110.6	L337 M371 N372 I373 T377 L378 M379 I542 L543 M546	L337-I375 HydrophobicContact CD1-CB 4.44Å; L337-I375 HydrophobicContact CD1-CG1 4.15Å; L337-I375 HydrophobicContact CD1-CG2 4.29Å; L337-I375 HydrophobicContact CD2-CB 4.48Å; L337-I375 HydrophobicContact CD2-CD1 4.25Å; L337-I375 HydrophobicContact CD2-CG1 3.86Å; L337-I375 HydrophobicContact CD2-CG2 3.97Å; L337-I375 HydrophobicContact CG-CG1 3.9Å; M371-I375 HydrophobicContact CE-CD1 3.93Å; M371-I375 HydrophobicContact CE-CG1 3.85Å; M371-I375 HydrophobicContact CG-CD1 4.13Å; M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.46Å; M371-I375 PolarHBondContact O-N 3Å; N372-I375 WeakPolarHBondContact O-CB 3.34Å; N372-I375 PolarHBondContact O-N 2.97Å; I373-I375 PolarHBondContact O-N 2.66Å; I375-T377 PolarHBondContact O-N 3.42Å; I375-L378 PolarHBondContact O-N 3.4Å; I375-M379 HydrophobicContact CG2-CG 4.37Å; I375-M379 HydrophobicContact CG2-SD 3.78Å; I375-M379 WeakPolarHBondContact O-CB 3.08Å; I375-M379 VanDerWaalsContact O-CG 3.25Å; I375-M379 WeakPolarHBondContact O-CG 3.33Å; I375-M379 PolarHBondContact O-N 2.91Å; I375-I542 HydrophobicContact CD1-CG2 4.13Å; I375-I542 HydrophobicContact CG2-CG2 4.32Å; I375-L543 HydrophobicContact CG2-CD1 3.99Å; I375-L543 HydrophobicContact CG2-CD2 4.04Å; I375-L543 HydrophobicContact CG2-CG 3.92Å; I375-M546 HydrophobicContact CD1-CE 4.04Å
376	V	95.1	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-34.9	-174.3	166.7	0	0	0	0	112.4	N372 I373 V374 S380 W446 L449 M450 Q453 L543	N372-V376 WeakPolarHBondContact O-CB 3.42Å; N372-V376 PolarHBondContact O-N 3.27Å; I373-V376 PolarHBondContact O-N 2.72Å; V374-V376 PolarHBondContact O-N 3.33Å; V376-S380 WeakPolarHBondContact O-CB 3.05Å; V376-S380 PolarHBondContact O-N 3.45Å; V376-S380 PolarHBondContact O-OG 3.22Å; V376-W446 HydrophobicContact CB-CZ3 3.89Å; V376-W446 HydrophobicContact CG1-CZ3 4.47Å; V376-W446 HydrophobicContact CG2-CE3 4.41Å; V376-W446 HydrophobicContact CG2-CH2 3.62Å; V376-W446 HydrophobicContact CG2-CZ3 3.31Å; V376-L449 HydrophobicContact CG1-CB 3.96Å; V376-M450 HydrophobicContact CG1-SD 4.14Å; V376-M450 HydrophobicContact CG2-SD 3.63Å; V376-Q453 HydrophobicContact CB-CG 4.46Å; V376-Q453 HydrophobicContact CG1-CB 3.49Å; V376-Q453 VanDerWaalsContact CG1-CB 3.49Å; V376-Q453 HydrophobicContact CG1-CG 3.75Å; V376-L543 HydrophobicContact CG2-CD1 3.83Å
377	T	95.6	Very high	93.3	Very high	47 Å²	47	32.2 Å²	32.2	29%	0.288	19%	0.185	S	C	.	.	H	α-helix	trans	-66.6	-47.6	173.2	49	0	0	0	0	111.7	I373 V374 I375 M379 S380 V381 L449	I373-T377 HydrophobicContact CG2-CG2 4.3Å; I373-T377 WeakPolarHBondContact O-CB 3.07Å; I373-T377 VanDerWaalsContact O-CG2 3.25Å; I373-T377 WeakPolarHBondContact O-CG2 3.29Å; I373-T377 PolarHBondContact O-N 2.8Å; I373-T377 PolarHBondContact O-OG1 2.87Å; V374-T377 WeakPolarHBondContact CA-OG1 3.31Å; V374-T377 PolarHBondContact O-OG1 2.97Å; I375-T377 PolarHBondContact O-N 3.42Å; T377-M379 VanDerWaalsContact C-N 3.34Å; T377-M379 PolarHBondContact O-N 3.27Å; T377-S380 WeakPolarHBondContact O-CB 3.38Å; T377-S380 PolarHBondContact O-N 3.39Å; T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.08Å; T377-L449 HydrophobicContact CG2-CD1 3.6Å; T377-L449 HydrophobicContact CG2-CD2 3.86Å; T377-L449 HydrophobicContact CG2-CG 4.35Å
378	L	95.6	Very high	93.3	Very high	81 Å²	81	32 Å²	32	42%	0.424	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-43.4	176.6	-69.5	174.7	0	0	0	111.5	L337 V374 I375 S380 V381 C382 F535	L337-L378 HydrophobicContact CD1-CD1 4.26Å; V374-L378 HydrophobicContact CG1-CD1 3.9Å; V374-L378 HydrophobicContact CG1-CG 4.42Å; V374-L378 WeakPolarHBondContact O-CB 3.35Å; V374-L378 VanDerWaalsContact O-CG 3.25Å; V374-L378 WeakPolarHBondContact O-CG 3.44Å; V374-L378 PolarHBondContact O-N 2.91Å; I375-L378 PolarHBondContact O-N 3.4Å; L378-S380 PolarHBondContact O-N 2.95Å; L378-V381 PolarHBondContact O-N 3.3Å; L378-C382 PolarHBondContact O-N 3.28Å; L378-C382 PolarHBondContact O-SG 3.49Å; L378-C382 VanDerWaalsContact O-SG 3.4Å; L378-F535 HydrophobicContact CB-CE1 4.31Å; L378-F535 HydrophobicContact CB-CZ 3.9Å
379	M	96.1	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-47.3	173.1	-72.5	178	76.1	0	0	111.3	I375 T377 V381 C382 T383 Q453 F535 L536 N540 L543	I375-M379 HydrophobicContact CG2-CG 4.37Å; I375-M379 HydrophobicContact CG2-SD 3.78Å; I375-M379 WeakPolarHBondContact O-CB 3.08Å; I375-M379 VanDerWaalsContact O-CG 3.25Å; I375-M379 WeakPolarHBondContact O-CG 3.33Å; I375-M379 PolarHBondContact O-N 2.91Å; T377-M379 VanDerWaalsContact C-N 3.34Å; T377-M379 PolarHBondContact O-N 3.27Å; M379-V381 PolarHBondContact O-N 3.44Å; M379-C382 PolarHBondContact O-N 3.45Å; M379-T383 WeakPolarHBondContact O-CB 3.36Å; M379-T383 PolarHBondContact O-N 3.1Å; M379-T383 PolarHBondContact O-OG1 3.28Å; M379-Q453 HydrophobicContact CB-CG 4.18Å; M379-F535 HydrophobicContact CG-CE1 4.27Å; M379-L536 HydrophobicContact CB-CD2 3.97Å; M379-L536 HydrophobicContact CE-CD2 4.37Å; M379-L536 HydrophobicContact CG-CD2 4.17Å; M379-L536 WeakPolarHBondContact O-CD2 3.49Å; M379-N540 WeakPolarHBondContact CE-ND2 3.44Å; M379-L543 HydrophobicContact CE-CD1 4.46Å; M379-L543 HydrophobicContact SD-CD1 3.69Å
380	S	96.5	Very high	93	Very high	12 Å²	12	32.9 Å²	32.9	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-45.3	178.6	-59.7	0	0	0	0	112.1	V376 T377 L378 T383 V384 Q453	V376-S380 WeakPolarHBondContact O-CB 3.05Å; V376-S380 PolarHBondContact O-N 3.45Å; V376-S380 PolarHBondContact O-OG 3.22Å; T377-S380 WeakPolarHBondContact O-CB 3.38Å; T377-S380 PolarHBondContact O-N 3.39Å; L378-S380 PolarHBondContact O-N 2.95Å; S380-T383 PolarHBondContact O-N 3.48Å; S380-V384 WeakPolarHBondContact O-CG2 3.36Å; S380-V384 PolarHBondContact O-N 3.12Å; S380-Q453 WeakPolarHBondContact OG-CB 3.29Å; S380-Q453 WeakPolarHBondContact OG-CG 3.34Å
381	V	95.9	Very high	92.5	Very high	85 Å²	85	39.8 Å²	39.8	52%	0.515	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-48	176.5	172.4	0	0	0	0	110.9	T377 L378 M379 T383 V384 I385	T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.08Å; L378-V381 PolarHBondContact O-N 3.3Å; M379-V381 PolarHBondContact O-N 3.44Å; V381-T383 VanDerWaalsContact C-N 3.33Å; V381-T383 PolarHBondContact O-N 2.99Å; V381-V384 PolarHBondContact O-N 2.86Å; V381-I385 HydrophobicContact CG1-CD1 3.91Å; V381-I385 WeakPolarHBondContact O-CG1 3.24Å; V381-I385 PolarHBondContact O-N 3.03Å
382	C	94.8	Very high	91.9	Very high	26 Å²	26	43.1 Å²	43.1	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.4	-72.3	0	0	0	0	112.4	L378 M379 I385 G386 V532 F535 L536	L378-C382 PolarHBondContact O-N 3.28Å; L378-C382 PolarHBondContact O-SG 3.49Å; L378-C382 VanDerWaalsContact O-SG 3.4Å; M379-C382 PolarHBondContact O-N 3.45Å; C382-I385 PolarHBondContact O-N 2.77Å; C382-G386 PolarHBondContact O-N 3.38Å; C382-V532 HydrophobicContact CB-CG1 4.46Å; C382-V532 WeakPolarHBondContact O-CG1 3.47Å; C382-F535 HydrophobicContact CB-CD1 3.79Å; C382-F535 HydrophobicContact CB-CE1 4.07Å; C382-F535 WeakPolarHBondContact SG-CD1 3.25Å; C382-F535 WeakPolarHBondContact SG-CE1 3.38Å; C382-L536 HydrophobicContact CB-CD2 4.12Å; C382-L536 HydrophobicContact CB-CG 4.48Å
383	T	94.9	Very high	91	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-39.8	176.8	-55.7	0	0	0	0	112.1	M379 S380 V381 G386 S387 L456 F460 L536	M379-T383 WeakPolarHBondContact O-CB 3.36Å; M379-T383 PolarHBondContact O-N 3.1Å; M379-T383 PolarHBondContact O-OG1 3.28Å; S380-T383 PolarHBondContact O-N 3.48Å; V381-T383 VanDerWaalsContact C-N 3.33Å; V381-T383 PolarHBondContact O-N 2.99Å; T383-G386 PolarHBondContact O-N 2.93Å; T383-S387 VanDerWaalsContact O-CB 3.31Å; T383-S387 WeakPolarHBondContact O-CB 3.33Å; T383-S387 PolarHBondContact O-N 3.37Å; T383-S387 PolarHBondContact O-OG 3.32Å; T383-L456 VanDerWaalsContact CG2-C 3.48Å; T383-L456 HydrophobicContact CG2-CB 3.88Å; T383-L456 VanDerWaalsContact CG2-O 3.27Å; T383-L456 WeakPolarHBondContact CG2-O 3.17Å; T383-F460 HydrophobicContact CG2-CB 3.49Å; T383-F460 VanDerWaalsContact CG2-CB 3.49Å; T383-F460 HydrophobicContact CG2-CG 3.99Å; T383-L536 WeakPolarHBondContact OG1-CD2 3.3Å
384	V	95.3	Very high	89.6	Confident	76 Å²	76	51.1 Å²	51.1	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-43.9	174.2	171.8	0	0	0	0	110.8	S380 V381 S387 A388 L456	S380-V384 WeakPolarHBondContact O-CG2 3.36Å; S380-V384 PolarHBondContact O-N 3.12Å; V381-V384 PolarHBondContact O-N 2.86Å; V384-S387 PolarHBondContact O-N 2.92Å; V384-A388 WeakPolarHBondContact O-CB 3.3Å; V384-A388 PolarHBondContact O-N 3.36Å; V384-L456 HydrophobicContact CG2-CD1 3.86Å; V384-L456 HydrophobicContact CG2-CD2 4.3Å
385	I	92.3	Very high	88.1	Confident	79 Å²	79	50.7 Å²	50.7	41%	0.405	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-48.7	176.3	-67.1	165.3	0	0	0	110.5	V381 C382 S387 A388 I389 V528 V532	V381-I385 HydrophobicContact CG1-CD1 3.91Å; V381-I385 WeakPolarHBondContact O-CG1 3.24Å; V381-I385 PolarHBondContact O-N 3.03Å; C382-I385 PolarHBondContact O-N 2.77Å; I385-S387 PolarHBondContact O-N 3.06Å; I385-A388 PolarHBondContact O-N 3.45Å; I385-I389 HydrophobicContact CG2-CD1 3.97Å; I385-I389 WeakPolarHBondContact O-CD1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.43Å; I385-I389 PolarHBondContact O-N 3.43Å; I385-V528 HydrophobicContact CG2-CG1 4.44Å; I385-V532 HydrophobicContact CG2-CG2 4.41Å
386	G	91.3	Very high	86.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-44.3	177.1	0	0	0	0	0	112.7	C382 T383 A388 I389 F390	C382-G386 PolarHBondContact O-N 3.38Å; T383-G386 PolarHBondContact O-N 2.93Å; G386-A388 PolarHBondContact O-N 3.41Å; G386-I389 PolarHBondContact O-N 3.43Å; G386-F390 PolarHBondContact O-N 2.87Å
387	S	90.1	Very high	84.5	Confident	19 Å²	19	62.8 Å²	62.8	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-36.6	178.3	-57	0	0	0	0	112.5	T383 V384 I385 I389 F390 R391	T383-S387 VanDerWaalsContact O-CB 3.31Å; T383-S387 WeakPolarHBondContact O-CB 3.33Å; T383-S387 PolarHBondContact O-N 3.37Å; T383-S387 PolarHBondContact O-OG 3.32Å; V384-S387 PolarHBondContact O-N 2.92Å; I385-S387 PolarHBondContact O-N 3.06Å; S387-I389 VanDerWaalsContact C-N 3.35Å; S387-F390 WeakPolarHBondContact O-CB 3.48Å; S387-F390 PolarHBondContact O-N 2.73Å; S387-R391 PolarHBondContact O-N 2.94Å
388	A	89.7	Confident	82.9	Confident	51 Å²	51	62.8 Å²	62.8	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-41	174.1	0	0	0	0	0	111.3	V384 I385 G386 F390 R391 V392	V384-A388 WeakPolarHBondContact O-CB 3.3Å; V384-A388 PolarHBondContact O-N 3.36Å; I385-A388 PolarHBondContact O-N 3.45Å; G386-A388 PolarHBondContact O-N 3.41Å; A388-F390 VanDerWaalsContact C-N 3.34Å; A388-R391 PolarHBondContact O-N 2.83Å; A388-V392 WeakPolarHBondContact O-CG2 3.28Å; A388-V392 PolarHBondContact O-N 2.81Å; A388-V392 VanDerWaalsContact O-N 3.1Å
389	I	87	Confident	80.5	Confident	21 Å²	21	64.5 Å²	64.5	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-41.6	175.7	-67.1	162.9	0	0	0	110.7	I385 G386 S387 R391 V392 D393 K525 V528	I385-I389 HydrophobicContact CG2-CD1 3.97Å; I385-I389 WeakPolarHBondContact O-CD1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.43Å; I385-I389 PolarHBondContact O-N 3.43Å; G386-I389 PolarHBondContact O-N 3.43Å; S387-I389 VanDerWaalsContact C-N 3.35Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.37Å; I389-V392 PolarHBondContact O-N 3.49Å; I389-D393 WeakPolarHBondContact O-CB 3.5Å; I389-D393 PolarHBondContact O-N 3.44Å; I389-K525 HydrophobicContact CG2-CB 4.05Å; I389-K525 HydrophobicContact CG2-CG 4.33Å; I389-V528 HydrophobicContact CD1-CB 3.79Å; I389-V528 HydrophobicContact CD1-CG1 3.23Å
390	F	83.1	Confident	78.6	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-56.3	-48.2	172.4	-78.2	-26.2	0	0	0	112	G386 S387 A388 V392 D393 F460 E463 G464 R467 L529 V594	G386-F390 PolarHBondContact O-N 2.87Å; S387-F390 WeakPolarHBondContact O-CB 3.48Å; S387-F390 PolarHBondContact O-N 2.73Å; A388-F390 VanDerWaalsContact C-N 3.34Å; F390-V392 PolarHBondContact O-N 2.83Å; F390-D393 CarbonylContact O-C 3.54Å; F390-D393 PolarHBondContact O-N 2.89Å; F390-F460 AromaticContact CD2-CD2 3.68Å; F390-F460 HydrophobicContact CD2-CD2 3.68Å; F390-F460 AromaticContact CD2-CE2 3.7Å; F390-F460 HydrophobicContact CD2-CE2 3.7Å; F390-F460 AromaticContact CE2-CD2 3.35Å; F390-F460 HydrophobicContact CE2-CD2 3.35Å; F390-F460 AromaticContact CE2-CE2 3.15Å; F390-F460 HydrophobicContact CE2-CE2 3.15Å; F390-F460 HydrophobicContact CE2-CG 4.18Å; F390-F460 AromaticContact CE2-CZ 3.88Å; F390-F460 HydrophobicContact CE2-CZ 3.88Å; F390-F460 WeakPolarHBondContact CE2-O 3.19Å; F390-F460 HydrophobicContact CZ-CD2 4.34Å; F390-F460 AromaticContact CZ-CE2 3.73Å; F390-F460 HydrophobicContact CZ-CE2 3.73Å; F390-F460 HydrophobicContact CZ-CZ 4.09Å; F390-E463 HydrophobicContact CB-CG 4.38Å; F390-E463 HydrophobicContact CD2-CB 4.42Å; F390-E463 HydrophobicContact CD2-CG 3.9Å; F390-E463 HydrophobicContact CE2-CG 4.5Å; F390-E463 HydrophobicContact CG-CG 4.36Å; F390-G464 VanDerWaalsContact CZ-CA 3.46Å; F390-R467 VanDerWaalsContact O-CZ 3.32Å; F390-R467 PolarHBondContact O-NH1 3.36Å; F390-R467 VanDerWaalsContact O-NH1 3.13Å; F390-R467 PolarHBondContact O-NH2 3.26Å; F390-L529 HydrophobicContact CD1-CD1 4.17Å; F390-L529 HydrophobicContact CD1-CD2 4.11Å; F390-L529 HydrophobicContact CE1-CD1 3.55Å; F390-L529 HydrophobicContact CE1-CD2 3.31Å; F390-L529 HydrophobicContact CE1-CG 4.07Å; F390-L529 HydrophobicContact CE2-CD1 4.35Å; F390-L529 HydrophobicContact CZ-CD1 3.63Å; F390-L529 HydrophobicContact CZ-CD2 3.99Å; F390-L529 HydrophobicContact CZ-CG 4.39Å; F390-V594 HydrophobicContact CZ-CG1 4.1Å
391	R	81.8	Confident	76.5	Confident	208 Å²	208	81.2 Å²	81.2	79%	0.785	41%	0.411	S	S	*	.	H	α-helix	trans	-60.6	-35.2	179.6	-167.1	177.3	178.4	175.7	0.5	112.9	S387 A388 I389 D393	S387-R391 PolarHBondContact O-N 2.94Å; A388-R391 PolarHBondContact O-N 2.83Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.37Å; R391-D393 VanDerWaalsContact C-N 3.35Å
392	V	79.9	Confident	74.9	Confident	100 Å²	100	79.1 Å²	79.1	61%	0.606	40%	0.397	S	S	*	.	H	α-helix	trans	-81.1	-15.3	179.2	178	0	0	0	0	112.3	A388 I389 F390 K525	A388-V392 WeakPolarHBondContact O-CG2 3.28Å; A388-V392 PolarHBondContact O-N 2.81Å; A388-V392 VanDerWaalsContact O-N 3.1Å; I389-V392 PolarHBondContact O-N 3.49Å; F390-V392 PolarHBondContact O-N 2.83Å; V392-K525 PolarHBondContact O-NZ 3.33Å
393	D	72.3	Confident	73.3	Confident	15 Å²	15	81 Å²	81	8%	0.08	41%	0.41	C	S	.	.	S	Bend	trans	-102.9	89.9	176.3	-149.6	45.6	0	0	0	110.1	I389 F390 R391 R395 R467 K525	I389-D393 WeakPolarHBondContact O-CB 3.5Å; I389-D393 PolarHBondContact O-N 3.44Å; F390-D393 CarbonylContact O-C 3.54Å; F390-D393 PolarHBondContact O-N 2.89Å; R391-D393 VanDerWaalsContact C-N 3.35Å; D393-R395 PolarHBondContact O-N 3.43Å; D393-R395 IonicContact OD2-CZ 3.06Å; D393-R395 IonicContact OD2-NE 3.05Å; D393-R395 PolarHBondContact OD2-NE 2.82Å; D393-R395 IonicContact OD2-NH2 3.17Å; D393-R395 PolarHBondContact OD2-NH2 2.99Å; D393-R467 PolarHBondContact O-NH1 2.94Å; D393-K525 HydrophobicContact CB-CD 4.16Å; D393-K525 WeakPolarHBondContact OD1-CD 3.26Å; D393-K525 IonicContact OD1-NZ 2.72Å; D393-K525 PolarHBondContact OD1-NZ 2.83Å
394	H	64	Low	71.9	Confident	183 Å²	183	82 Å²	82	85%	0.847	42%	0.416	S	S	*	.			trans	-69.5	98.7	173	-78.7	17.3	0	0	0	109.2
395	R	63.4	Low	70.7	Confident	53 Å²	53	80.5 Å²	80.5	20%	0.2	40%	0.402	C	S	.	.			trans	-110.8	149.5	166.9	-62.5	-170.1	-172.8	-169.9	0.4	108.5	D393	D393-R395 PolarHBondContact O-N 3.43Å; D393-R395 IonicContact OD2-CZ 3.06Å; D393-R395 IonicContact OD2-NE 3.05Å; D393-R395 PolarHBondContact OD2-NE 2.82Å; D393-R395 IonicContact OD2-NH2 3.17Å; D393-R395 PolarHBondContact OD2-NH2 2.99Å
396	E	56.9	Low	69.8	Low	150 Å²	150	80.7 Å²	80.7	70%	0.701	41%	0.41	S	S	*	.			trans	-62.9	139.8	171.7	-66.3	-174.2	178.5	0	0	109.3
397	H	58.6	Low	68.9	Low	105 Å²	105	82 Å²	82	49%	0.486	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-84	131	175	-74.1	-83.4	0	0	0	108	S399 E463	H397-S399 PolarHBondContact O-N 2.97Å; H397-E463 IonicContact CE1-OE1 3.74Å; H397-E463 PolarHBondContact CE1-OE1 2.93Å; H397-E463 IonicContact CE1-OE2 3.01Å
398	I	60.8	Low	68.3	Low	46 Å²	46	82.4 Å²	82.4	24%	0.236	42%	0.418	C	S	.	.			trans	-61.1	106.3	174.2	-64.7	172.3	0	0	0	107.8	E400 H466 E468	I398-E400 HydrophobicContact CG2-CB 3.85Å; I398-E400 HydrophobicContact CG2-CG 4.46Å; I398-E400 PolarHBondContact O-N 3.44Å; I398-H466 PolarHBondContact N-O 2.71Å; I398-E468 HydrophobicContact CB-CG 4.42Å; I398-E468 HydrophobicContact CD1-CB 4.5Å; I398-E468 HydrophobicContact CD1-CG 4Å; I398-E468 HydrophobicContact CG1-CB 4.16Å; I398-E468 HydrophobicContact CG1-CG 3.23Å
399	S	46.7	Very low	68	Low	117 Å²	117	81.2 Å²	81.2	82%	0.818	41%	0.405	S	S	*	.			trans	-83.6	13.3	176.6	-172.7	0	0	0	0	112.6	H397 K401	H397-S399 PolarHBondContact O-N 2.97Å; S399-K401 PolarHBondContact O-N 3.49Å
400	E	55.2	Low	67.8	Low	153 Å²	153	82.3 Å²	82.3	72%	0.715	42%	0.421	S	S	*	.			trans	-81.5	113.7	169.8	-70	-167.9	161.4	0	0	110.1	I398 N402	I398-E400 HydrophobicContact CG2-CB 3.85Å; I398-E400 HydrophobicContact CG2-CG 4.46Å; I398-E400 PolarHBondContact O-N 3.44Å; E400-N402 VanDerWaalsContact C-N 3.26Å; E400-N402 PolarHBondContact O-N 3.23Å
401	K	52.8	Low	67.9	Low	210 Å²	210	83.7 Å²	83.7	91%	0.913	43%	0.429	S	S	*	.			trans	-69.6	79.5	175.8	-71	-179	179.3	175.8	0	110.3	S399 P403	S399-K401 PolarHBondContact O-N 3.49Å; K401-P403 WeakPolarHBondContact O-CD 3.4Å
402	N	62	Low	68.2	Low	41 Å²	41	73.9 Å²	73.9	22%	0.219	39%	0.392	C	S	.	.			trans	-79.2	113.4	169.7	-169.3	-21.1	0	0	0	109.7	E400 T404 R405 S406	E400-N402 VanDerWaalsContact C-N 3.26Å; E400-N402 PolarHBondContact O-N 3.23Å; N402-T404 PolarHBondContact O-N 3.47Å; N402-T404 WeakPolarHBondContact OD1-CB 3.48Å; N402-T404 PolarHBondContact OD1-N 3.38Å; N402-T404 VanDerWaalsContact OD1-N 3.13Å; N402-R405 HydrophobicContact CB-CB 4.25Å; N402-R405 PolarHBondContact O-N 2.74Å; N402-R405 VanDerWaalsContact O-N 3.17Å; N402-S406 PolarHBondContact O-N 2.93Å
403	P	61.9	Low	68.6	Low	67 Å²	67	72 Å²	72	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-29.5	-178	24.9	-34.5	0	0	0	113	K401 L407	K401-P403 WeakPolarHBondContact O-CD 3.4Å; P403-L407 VanDerWaalsContact O-CB 3.29Å; P403-L407 WeakPolarHBondContact O-CB 3.39Å; P403-L407 PolarHBondContact O-N 3.01Å
404	T	64.6	Low	69.4	Low	21 Å²	21	72.8 Å²	72.8	13%	0.129	39%	0.392	C	S	.	.	H	α-helix	trans	-67	-38.1	178.4	-51.1	0	0	0	0	111.4	H137 N402 L407 D408	H137-T404 HydrophobicContact CB-CG2 4.46Å; N402-T404 PolarHBondContact O-N 3.47Å; N402-T404 WeakPolarHBondContact OD1-CB 3.48Å; N402-T404 PolarHBondContact OD1-N 3.38Å; N402-T404 VanDerWaalsContact OD1-N 3.13Å; T404-L407 WeakPolarHBondContact O-CB 3.18Å; T404-L407 PolarHBondContact O-N 2.9Å; T404-D408 PolarHBondContact O-N 3.24Å
405	R	69.4	Low	70.6	Confident	44 Å²	44	64.2 Å²	64.2	17%	0.166	35%	0.353	C	S	.	.	H	α-helix	trans	-72.1	-41.2	177.1	-168.8	-168.8	-162.2	172.4	13.4	112.2	N402 L407 D408 V409 L465 H466 R467	N402-R405 HydrophobicContact CB-CB 4.25Å; N402-R405 PolarHBondContact O-N 2.74Å; N402-R405 VanDerWaalsContact O-N 3.17Å; R405-L407 PolarHBondContact O-N 3.33Å; R405-D408 PolarHBondContact O-N 2.95Å; R405-V409 PolarHBondContact O-N 3.33Å; R405-L465 PolarHBondContact NE-O 3.47Å; R405-L465 PolarHBondContact NH2-O 3.4Å; R405-H466 VanDerWaalsContact CZ-CA 3.48Å; R405-H466 PolarHBondContact NH2-O 3.11Å; R405-H466 VanDerWaalsContact NH2-O 3.16Å; R405-R467 PolarHBondContact NH2-O 3.38Å
406	S	73.8	Confident	72	Confident	82 Å²	82	61.7 Å²	61.7	57%	0.573	34%	0.344	S	S	*	.	H	α-helix	trans	-63.2	-32.9	173.3	178.7	0	0	0	0	111.8	N402 G410	N402-S406 PolarHBondContact O-N 2.93Å; S406-G410 PolarHBondContact O-N 3.02Å; S406-G410 VanDerWaalsContact O-N 3.11Å
407	L	73.4	Confident	73.7	Confident	27 Å²	27	59 Å²	59	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-71.2	-42.8	175.5	176.6	55.9	0	0	0	112	F302 V303 K306 P403 T404 R405 V409 G410 L411	F302-L407 HydrophobicContact CD1-CD1 3.62Å; F302-L407 HydrophobicContact CD1-CD2 3.7Å; F302-L407 HydrophobicContact CD1-CG 4.29Å; F302-L407 HydrophobicContact CE1-CD1 3.36Å; F302-L407 HydrophobicContact CE1-CD2 3.93Å; F302-L407 HydrophobicContact CE1-CG 4.28Å; V303-L407 HydrophobicContact CB-CD2 4.2Å; V303-L407 HydrophobicContact CG2-CD2 3.51Å; V303-L407 HydrophobicContact CG2-CG 4.43Å; K306-L407 HydrophobicContact CG-CD2 4.42Å; P403-L407 VanDerWaalsContact O-CB 3.29Å; P403-L407 WeakPolarHBondContact O-CB 3.39Å; P403-L407 PolarHBondContact O-N 3.01Å; T404-L407 WeakPolarHBondContact O-CB 3.18Å; T404-L407 PolarHBondContact O-N 2.9Å; R405-L407 PolarHBondContact O-N 3.33Å; L407-V409 VanDerWaalsContact C-N 3.26Å; L407-V409 PolarHBondContact O-N 2.97Å; L407-G410 CarbonylContact O-C 3.56Å; L407-G410 WeakPolarHBondContact O-CA 3.41Å; L407-G410 PolarHBondContact O-N 3.3Å; L407-L411 HydrophobicContact CD1-CD1 4.23Å; L407-L411 HydrophobicContact CD1-CG 4.05Å; L407-L411 HydrophobicContact CG-CD1 4.06Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CG 3.33Å; L407-L411 PolarHBondContact O-N 3.49Å
408	D	76.9	Confident	75.2	Confident	29 Å²	29	54.2 Å²	54.2	16%	0.155	31%	0.312	C	S	.	.	H	α-helix	trans	-55.6	-44.7	176	-155.7	52.3	0	0	0	111	T404 R405 G410 L411 L412 H586	T404-D408 PolarHBondContact O-N 3.24Å; R405-D408 PolarHBondContact O-N 2.95Å; D408-G410 PolarHBondContact O-N 3.32Å; D408-L411 PolarHBondContact O-N 3.19Å; D408-L412 WeakPolarHBondContact O-CB 3.2Å; D408-L412 PolarHBondContact O-N 2.95Å; D408-H586 IonicContact OD1-CE1 3.53Å; D408-H586 PolarHBondContact OD1-CE1 2.98Å; D408-H586 IonicContact OD1-NE2 3.43Å; D408-H586 PolarHBondContact OD1-NE2 3.36Å; D408-H586 VanDerWaalsContact OD1-NE2 3.14Å; D408-H586 IonicContact OD2-NE2 3.1Å
409	V	83.3	Confident	76.7	Confident	25 Å²	25	52.9 Å²	52.9	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-43.3	172.9	172.2	0	0	0	0	112.7	R405 L407 L411 L412 V413 I462	R405-V409 PolarHBondContact O-N 3.33Å; L407-V409 VanDerWaalsContact C-N 3.26Å; L407-V409 PolarHBondContact O-N 2.97Å; V409-L411 VanDerWaalsContact C-N 3.32Å; V409-L411 PolarHBondContact O-N 3.04Å; V409-L412 PolarHBondContact O-N 3.26Å; V409-V413 HydrophobicContact CG1-CG2 4.43Å; V409-V413 WeakPolarHBondContact O-CG2 3.25Å; V409-V413 PolarHBondContact O-N 3.4Å; V409-I462 HydrophobicContact CB-CG1 4.5Å; V409-I462 HydrophobicContact CG1-CD1 3.78Å; V409-I462 HydrophobicContact CG1-CG1 3.81Å; V409-I462 HydrophobicContact CG1-CG2 4.27Å; V409-I462 HydrophobicContact CG2-CG1 4.08Å; V409-I462 HydrophobicContact CG2-CG2 4.28Å
410	G	83.1	Confident	79	Confident	44 Å²	44	48.9 Å²	48.9	45%	0.454	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176.1	0	0	0	0	0	112.9	S406 L407 D408 G414	S406-G410 PolarHBondContact O-N 3.02Å; S406-G410 VanDerWaalsContact O-N 3.11Å; L407-G410 CarbonylContact O-C 3.56Å; L407-G410 WeakPolarHBondContact O-CA 3.41Å; L407-G410 PolarHBondContact O-N 3.3Å; D408-G410 PolarHBondContact O-N 3.32Å; G410-G414 PolarHBondContact O-N 2.94Å
411	L	85.3	Confident	80.8	Confident	38 Å²	38	45.4 Å²	45.4	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-44.4	176.4	-73	170.6	0	0	0	111.5	A299 L407 D408 V409 G414 A415	A299-L411 HydrophobicContact CB-CD1 4.41Å; A299-L411 HydrophobicContact CB-CD2 4.39Å; L407-L411 HydrophobicContact CD1-CD1 4.23Å; L407-L411 HydrophobicContact CD1-CG 4.05Å; L407-L411 HydrophobicContact CG-CD1 4.06Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CG 3.33Å; L407-L411 PolarHBondContact O-N 3.49Å; D408-L411 PolarHBondContact O-N 3.19Å; V409-L411 VanDerWaalsContact C-N 3.32Å; V409-L411 PolarHBondContact O-N 3.04Å; L411-G414 PolarHBondContact O-N 3.31Å; L411-A415 VanDerWaalsContact O-CB 3.23Å; L411-A415 WeakPolarHBondContact O-CB 3.29Å; L411-A415 PolarHBondContact O-N 3.38Å
412	L	87.5	Confident	82.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-50.5	176.4	-177	77	0	0	0	111.3	D408 V409 A415 S416 I461 I462 Y583	D408-L412 WeakPolarHBondContact O-CB 3.2Å; D408-L412 PolarHBondContact O-N 2.95Å; V409-L412 PolarHBondContact O-N 3.26Å; L412-A415 PolarHBondContact O-N 3.23Å; L412-S416 PolarHBondContact O-N 2.97Å; L412-S416 VanDerWaalsContact O-N 3.07Å; L412-I461 HydrophobicContact CD1-CD1 4.44Å; L412-I461 HydrophobicContact CD2-CB 4.03Å; L412-I461 HydrophobicContact CD2-CG2 3.7Å; L412-I462 HydrophobicContact CD2-CG1 4.12Å; L412-Y583 HydrophobicContact CD1-CD2 3.9Å; L412-Y583 HydrophobicContact CD1-CE2 3.56Å; L412-Y583 HydrophobicContact CG-CD2 4.46Å; L412-Y583 HydrophobicContact CG-CE2 4.04Å
413	V	89.1	Confident	84.2	Confident	62 Å²	62	33.8 Å²	33.8	38%	0.376	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-46.1	178.8	174.5	0	0	0	0	110.6	V409 A415 S416 L417 I462	V409-V413 HydrophobicContact CG1-CG2 4.43Å; V409-V413 WeakPolarHBondContact O-CG2 3.25Å; V409-V413 PolarHBondContact O-N 3.4Å; V413-A415 VanDerWaalsContact C-N 3.34Å; V413-A415 PolarHBondContact O-N 2.85Å; V413-S416 PolarHBondContact O-N 3.12Å; V413-S416 PolarHBondContact O-OG 3.38Å; V413-L417 PolarHBondContact O-N 3.36Å; V413-I462 HydrophobicContact CG2-CD1 3.97Å
414	G	88.5	Confident	85.8	Confident	30 Å²	30	36.6 Å²	36.6	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-42.8	177.9	0	0	0	0	0	113	G410 L411 L417	G410-G414 PolarHBondContact O-N 2.94Å; L411-G414 PolarHBondContact O-N 3.31Å; G414-L417 WeakPolarHBondContact O-CB 3.13Å; G414-L417 PolarHBondContact O-N 2.88Å
415	A	90	Very high	87.1	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-38.7	176.7	0	0	0	0	0	112.4	L411 L412 V413 L417 G418 F579 F582 Y583	L411-A415 VanDerWaalsContact O-CB 3.23Å; L411-A415 WeakPolarHBondContact O-CB 3.29Å; L411-A415 PolarHBondContact O-N 3.38Å; L412-A415 PolarHBondContact O-N 3.23Å; V413-A415 VanDerWaalsContact C-N 3.34Å; V413-A415 PolarHBondContact O-N 2.85Å; A415-L417 PolarHBondContact O-N 2.9Å; A415-G418 PolarHBondContact O-N 3.37Å; A415-F579 CarbonylContact O-C 3.58Å; A415-F579 WeakPolarHBondContact O-CB 3.48Å; A415-F582 HydrophobicContact CB-CD1 3.64Å; A415-F582 HydrophobicContact CB-CE1 4.23Å; A415-Y583 HydrophobicContact CB-CD2 4.38Å
416	S	93.1	Very high	88.2	Confident	1 Å²	1	37 Å²	37	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-22.5	178.8	72	0	0	0	0	113.6	L412 V413 G418 Q419 F420 N458	L412-S416 PolarHBondContact O-N 2.97Å; L412-S416 VanDerWaalsContact O-N 3.07Å; V413-S416 PolarHBondContact O-N 3.12Å; V413-S416 PolarHBondContact O-OG 3.38Å; S416-G418 VanDerWaalsContact C-N 3.31Å; S416-G418 PolarHBondContact O-N 3.16Å; S416-Q419 PolarHBondContact O-N 3.01Å; S416-F420 WeakPolarHBondContact O-CD2 3.49Å; S416-F420 PolarHBondContact O-N 3.45Å; S416-F420 WeakPolarHBondContact OG-CE2 3.37Å; S416-N458 WeakPolarHBondContact CB-ND2 3.26Å; S416-N458 PolarHBondContact OG-ND2 3.42Å
417	L	91.7	Very high	89.2	Confident	94 Å²	94	34.5 Å²	34.5	49%	0.492	19%	0.191	S	C	.	.	H	α-helix	trans	-59.3	-38.1	179.9	-69	173.6	0	0	0	112.8	V413 G414 A415 Q419 F420 I421	V413-L417 PolarHBondContact O-N 3.36Å; G414-L417 WeakPolarHBondContact O-CB 3.13Å; G414-L417 PolarHBondContact O-N 2.88Å; A415-L417 PolarHBondContact O-N 2.9Å; L417-Q419 VanDerWaalsContact C-N 3.34Å; L417-Q419 PolarHBondContact O-N 2.94Å; L417-F420 PolarHBondContact O-N 3.09Å; L417-I421 VanDerWaalsContact O-CG1 3.24Å; L417-I421 WeakPolarHBondContact O-CG1 3.5Å; L417-I421 PolarHBondContact O-N 3.2Å
418	G	90.4	Very high	90.1	Very high	3 Å²	3	37 Å²	37	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-44.7	179.6	0	0	0	0	0	112.3	A415 S416 I421 I422 G576	A415-G418 PolarHBondContact O-N 3.37Å; S416-G418 VanDerWaalsContact C-N 3.31Å; S416-G418 PolarHBondContact O-N 3.16Å; G418-I421 PolarHBondContact O-N 3.06Å; G418-I422 WeakPolarHBondContact O-CG1 3.41Å; G418-I422 PolarHBondContact O-N 3.05Å; G418-I422 VanDerWaalsContact O-N 3.14Å; G418-G576 CarbonylContact C-O 3.44Å
419	Q	92.4	Very high	90.8	Very high	18 Å²	18	35.7 Å²	35.7	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-34	177.7	-168.8	61.7	43.8	0	0	112.5	S416 L417 S423 M450 L454	S416-Q419 PolarHBondContact O-N 3.01Å; L417-Q419 VanDerWaalsContact C-N 3.34Å; L417-Q419 PolarHBondContact O-N 2.94Å; Q419-S423 WeakPolarHBondContact O-CB 3.5Å; Q419-S423 PolarHBondContact O-N 3.17Å; Q419-S423 PolarHBondContact O-OG 3.18Å; Q419-M450 HydrophobicContact CG-CE 3.51Å; Q419-L454 HydrophobicContact CB-CD1 3.76Å; Q419-L454 HydrophobicContact CG-CD1 3.49Å; Q419-L454 VanDerWaalsContact CG-CD1 3.49Å
420	F	94.6	Very high	91.2	Very high	34 Å²	34	34.5 Å²	34.5	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-47.7	171.1	-78.9	-58.6	0	0	0	111.3	S416 L417 I422 S423 Y424 V451 L454	S416-F420 WeakPolarHBondContact O-CD2 3.49Å; S416-F420 PolarHBondContact O-N 3.45Å; S416-F420 WeakPolarHBondContact OG-CE2 3.37Å; L417-F420 PolarHBondContact O-N 3.09Å; F420-I422 PolarHBondContact O-N 3.32Å; F420-S423 PolarHBondContact O-N 3.05Å; F420-Y424 HydrophobicContact CB-CD2 4.21Å; F420-Y424 HydrophobicContact CB-CE2 4.19Å; F420-Y424 HydrophobicContact CD1-CE2 4.08Å; F420-Y424 HydrophobicContact CG-CE2 4.48Å; F420-Y424 WeakPolarHBondContact O-CD2 3.43Å; F420-Y424 PolarHBondContact O-N 3.31Å; F420-V451 HydrophobicContact CD1-CB 4.48Å; F420-V451 HydrophobicContact CD1-CG1 4.2Å; F420-V451 HydrophobicContact CD1-CG2 4.23Å; F420-V451 HydrophobicContact CE1-CB 4.38Å; F420-V451 HydrophobicContact CE1-CG1 3.96Å; F420-L454 HydrophobicContact CD1-CD1 4.43Å; F420-L454 HydrophobicContact CE1-CB 3.94Å; F420-L454 HydrophobicContact CE1-CD1 4.34Å; F420-L454 HydrophobicContact CE2-CB 4.34Å; F420-L454 HydrophobicContact CZ-CB 3.68Å
421	I	93.3	Very high	91.6	Very high	79 Å²	79	36.9 Å²	36.9	41%	0.405	20%	0.199	S	C	.	.	H	α-helix	trans	-56.6	-53	179.1	-70.1	164.7	0	0	0	110	L417 G418 S423 Y424 F425 I572	L417-I421 VanDerWaalsContact O-CG1 3.24Å; L417-I421 WeakPolarHBondContact O-CG1 3.5Å; L417-I421 PolarHBondContact O-N 3.2Å; G418-I421 PolarHBondContact O-N 3.06Å; I421-S423 VanDerWaalsContact C-N 3.29Å; I421-S423 PolarHBondContact O-N 3.12Å; I421-Y424 PolarHBondContact O-N 3.28Å; I421-F425 HydrophobicContact CG2-CD2 3.91Å; I421-F425 HydrophobicContact CG2-CE2 3.97Å; I421-F425 VanDerWaalsContact O-CD2 3.28Å; I421-F425 WeakPolarHBondContact O-CD2 3.27Å; I421-F425 PolarHBondContact O-N 2.96Å; I421-I572 HydrophobicContact CG2-CG2 4.1Å
422	I	92	Very high	91.9	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-55.7	-46.5	178.5	-67.1	169.4	0	0	0	111	G418 F420 S426 Q554 W569 I572 G576 L577	G418-I422 WeakPolarHBondContact O-CG1 3.41Å; G418-I422 PolarHBondContact O-N 3.05Å; G418-I422 VanDerWaalsContact O-N 3.14Å; F420-I422 PolarHBondContact O-N 3.32Å; I422-S426 WeakPolarHBondContact O-CB 3.35Å; I422-S426 PolarHBondContact O-N 3.12Å; I422-Q554 HydrophobicContact CG2-CG 4.39Å; I422-W569 HydrophobicContact CG2-CH2 4.24Å; I422-I572 HydrophobicContact CG1-CG2 4.34Å; I422-G576 VanDerWaalsContact CD1-C 3.49Å; I422-L577 HydrophobicContact CD1-CB 4.31Å
423	S	93.8	Very high	91.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-42.1	-176.4	-51.5	0	0	0	0	112	Q419 F420 I421 S426 I427	Q419-S423 WeakPolarHBondContact O-CB 3.5Å; Q419-S423 PolarHBondContact O-N 3.17Å; Q419-S423 PolarHBondContact O-OG 3.18Å; F420-S423 PolarHBondContact O-N 3.05Å; I421-S423 VanDerWaalsContact C-N 3.29Å; I421-S423 PolarHBondContact O-N 3.12Å; S423-S426 PolarHBondContact O-N 3.37Å; S423-I427 WeakPolarHBondContact O-CB 3.47Å; S423-I427 WeakPolarHBondContact O-CD1 3.32Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 3.15Å
424	Y	94.9	Very high	91.6	Very high	126 Å²	126	39.8 Å²	39.8	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-66.8	-42.7	178	-80.5	-64.4	0	0	0	112.6	F420 I421 I427 V428 V451	F420-Y424 HydrophobicContact CB-CD2 4.21Å; F420-Y424 HydrophobicContact CB-CE2 4.19Å; F420-Y424 HydrophobicContact CD1-CE2 4.08Å; F420-Y424 HydrophobicContact CG-CE2 4.48Å; F420-Y424 WeakPolarHBondContact O-CD2 3.43Å; F420-Y424 PolarHBondContact O-N 3.31Å; I421-Y424 PolarHBondContact O-N 3.28Å; Y424-I427 PolarHBondContact O-N 3.09Å; Y424-V428 WeakPolarHBondContact O-CG2 3.41Å; Y424-V428 PolarHBondContact O-N 3.04Å; Y424-V451 HydrophobicContact CE2-CG2 4.46Å
425	F	93.6	Very high	91.3	Very high	66 Å²	66	39.1 Å²	39.1	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-42.6	175.7	-85.7	-101.5	0	0	0	111.3	I421 V428 A429 Y564 M568 W569 I572	I421-F425 HydrophobicContact CG2-CD2 3.91Å; I421-F425 HydrophobicContact CG2-CE2 3.97Å; I421-F425 VanDerWaalsContact O-CD2 3.28Å; I421-F425 WeakPolarHBondContact O-CD2 3.27Å; I421-F425 PolarHBondContact O-N 2.96Å; F425-V428 PolarHBondContact O-N 3.45Å; F425-A429 PolarHBondContact O-N 2.86Å; F425-Y564 HydrophobicContact CB-CE2 4.1Å; F425-Y564 HydrophobicContact CD1-CD1 4.44Å; F425-Y564 AromaticContact CD1-CE1 3.78Å; F425-Y564 HydrophobicContact CD1-CE1 3.78Å; F425-Y564 AromaticContact CD1-CE2 3.93Å; F425-Y564 HydrophobicContact CD1-CE2 3.93Å; F425-Y564 AromaticContact CD1-CZ 3.51Å; F425-Y564 HydrophobicContact CE1-CE1 4.17Å; F425-Y564 WeakPolarHBondContact O-CE2 3.44Å; F425-Y564 PolarHBondContact O-OH 2.96Å; F425-M568 HydrophobicContact CD1-CE 4.45Å; F425-M568 HydrophobicContact CE1-CE 3.7Å; F425-W569 HydrophobicContact CB-CZ3 4.03Å; F425-I572 HydrophobicContact CD1-CD1 3.46Å; F425-I572 VanDerWaalsContact CD1-CD1 3.46Å; F425-I572 HydrophobicContact CE1-CD1 3.61Å; F425-I572 HydrophobicContact CG-CD1 4.03Å; F425-I572 HydrophobicContact CG-CG2 4.5Å; F425-I572 HydrophobicContact CZ-CD1 4.27Å
426	S	92.1	Very high	90.7	Very high	6 Å²	6	48 Å²	48	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-47.6	174.4	-178.3	0	0	0	0	111.7	I422 S423 V428 A429 M430 N443 E560	I422-S426 WeakPolarHBondContact O-CB 3.35Å; I422-S426 PolarHBondContact O-N 3.12Å; S423-S426 PolarHBondContact O-N 3.37Å; S426-V428 VanDerWaalsContact C-N 3.32Å; S426-V428 PolarHBondContact O-N 3.47Å; S426-A429 PolarHBondContact O-N 2.83Å; S426-A429 VanDerWaalsContact O-N 3.17Å; S426-M430 VanDerWaalsContact O-CG 3.25Å; S426-M430 WeakPolarHBondContact O-CG 3.32Å; S426-M430 PolarHBondContact O-N 3.5Å; S426-N443 PolarHBondContact OG-ND2 3.06Å; S426-E560 PolarHBondContact OG-OE1 3.25Å
427	I	93.5	Very high	90.2	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.159	28%	0.275	C	S	.	.	H	α-helix	trans	-55.4	-46.5	176.6	-69.7	162	0	0	0	111.4	S423 Y424 M430 V431 L444 I448 V451	S423-I427 WeakPolarHBondContact O-CB 3.47Å; S423-I427 WeakPolarHBondContact O-CD1 3.32Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 3.15Å; Y424-I427 PolarHBondContact O-N 3.09Å; I427-M430 PolarHBondContact O-N 3.28Å; I427-V431 HydrophobicContact CG2-CG2 4.31Å; I427-V431 WeakPolarHBondContact O-CB 3.4Å; I427-V431 VanDerWaalsContact O-CG2 3.28Å; I427-V431 WeakPolarHBondContact O-CG2 3.45Å; I427-V431 PolarHBondContact O-N 3.05Å; I427-L444 HydrophobicContact CB-CD1 4.41Å; I427-L444 HydrophobicContact CG1-CD1 4.32Å; I427-L444 HydrophobicContact CG2-CD1 4.06Å; I427-I448 HydrophobicContact CD1-CG1 4.06Å; I427-I448 HydrophobicContact CG1-CG1 4.19Å; I427-V451 HydrophobicContact CD1-CG2 4.21Å
428	V	94.1	Very high	89.8	Confident	80 Å²	80	51.2 Å²	51.2	49%	0.485	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-46	179.3	169.8	0	0	0	0	111	Y424 F425 S426 V431 A432	Y424-V428 WeakPolarHBondContact O-CG2 3.41Å; Y424-V428 PolarHBondContact O-N 3.04Å; F425-V428 PolarHBondContact O-N 3.45Å; S426-V428 VanDerWaalsContact C-N 3.32Å; S426-V428 PolarHBondContact O-N 3.47Å; V428-V431 PolarHBondContact O-N 3Å; V428-A432 VanDerWaalsContact O-CB 3.23Å; V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 3.1Å
429	A	90.9	Very high	89.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-45.2	176.7	0	0	0	0	0	112.1	F425 S426 A432 T433 E560 F563 Y564	F425-A429 PolarHBondContact O-N 2.86Å; S426-A429 PolarHBondContact O-N 2.83Å; S426-A429 VanDerWaalsContact O-N 3.17Å; A429-A432 PolarHBondContact O-N 3.05Å; A429-T433 WeakPolarHBondContact O-CG2 3.33Å; A429-T433 PolarHBondContact O-N 3.14Å; A429-T433 PolarHBondContact O-OG1 3.27Å; A429-E560 HydrophobicContact CB-CG 4.03Å; A429-F563 HydrophobicContact CB-CB 4.19Å; A429-F563 HydrophobicContact CB-CD1 3.72Å; A429-F563 HydrophobicContact CB-CE1 4.31Å; A429-F563 HydrophobicContact CB-CG 4Å; A429-Y564 HydrophobicContact CB-CD2 4.44Å; A429-Y564 HydrophobicContact CB-CE2 3.81Å
430	M	91.3	Very high	89.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-38.9	-178.4	-61.2	-36.4	-60.8	0	0	112.8	S426 I427 T433 G434 A435 D440 N443 L444 T559	S426-M430 VanDerWaalsContact O-CG 3.25Å; S426-M430 WeakPolarHBondContact O-CG 3.32Å; S426-M430 PolarHBondContact O-N 3.5Å; I427-M430 PolarHBondContact O-N 3.28Å; M430-T433 PolarHBondContact O-OG1 3.47Å; M430-G434 PolarHBondContact O-N 3Å; M430-A435 PolarHBondContact O-N 2.86Å; M430-A435 VanDerWaalsContact O-N 3.1Å; M430-D440 HydrophobicContact CE-CB 3.17Å; M430-D440 WeakPolarHBondContact CE-O 3.41Å; M430-N443 PolarHBondContact SD-ND2 2.9Å; M430-L444 HydrophobicContact CB-CB 3.97Å; M430-L444 HydrophobicContact CB-CD1 4.13Å; M430-L444 HydrophobicContact CB-CG 4.49Å; M430-L444 HydrophobicContact CG-CB 4.25Å; M430-T559 HydrophobicContact CE-CG2 3.84Å; M430-T559 HydrophobicContact SD-CG2 3.85Å
431	V	91.8	Very high	89	Confident	95 Å²	95	57.3 Å²	57.3	58%	0.576	31%	0.307	S	S	*	.	H	α-helix	trans	-68.9	-40.9	176.2	172.5	0	0	0	0	110.8	I427 V428 G434 L444	I427-V431 HydrophobicContact CG2-CG2 4.31Å; I427-V431 WeakPolarHBondContact O-CB 3.4Å; I427-V431 VanDerWaalsContact O-CG2 3.28Å; I427-V431 WeakPolarHBondContact O-CG2 3.45Å; I427-V431 PolarHBondContact O-N 3.05Å; V428-V431 PolarHBondContact O-N 3Å; V431-G434 PolarHBondContact O-N 2.62Å; V431-L444 HydrophobicContact CG2-CD1 4.06Å
432	A	90.6	Very high	88.8	Confident	63 Å²	63	55.4 Å²	55.4	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-68	-35.8	-179.5	0	0	0	0	0	113.1	V428 A429 G434 F563	V428-A432 VanDerWaalsContact O-CB 3.23Å; V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 3.1Å; A429-A432 PolarHBondContact O-N 3.05Å; A432-G434 VanDerWaalsContact C-N 3.28Å; A432-F563 HydrophobicContact CB-CD2 4.44Å; A432-F563 HydrophobicContact CB-CE2 3.56Å; A432-F563 HydrophobicContact CB-CZ 3.75Å
433	T	87.9	Confident	88.7	Confident	51 Å²	51	55.5 Å²	55.5	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-80.3	-10.1	176.8	56.7	0	0	0	0	113.2	A429 M430 T559 F563	A429-T433 WeakPolarHBondContact O-CG2 3.33Å; A429-T433 PolarHBondContact O-N 3.14Å; A429-T433 PolarHBondContact O-OG1 3.27Å; M430-T433 PolarHBondContact O-OG1 3.47Å; T433-T559 HydrophobicContact CG2-CG2 4Å; T433-F563 HydrophobicContact CG2-CD2 4.16Å
434	G	84.1	Confident	88.6	Confident	47 Å²	47	57 Å²	57	49%	0.485	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	15.9	177.2	0	0	0	0	0	114.5	M430 V431 A432 K436	M430-G434 PolarHBondContact O-N 3Å; V431-G434 PolarHBondContact O-N 2.62Å; A432-G434 VanDerWaalsContact C-N 3.28Å; G434-K436 VanDerWaalsContact C-N 3.28Å; G434-K436 PolarHBondContact O-N 3.38Å; G434-K436 VanDerWaalsContact O-N 3.09Å
435	A	81.9	Confident	88.5	Confident	17 Å²	17	54 Å²	54	14%	0.14	30%	0.301	C	S	.	.			trans	38.6	51.5	175.3	0	0	0	0	0	114.6	M430 G437 D440 R441 L444	M430-A435 PolarHBondContact O-N 2.86Å; M430-A435 VanDerWaalsContact O-N 3.1Å; A435-G437 VanDerWaalsContact C-N 3.31Å; A435-G437 PolarHBondContact O-N 2.67Å; A435-D440 HydrophobicContact CB-CB 4.18Å; A435-R441 HydrophobicContact CB-CG 4.1Å; A435-R441 WeakPolarHBondContact O-CG 3.42Å; A435-L444 HydrophobicContact CB-CD2 4.46Å
436	K	76.8	Confident	88.4	Confident	190 Å²	190	52.2 Å²	52.2	83%	0.826	29%	0.292	S	S	*	.			trans	-73.1	-23.6	-171.4	-64.8	-179	-176	173.4	0	112.4	G434	G434-K436 VanDerWaalsContact C-N 3.28Å; G434-K436 PolarHBondContact O-N 3.38Å; G434-K436 VanDerWaalsContact O-N 3.09Å
437	G	82.1	Confident	88.4	Confident	24 Å²	24	52 Å²	52	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	-87.3	160.2	178.3	0	0	0	0	0	115.4	A435 D440 R441	A435-G437 VanDerWaalsContact C-N 3.31Å; A435-G437 PolarHBondContact O-N 2.67Å; G437-D440 WeakPolarHBondContact CA-OD2 3.5Å; G437-D440 PolarHBondContact N-OD2 3.07Å; G437-R441 WeakPolarHBondContact O-CG 3.46Å; G437-R441 PolarHBondContact O-N 3.35Å
438	H	84.6	Confident	88.5	Confident	138 Å²	138	54.1 Å²	54.1	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-65.1	-43.8	171.1	-67.6	82	0	0	0	111.2	R441 L442	H438-R441 PolarHBondContact CD2-NH2 3.47Å; H438-R441 PolarHBondContact NE2-NH2 3.45Å; H438-R441 VanDerWaalsContact NE2-NH2 3.12Å; H438-R441 PolarHBondContact O-N 3Å; H438-L442 WeakPolarHBondContact O-CG 3.42Å; H438-L442 PolarHBondContact O-N 3.47Å; H438-L442 VanDerWaalsContact O-N 3.12Å
439	L	83.4	Confident	88.6	Confident	35 Å²	35	51.9 Å²	51.9	18%	0.183	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-41.2	177.4	-163.8	62.7	0	0	0	111.6	V365 F369 R441 L442 N443 H557	V365-L439 HydrophobicContact CG1-CD1 4.01Å; V365-L439 HydrophobicContact CG1-CD2 4.2Å; F369-L439 HydrophobicContact CD2-CD1 3.66Å; F369-L439 HydrophobicContact CE2-CD1 3.97Å; F369-L439 HydrophobicContact CE2-CG 4.47Å; L439-R441 VanDerWaalsContact C-N 3.34Å; L439-R441 PolarHBondContact O-N 3.26Å; L439-L442 WeakPolarHBondContact O-CB 3.47Å; L439-L442 PolarHBondContact O-N 3.13Å; L439-L442 VanDerWaalsContact O-N 3.16Å; L439-N443 WeakPolarHBondContact O-CB 3.36Å; L439-N443 PolarHBondContact O-N 3.45Å; L439-H557 WeakPolarHBondContact CD2-ND1 3.28Å
440	D	86.4	Confident	88.7	Confident	25 Å²	25	52.1 Å²	52.1	13%	0.134	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-45.3	175.3	-64	-9.9	0	0	0	112.5	M430 A435 G437 N443 L444 H557 T559	M430-D440 HydrophobicContact CE-CB 3.17Å; M430-D440 WeakPolarHBondContact CE-O 3.41Å; A435-D440 HydrophobicContact CB-CB 4.18Å; G437-D440 WeakPolarHBondContact CA-OD2 3.5Å; G437-D440 PolarHBondContact N-OD2 3.07Å; D440-N443 PolarHBondContact O-N 3.05Å; D440-L444 PolarHBondContact O-N 3Å; D440-H557 IonicContact OD1-CE1 2.99Å; D440-H557 PolarHBondContact OD1-CE1 3.32Å; D440-H557 IonicContact OD1-NE2 2.95Å; D440-H557 PolarHBondContact OD1-NE2 3.44Å; D440-T559 PolarHBondContact OD1-OG1 3.41Å
441	R	89.1	Confident	89	Confident	122 Å²	122	53.3 Å²	53.3	46%	0.46	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-37.4	177.9	-70.7	-176.5	-60.9	-163.8	0.2	112.1	A435 G437 H438 L439 T445	A435-R441 HydrophobicContact CB-CG 4.1Å; A435-R441 WeakPolarHBondContact O-CG 3.42Å; G437-R441 WeakPolarHBondContact O-CG 3.46Å; G437-R441 PolarHBondContact O-N 3.35Å; H438-R441 PolarHBondContact CD2-NH2 3.47Å; H438-R441 PolarHBondContact NE2-NH2 3.45Å; H438-R441 VanDerWaalsContact NE2-NH2 3.12Å; H438-R441 PolarHBondContact O-N 3Å; L439-R441 VanDerWaalsContact C-N 3.34Å; L439-R441 PolarHBondContact O-N 3.26Å; R441-T445 WeakPolarHBondContact O-CB 3.39Å; R441-T445 PolarHBondContact O-N 3.45Å; R441-T445 PolarHBondContact O-OG1 2.92Å
442	L	89.9	Confident	89.2	Confident	39 Å²	39	52.7 Å²	52.7	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-43.3	174.2	-73	172.6	0	0	0	110.8	M366 F369 V370 I373 H438 L439 T445 W446	M366-L442 HydrophobicContact CG-CD1 3.73Å; F369-L442 HydrophobicContact CB-CB 4.47Å; V370-L442 HydrophobicContact CG2-CD1 4.16Å; V370-L442 HydrophobicContact CG2-CD2 4.18Å; I373-L442 HydrophobicContact CD1-CB 4.43Å; I373-L442 HydrophobicContact CD1-CD2 3.92Å; H438-L442 WeakPolarHBondContact O-CG 3.42Å; H438-L442 PolarHBondContact O-N 3.47Å; H438-L442 VanDerWaalsContact O-N 3.12Å; L439-L442 WeakPolarHBondContact O-CB 3.47Å; L439-L442 PolarHBondContact O-N 3.13Å; L439-L442 VanDerWaalsContact O-N 3.16Å; L442-T445 WeakPolarHBondContact O-CB 3.28Å; L442-T445 PolarHBondContact O-N 3.45Å; L442-W446 WeakPolarHBondContact O-CB 3.43Å; L442-W446 PolarHBondContact O-N 3.48Å
443	N	89.5	Confident	89.4	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-42.3	178.5	-169.2	32.2	0	0	0	112.3	S426 M430 L439 D440 T445 W446 G447 E560	S426-N443 PolarHBondContact OG-ND2 3.06Å; M430-N443 PolarHBondContact SD-ND2 2.9Å; L439-N443 WeakPolarHBondContact O-CB 3.36Å; L439-N443 PolarHBondContact O-N 3.45Å; D440-N443 PolarHBondContact O-N 3.05Å; N443-T445 VanDerWaalsContact C-N 3.33Å; N443-T445 PolarHBondContact O-N 3.2Å; N443-W446 WeakPolarHBondContact O-CB 3.41Å; N443-W446 PolarHBondContact O-N 2.77Å; N443-G447 PolarHBondContact O-N 3.49Å; N443-E560 PolarHBondContact ND2-OE1 2.85Å
444	L	92.1	Very high	89.7	Confident	34 Å²	34	47.3 Å²	47.3	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-44.7	171.6	177.6	60.2	0	0	0	111.8	I427 M430 V431 A435 D440 W446 G447 I448	I427-L444 HydrophobicContact CB-CD1 4.41Å; I427-L444 HydrophobicContact CG1-CD1 4.32Å; I427-L444 HydrophobicContact CG2-CD1 4.06Å; M430-L444 HydrophobicContact CB-CB 3.97Å; M430-L444 HydrophobicContact CB-CD1 4.13Å; M430-L444 HydrophobicContact CB-CG 4.49Å; M430-L444 HydrophobicContact CG-CB 4.25Å; V431-L444 HydrophobicContact CG2-CD1 4.06Å; A435-L444 HydrophobicContact CB-CD2 4.46Å; D440-L444 PolarHBondContact O-N 3Å; L444-W446 VanDerWaalsContact C-N 3.35Å; L444-G447 PolarHBondContact O-N 3.17Å; L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.35Å; L444-I448 HydrophobicContact CG-CD1 4.07Å; L444-I448 WeakPolarHBondContact O-CG1 3.31Å; L444-I448 PolarHBondContact O-N 3Å; L444-I448 VanDerWaalsContact O-N 3.09Å
445	T	92.8	Very high	90.2	Very high	63 Å²	63	46.7 Å²	46.7	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-44.3	178.2	-58.4	0	0	0	0	111	I373 R441 L442 N443 I448 L449	I373-T445 HydrophobicContact CD1-CG2 4.27Å; R441-T445 WeakPolarHBondContact O-CB 3.39Å; R441-T445 PolarHBondContact O-N 3.45Å; R441-T445 PolarHBondContact O-OG1 2.92Å; L442-T445 WeakPolarHBondContact O-CB 3.28Å; L442-T445 PolarHBondContact O-N 3.45Å; N443-T445 VanDerWaalsContact C-N 3.33Å; N443-T445 PolarHBondContact O-N 3.2Å; T445-I448 PolarHBondContact O-N 3.4Å; T445-L449 HydrophobicContact CG2-CD1 3.75Å; T445-L449 HydrophobicContact CG2-CG 4.4Å; T445-L449 WeakPolarHBondContact O-CB 3.1Å; T445-L449 VanDerWaalsContact O-CG 3.26Å; T445-L449 WeakPolarHBondContact O-CG 3.2Å; T445-L449 PolarHBondContact O-N 3.24Å
446	W	91.4	Very high	90.9	Very high	28 Å²	28	48.3 Å²	48.3	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-50.8	174.8	169.1	-111.1	0	0	0	111.9	F369 N372 I373 V376 L442 N443 L444 I448 L449 M450 L543	F369-W446 HydrophobicContact CD1-CB 4.36Å; F369-W446 HydrophobicContact CD1-CG 4.3Å; F369-W446 HydrophobicContact CE1-CG 4.39Å; N372-W446 VanDerWaalsContact C-CZ3 3.42Å; N372-W446 HydrophobicContact CB-CE3 3.97Å; N372-W446 HydrophobicContact CB-CH2 3.72Å; N372-W446 HydrophobicContact CB-CZ2 4.43Å; N372-W446 HydrophobicContact CB-CZ3 3.49Å; N372-W446 VanDerWaalsContact CB-CZ3 3.49Å; N372-W446 WeakPolarHBondContact O-CZ3 3.25Å; I373-W446 HydrophobicContact CD1-CB 4.36Å; I373-W446 HydrophobicContact CG1-CB 4.11Å; I373-W446 HydrophobicContact CG1-CE3 4.05Å; V376-W446 HydrophobicContact CB-CZ3 3.89Å; V376-W446 HydrophobicContact CG1-CZ3 4.47Å; V376-W446 HydrophobicContact CG2-CE3 4.41Å; V376-W446 HydrophobicContact CG2-CH2 3.62Å; V376-W446 HydrophobicContact CG2-CZ3 3.31Å; L442-W446 WeakPolarHBondContact O-CB 3.43Å; L442-W446 PolarHBondContact O-N 3.48Å; N443-W446 WeakPolarHBondContact O-CB 3.41Å; N443-W446 PolarHBondContact O-N 2.77Å; L444-W446 VanDerWaalsContact C-N 3.35Å; W446-I448 PolarHBondContact O-N 3.23Å; W446-L449 PolarHBondContact O-N 3.04Å; W446-M450 HydrophobicContact CD2-CG 3.68Å; W446-M450 VanDerWaalsContact CE2-CG 3.44Å; W446-M450 HydrophobicContact CE3-CG 3.89Å; W446-M450 HydrophobicContact CE3-SD 4.47Å; W446-M450 HydrophobicContact CG-CG 4.39Å; W446-M450 HydrophobicContact CH2-CG 3.71Å; W446-M450 HydrophobicContact CH2-SD 3.35Å; W446-M450 WeakPolarHBondContact CH2-SD 3.38Å; W446-M450 HydrophobicContact CZ2-CE 4.37Å; W446-M450 HydrophobicContact CZ2-CG 3.48Å; W446-M450 VanDerWaalsContact CZ2-CG 3.48Å; W446-M450 HydrophobicContact CZ2-SD 3.52Å; W446-M450 VanDerWaalsContact CZ2-SD 3.52Å; W446-M450 HydrophobicContact CZ3-CG 3.88Å; W446-M450 HydrophobicContact CZ3-SD 3.84Å; W446-M450 VanDerWaalsContact O-CB 3.28Å; W446-M450 WeakPolarHBondContact O-CB 3.41Å; W446-M450 VanDerWaalsContact O-CG 3.31Å; W446-M450 WeakPolarHBondContact O-CG 3.31Å; W446-M450 PolarHBondContact O-N 3.39Å; W446-L543 HydrophobicContact CH2-CD2 4.38Å
447	G	92.4	Very high	91.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-46.6	178.8	0	0	0	0	0	112.5	N443 L444 M450 V451	N443-G447 PolarHBondContact O-N 3.49Å; L444-G447 PolarHBondContact O-N 3.17Å; G447-M450 PolarHBondContact O-N 2.87Å; G447-V451 WeakPolarHBondContact O-CG2 3.31Å; G447-V451 PolarHBondContact O-N 3.13Å; G447-V451 VanDerWaalsContact O-N 3.15Å
448	I	95.2	Very high	92.3	Very high	76 Å²	76	38.8 Å²	38.8	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-64.5	-47.9	178.6	-66.1	167.9	0	0	0	111.1	I427 L444 T445 W446 M450 V451 I452	I427-I448 HydrophobicContact CD1-CG1 4.06Å; I427-I448 HydrophobicContact CG1-CG1 4.19Å; L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.35Å; L444-I448 HydrophobicContact CG-CD1 4.07Å; L444-I448 WeakPolarHBondContact O-CG1 3.31Å; L444-I448 PolarHBondContact O-N 3Å; L444-I448 VanDerWaalsContact O-N 3.09Å; T445-I448 PolarHBondContact O-N 3.4Å; W446-I448 PolarHBondContact O-N 3.23Å; I448-M450 VanDerWaalsContact C-N 3.3Å; I448-M450 PolarHBondContact O-N 3.26Å; I448-V451 PolarHBondContact O-N 3.13Å; I448-I452 HydrophobicContact CG2-CD1 3.94Å; I448-I452 WeakPolarHBondContact O-CG1 3.48Å; I448-I452 PolarHBondContact O-N 2.72Å; I448-I452 VanDerWaalsContact O-N 3.1Å
449	L	95.6	Very high	92.7	Very high	34 Å²	34	38 Å²	38	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-37	180	-74.7	171.4	0	0	0	112.2	I373 V376 T377 T445 W446 I452 Q453	I373-L449 HydrophobicContact CB-CD1 4.48Å; I373-L449 HydrophobicContact CG1-CD1 4.43Å; I373-L449 HydrophobicContact CG2-CD1 3.69Å; V376-L449 HydrophobicContact CG1-CB 3.96Å; T377-L449 HydrophobicContact CG2-CD1 3.6Å; T377-L449 HydrophobicContact CG2-CD2 3.86Å; T377-L449 HydrophobicContact CG2-CG 4.35Å; T445-L449 HydrophobicContact CG2-CD1 3.75Å; T445-L449 HydrophobicContact CG2-CG 4.4Å; T445-L449 WeakPolarHBondContact O-CB 3.1Å; T445-L449 VanDerWaalsContact O-CG 3.26Å; T445-L449 WeakPolarHBondContact O-CG 3.2Å; T445-L449 PolarHBondContact O-N 3.24Å; W446-L449 PolarHBondContact O-N 3.04Å; L449-I452 PolarHBondContact O-N 2.88Å; L449-Q453 WeakPolarHBondContact O-CB 3.27Å; L449-Q453 PolarHBondContact O-N 2.92Å
450	M	94.4	Very high	93.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.5	-83.7	-64.1	-59.5	0	0	112.1	V376 Q419 W446 G447 I448 I452 Q453 L454	V376-M450 HydrophobicContact CG1-SD 4.14Å; V376-M450 HydrophobicContact CG2-SD 3.63Å; Q419-M450 HydrophobicContact CG-CE 3.51Å; W446-M450 HydrophobicContact CD2-CG 3.68Å; W446-M450 VanDerWaalsContact CE2-CG 3.44Å; W446-M450 HydrophobicContact CE3-CG 3.89Å; W446-M450 HydrophobicContact CE3-SD 4.47Å; W446-M450 HydrophobicContact CG-CG 4.39Å; W446-M450 HydrophobicContact CH2-CG 3.71Å; W446-M450 HydrophobicContact CH2-SD 3.35Å; W446-M450 WeakPolarHBondContact CH2-SD 3.38Å; W446-M450 HydrophobicContact CZ2-CE 4.37Å; W446-M450 HydrophobicContact CZ2-CG 3.48Å; W446-M450 VanDerWaalsContact CZ2-CG 3.48Å; W446-M450 HydrophobicContact CZ2-SD 3.52Å; W446-M450 VanDerWaalsContact CZ2-SD 3.52Å; W446-M450 HydrophobicContact CZ3-CG 3.88Å; W446-M450 HydrophobicContact CZ3-SD 3.84Å; W446-M450 VanDerWaalsContact O-CB 3.28Å; W446-M450 WeakPolarHBondContact O-CB 3.41Å; W446-M450 VanDerWaalsContact O-CG 3.31Å; W446-M450 WeakPolarHBondContact O-CG 3.31Å; W446-M450 PolarHBondContact O-N 3.39Å; G447-M450 PolarHBondContact O-N 2.87Å; I448-M450 VanDerWaalsContact C-N 3.3Å; I448-M450 PolarHBondContact O-N 3.26Å; M450-I452 VanDerWaalsContact C-N 3.34Å; M450-I452 PolarHBondContact O-N 3.27Å; M450-Q453 PolarHBondContact O-N 2.88Å; M450-L454 HydrophobicContact CE-CD1 4.05Å; M450-L454 HydrophobicContact CE-CG 4.26Å; M450-L454 WeakPolarHBondContact O-CB 3.21Å; M450-L454 WeakPolarHBondContact O-CG 3.31Å; M450-L454 PolarHBondContact O-N 2.9Å
451	V	96.4	Very high	93.3	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-46.4	175.5	172.2	0	0	0	0	110.8	F420 Y424 I427 G447 I448 G455	F420-V451 HydrophobicContact CD1-CB 4.48Å; F420-V451 HydrophobicContact CD1-CG1 4.2Å; F420-V451 HydrophobicContact CD1-CG2 4.23Å; F420-V451 HydrophobicContact CE1-CB 4.38Å; F420-V451 HydrophobicContact CE1-CG1 3.96Å; Y424-V451 HydrophobicContact CE2-CG2 4.46Å; I427-V451 HydrophobicContact CD1-CG2 4.21Å; G447-V451 WeakPolarHBondContact O-CG2 3.31Å; G447-V451 PolarHBondContact O-N 3.13Å; G447-V451 VanDerWaalsContact O-N 3.15Å; I448-V451 PolarHBondContact O-N 3.13Å; V451-G455 PolarHBondContact O-N 3.31Å
452	I	95.6	Very high	93.3	Very high	83 Å²	83	31.5 Å²	31.5	43%	0.426	17%	0.169	S	C	.	.	H	α-helix	trans	-62.3	-49.3	178.6	-67.4	169	0	0	0	110.7	I448 L449 M450 L454 G455 L456	I448-I452 HydrophobicContact CG2-CD1 3.94Å; I448-I452 WeakPolarHBondContact O-CG1 3.48Å; I448-I452 PolarHBondContact O-N 2.72Å; I448-I452 VanDerWaalsContact O-N 3.1Å; L449-I452 PolarHBondContact O-N 2.88Å; M450-I452 VanDerWaalsContact C-N 3.34Å; M450-I452 PolarHBondContact O-N 3.27Å; I452-L454 PolarHBondContact O-N 3.21Å; I452-G455 PolarHBondContact O-N 3.07Å; I452-L456 HydrophobicContact CG2-CD1 3.67Å; I452-L456 HydrophobicContact CG2-CG 4.28Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 VanDerWaalsContact O-CG 3.27Å; I452-L456 WeakPolarHBondContact O-CG 3.26Å; I452-L456 PolarHBondContact O-N 2.96Å
453	Q	96.3	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-44.9	-176.8	-170.1	-79.8	-42.9	0	0	111.9	V376 M379 S380 L449 M450 L456 Q457	V376-Q453 HydrophobicContact CB-CG 4.46Å; V376-Q453 HydrophobicContact CG1-CB 3.49Å; V376-Q453 VanDerWaalsContact CG1-CB 3.49Å; V376-Q453 HydrophobicContact CG1-CG 3.75Å; M379-Q453 HydrophobicContact CB-CG 4.18Å; S380-Q453 WeakPolarHBondContact OG-CB 3.29Å; S380-Q453 WeakPolarHBondContact OG-CG 3.34Å; L449-Q453 WeakPolarHBondContact O-CB 3.27Å; L449-Q453 PolarHBondContact O-N 2.92Å; M450-Q453 PolarHBondContact O-N 2.88Å; Q453-L456 PolarHBondContact O-N 3.5Å; Q453-Q457 VanDerWaalsContact O-CB 3.25Å; Q453-Q457 WeakPolarHBondContact O-CB 3.41Å; Q453-Q457 PolarHBondContact O-N 3.38Å
454	L	94.4	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-45.3	177	-71.5	169.4	0	0	0	111.7	Q419 F420 M450 I452 Q457 N458 Y583	Q419-L454 HydrophobicContact CB-CD1 3.76Å; Q419-L454 HydrophobicContact CG-CD1 3.49Å; Q419-L454 VanDerWaalsContact CG-CD1 3.49Å; F420-L454 HydrophobicContact CD1-CD1 4.43Å; F420-L454 HydrophobicContact CE1-CB 3.94Å; F420-L454 HydrophobicContact CE1-CD1 4.34Å; F420-L454 HydrophobicContact CE2-CB 4.34Å; F420-L454 HydrophobicContact CZ-CB 3.68Å; M450-L454 HydrophobicContact CE-CD1 4.05Å; M450-L454 HydrophobicContact CE-CG 4.26Å; M450-L454 WeakPolarHBondContact O-CB 3.21Å; M450-L454 WeakPolarHBondContact O-CG 3.31Å; M450-L454 PolarHBondContact O-N 2.9Å; I452-L454 PolarHBondContact O-N 3.21Å; L454-Q457 PolarHBondContact O-N 3.31Å; L454-N458 VanDerWaalsContact O-CB 3.31Å; L454-N458 WeakPolarHBondContact O-CB 3.13Å; L454-N458 VanDerWaalsContact O-CG 3.27Å; L454-N458 PolarHBondContact O-N 3.19Å; L454-Y583 HydrophobicContact CD2-CD1 3.69Å; L454-Y583 HydrophobicContact CD2-CE1 3.12Å
455	G	94.6	Very high	92.3	Very high	34 Å²	34	30 Å²	30	35%	0.351	16%	0.161	S	C	.	.	H	α-helix	trans	-59.9	-47.3	177.4	0	0	0	0	0	112.3	V451 I452 F459	V451-G455 PolarHBondContact O-N 3.31Å; I452-G455 PolarHBondContact O-N 3.07Å; G455-F459 PolarHBondContact O-N 2.67Å; G455-F459 VanDerWaalsContact O-N 3.14Å
456	L	95	Very high	91.6	Very high	52 Å²	52	30 Å²	30	27%	0.272	16%	0.156	S	C	.	.	H	α-helix	trans	-64.2	-44.2	177.5	-69.8	173.1	0	0	0	112	T383 V384 I452 Q453 F459 F460	T383-L456 VanDerWaalsContact CG2-C 3.48Å; T383-L456 HydrophobicContact CG2-CB 3.88Å; T383-L456 VanDerWaalsContact CG2-O 3.27Å; T383-L456 WeakPolarHBondContact CG2-O 3.17Å; V384-L456 HydrophobicContact CG2-CD1 3.86Å; V384-L456 HydrophobicContact CG2-CD2 4.3Å; I452-L456 HydrophobicContact CG2-CD1 3.67Å; I452-L456 HydrophobicContact CG2-CG 4.28Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 VanDerWaalsContact O-CG 3.27Å; I452-L456 WeakPolarHBondContact O-CG 3.26Å; I452-L456 PolarHBondContact O-N 2.96Å; Q453-L456 PolarHBondContact O-N 3.5Å; L456-F459 PolarHBondContact O-N 2.83Å; L456-F460 WeakPolarHBondContact O-CB 3.3Å; L456-F460 PolarHBondContact O-N 2.9Å
457	Q	95.4	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.1	-41.7	-178.3	-177.8	175.9	-55	0	0	111.7	Q453 L454 F459 F460 I461 N540 Y583 S587	Q453-Q457 VanDerWaalsContact O-CB 3.25Å; Q453-Q457 WeakPolarHBondContact O-CB 3.41Å; Q453-Q457 PolarHBondContact O-N 3.38Å; L454-Q457 PolarHBondContact O-N 3.31Å; Q457-F459 VanDerWaalsContact C-N 3.31Å; Q457-F459 PolarHBondContact O-N 3.4Å; Q457-F460 PolarHBondContact O-N 2.68Å; Q457-I461 HydrophobicContact CG-CD1 3.66Å; Q457-I461 HydrophobicContact CG-CG1 4.17Å; Q457-I461 WeakPolarHBondContact O-CB 3.35Å; Q457-I461 WeakPolarHBondContact O-CG1 3.46Å; Q457-I461 PolarHBondContact O-N 3.22Å; Q457-N540 PolarHBondContact NE2-ND2 2.98Å; Q457-N540 VanDerWaalsContact NE2-ND2 3.19Å; Q457-N540 PolarHBondContact NE2-OD1 3.05Å; Q457-N540 PolarHBondContact OE1-ND2 2.93Å; Q457-N540 PolarHBondContact OE1-OD1 2.95Å; Q457-Y583 PolarHBondContact NE2-OH 3.16Å; Q457-Y583 VanDerWaalsContact NE2-OH 3.16Å; Q457-S587 PolarHBondContact NE2-OG 3.37Å
458	N	94.4	Very high	89.1	Confident	14 Å²	14	33 Å²	33	8%	0.075	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-49.4	173	-80.4	-8.7	0	0	0	110.8	S416 L454 F460 I461 I462 Y583	S416-N458 WeakPolarHBondContact CB-ND2 3.26Å; S416-N458 PolarHBondContact OG-ND2 3.42Å; L454-N458 VanDerWaalsContact O-CB 3.31Å; L454-N458 WeakPolarHBondContact O-CB 3.13Å; L454-N458 VanDerWaalsContact O-CG 3.27Å; L454-N458 PolarHBondContact O-N 3.19Å; N458-F460 PolarHBondContact O-N 2.8Å; N458-I461 PolarHBondContact O-N 2.93Å; N458-I462 WeakPolarHBondContact O-CB 3.38Å; N458-I462 WeakPolarHBondContact O-CD1 3.39Å; N458-I462 WeakPolarHBondContact O-CG1 3.46Å; N458-I462 PolarHBondContact O-N 3Å; N458-Y583 WeakPolarHBondContact OD1-CE2 3.48Å; N458-Y583 PolarHBondContact OD1-OH 2.99Å; N458-Y583 VanDerWaalsContact OD1-OH 3.08Å
459	F	92	Very high	87.5	Confident	121 Å²	121	31.6 Å²	31.6	53%	0.531	17%	0.166	S	C	.	.	H	α-helix	trans	-58.2	-49.5	177.4	177	-99.2	0	0	0	111.8	G455 L456 Q457 I461 I462 E463	G455-F459 PolarHBondContact O-N 2.67Å; G455-F459 VanDerWaalsContact O-N 3.14Å; L456-F459 PolarHBondContact O-N 2.83Å; Q457-F459 VanDerWaalsContact C-N 3.31Å; Q457-F459 PolarHBondContact O-N 3.4Å; F459-I461 PolarHBondContact O-N 3.36Å; F459-I462 PolarHBondContact O-N 3.05Å; F459-E463 VanDerWaalsContact O-CB 3.24Å; F459-E463 WeakPolarHBondContact O-CB 3.47Å; F459-E463 PolarHBondContact O-N 2.92Å
460	F	92.6	Very high	85.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-45	-179.9	175.5	-101.4	0	0	0	112.9	T383 F390 L456 Q457 N458 G464 L529 V532 L536 L591	T383-F460 HydrophobicContact CG2-CB 3.49Å; T383-F460 VanDerWaalsContact CG2-CB 3.49Å; T383-F460 HydrophobicContact CG2-CG 3.99Å; F390-F460 AromaticContact CD2-CD2 3.68Å; F390-F460 HydrophobicContact CD2-CD2 3.68Å; F390-F460 AromaticContact CD2-CE2 3.7Å; F390-F460 HydrophobicContact CD2-CE2 3.7Å; F390-F460 AromaticContact CE2-CD2 3.35Å; F390-F460 HydrophobicContact CE2-CD2 3.35Å; F390-F460 AromaticContact CE2-CE2 3.15Å; F390-F460 HydrophobicContact CE2-CE2 3.15Å; F390-F460 HydrophobicContact CE2-CG 4.18Å; F390-F460 AromaticContact CE2-CZ 3.88Å; F390-F460 HydrophobicContact CE2-CZ 3.88Å; F390-F460 WeakPolarHBondContact CE2-O 3.19Å; F390-F460 HydrophobicContact CZ-CD2 4.34Å; F390-F460 AromaticContact CZ-CE2 3.73Å; F390-F460 HydrophobicContact CZ-CE2 3.73Å; F390-F460 HydrophobicContact CZ-CZ 4.09Å; L456-F460 WeakPolarHBondContact O-CB 3.3Å; L456-F460 PolarHBondContact O-N 2.9Å; Q457-F460 PolarHBondContact O-N 2.68Å; N458-F460 PolarHBondContact O-N 2.8Å; F460-G464 PolarHBondContact O-N 3.46Å; F460-L529 HydrophobicContact CE2-CD1 3.79Å; F460-L529 HydrophobicContact CZ-CD1 3.71Å; F460-V532 HydrophobicContact CZ-CG1 4.09Å; F460-L536 HydrophobicContact CD1-CD1 3.98Å; F460-L536 HydrophobicContact CE1-CD1 3.79Å; F460-L591 HydrophobicContact CD1-CD2 4.01Å; F460-L591 HydrophobicContact CE1-CD2 3.7Å
461	I	91.1	Very high	83.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-46.3	179.4	-68.2	173.5	0	0	0	110.5	L412 Q457 N458 F459 E463 G464 L465 S590 L591	L412-I461 HydrophobicContact CD1-CD1 4.44Å; L412-I461 HydrophobicContact CD2-CB 4.03Å; L412-I461 HydrophobicContact CD2-CG2 3.7Å; Q457-I461 HydrophobicContact CG-CD1 3.66Å; Q457-I461 HydrophobicContact CG-CG1 4.17Å; Q457-I461 WeakPolarHBondContact O-CB 3.35Å; Q457-I461 WeakPolarHBondContact O-CG1 3.46Å; Q457-I461 PolarHBondContact O-N 3.22Å; N458-I461 PolarHBondContact O-N 2.93Å; F459-I461 PolarHBondContact O-N 3.36Å; I461-E463 PolarHBondContact O-N 3.34Å; I461-G464 PolarHBondContact O-N 3.49Å; I461-L465 HydrophobicContact CG2-CD1 3.8Å; I461-L465 HydrophobicContact CG2-CG 4.11Å; I461-L465 VanDerWaalsContact O-CB 3.27Å; I461-L465 WeakPolarHBondContact O-CB 3.24Å; I461-L465 VanDerWaalsContact O-CG 3.31Å; I461-L465 WeakPolarHBondContact O-CG 3.25Å; I461-L465 PolarHBondContact O-N 3.27Å; I461-S590 VanDerWaalsContact CG2-CB 3.43Å; I461-L591 HydrophobicContact CD1-CD1 4.43Å; I461-L591 HydrophobicContact CD1-CD2 4.26Å; I461-L591 HydrophobicContact CD1-CG 3.96Å; I461-L591 HydrophobicContact CG1-CD2 3.84Å; I461-L591 HydrophobicContact CG1-CG 4.04Å
462	I	88.3	Confident	81.1	Confident	46 Å²	46	43.6 Å²	43.6	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-46.4	-178.9	-68.3	167	0	0	0	110.7	V409 L412 V413 N458 F459 L465 H466	V409-I462 HydrophobicContact CB-CG1 4.5Å; V409-I462 HydrophobicContact CG1-CD1 3.78Å; V409-I462 HydrophobicContact CG1-CG1 3.81Å; V409-I462 HydrophobicContact CG1-CG2 4.27Å; V409-I462 HydrophobicContact CG2-CG1 4.08Å; V409-I462 HydrophobicContact CG2-CG2 4.28Å; L412-I462 HydrophobicContact CD2-CG1 4.12Å; V413-I462 HydrophobicContact CG2-CD1 3.97Å; N458-I462 WeakPolarHBondContact O-CB 3.38Å; N458-I462 WeakPolarHBondContact O-CD1 3.39Å; N458-I462 WeakPolarHBondContact O-CG1 3.46Å; N458-I462 PolarHBondContact O-N 3Å; F459-I462 PolarHBondContact O-N 3.05Å; I462-L465 PolarHBondContact O-N 3Å; I462-H466 WeakPolarHBondContact O-CB 3.49Å; I462-H466 PolarHBondContact O-N 3.07Å; I462-H466 VanDerWaalsContact O-N 3.1Å; I462-H466 PolarHBondContact O-ND1 3.49Å
463	E	85.6	Confident	78.5	Confident	41 Å²	41	45.9 Å²	45.9	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-45.6	176.9	178.1	60.8	-157.4	0	0	111.2	F390 H397 F459 I461 L465 H466 R467	F390-E463 HydrophobicContact CB-CG 4.38Å; F390-E463 HydrophobicContact CD2-CB 4.42Å; F390-E463 HydrophobicContact CD2-CG 3.9Å; F390-E463 HydrophobicContact CE2-CG 4.5Å; F390-E463 HydrophobicContact CG-CG 4.36Å; H397-E463 IonicContact CE1-OE1 3.74Å; H397-E463 PolarHBondContact CE1-OE1 2.93Å; H397-E463 IonicContact CE1-OE2 3.01Å; F459-E463 VanDerWaalsContact O-CB 3.24Å; F459-E463 WeakPolarHBondContact O-CB 3.47Å; F459-E463 PolarHBondContact O-N 2.92Å; I461-E463 PolarHBondContact O-N 3.34Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 3.31Å; E463-H466 PolarHBondContact O-N 3.4Å; E463-R467 WeakPolarHBondContact O-CG 3.48Å; E463-R467 PolarHBondContact O-N 2.73Å; E463-R467 IonicContact OE1-CZ 2.72Å; E463-R467 IonicContact OE1-NE 3.97Å; E463-R467 PolarHBondContact OE1-NE 3.29Å; E463-R467 IonicContact OE1-NH2 3.14Å; E463-R467 PolarHBondContact OE1-NH2 3.02Å
464	G	84.3	Confident	75.5	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-39.7	177.8	0	0	0	0	0	112.7	F390 F460 I461 H466	F390-G464 VanDerWaalsContact CZ-CA 3.46Å; F460-G464 PolarHBondContact O-N 3.46Å; I461-G464 PolarHBondContact O-N 3.49Å; G464-H466 VanDerWaalsContact C-N 3.3Å; G464-H466 PolarHBondContact O-N 3.47Å
465	L	80.8	Confident	72.5	Confident	4 Å²	4	58 Å²	58	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-25.2	176.9	-78.2	178.7	0	0	0	112.2	R405 I461 I462 E463 E593 V594	R405-L465 PolarHBondContact NE-O 3.47Å; R405-L465 PolarHBondContact NH2-O 3.4Å; I461-L465 HydrophobicContact CG2-CD1 3.8Å; I461-L465 HydrophobicContact CG2-CG 4.11Å; I461-L465 VanDerWaalsContact O-CB 3.27Å; I461-L465 WeakPolarHBondContact O-CB 3.24Å; I461-L465 VanDerWaalsContact O-CG 3.31Å; I461-L465 WeakPolarHBondContact O-CG 3.25Å; I461-L465 PolarHBondContact O-N 3.27Å; I462-L465 PolarHBondContact O-N 3Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 3.31Å; L465-E593 HydrophobicContact CD2-CB 4.21Å; L465-E593 HydrophobicContact CD2-CG 4.08Å; L465-V594 HydrophobicContact CD2-CG2 4.03Å; L465-V594 HydrophobicContact CG-CG2 4.07Å
466	H	77.1	Confident	69.4	Low	63 Å²	63	63.7 Å²	63.7	29%	0.292	33%	0.328	S	S	.	.	H	α-helix	trans	-87.7	-8.9	-177.2	-83.8	78	0	0	0	115.5	I398 R405 I462 E463 G464	I398-H466 PolarHBondContact N-O 2.71Å; R405-H466 VanDerWaalsContact CZ-CA 3.48Å; R405-H466 PolarHBondContact NH2-O 3.11Å; R405-H466 VanDerWaalsContact NH2-O 3.16Å; I462-H466 WeakPolarHBondContact O-CB 3.49Å; I462-H466 PolarHBondContact O-N 3.07Å; I462-H466 VanDerWaalsContact O-N 3.1Å; I462-H466 PolarHBondContact O-ND1 3.49Å; E463-H466 PolarHBondContact O-N 3.4Å; G464-H466 VanDerWaalsContact C-N 3.3Å; G464-H466 PolarHBondContact O-N 3.47Å
467	R	73	Confident	66.6	Low	22 Å²	22	67 Å²	67	8%	0.083	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-81.1	154.4	-178.4	-75.2	169	173.1	-117.8	-13.9	113.2	F390 D393 R405 E463	F390-R467 VanDerWaalsContact O-CZ 3.32Å; F390-R467 PolarHBondContact O-NH1 3.36Å; F390-R467 VanDerWaalsContact O-NH1 3.13Å; F390-R467 PolarHBondContact O-NH2 3.26Å; D393-R467 PolarHBondContact O-NH1 2.94Å; R405-R467 PolarHBondContact NH2-O 3.38Å; E463-R467 WeakPolarHBondContact O-CG 3.48Å; E463-R467 PolarHBondContact O-N 2.73Å; E463-R467 IonicContact OE1-CZ 2.72Å; E463-R467 IonicContact OE1-NE 3.97Å; E463-R467 PolarHBondContact OE1-NE 3.29Å; E463-R467 IonicContact OE1-NH2 3.14Å; E463-R467 PolarHBondContact OE1-NH2 3.02Å
468	E	60	Low	63.7	Low	72 Å²	72	73.3 Å²	73.3	34%	0.336	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65	134.8	171.1	-79.3	-176.5	-179.6	0	0	112.3	I398	I398-E468 HydrophobicContact CB-CG 4.42Å; I398-E468 HydrophobicContact CD1-CB 4.5Å; I398-E468 HydrophobicContact CD1-CG 4Å; I398-E468 HydrophobicContact CG1-CB 4.16Å; I398-E468 HydrophobicContact CG1-CG 3.23Å
469	P	59.9	Low	60.9	Low	46 Å²	46	78.7 Å²	78.7	30%	0.299	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.1	141.6	172.1	27	-32.5	0	0	0	109.5	H471	P469-H471 PolarHBondContact O-CD2 2.88Å; P469-H471 PolarHBondContact O-N 2.91Å; P469-H471 VanDerWaalsContact O-N 3.13Å
470	F	52.7	Low	58.1	Low	65 Å²	65	81.3 Å²	81.3	29%	0.285	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.3	116.3	-177.4	-172.6	-103.6	0	0	0	111.6	E472 L522	F470-E472 HydrophobicContact CD1-CG 4Å; F470-E472 HydrophobicContact CE1-CG 3.64Å; F470-E472 PolarHBondContact O-N 3.38Å; F470-L522 HydrophobicContact CE2-CD2 3.55Å; F470-L522 HydrophobicContact CZ-CD2 3.89Å
471	H	54.2	Low	55.1	Low	111 Å²	111	87.6 Å²	87.6	51%	0.514	47%	0.47	S	S	.	.			trans	-83.3	109.6	168.3	-69.5	-80.6	0	0	0	109.6	P469 V473	P469-H471 PolarHBondContact O-CD2 2.88Å; P469-H471 PolarHBondContact O-N 2.91Å; P469-H471 VanDerWaalsContact O-N 3.13Å; H471-V473 PolarHBondContact O-N 3.34Å; H471-V473 VanDerWaalsContact O-N 3.1Å
472	E	46.7	Very low	52.4	Low	138 Å²	138	96.4 Å²	96.4	65%	0.645	51%	0.511	S	S	*	.			trans	-65.8	108.6	158.2	-81	174	-162.9	0	0	106.4	F470 E474 R526	F470-E472 HydrophobicContact CD1-CG 4Å; F470-E472 HydrophobicContact CE1-CG 3.64Å; F470-E472 PolarHBondContact O-N 3.38Å; E472-E474 PolarHBondContact O-N 3.41Å; E472-R526 IonicContact OE1-CZ 3.54Å; E472-R526 IonicContact OE1-NH1 3.74Å; E472-R526 PolarHBondContact OE1-NH1 3.05Å
473	V	40.1	Very low	49.9	Very low	131 Å²	131	104 Å²	104	79%	0.794	54%	0.538	S	S	*	.			trans	-62.5	93.1	165.4	-177.8	0	0	0	0	105.7	H471 A475	H471-V473 PolarHBondContact O-N 3.34Å; H471-V473 VanDerWaalsContact O-N 3.1Å; V473-A475 PolarHBondContact O-N 3.34Å; V473-A475 VanDerWaalsContact O-N 3.09Å
474	E	32.8	Very low	47.4	Very low	179 Å²	179	108.7 Å²	108.7	84%	0.836	57%	0.569	S	S	*	*			trans	-52.3	116.5	159.1	-123	166.1	-176.1	0	0	104.5	E472 D476	E472-E474 PolarHBondContact O-N 3.41Å; E474-D476 PolarHBondContact O-N 2.83Å
475	A	32	Very low	45	Very low	77 Å²	77	114.4 Å²	114.4	64%	0.636	60%	0.603	S	S	*	*			trans	-56.8	119.9	175.1	0	0	0	0	0	105.7	V473 T477	V473-A475 PolarHBondContact O-N 3.34Å; V473-A475 VanDerWaalsContact O-N 3.09Å; A475-T477 VanDerWaalsContact C-N 3.32Å; A475-T477 PolarHBondContact O-N 3.05Å
476	D	30.1	Very low	42.4	Very low	152 Å²	152	123.9 Å²	123.9	81%	0.813	65%	0.647	S	S	*	*			trans	-44.2	106.2	168.4	-80.3	-36.2	0	0	0	106.4	E474 V478	E474-D476 PolarHBondContact O-N 2.83Å; D476-V478 PolarHBondContact O-N 3.48Å
477	T	36	Very low	39.9	Very low	121 Å²	121	125.9 Å²	125.9	74%	0.742	67%	0.669	S	S	*	*			trans	-62.6	100.7	161.8	44.9	0	0	0	0	102.8	A475 V479	A475-T477 VanDerWaalsContact C-N 3.32Å; A475-T477 PolarHBondContact O-N 3.05Å; T477-V479 PolarHBondContact O-N 3.38Å
478	V	34.8	Very low	37.8	Very low	134 Å²	134	129.8 Å²	129.8	81%	0.812	70%	0.699	S	S	*	*			trans	-49.9	101.4	168.1	176	0	0	0	0	104.8	D476 E480	D476-V478 PolarHBondContact O-N 3.48Å; V478-E480 PolarHBondContact O-N 2.92Å
479	V	36.1	Very low	36.3	Very low	127 Å²	127	135.4 Å²	135.4	77%	0.77	72%	0.723	S	S	*	*			trans	-67	99.4	169.8	175.1	0	0	0	0	103.6	T477 N481	T477-V479 PolarHBondContact O-N 3.38Å; V479-N481 PolarHBondContact O-N 3.26Å
480	E	32	Very low	34.7	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	75%	0.749	S	S	*	*			trans	-57.7	115.5	172.1	-157.5	175.1	-159.7	0	0	106.6	V478 Q482	V478-E480 PolarHBondContact O-N 2.92Å; E480-Q482 PolarHBondContact O-N 2.97Å
481	N	29.2	Very low	33.5	Very low	132 Å²	132	140.6 Å²	140.6	71%	0.706	77%	0.765	S	S	*	*			trans	-69.5	97.9	-170.5	-157.3	-3.9	0	0	0	108.4	V479 Y483	V479-N481 PolarHBondContact O-N 3.26Å; N481-Y483 PolarHBondContact O-N 3.46Å
482	Q	35.8	Very low	32	Very low	185 Å²	185	146.7 Å²	146.7	86%	0.864	78%	0.783	S	S	*	*			trans	-75	29.7	-174.6	-156.5	174.8	-12.2	0	0	113.8	E480	E480-Q482 PolarHBondContact O-N 2.97Å
483	Y	35.3	Very low	31	Very low	205 Å²	205	149.2 Å²	149.2	80%	0.804	79%	0.792	S	S	*	*			trans	-129.5	67	174.9	-77.2	-81.6	0	0	0	110.5	N481	N481-Y483 PolarHBondContact O-N 3.46Å
484	V	33.2	Very low	30.5	Very low	140 Å²	140	150.3 Å²	150.3	85%	0.848	79%	0.793	S	S	*	*			trans	-121.8	111.9	150.6	-178.2	0	0	0	0	107.7
485	V	33.1	Very low	30.2	Very low	123 Å²	123	150.9 Å²	150.9	75%	0.745	80%	0.796	S	S	*	*			trans	-63.5	132.1	177	170.2	0	0	0	0	109.8
486	E	26.8	Very low	29.9	Very low	202 Å²	202	155.5 Å²	155.5	94%	0.944	80%	0.804	S	S	*	*			trans	-140.1	106.8	145	-133.6	169.9	-162.1	0	0	110.8
487	S	25.1	Very low	29.8	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	80%	0.799	S	S	*	*			trans	-106.4	115.8	168.1	148.8	0	0	0	0	106.8
488	S	27.4	Very low	29.3	Very low	104 Å²	104	154.5 Å²	154.5	73%	0.727	80%	0.798	S	S	*	*				177.7	130.1	126	-162	0	0	0	0	112.6
489	K	28.8	Very low	29.1	Very low	190 Å²	190	154.9 Å²	154.9	83%	0.826	80%	0.795	S	S	*	*			trans	3.3	143.4	149.1	-61.9	172.5	173.4	177.8	0	117.8
490	D	27.3	Very low	28.8	Very low	159 Å²	159	155.2 Å²	155.2	85%	0.85	79%	0.792	S	S	*	*				-178.6	156.4	51.3	-152.7	-10.2	0	0	0	111.6
491	G	26.1	Very low	28.5	Very low	60 Å²	60	155 Å²	155	62%	0.619	80%	0.796	S	S	*	*			trans	78.3	94.9	139.3	0	0	0	0	0	125.3
492	R	24.2	Very low	28.4	Very low	239 Å²	239	155.5 Å²	155.5	90%	0.902	80%	0.799	S	S	*	*			trans	61.1	132.1	133.6	-70.4	-172.5	-154.7	-176.6	7.3	124.4
493	K	24.8	Very low	28.8	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.835	79%	0.787	S	S	*	*			trans	105.3	121.7	136.5	-84.7	-176.9	179.3	-170.2	0	120.4
494	L	28.9	Very low	28.4	Very low	153 Å²	153	153 Å²	153	80%	0.801	79%	0.793	S	S	*	*			trans	-1.3	132.1	149.4	-106.2	85.9	0	0	0	118.9
495	E	26.7	Very low	28.8	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	79%	0.788	S	S	*	*				177.9	168.6	100.6	-110.5	172.1	-171	0	0	112.4
496	E	26.9	Very low	28.9	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.813	79%	0.794	S	S	*	*			trans	-102.2	166.2	-162.7	-160.2	-176.7	177	0	0	112.2
497	V	27.2	Very low	29.1	Very low	117 Å²	117	150.4 Å²	150.4	71%	0.709	79%	0.787	S	S	*	*			trans	73	141	165.4	-138.8	0	0	0	0	114.5
498	D	26.2	Very low	29.5	Very low	135 Å²	135	153.1 Å²	153.1	72%	0.722	79%	0.788	S	S	*	*			cis	-166.9	170.3	31.5	-145.9	-11.1	0	0	0	113.2
499	L	30.8	Very low	29.9	Very low	141 Å²	141	153.4 Å²	153.4	74%	0.738	80%	0.797	S	S	*	*			trans	-26.6	143.6	178.9	-100.4	80.2	0	0	0	122.2
500	D	28.5	Very low	30.2	Very low	135 Å²	135	155.6 Å²	155.6	72%	0.722	80%	0.8	S	S	*	*				68.9	111.4	125.2	-145.6	14.7	0	0	0	119.3
501	N	26.5	Very low	30.5	Very low	170 Å²	170	150.8 Å²	150.8	91%	0.909	79%	0.788	S	S	*	*			trans	-150.3	112.1	159	-96.1	-33.7	0	0	0	110
502	N	26.1	Very low	31.3	Very low	143 Å²	143	156 Å²	156	77%	0.765	80%	0.796	S	S	*	*			trans	-110.5	174.2	162.9	-145.1	23.3	0	0	0	107.6
503	P	46.1	Very low	31.8	Very low	95 Å²	95	147.3 Å²	147.3	62%	0.617	78%	0.78	S	S	*	*				-125.2	160.5	-54.9	27.3	-11.7	0	0	0	111.4
504	R	26.1	Very low	32.5	Very low	244 Å²	244	140.4 Å²	140.4	92%	0.921	76%	0.764	S	S	*	*			trans	-167.1	164.1	145.7	-68.3	-157.8	-179.3	179.1	-0.9	110.2
505	P	41.4	Very low	33.2	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	76%	0.761	S	S	*	*				-126.1	176.7	-54.1	35.6	-18.6	0	0	0	111.3
506	D	34.3	Very low	34.2	Very low	161 Å²	161	136.4 Å²	136.4	86%	0.861	74%	0.744	S	S	*	*			trans	-44.3	131.3	-179.1	-58.4	-67.5	0	0	0	116.5
507	V	32.2	Very low	35.4	Very low	134 Å²	134	133.2 Å²	133.2	81%	0.812	73%	0.729	S	S	*	*			trans	-133.6	94.9	147.6	-179	0	0	0	0	108.7
508	E	33.3	Very low	36.7	Very low	163 Å²	163	134 Å²	134	76%	0.762	73%	0.725	S	S	*	*			trans	39.1	88.2	141.1	-60.4	-171.9	145.8	0	0	119	R510	E508-R510 VanDerWaalsContact C-N 3.35Å; E508-R510 PolarHBondContact O-N 2.97Å; E508-R510 VanDerWaalsContact O-N 3.09Å
509	A	35.1	Very low	38.2	Very low	110 Å²	110	134.7 Å²	134.7	91%	0.909	72%	0.721	S	S	*	*			trans	-72.4	85.2	151.8	0	0	0	0	0	110.7
510	R	35.8	Very low	39.6	Very low	236 Å²	236	134.4 Å²	134.4	89%	0.891	72%	0.716	S	S	*	*			trans	-131.6	83.1	163.2	-87.4	-174.7	178.9	171.8	1.3	110	E508	E508-R510 VanDerWaalsContact C-N 3.35Å; E508-R510 PolarHBondContact O-N 2.97Å; E508-R510 VanDerWaalsContact O-N 3.09Å
511	G	34.2	Very low	41.1	Very low	58 Å²	58	133.2 Å²	133.2	60%	0.598	70%	0.704	S	S	*	*	S	Bend	trans	-164	-18	174.6	0	0	0	0	0	116.6
512	H	41.3	Very low	42.8	Very low	169 Å²	169	128.2 Å²	128.2	78%	0.782	68%	0.677	S	S	*	*	S	Bend	trans	-97.6	-13.9	-170.2	-77.4	-68.5	0	0	0	116.5
513	G	35.6	Very low	45	Very low	56 Å²	56	125.2 Å²	125.2	58%	0.577	66%	0.661	S	S	*	*	H	α-helix	trans	-70.9	-47.9	-179.3	0	0	0	0	0	114.1	R515 E517	G513-R515 PolarHBondContact O-N 3.22Å; G513-E517 PolarHBondContact O-N 3.37Å
514	G	39.8	Very low	46.6	Very low	48 Å²	48	128.4 Å²	128.4	50%	0.495	66%	0.66	S	S	.	*	H	α-helix	trans	-68.6	-33	-175.4	0	0	0	0	0	114.3	H518	G514-H518 WeakPolarHBondContact O-CB 3.44Å; G514-H518 PolarHBondContact O-N 3.38Å
515	R	42.6	Very low	49.2	Very low	197 Å²	197	118.6 Å²	118.6	74%	0.743	62%	0.624	S	S	*	*	H	α-helix	trans	-75.1	-36.3	-178.7	-166	172.7	-177.6	171.2	-0.1	112.4	G513 K519	G513-R515 PolarHBondContact O-N 3.22Å; R515-K519 VanDerWaalsContact O-CB 3.28Å; R515-K519 WeakPolarHBondContact O-CB 3.39Å; R515-K519 PolarHBondContact O-N 3Å; R515-K519 VanDerWaalsContact O-N 3.13Å
516	A	49.2	Very low	51.1	Low	64 Å²	64	115 Å²	115	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-70.6	-40.7	175.2	0	0	0	0	0	111.7	K519 H520	A516-K519 PolarHBondContact O-N 2.98Å; A516-H520 WeakPolarHBondContact O-CB 3.47Å; A516-H520 PolarHBondContact O-N 3.42Å
517	E	51.3	Low	53.5	Low	107 Å²	107	112.4 Å²	112.4	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-69.9	-40.1	179.2	-155.7	-172.1	148.5	0	0	112.5	G513 H520 K521	G513-E517 PolarHBondContact O-N 3.37Å; E517-H520 PolarHBondContact O-N 3.28Å; E517-K521 WeakPolarHBondContact O-CG 3.45Å; E517-K521 PolarHBondContact O-N 3.22Å; E517-K521 VanDerWaalsContact OE1-CE 3.32Å; E517-K521 WeakPolarHBondContact OE1-CE 3.49Å; E517-K521 IonicContact OE1-NZ 2.93Å; E517-K521 PolarHBondContact OE1-NZ 3.36Å
518	H	55.3	Low	56.1	Low	134 Å²	134	107.5 Å²	107.5	62%	0.62	55%	0.545	S	S	*	.	H	α-helix	trans	-63.2	-42.7	172	-104.9	-84.6	0	0	0	112.3	G514 K521 L522	G514-H518 WeakPolarHBondContact O-CB 3.44Å; G514-H518 PolarHBondContact O-N 3.38Å; H518-K521 PolarHBondContact O-N 2.85Å; H518-L522 WeakPolarHBondContact O-CB 3.34Å; H518-L522 PolarHBondContact O-N 3.43Å
519	K	56.2	Low	58.7	Low	148 Å²	148	100.3 Å²	100.3	64%	0.643	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-41.8	177.6	-169.3	174.9	-178.3	178.2	0	111.6	R515 A516 L522 L523	R515-K519 VanDerWaalsContact O-CB 3.28Å; R515-K519 WeakPolarHBondContact O-CB 3.39Å; R515-K519 PolarHBondContact O-N 3Å; R515-K519 VanDerWaalsContact O-N 3.13Å; A516-K519 PolarHBondContact O-N 2.98Å; K519-L522 PolarHBondContact O-N 2.98Å; K519-L523 HydrophobicContact CG-CD1 4.1Å; K519-L523 WeakPolarHBondContact O-CB 3.39Å; K519-L523 WeakPolarHBondContact O-CD1 3.35Å; K519-L523 VanDerWaalsContact O-CG 3.24Å; K519-L523 WeakPolarHBondContact O-CG 3.41Å; K519-L523 PolarHBondContact O-N 2.91Å
520	H	60.2	Low	61.2	Low	136 Å²	136	96.5 Å²	96.5	63%	0.63	47%	0.473	S	S	*	.	H	α-helix	trans	-65.7	-42.5	176.9	-173	-90	0	0	0	112.6	A516 E517 L522 L523 W524	A516-H520 WeakPolarHBondContact O-CB 3.47Å; A516-H520 PolarHBondContact O-N 3.42Å; E517-H520 PolarHBondContact O-N 3.28Å; H520-L522 PolarHBondContact O-N 3.34Å; H520-L523 PolarHBondContact O-N 2.9Å; H520-W524 PolarHBondContact O-N 2.51Å; H520-W524 VanDerWaalsContact O-N 3.09Å
521	K	60.3	Low	63.9	Low	110 Å²	110	86.2 Å²	86.2	48%	0.478	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.6	-73.8	174.3	-174.5	167	0	112.3	E517 H518 K525	E517-K521 WeakPolarHBondContact O-CG 3.45Å; E517-K521 PolarHBondContact O-N 3.22Å; E517-K521 VanDerWaalsContact OE1-CE 3.32Å; E517-K521 WeakPolarHBondContact OE1-CE 3.49Å; E517-K521 IonicContact OE1-NZ 2.93Å; E517-K521 PolarHBondContact OE1-NZ 3.36Å; H518-K521 PolarHBondContact O-N 2.85Å; K521-K525 WeakPolarHBondContact O-CG 3.29Å; K521-K525 PolarHBondContact O-N 2.73Å
522	L	61.7	Low	66.7	Low	65 Å²	65	83.9 Å²	83.9	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-67.1	-42.1	177.1	-129.3	77.7	0	0	0	112.3	F470 H518 K519 H520 R526	F470-L522 HydrophobicContact CE2-CD2 3.55Å; F470-L522 HydrophobicContact CZ-CD2 3.89Å; H518-L522 WeakPolarHBondContact O-CB 3.34Å; H518-L522 PolarHBondContact O-N 3.43Å; K519-L522 PolarHBondContact O-N 2.98Å; H520-L522 PolarHBondContact O-N 3.34Å; L522-R526 PolarHBondContact O-N 3.45Å
523	L	72.6	Confident	69.1	Low	80 Å²	80	75.9 Å²	75.9	42%	0.419	37%	0.373	S	S	.	.	H	α-helix	trans	-65.6	-38.6	178.6	-74.4	164.9	0	0	0	112.4	K519 H520 R526 R527	K519-L523 HydrophobicContact CG-CD1 4.1Å; K519-L523 WeakPolarHBondContact O-CB 3.39Å; K519-L523 WeakPolarHBondContact O-CD1 3.35Å; K519-L523 VanDerWaalsContact O-CG 3.24Å; K519-L523 WeakPolarHBondContact O-CG 3.41Å; K519-L523 PolarHBondContact O-N 2.91Å; H520-L523 PolarHBondContact O-N 2.9Å; L523-R526 PolarHBondContact O-N 3.43Å; L523-R527 WeakPolarHBondContact O-CB 3.43Å; L523-R527 PolarHBondContact O-N 2.96Å
524	W	79.6	Confident	71.8	Confident	161 Å²	161	73.9 Å²	73.9	61%	0.61	35%	0.35	S	S	*	.	H	α-helix	trans	-66.6	-44.6	178.3	-179.9	79.8	0	0	0	112.4	H520 R526 R527 V528	H520-W524 PolarHBondContact O-N 2.51Å; H520-W524 VanDerWaalsContact O-N 3.09Å; W524-R526 VanDerWaalsContact C-N 3.33Å; W524-R526 PolarHBondContact O-N 3.27Å; W524-R527 PolarHBondContact O-N 2.71Å; W524-V528 HydrophobicContact CD2-CG2 4.06Å; W524-V528 HydrophobicContact CH2-CG2 4.31Å; W524-V528 HydrophobicContact CZ2-CG2 3.8Å; W524-V528 WeakPolarHBondContact O-CG2 3.4Å; W524-V528 PolarHBondContact O-N 3.25Å
525	K	82.1	Confident	74.4	Confident	38 Å²	38	72.1 Å²	72.1	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-45.3	176	-69.8	-177.4	-171.7	-179.2	0	111.8	I389 V392 D393 K521 R527 V528 L529	I389-K525 HydrophobicContact CG2-CB 4.05Å; I389-K525 HydrophobicContact CG2-CG 4.33Å; V392-K525 PolarHBondContact O-NZ 3.33Å; D393-K525 HydrophobicContact CB-CD 4.16Å; D393-K525 WeakPolarHBondContact OD1-CD 3.26Å; D393-K525 IonicContact OD1-NZ 2.72Å; D393-K525 PolarHBondContact OD1-NZ 2.83Å; K521-K525 WeakPolarHBondContact O-CG 3.29Å; K521-K525 PolarHBondContact O-N 2.73Å; K525-R527 VanDerWaalsContact C-N 3.35Å; K525-R527 PolarHBondContact O-N 3.35Å; K525-V528 PolarHBondContact O-N 3.47Å; K525-L529 WeakPolarHBondContact O-CB 3.49Å; K525-L529 PolarHBondContact O-N 2.96Å
526	R	80.3	Confident	77	Confident	39 Å²	39	62.8 Å²	62.8	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-46.8	175.4	173.5	170	-161.7	-162.1	12.4	111.7	E472 L522 L523 W524 L529 R530 S598	E472-R526 IonicContact OE1-CZ 3.54Å; E472-R526 IonicContact OE1-NH1 3.74Å; E472-R526 PolarHBondContact OE1-NH1 3.05Å; L522-R526 PolarHBondContact O-N 3.45Å; L523-R526 PolarHBondContact O-N 3.43Å; W524-R526 VanDerWaalsContact C-N 3.33Å; W524-R526 PolarHBondContact O-N 3.27Å; R526-L529 PolarHBondContact O-N 3.48Å; R526-R530 VanDerWaalsContact CZ-NH2 3.32Å; R526-R530 WeakPolarHBondContact O-CG 2.94Å; R526-R530 PolarHBondContact O-N 3.15Å; R526-S598 VanDerWaalsContact CD-O 3.27Å; R526-S598 WeakPolarHBondContact CD-O 3.05Å; R526-S598 WeakPolarHBondContact CG-O 2.99Å; R526-S598 PolarHBondContact NE-O 3.38Å; R526-S598 PolarHBondContact NE-OXT 3.28Å
527	R	84.1	Confident	79.1	Confident	107 Å²	107	61.4 Å²	61.4	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-48.9	178.5	-172.1	174.8	-176.4	179.4	1.3	111.4	E326 L523 W524 K525 L529 R530 E531	E326-R527 VanDerWaalsContact O-CZ 3.25Å; E326-R527 PolarHBondContact O-NE 3.03Å; E326-R527 PolarHBondContact O-NH2 2.99Å; L523-R527 WeakPolarHBondContact O-CB 3.43Å; L523-R527 PolarHBondContact O-N 2.96Å; W524-R527 PolarHBondContact O-N 2.71Å; K525-R527 VanDerWaalsContact C-N 3.35Å; K525-R527 PolarHBondContact O-N 3.35Å; R527-L529 VanDerWaalsContact C-N 3.31Å; R527-L529 PolarHBondContact O-N 3Å; R527-R530 PolarHBondContact O-N 3.29Å; R527-E531 VanDerWaalsContact O-CG 3.22Å; R527-E531 WeakPolarHBondContact O-CG 3.13Å; R527-E531 PolarHBondContact O-N 3.42Å
528	V	87.8	Confident	81.2	Confident	32 Å²	32	58.3 Å²	58.3	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-40.9	179.4	-179	0	0	0	0	111.3	I385 I389 W524 K525 R530 E531 V532	I385-V528 HydrophobicContact CG2-CG1 4.44Å; I389-V528 HydrophobicContact CD1-CB 3.79Å; I389-V528 HydrophobicContact CD1-CG1 3.23Å; W524-V528 HydrophobicContact CD2-CG2 4.06Å; W524-V528 HydrophobicContact CH2-CG2 4.31Å; W524-V528 HydrophobicContact CZ2-CG2 3.8Å; W524-V528 WeakPolarHBondContact O-CG2 3.4Å; W524-V528 PolarHBondContact O-N 3.25Å; K525-V528 PolarHBondContact O-N 3.47Å; V528-R530 PolarHBondContact O-N 3.3Å; V528-E531 PolarHBondContact O-N 3.4Å; V528-V532 HydrophobicContact CG1-CG2 4.34Å; V528-V532 WeakPolarHBondContact O-CG2 3.39Å; V528-V532 PolarHBondContact O-N 3.5Å
529	L	87.6	Confident	83.1	Confident	11 Å²	11	52 Å²	52	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-41.9	178	-174.6	63.8	0	0	0	112.2	F390 F460 K525 R526 R527 E531 V532 C533 S598	F390-L529 HydrophobicContact CD1-CD1 4.17Å; F390-L529 HydrophobicContact CD1-CD2 4.11Å; F390-L529 HydrophobicContact CE1-CD1 3.55Å; F390-L529 HydrophobicContact CE1-CD2 3.31Å; F390-L529 HydrophobicContact CE1-CG 4.07Å; F390-L529 HydrophobicContact CE2-CD1 4.35Å; F390-L529 HydrophobicContact CZ-CD1 3.63Å; F390-L529 HydrophobicContact CZ-CD2 3.99Å; F390-L529 HydrophobicContact CZ-CG 4.39Å; F460-L529 HydrophobicContact CE2-CD1 3.79Å; F460-L529 HydrophobicContact CZ-CD1 3.71Å; K525-L529 WeakPolarHBondContact O-CB 3.49Å; K525-L529 PolarHBondContact O-N 2.96Å; R526-L529 PolarHBondContact O-N 3.48Å; R527-L529 VanDerWaalsContact C-N 3.31Å; R527-L529 PolarHBondContact O-N 3Å; L529-E531 PolarHBondContact O-N 2.89Å; L529-V532 PolarHBondContact O-N 3.44Å; L529-C533 PolarHBondContact O-N 3.23Å; L529-C533 PolarHBondContact O-SG 2.96Å; L529-S598 WeakPolarHBondContact CD2-OG 3.33Å; L529-S598 WeakPolarHBondContact CG-OG 3.39Å
530	R	88.3	Confident	84.9	Confident	30 Å²	30	44.9 Å²	44.9	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-42	173.5	-76.5	-179.3	177.9	-162.8	-9	112.8	V327 R526 R527 V528 C533 A534 Y595 S598	V327-R530 HydrophobicContact CG2-CB 3.78Å; R526-R530 VanDerWaalsContact CZ-NH2 3.32Å; R526-R530 WeakPolarHBondContact O-CG 2.94Å; R526-R530 PolarHBondContact O-N 3.15Å; R527-R530 PolarHBondContact O-N 3.29Å; V528-R530 PolarHBondContact O-N 3.3Å; R530-C533 PolarHBondContact O-N 3.44Å; R530-A534 WeakPolarHBondContact O-CB 3.16Å; R530-A534 PolarHBondContact O-N 3.3Å; R530-Y595 HydrophobicContact CB-CD2 3.93Å; R530-Y595 HydrophobicContact CB-CE2 3.59Å; R530-Y595 HydrophobicContact CG-CD2 4.03Å; R530-Y595 HydrophobicContact CG-CE2 3.86Å; R530-Y595 WeakPolarHBondContact O-CD2 3.27Å; R530-Y595 WeakPolarHBondContact O-CE2 3.14Å; R530-S598 VanDerWaalsContact CZ-OXT 3.25Å; R530-S598 PolarHBondContact NE-OXT 3.05Å; R530-S598 PolarHBondContact NH2-OXT 2.01Å
531	E	91.8	Very high	86.5	Confident	20 Å²	20	40.2 Å²	40.2	9%	0.093	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-43.6	175.8	-63.7	-79.2	-163	0	0	111.2	V327 F328 I329 G330 P331 R527 V528 L529 A534 F535	V327-E531 WeakPolarHBondContact CA-OE1 3.34Å; V327-E531 VanDerWaalsContact CG1-CD 3.46Å; V327-E531 HydrophobicContact CG1-CG 4.1Å; V327-E531 WeakPolarHBondContact CG1-OE2 3.48Å; F328-E531 PolarHBondContact N-OE1 3.36Å; F328-E531 PolarHBondContact N-OE2 3.2Å; I329-E531 PolarHBondContact N-OE1 3.11Å; I329-E531 PolarHBondContact N-OE2 3.17Å; I329-E531 VanDerWaalsContact N-OE2 3.08Å; G330-E531 WeakPolarHBondContact CA-OE2 3.31Å; G330-E531 PolarHBondContact N-OE2 3.33Å; P331-E531 VanDerWaalsContact CD-OE2 3.26Å; P331-E531 WeakPolarHBondContact CD-OE2 3.33Å; R527-E531 VanDerWaalsContact O-CG 3.22Å; R527-E531 WeakPolarHBondContact O-CG 3.13Å; R527-E531 PolarHBondContact O-N 3.42Å; V528-E531 PolarHBondContact O-N 3.4Å; L529-E531 PolarHBondContact O-N 2.89Å; E531-A534 PolarHBondContact O-N 2.99Å; E531-F535 WeakPolarHBondContact O-CB 3.5Å; E531-F535 PolarHBondContact O-N 2.95Å
532	V	93	Very high	88.1	Confident	10 Å²	10	35 Å²	35	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-49.4	175.8	169	0	0	0	0	111.1	C382 I385 F460 V528 L529 A534 F535 L536	C382-V532 HydrophobicContact CB-CG1 4.46Å; C382-V532 WeakPolarHBondContact O-CG1 3.47Å; I385-V532 HydrophobicContact CG2-CG2 4.41Å; F460-V532 HydrophobicContact CZ-CG1 4.09Å; V528-V532 HydrophobicContact CG1-CG2 4.34Å; V528-V532 WeakPolarHBondContact O-CG2 3.39Å; V528-V532 PolarHBondContact O-N 3.5Å; L529-V532 PolarHBondContact O-N 3.44Å; V532-A534 VanDerWaalsContact C-N 3.33Å; V532-A534 PolarHBondContact O-N 3.23Å; V532-F535 PolarHBondContact O-N 3.46Å; V532-L536 HydrophobicContact CG1-CD1 3.74Å; V532-L536 HydrophobicContact CG1-CG 4.23Å; V532-L536 WeakPolarHBondContact O-CB 3.31Å; V532-L536 VanDerWaalsContact O-CG 3.31Å; V532-L536 WeakPolarHBondContact O-CG 3.16Å; V532-L536 PolarHBondContact O-N 3.01Å
533	C	92.3	Very high	89.6	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-42.5	179	-69.1	0	0	0	0	111.7	L529 R530 L536 L537 Y595	L529-C533 PolarHBondContact O-N 3.23Å; L529-C533 PolarHBondContact O-SG 2.96Å; R530-C533 PolarHBondContact O-N 3.44Å; C533-L536 PolarHBondContact O-N 3.45Å; C533-L537 VanDerWaalsContact O-CB 3.25Å; C533-L537 WeakPolarHBondContact O-CB 3.3Å; C533-L537 PolarHBondContact O-N 2.99Å; C533-Y595 HydrophobicContact CB-CD2 4.17Å
534	A	91.6	Very high	90.5	Very high	13 Å²	13	30.7 Å²	30.7	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-42.2	177.8	0	0	0	0	0	112.6	V327 P331 R530 E531 V532 L538	V327-A534 HydrophobicContact CG1-CB 4.41Å; P331-A534 HydrophobicContact CG-CB 3.91Å; R530-A534 WeakPolarHBondContact O-CB 3.16Å; R530-A534 PolarHBondContact O-N 3.3Å; E531-A534 PolarHBondContact O-N 2.99Å; V532-A534 VanDerWaalsContact C-N 3.33Å; V532-A534 PolarHBondContact O-N 3.23Å; A534-L538 PolarHBondContact O-N 3.4Å
535	F	95.3	Very high	90.9	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-48.9	175.2	176.2	-96.9	0	0	0	111.9	L333 L337 L378 M379 C382 E531 V532 L537 L538 G539	L333-F535 HydrophobicContact CB-CD2 3.94Å; L333-F535 HydrophobicContact CB-CE2 4.1Å; L337-F535 HydrophobicContact CD1-CE2 3.89Å; L337-F535 HydrophobicContact CD1-CZ 3.64Å; L378-F535 HydrophobicContact CB-CE1 4.31Å; L378-F535 HydrophobicContact CB-CZ 3.9Å; M379-F535 HydrophobicContact CG-CE1 4.27Å; C382-F535 HydrophobicContact CB-CD1 3.79Å; C382-F535 HydrophobicContact CB-CE1 4.07Å; C382-F535 WeakPolarHBondContact SG-CD1 3.25Å; C382-F535 WeakPolarHBondContact SG-CE1 3.38Å; E531-F535 WeakPolarHBondContact O-CB 3.5Å; E531-F535 PolarHBondContact O-N 2.95Å; V532-F535 PolarHBondContact O-N 3.46Å; F535-L537 VanDerWaalsContact C-N 3.28Å; F535-L537 PolarHBondContact O-N 3.43Å; F535-L538 PolarHBondContact O-N 3.27Å; F535-G539 PolarHBondContact O-N 3.32Å
536	L	95.6	Very high	91.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.2	-35	179.5	-69.5	177.2	0	0	0	112.1	M379 C382 T383 F460 V532 C533 G539 N540 L591	M379-L536 HydrophobicContact CB-CD2 3.97Å; M379-L536 HydrophobicContact CE-CD2 4.37Å; M379-L536 HydrophobicContact CG-CD2 4.17Å; M379-L536 WeakPolarHBondContact O-CD2 3.49Å; C382-L536 HydrophobicContact CB-CD2 4.12Å; C382-L536 HydrophobicContact CB-CG 4.48Å; T383-L536 WeakPolarHBondContact OG1-CD2 3.3Å; F460-L536 HydrophobicContact CD1-CD1 3.98Å; F460-L536 HydrophobicContact CE1-CD1 3.79Å; V532-L536 HydrophobicContact CG1-CD1 3.74Å; V532-L536 HydrophobicContact CG1-CG 4.23Å; V532-L536 WeakPolarHBondContact O-CB 3.31Å; V532-L536 VanDerWaalsContact O-CG 3.31Å; V532-L536 WeakPolarHBondContact O-CG 3.16Å; V532-L536 PolarHBondContact O-N 3.01Å; C533-L536 PolarHBondContact O-N 3.45Å; L536-G539 PolarHBondContact O-N 3.26Å; L536-N540 PolarHBondContact O-N 2.92Å; L536-N540 PolarHBondContact O-ND2 3.23Å; L536-L591 HydrophobicContact CB-CD1 3.73Å; L536-L591 HydrophobicContact CB-CD2 4.21Å; L536-L591 HydrophobicContact CD1-CD2 4.2Å
537	L	94.3	Very high	91.3	Very high	35 Å²	35	22.4 Å²	22.4	18%	0.183	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-52.6	174.9	-171.4	160.8	0	0	0	110	C533 F535 G539 N540 V541 V588 F592	C533-L537 VanDerWaalsContact O-CB 3.25Å; C533-L537 WeakPolarHBondContact O-CB 3.3Å; C533-L537 PolarHBondContact O-N 2.99Å; F535-L537 VanDerWaalsContact C-N 3.28Å; F535-L537 PolarHBondContact O-N 3.43Å; L537-G539 VanDerWaalsContact C-N 3.33Å; L537-G539 PolarHBondContact O-N 3.49Å; L537-N540 PolarHBondContact O-N 3.37Å; L537-V541 HydrophobicContact CD2-CG2 4.05Å; L537-V541 WeakPolarHBondContact O-CG2 3.44Å; L537-V541 PolarHBondContact O-N 3.28Å; L537-V588 HydrophobicContact CD2-CG1 4.05Å; L537-V588 HydrophobicContact CG-CG1 3.97Å; L537-F592 HydrophobicContact CD1-CB 3.98Å; L537-F592 HydrophobicContact CD1-CD2 4.14Å
538	L	94.4	Very high	91.1	Very high	43 Å²	43	17.4 Å²	17.4	23%	0.225	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-36	179.3	-67.3	172.4	0	0	0	112.5	P331 V338 A534 F535 V541 I542	P331-L538 WeakPolarHBondContact O-CD1 3.45Å; V338-L538 HydrophobicContact CG2-CB 3.98Å; V338-L538 HydrophobicContact CG2-CD2 4.39Å; V338-L538 WeakPolarHBondContact CG2-O 3.35Å; A534-L538 PolarHBondContact O-N 3.4Å; F535-L538 PolarHBondContact O-N 3.27Å; L538-V541 PolarHBondContact O-N 3.3Å; L538-I542 PolarHBondContact O-N 3.02Å; L538-I542 VanDerWaalsContact O-N 3.12Å
539	G	95.1	Very high	90.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-42.8	172	0	0	0	0	0	113.3	F535 L536 L537 I542 L543	F535-G539 PolarHBondContact O-N 3.32Å; L536-G539 PolarHBondContact O-N 3.26Å; L537-G539 VanDerWaalsContact C-N 3.33Å; L537-G539 PolarHBondContact O-N 3.49Å; G539-I542 WeakPolarHBondContact O-CG2 3.4Å; G539-L543 WeakPolarHBondContact O-CG 3.24Å; G539-L543 PolarHBondContact O-N 3.39Å
540	N	95.5	Very high	89.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-33.3	175.3	-77.2	-80.6	0	0	0	112.3	M379 Q457 L536 L537 L543 W544 R584 V588 L591	M379-N540 WeakPolarHBondContact CE-ND2 3.44Å; Q457-N540 PolarHBondContact NE2-ND2 2.98Å; Q457-N540 VanDerWaalsContact NE2-ND2 3.19Å; Q457-N540 PolarHBondContact NE2-OD1 3.05Å; Q457-N540 PolarHBondContact OE1-ND2 2.93Å; Q457-N540 PolarHBondContact OE1-OD1 2.95Å; L536-N540 PolarHBondContact O-N 2.92Å; L536-N540 PolarHBondContact O-ND2 3.23Å; L537-N540 PolarHBondContact O-N 3.37Å; N540-L543 PolarHBondContact O-N 3.39Å; N540-W544 VanDerWaalsContact O-CB 3.23Å; N540-W544 WeakPolarHBondContact O-CB 3.45Å; N540-W544 PolarHBondContact O-N 3.12Å; N540-R584 WeakPolarHBondContact OD1-CD 3.31Å; N540-R584 PolarHBondContact OD1-NH1 3.3Å; N540-V588 HydrophobicContact CB-CG2 3.57Å; N540-L591 WeakPolarHBondContact ND2-CD1 3.43Å
541	V	93.3	Very high	88.5	Confident	37 Å²	37	19.7 Å²	19.7	22%	0.224	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.7	169.5	0	0	0	0	111	L537 L538 W544 I545 V588	L537-V541 HydrophobicContact CD2-CG2 4.05Å; L537-V541 WeakPolarHBondContact O-CG2 3.44Å; L537-V541 PolarHBondContact O-N 3.28Å; L538-V541 PolarHBondContact O-N 3.3Å; V541-W544 WeakPolarHBondContact O-CB 3.17Å; V541-W544 PolarHBondContact O-N 3.16Å; V541-I545 HydrophobicContact CG1-CD1 3.82Å; V541-I545 HydrophobicContact CG1-CG1 4.43Å; V541-I545 WeakPolarHBondContact O-CG1 3.43Å; V541-I545 PolarHBondContact O-N 3.38Å; V541-V588 HydrophobicContact CG2-CG1 4.27Å; V541-V588 HydrophobicContact CG2-CG2 3.78Å
542	I	93.9	Very high	87.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-40.9	-179.4	-171.9	56.5	0	0	0	112.5	L337 V338 I342 I375 L538 G539 W544 I545 M546	L337-I542 HydrophobicContact CD2-CG2 3.45Å; L337-I542 VanDerWaalsContact CD2-CG2 3.45Å; V338-I542 HydrophobicContact CG2-CB 4.2Å; I342-I542 HydrophobicContact CG1-CD1 3.66Å; I375-I542 HydrophobicContact CD1-CG2 4.13Å; I375-I542 HydrophobicContact CG2-CG2 4.32Å; L538-I542 PolarHBondContact O-N 3.02Å; L538-I542 VanDerWaalsContact O-N 3.12Å; G539-I542 WeakPolarHBondContact O-CG2 3.4Å; I542-W544 PolarHBondContact O-N 2.79Å; I542-I545 PolarHBondContact O-N 3.09Å; I542-M546 HydrophobicContact CD1-CE 4.01Å; I542-M546 HydrophobicContact CD1-CG 4.43Å; I542-M546 HydrophobicContact CG1-CE 3.63Å; I542-M546 WeakPolarHBondContact O-CG 3.37Å; I542-M546 PolarHBondContact O-N 3.03Å
543	L	92.5	Very high	86.5	Confident	13 Å²	13	19.5 Å²	19.5	7%	0.068	10%	0.103	C	C	.	.	H	α-helix	trans	-70	-15.1	176.5	-68.2	-179.4	0	0	0	112.9	I375 V376 M379 W446 G539 N540 P547	I375-L543 HydrophobicContact CG2-CD1 3.99Å; I375-L543 HydrophobicContact CG2-CD2 4.04Å; I375-L543 HydrophobicContact CG2-CG 3.92Å; V376-L543 HydrophobicContact CG2-CD1 3.83Å; M379-L543 HydrophobicContact CE-CD1 4.46Å; M379-L543 HydrophobicContact SD-CD1 3.69Å; W446-L543 HydrophobicContact CH2-CD2 4.38Å; G539-L543 WeakPolarHBondContact O-CG 3.24Å; G539-L543 PolarHBondContact O-N 3.39Å; N540-L543 PolarHBondContact O-N 3.39Å; L543-P547 WeakPolarHBondContact O-CD 3.45Å; L543-P547 VanDerWaalsContact O-CG 3.25Å; L543-P547 WeakPolarHBondContact O-CG 3.24Å
544	W	91.6	Very high	85.4	Confident	43 Å²	43	20.8 Å²	20.8	16%	0.163	11%	0.109	C	C	.	.	H	α-helix	trans	-83.1	-45.6	169.3	172.2	74.8	0	0	0	111.6	F150 N540 V541 I542 M546 P547 A548 I581 R584	F150-W544 AromaticContact CE1-CZ2 3.98Å; F150-W544 HydrophobicContact CE1-CZ2 3.98Å; F150-W544 AromaticContact CZ-CZ2 3.77Å; F150-W544 HydrophobicContact CZ-CZ2 3.77Å; N540-W544 VanDerWaalsContact O-CB 3.23Å; N540-W544 WeakPolarHBondContact O-CB 3.45Å; N540-W544 PolarHBondContact O-N 3.12Å; V541-W544 WeakPolarHBondContact O-CB 3.17Å; V541-W544 PolarHBondContact O-N 3.16Å; I542-W544 PolarHBondContact O-N 2.79Å; W544-M546 PolarHBondContact O-N 3.45Å; W544-P547 WeakPolarHBondContact O-CD 2.9Å; W544-A548 WeakPolarHBondContact O-CB 3.41Å; W544-A548 PolarHBondContact O-N 3.31Å; W544-I581 VanDerWaalsContact CD1-CG2 3.49Å; W544-R584 HydrophobicContact CB-CB 3.8Å
545	I	88.1	Confident	84.2	Confident	35 Å²	35	21.2 Å²	21.2	18%	0.179	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-47.2	-178.2	-71.1	169.9	0	0	0	111.7	V541 I542 A548 F549	V541-I545 HydrophobicContact CG1-CD1 3.82Å; V541-I545 HydrophobicContact CG1-CG1 4.43Å; V541-I545 WeakPolarHBondContact O-CG1 3.43Å; V541-I545 PolarHBondContact O-N 3.38Å; I542-I545 PolarHBondContact O-N 3.09Å; I545-A548 PolarHBondContact O-N 3.49Å; I545-F549 HydrophobicContact CG2-CD2 3.98Å; I545-F549 HydrophobicContact CG2-CE2 4.42Å; I545-F549 WeakPolarHBondContact O-CD2 3.49Å; I545-F549 PolarHBondContact O-N 2.95Å; I545-F549 VanDerWaalsContact O-N 3.09Å
546	M	88.1	Confident	82.7	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.02	12%	0.117	C	C	.	.	H	α-helix	trans	-55.7	-58	-174.3	-64.7	-175.8	-172.1	0	0	113.2	G341 F345 H368 N372 I375 I542 W544 A548 A551	G341-M546 WeakPolarHBondContact O-CE 3.25Å; F345-M546 HydrophobicContact CB-CG 4.17Å; F345-M546 HydrophobicContact CD2-CB 4.25Å; F345-M546 HydrophobicContact CD2-CG 4.21Å; F345-M546 HydrophobicContact CG-CG 4.33Å; H368-M546 VanDerWaalsContact CE1-SD 3.56Å; N372-M546 PolarHBondContact OD1-SD 3.26Å; I375-M546 HydrophobicContact CD1-CE 4.04Å; I542-M546 HydrophobicContact CD1-CE 4.01Å; I542-M546 HydrophobicContact CD1-CG 4.43Å; I542-M546 HydrophobicContact CG1-CE 3.63Å; I542-M546 WeakPolarHBondContact O-CG 3.37Å; I542-M546 PolarHBondContact O-N 3.03Å; W544-M546 PolarHBondContact O-N 3.45Å; M546-A548 PolarHBondContact O-N 2.93Å; M546-A551 HydrophobicContact CB-CB 4.47Å; M546-A551 WeakPolarHBondContact O-CB 2.99Å; M546-A551 PolarHBondContact O-N 3.32Å; M546-A551 VanDerWaalsContact O-N 3.09Å
547	P	83.4	Confident	81.5	Confident	24 Å²	24	23.1 Å²	23.1	16%	0.156	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-32.4	178.7	27.4	-35.5	0	0	0	113.2	L543 W544 F549 G550 L577 I581	L543-P547 WeakPolarHBondContact O-CD 3.45Å; L543-P547 VanDerWaalsContact O-CG 3.25Å; L543-P547 WeakPolarHBondContact O-CG 3.24Å; W544-P547 WeakPolarHBondContact O-CD 2.9Å; P547-F549 VanDerWaalsContact C-N 3.3Å; P547-F549 PolarHBondContact O-N 3.33Å; P547-G550 PolarHBondContact O-N 3.42Å; P547-G550 VanDerWaalsContact O-N 3.15Å; P547-L577 HydrophobicContact CB-CD1 3.96Å; P547-I581 HydrophobicContact CB-CD1 4.24Å; P547-I581 HydrophobicContact CB-CG1 4.09Å; P547-I581 HydrophobicContact CG-CG1 4Å
548	A	80.3	Confident	80.5	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-33.3	-179.7	0	0	0	0	0	113	F289 W544 I545 M546 G550	F289-A548 HydrophobicContact CE1-CB 4.18Å; W544-A548 WeakPolarHBondContact O-CB 3.41Å; W544-A548 PolarHBondContact O-N 3.31Å; I545-A548 PolarHBondContact O-N 3.49Å; M546-A548 PolarHBondContact O-N 2.93Å; A548-G550 VanDerWaalsContact C-N 3.35Å
549	F	75.9	Confident	79.8	Confident	101 Å²	101	23.5 Å²	23.5	44%	0.443	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	13.7	177.1	-75.1	-86.8	0	0	0	113.8	F289 F345 I545 P547	F289-F549 HydrophobicContact CZ-CD1 4.37Å; F289-F549 HydrophobicContact CZ-CE1 4.09Å; F289-F549 HydrophobicContact CZ-CE2 4.35Å; F289-F549 HydrophobicContact CZ-CZ 4.07Å; F345-F549 HydrophobicContact CE1-CB 4.21Å; F345-F549 HydrophobicContact CZ-CB 3.61Å; I545-F549 HydrophobicContact CG2-CD2 3.98Å; I545-F549 HydrophobicContact CG2-CE2 4.42Å; I545-F549 WeakPolarHBondContact O-CD2 3.49Å; I545-F549 PolarHBondContact O-N 2.95Å; I545-F549 VanDerWaalsContact O-N 3.09Å; P547-F549 VanDerWaalsContact C-N 3.3Å; P547-F549 PolarHBondContact O-N 3.33Å
550	G	67	Low	79.3	Confident	15 Å²	15	23.6 Å²	23.6	16%	0.155	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	11.5	166.2	0	0	0	0	0	116.1	P547 A548 R552	P547-G550 PolarHBondContact O-N 3.42Å; P547-G550 VanDerWaalsContact O-N 3.15Å; A548-G550 VanDerWaalsContact C-N 3.35Å; G550-R552 PolarHBondContact O-N 3Å; G550-R552 VanDerWaalsContact O-N 3.12Å
551	A	66.3	Low	78.6	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.033	13%	0.128	C	C	.	.			trans	-71.3	106.4	163.4	0	0	0	0	0	109.4	F345 Y348 M546 P553	F345-A551 HydrophobicContact CD2-CB 3.71Å; F345-A551 HydrophobicContact CE2-CB 3.55Å; Y348-A551 HydrophobicContact CD1-CB 4.04Å; Y348-A551 HydrophobicContact CE1-CB 3.57Å; M546-A551 HydrophobicContact CB-CB 4.47Å; M546-A551 WeakPolarHBondContact O-CB 2.99Å; M546-A551 PolarHBondContact O-N 3.32Å; M546-A551 VanDerWaalsContact O-N 3.09Å; A551-P553 VanDerWaalsContact C-CD 3.45Å; A551-P553 WeakPolarHBondContact O-CD 3.42Å
552	R	72	Confident	78.1	Confident	19 Å²	19	30 Å²	30	7%	0.072	15%	0.151	C	C	.	.			trans	-124.8	69.9	177.8	-58.9	-169.1	-174.9	-157.6	3.8	109.8	E235 G550 Q554 F555 N574 L577	E235-R552 VanDerWaalsContact CD-NH2 3.25Å; E235-R552 IonicContact OE1-CZ 3.82Å; E235-R552 IonicContact OE1-NH1 3.95Å; E235-R552 PolarHBondContact OE1-NH1 2.93Å; E235-R552 IonicContact OE1-NH2 3.58Å; E235-R552 PolarHBondContact OE1-NH2 3.32Å; E235-R552 IonicContact OE2-CZ 2.85Å; E235-R552 IonicContact OE2-NH1 3.96Å; E235-R552 PolarHBondContact OE2-NH1 3.36Å; E235-R552 IonicContact OE2-NH2 3.61Å; E235-R552 PolarHBondContact OE2-NH2 3.22Å; E235-R552 VanDerWaalsContact OE2-NH2 3.1Å; G550-R552 PolarHBondContact O-N 3Å; G550-R552 VanDerWaalsContact O-N 3.12Å; R552-Q554 VanDerWaalsContact C-OE1 3.29Å; R552-Q554 PolarHBondContact O-N 2.96Å; R552-F555 HydrophobicContact CB-CD2 3.82Å; R552-F555 PolarHBondContact O-N 3.47Å; R552-N574 PolarHBondContact NH1-OD1 3.2Å; R552-L577 HydrophobicContact CG-CD2 3.96Å
553	P	71.1	Confident	77.8	Confident	8 Å²	8	34.1 Å²	34.1	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-19.8	-179.3	25.3	-35.5	0	0	0	112.9	F369 A551 F555 D556 H557	F369-P553 HydrophobicContact CE1-CB 4.49Å; F369-P553 HydrophobicContact CE2-CB 4.23Å; F369-P553 HydrophobicContact CZ-CB 3.91Å; A551-P553 VanDerWaalsContact C-CD 3.45Å; A551-P553 WeakPolarHBondContact O-CD 3.42Å; P553-F555 PolarHBondContact O-N 3.42Å; P553-D556 PolarHBondContact O-N 3.07Å; P553-H557 PolarHBondContact O-N 2.73Å; P553-H557 VanDerWaalsContact O-N 3.12Å
554	Q	68.8	Low	77.5	Confident	28 Å²	28	35 Å²	35	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-26.5	174.3	-57.5	85.1	-0.5	0	0	113.6	I422 R552 W569 V573	I422-Q554 HydrophobicContact CG2-CG 4.39Å; R552-Q554 VanDerWaalsContact C-OE1 3.29Å; R552-Q554 PolarHBondContact O-N 2.96Å; Q554-W569 HydrophobicContact CB-CZ2 3.94Å; Q554-W569 HydrophobicContact CG-CZ2 4.44Å; Q554-W569 PolarHBondContact O-NE1 2.93Å; Q554-V573 HydrophobicContact CB-CG1 4.26Å; Q554-V573 HydrophobicContact CB-CG2 4.08Å
555	F	64.9	Low	77	Confident	21 Å²	21	39.8 Å²	39.8	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-96.8	-12.5	177.4	-70.6	-62	0	0	0	113.6	R254 R552 P553 A570 V573	R254-F555 PolarHBondContact NH1-O 3.04Å; R552-F555 HydrophobicContact CB-CD2 3.82Å; R552-F555 PolarHBondContact O-N 3.47Å; P553-F555 PolarHBondContact O-N 3.42Å; F555-A570 HydrophobicContact CE1-CB 4.02Å; F555-A570 HydrophobicContact CZ-CB 4.4Å; F555-V573 HydrophobicContact CD2-CG1 4.24Å; F555-V573 HydrophobicContact CE1-CB 4.24Å; F555-V573 HydrophobicContact CE1-CG1 4.48Å; F555-V573 HydrophobicContact CE2-CB 3.97Å; F555-V573 HydrophobicContact CE2-CG1 3.38Å; F555-V573 HydrophobicContact CZ-CB 3.54Å; F555-V573 HydrophobicContact CZ-CG1 3.54Å; F555-V573 HydrophobicContact CZ-CG2 4.26Å
556	D	65	Low	76.2	Confident	43 Å²	43	39.5 Å²	39.5	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-95.1	-17.3	-179.1	-60.9	-27.9	0	0	0	112	Y348 M352 P553	Y348-D556 PolarHBondContact OH-OD2 3.34Å; M352-D556 HydrophobicContact CE-CB 4.05Å; M352-D556 WeakPolarHBondContact CE-OD1 3.48Å; P553-D556 PolarHBondContact O-N 3.07Å
557	H	70.8	Confident	75.6	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.046	22%	0.221	C	C	.	.			trans	-91.8	122.4	169.4	-165.4	51.9	0	0	0	110.7	L439 D440 P553 T559 E560	L439-H557 WeakPolarHBondContact CD2-ND1 3.28Å; D440-H557 IonicContact OD1-CE1 2.99Å; D440-H557 PolarHBondContact OD1-CE1 3.32Å; D440-H557 IonicContact OD1-NE2 2.95Å; D440-H557 PolarHBondContact OD1-NE2 3.44Å; P553-H557 PolarHBondContact O-N 2.73Å; P553-H557 VanDerWaalsContact O-N 3.12Å; H557-T559 VanDerWaalsContact C-N 3.34Å; H557-T559 PolarHBondContact CE1-OG1 3.22Å; H557-T559 VanDerWaalsContact CE1-OG1 3.31Å; H557-T559 WeakPolarHBondContact NE2-CB 3.38Å; H557-T559 PolarHBondContact NE2-OG1 3.4Å; H557-T559 PolarHBondContact O-N 3Å; H557-E560 IonicContact CD2-OE2 3.66Å; H557-E560 PolarHBondContact CD2-OE2 3.3Å; H557-E560 IonicContact CG-OE2 3.86Å
558	D	73.3	Confident	75.5	Confident	62 Å²	62	46 Å²	46	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-79.8	-16	-171.1	-72.4	-16.4	0	0	0	113.9	R254 T561 Q562	R254-D558 IonicContact CZ-OD1 3.61Å; R254-D558 IonicContact NH1-OD1 2.73Å; R254-D558 PolarHBondContact NH1-OD1 3.5Å; R254-D558 IonicContact NH2-OD1 3.07Å; R254-D558 PolarHBondContact NH2-OD1 3.18Å; R254-D558 IonicContact NH2-OD2 3.76Å; R254-D558 PolarHBondContact NH2-OD2 3.44Å; D558-T561 PolarHBondContact O-N 3.27Å; D558-Q562 WeakPolarHBondContact O-CB 2.92Å; D558-Q562 VanDerWaalsContact O-CG 3.28Å; D558-Q562 WeakPolarHBondContact O-CG 3.13Å; D558-Q562 PolarHBondContact O-N 3.47Å
559	T	79.8	Confident	75.8	Confident	23 Å²	23	45.9 Å²	45.9	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-49.4	-170.9	-53.8	0	0	0	0	112.6	M430 T433 D440 H557 Q562 F563	M430-T559 HydrophobicContact CE-CG2 3.84Å; M430-T559 HydrophobicContact SD-CG2 3.85Å; T433-T559 HydrophobicContact CG2-CG2 4Å; D440-T559 PolarHBondContact OD1-OG1 3.41Å; H557-T559 VanDerWaalsContact C-N 3.34Å; H557-T559 PolarHBondContact CE1-OG1 3.22Å; H557-T559 VanDerWaalsContact CE1-OG1 3.31Å; H557-T559 WeakPolarHBondContact NE2-CB 3.38Å; H557-T559 PolarHBondContact NE2-OG1 3.4Å; H557-T559 PolarHBondContact O-N 3Å; T559-Q562 PolarHBondContact O-N 3.49Å; T559-F563 WeakPolarHBondContact O-CB 3.11Å; T559-F563 PolarHBondContact O-N 3.18Å
560	E	83.5	Confident	75.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-37.2	176.8	-65.9	97.3	145.8	0	0	112.5	S426 A429 N443 H557 Q562 F563 Y564 W569	S426-E560 PolarHBondContact OG-OE1 3.25Å; A429-E560 HydrophobicContact CB-CG 4.03Å; N443-E560 PolarHBondContact ND2-OE1 2.85Å; H557-E560 IonicContact CD2-OE2 3.66Å; H557-E560 PolarHBondContact CD2-OE2 3.3Å; H557-E560 IonicContact CG-OE2 3.86Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 3.03Å; E560-F563 PolarHBondContact O-N 3.38Å; E560-Y564 PolarHBondContact O-N 3.3Å; E560-W569 HydrophobicContact CB-CD2 3.78Å; E560-W569 HydrophobicContact CB-CE3 4.17Å; E560-W569 HydrophobicContact CB-CG 4.26Å; E560-W569 HydrophobicContact CB-CH2 4.15Å; E560-W569 HydrophobicContact CB-CZ2 3.72Å; E560-W569 HydrophobicContact CB-CZ3 4.35Å; E560-W569 HydrophobicContact CG-CH2 3.96Å; E560-W569 HydrophobicContact CG-CZ2 3.81Å; E560-W569 HydrophobicContact CG-CZ3 4.42Å
561	T	80.9	Confident	76.6	Confident	19 Å²	19	43.9 Å²	43.9	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-40.9	178.5	-59.6	0	0	0	0	111	D558 Q565 S566	D558-T561 PolarHBondContact O-N 3.27Å; T561-Q565 CarbonylContact O-C 3.52Å; T561-Q565 VanDerWaalsContact O-C 3.28Å; T561-Q565 WeakPolarHBondContact O-CA 3.45Å; T561-Q565 PolarHBondContact O-N 3.21Å; T561-S566 WeakPolarHBondContact CG2-OG 3.48Å; T561-S566 PolarHBondContact O-N 3.14Å
562	Q	83.4	Confident	77.6	Confident	152 Å²	152	44.7 Å²	44.7	71%	0.71	23%	0.23	S	C	*	.	H	α-helix	trans	-71.5	-35.6	175.6	-71.6	178.1	14.6	0	0	112.4	D558 T559 E560	D558-Q562 WeakPolarHBondContact O-CB 2.92Å; D558-Q562 VanDerWaalsContact O-CG 3.28Å; D558-Q562 WeakPolarHBondContact O-CG 3.13Å; D558-Q562 PolarHBondContact O-N 3.47Å; T559-Q562 PolarHBondContact O-N 3.49Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 3.03Å
563	F	87	Confident	78.1	Confident	88 Å²	88	43.8 Å²	43.8	39%	0.386	23%	0.227	S	C	.	.	H	α-helix	trans	-74.1	-48	-178.1	-176.1	-98.2	0	0	0	113.1	A429 A432 T433 T559 E560	A429-F563 HydrophobicContact CB-CB 4.19Å; A429-F563 HydrophobicContact CB-CD1 3.72Å; A429-F563 HydrophobicContact CB-CE1 4.31Å; A429-F563 HydrophobicContact CB-CG 4Å; A432-F563 HydrophobicContact CB-CD2 4.44Å; A432-F563 HydrophobicContact CB-CE2 3.56Å; A432-F563 HydrophobicContact CB-CZ 3.75Å; T433-F563 HydrophobicContact CG2-CD2 4.16Å; T559-F563 WeakPolarHBondContact O-CB 3.11Å; T559-F563 PolarHBondContact O-N 3.18Å; E560-F563 PolarHBondContact O-N 3.38Å
564	Y	85.8	Confident	78.5	Confident	30 Å²	30	43.4 Å²	43.4	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-93	-7.4	-177.5	-72.2	-64.3	0	0	0	114.2	F425 A429 E560 M568 W569	F425-Y564 HydrophobicContact CB-CE2 4.1Å; F425-Y564 HydrophobicContact CD1-CD1 4.44Å; F425-Y564 AromaticContact CD1-CE1 3.78Å; F425-Y564 HydrophobicContact CD1-CE1 3.78Å; F425-Y564 AromaticContact CD1-CE2 3.93Å; F425-Y564 HydrophobicContact CD1-CE2 3.93Å; F425-Y564 AromaticContact CD1-CZ 3.51Å; F425-Y564 HydrophobicContact CE1-CE1 4.17Å; F425-Y564 WeakPolarHBondContact O-CE2 3.44Å; F425-Y564 PolarHBondContact O-OH 2.96Å; A429-Y564 HydrophobicContact CB-CD2 4.44Å; A429-Y564 HydrophobicContact CB-CE2 3.81Å; E560-Y564 PolarHBondContact O-N 3.3Å; Y564-M568 HydrophobicContact CD1-CE 3.84Å; Y564-M568 HydrophobicContact CD1-SD 3.99Å; Y564-M568 HydrophobicContact CE1-CE 4.23Å; Y564-M568 WeakPolarHBondContact O-CB 3.5Å; Y564-W569 HydrophobicContact CD2-CE3 4.17Å
565	Q	82.4	Confident	79.2	Confident	145 Å²	145	44.8 Å²	44.8	68%	0.678	24%	0.235	S	C	*	.			trans	67.4	144.9	-162.4	-48	173.9	-11.4	0	0	111.8	T561 S567 M568 W569	T561-Q565 CarbonylContact O-C 3.52Å; T561-Q565 VanDerWaalsContact O-C 3.28Å; T561-Q565 WeakPolarHBondContact O-CA 3.45Å; T561-Q565 PolarHBondContact O-N 3.21Å; Q565-S567 PolarHBondContact O-N 2.87Å; Q565-S567 VanDerWaalsContact O-N 3.13Å; Q565-M568 PolarHBondContact O-N 3.48Å; Q565-W569 PolarHBondContact O-N 3.16Å; Q565-W569 VanDerWaalsContact O-N 3.13Å
566	S	71.7	Confident	80.3	Confident	29 Å²	29	43.9 Å²	43.9	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-32.7	-172.5	-38.7	0	0	0	0	113.8	F242 T561 A570	F242-S566 VanDerWaalsContact CE2-CB 3.42Å; F242-S566 WeakPolarHBondContact CE2-OG 3.5Å; F242-S566 VanDerWaalsContact CZ-OG 3.27Å; F242-S566 WeakPolarHBondContact CZ-OG 3.16Å; T561-S566 WeakPolarHBondContact CG2-OG 3.48Å; T561-S566 PolarHBondContact O-N 3.14Å; S566-A570 WeakPolarHBondContact O-CB 3.33Å; S566-A570 PolarHBondContact O-N 3.3Å
567	S	73.8	Confident	81.3	Confident	73 Å²	73	42 Å²	42	51%	0.51	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-52.6	178.3	-175.7	0	0	0	0	112.3	Q565 V571	Q565-S567 PolarHBondContact O-N 2.87Å; Q565-S567 VanDerWaalsContact O-N 3.13Å; S567-V571 WeakPolarHBondContact O-CG2 3.46Å; S567-V571 PolarHBondContact O-N 2.88Å
568	M	83	Confident	82	Confident	90 Å²	90	41.8 Å²	41.8	44%	0.443	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-42.3	-178.5	-177.6	175.5	168.3	0	0	111.5	F425 Y564 Q565 V571 I572	F425-M568 HydrophobicContact CD1-CE 4.45Å; F425-M568 HydrophobicContact CE1-CE 3.7Å; Y564-M568 HydrophobicContact CD1-CE 3.84Å; Y564-M568 HydrophobicContact CD1-SD 3.99Å; Y564-M568 HydrophobicContact CE1-CE 4.23Å; Y564-M568 WeakPolarHBondContact O-CB 3.5Å; Q565-M568 PolarHBondContact O-N 3.48Å; M568-V571 PolarHBondContact O-N 3.27Å; M568-I572 HydrophobicContact CE-CD1 4.02Å; M568-I572 HydrophobicContact CG-CD1 3.94Å; M568-I572 WeakPolarHBondContact O-CD1 3.49Å; M568-I572 WeakPolarHBondContact O-CG1 3.26Å; M568-I572 PolarHBondContact O-N 3.49Å; M568-I572 VanDerWaalsContact O-N 3.08Å
569	W	85.9	Confident	82.7	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-42.6	-180	-176.2	-125.7	0	0	0	112.4	I422 F425 Q554 E560 Y564 Q565 V571 I572 V573	I422-W569 HydrophobicContact CG2-CH2 4.24Å; F425-W569 HydrophobicContact CB-CZ3 4.03Å; Q554-W569 HydrophobicContact CB-CZ2 3.94Å; Q554-W569 HydrophobicContact CG-CZ2 4.44Å; Q554-W569 PolarHBondContact O-NE1 2.93Å; E560-W569 HydrophobicContact CB-CD2 3.78Å; E560-W569 HydrophobicContact CB-CE3 4.17Å; E560-W569 HydrophobicContact CB-CG 4.26Å; E560-W569 HydrophobicContact CB-CH2 4.15Å; E560-W569 HydrophobicContact CB-CZ2 3.72Å; E560-W569 HydrophobicContact CB-CZ3 4.35Å; E560-W569 HydrophobicContact CG-CH2 3.96Å; E560-W569 HydrophobicContact CG-CZ2 3.81Å; E560-W569 HydrophobicContact CG-CZ3 4.42Å; Y564-W569 HydrophobicContact CD2-CE3 4.17Å; Q565-W569 PolarHBondContact O-N 3.16Å; Q565-W569 VanDerWaalsContact O-N 3.13Å; W569-V571 PolarHBondContact O-N 3.23Å; W569-I572 HydrophobicContact CE3-CB 4.33Å; W569-I572 HydrophobicContact CE3-CD1 4.37Å; W569-I572 HydrophobicContact CE3-CG2 4.29Å; W569-I572 HydrophobicContact CZ3-CG2 4.1Å; W569-I572 PolarHBondContact O-N 3.2Å; W569-V573 HydrophobicContact CD2-CG2 3.8Å; W569-V573 VanDerWaalsContact CE2-CG2 3.46Å; W569-V573 HydrophobicContact CE3-CG2 4.17Å; W569-V573 HydrophobicContact CG-CG2 4.41Å; W569-V573 HydrophobicContact CH2-CG2 3.97Å; W569-V573 HydrophobicContact CZ2-CG2 3.59Å; W569-V573 HydrophobicContact CZ3-CG2 4.23Å; W569-V573 WeakPolarHBondContact O-CG2 3.27Å; W569-V573 PolarHBondContact O-N 2.59Å
570	A	78	Confident	83.2	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-43.3	176.4	0	0	0	0	0	112.6	Q239 T240 F555 S566 I572 V573 N574	Q239-A570 HydrophobicContact CB-CB 4.45Å; T240-A570 HydrophobicContact CG2-CB 3.37Å; F555-A570 HydrophobicContact CE1-CB 4.02Å; F555-A570 HydrophobicContact CZ-CB 4.4Å; S566-A570 WeakPolarHBondContact O-CB 3.33Å; S566-A570 PolarHBondContact O-N 3.3Å; A570-I572 VanDerWaalsContact C-N 3.34Å; A570-I572 PolarHBondContact O-N 3.47Å; A570-V573 PolarHBondContact O-N 3.33Å; A570-N574 VanDerWaalsContact O-CB 3.27Å; A570-N574 WeakPolarHBondContact O-CB 3.43Å; A570-N574 PolarHBondContact O-N 3.3Å; A570-N574 PolarHBondContact O-ND2 3.04Å
571	V	81.1	Confident	83.4	Confident	73 Å²	73	40.8 Å²	40.8	44%	0.442	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-45.2	175.5	173.2	0	0	0	0	111	S567 M568 W569 V573 V575	S567-V571 WeakPolarHBondContact O-CG2 3.46Å; S567-V571 PolarHBondContact O-N 2.88Å; M568-V571 PolarHBondContact O-N 3.27Å; W569-V571 PolarHBondContact O-N 3.23Å; V571-V573 PolarHBondContact O-N 2.96Å; V571-V575 HydrophobicContact CG1-CG2 4.36Å; V571-V575 WeakPolarHBondContact O-CB 2.98Å; V571-V575 VanDerWaalsContact O-CG2 3.24Å; V571-V575 WeakPolarHBondContact O-CG2 3.43Å; V571-V575 PolarHBondContact O-N 2.93Å
572	I	86.9	Confident	83.8	Confident	21 Å²	21	40.4 Å²	40.4	11%	0.108	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-49	179.3	-69.6	161.9	0	0	0	111.1	I421 I422 F425 M568 W569 A570 G576	I421-I572 HydrophobicContact CG2-CG2 4.1Å; I422-I572 HydrophobicContact CG1-CG2 4.34Å; F425-I572 HydrophobicContact CD1-CD1 3.46Å; F425-I572 VanDerWaalsContact CD1-CD1 3.46Å; F425-I572 HydrophobicContact CE1-CD1 3.61Å; F425-I572 HydrophobicContact CG-CD1 4.03Å; F425-I572 HydrophobicContact CG-CG2 4.5Å; F425-I572 HydrophobicContact CZ-CD1 4.27Å; M568-I572 HydrophobicContact CE-CD1 4.02Å; M568-I572 HydrophobicContact CG-CD1 3.94Å; M568-I572 WeakPolarHBondContact O-CD1 3.49Å; M568-I572 WeakPolarHBondContact O-CG1 3.26Å; M568-I572 PolarHBondContact O-N 3.49Å; M568-I572 VanDerWaalsContact O-N 3.08Å; W569-I572 HydrophobicContact CE3-CB 4.33Å; W569-I572 HydrophobicContact CE3-CD1 4.37Å; W569-I572 HydrophobicContact CE3-CG2 4.29Å; W569-I572 HydrophobicContact CZ3-CG2 4.1Å; W569-I572 PolarHBondContact O-N 3.2Å; A570-I572 VanDerWaalsContact C-N 3.34Å; A570-I572 PolarHBondContact O-N 3.47Å; I572-G576 PolarHBondContact O-N 2.63Å
573	V	83.4	Confident	84.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-43.6	-177	176.5	0	0	0	0	111.1	Q554 F555 W569 A570 V571 V575 G576 L577	Q554-V573 HydrophobicContact CB-CG1 4.26Å; Q554-V573 HydrophobicContact CB-CG2 4.08Å; F555-V573 HydrophobicContact CD2-CG1 4.24Å; F555-V573 HydrophobicContact CE1-CB 4.24Å; F555-V573 HydrophobicContact CE1-CG1 4.48Å; F555-V573 HydrophobicContact CE2-CB 3.97Å; F555-V573 HydrophobicContact CE2-CG1 3.38Å; F555-V573 HydrophobicContact CZ-CB 3.54Å; F555-V573 HydrophobicContact CZ-CG1 3.54Å; F555-V573 HydrophobicContact CZ-CG2 4.26Å; W569-V573 HydrophobicContact CD2-CG2 3.8Å; W569-V573 VanDerWaalsContact CE2-CG2 3.46Å; W569-V573 HydrophobicContact CE3-CG2 4.17Å; W569-V573 HydrophobicContact CG-CG2 4.41Å; W569-V573 HydrophobicContact CH2-CG2 3.97Å; W569-V573 HydrophobicContact CZ2-CG2 3.59Å; W569-V573 HydrophobicContact CZ3-CG2 4.23Å; W569-V573 WeakPolarHBondContact O-CG2 3.27Å; W569-V573 PolarHBondContact O-N 2.59Å; A570-V573 PolarHBondContact O-N 3.33Å; V571-V573 PolarHBondContact O-N 2.96Å; V573-V575 VanDerWaalsContact C-N 3.34Å; V573-V575 PolarHBondContact O-N 3.43Å; V573-G576 PolarHBondContact O-N 3.22Å; V573-L577 HydrophobicContact CG1-CB 4.42Å; V573-L577 WeakPolarHBondContact O-CB 3.48Å; V573-L577 PolarHBondContact O-N 3.13Å
574	N	79.8	Confident	84.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73	-25.7	-177.9	-64.8	-31.3	0	0	0	113.1	V232 S236 Q239 R552 A570 P578	V232-N574 HydrophobicContact CG1-CB 4.09Å; V232-N574 WeakPolarHBondContact CG1-O 3.39Å; S236-N574 WeakPolarHBondContact CA-ND2 3.43Å; S236-N574 PolarHBondContact N-ND2 2.9Å; S236-N574 VanDerWaalsContact OG-CB 3.31Å; S236-N574 WeakPolarHBondContact OG-CB 3.02Å; S236-N574 PolarHBondContact OG-ND2 2.74Å; Q239-N574 PolarHBondContact NE2-OD1 3.22Å; Q239-N574 PolarHBondContact OE1-ND2 3.44Å; Q239-N574 PolarHBondContact OE1-OD1 2.84Å; R552-N574 PolarHBondContact NH1-OD1 3.2Å; A570-N574 VanDerWaalsContact O-CB 3.27Å; A570-N574 WeakPolarHBondContact O-CB 3.43Å; A570-N574 PolarHBondContact O-N 3.3Å; A570-N574 PolarHBondContact O-ND2 3.04Å; N574-P578 WeakPolarHBondContact O-CD 3.45Å; N574-P578 VanDerWaalsContact O-CG 3.29Å; N574-P578 WeakPolarHBondContact O-CG 3.49Å
575	V	83.1	Confident	84.5	Confident	56 Å²	56	29.5 Å²	29.5	34%	0.339	16%	0.161	S	C	.	.	H	α-helix	trans	-75.5	-47.2	167.9	172.7	0	0	0	0	110.5	W228 V232 V571 V573 F579	W228-V575 HydrophobicContact CH2-CG1 4.36Å; V232-V575 HydrophobicContact CG1-CG2 3.83Å; V571-V575 HydrophobicContact CG1-CG2 4.36Å; V571-V575 WeakPolarHBondContact O-CB 2.98Å; V571-V575 VanDerWaalsContact O-CG2 3.24Å; V571-V575 WeakPolarHBondContact O-CG2 3.43Å; V571-V575 PolarHBondContact O-N 2.93Å; V573-V575 VanDerWaalsContact C-N 3.34Å; V573-V575 PolarHBondContact O-N 3.43Å; V575-F579 HydrophobicContact CG1-CE2 4.36Å; V575-F579 WeakPolarHBondContact O-CD2 3.23Å
576	G	87.6	Confident	84.8	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-76.2	-34	-171.7	0	0	0	0	0	115.1	G418 I422 I572 V573 F579 G580	G418-G576 CarbonylContact C-O 3.44Å; I422-G576 VanDerWaalsContact CD1-C 3.49Å; I572-G576 PolarHBondContact O-N 2.63Å; V573-G576 PolarHBondContact O-N 3.22Å; G576-F579 PolarHBondContact O-N 2.92Å; G576-G580 PolarHBondContact O-N 3.4Å
577	L	85.4	Confident	85.8	Confident	5 Å²	5	21.3 Å²	21.3	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-44.5	-172.7	-172.9	73.7	0	0	0	112.4	I422 P547 R552 V573 F579 G580 I581	I422-L577 HydrophobicContact CD1-CB 4.31Å; P547-L577 HydrophobicContact CB-CD1 3.96Å; R552-L577 HydrophobicContact CG-CD2 3.96Å; V573-L577 HydrophobicContact CG1-CB 4.42Å; V573-L577 WeakPolarHBondContact O-CB 3.48Å; V573-L577 PolarHBondContact O-N 3.13Å; L577-F579 VanDerWaalsContact C-N 3.34Å; L577-F579 PolarHBondContact O-N 3.46Å; L577-G580 CarbonylContact O-C 3.28Å; L577-G580 WeakPolarHBondContact O-CA 3.26Å; L577-G580 PolarHBondContact O-N 3.33Å; L577-I581 HydrophobicContact CG-CD1 4.2Å; L577-I581 WeakPolarHBondContact O-CG1 3.4Å; L577-I581 PolarHBondContact O-N 3.15Å
578	P	85.6	Confident	86.6	Confident	5 Å²	5	19.3 Å²	19.3	3%	0.032	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-41.6	174.7	-24.4	35.1	0	0	0	112.9	V232 I291 E292 L295 N574 G580 I581 F582	V232-P578 HydrophobicContact CG2-CG 4.48Å; I291-P578 HydrophobicContact CG2-CB 3.58Å; I291-P578 HydrophobicContact CG2-CG 3.6Å; E292-P578 VanDerWaalsContact OE1-CA 3.31Å; E292-P578 WeakPolarHBondContact OE1-CA 3.27Å; E292-P578 VanDerWaalsContact OE1-O 3.09Å; L295-P578 HydrophobicContact CD1-CB 4Å; N574-P578 WeakPolarHBondContact O-CD 3.45Å; N574-P578 VanDerWaalsContact O-CG 3.29Å; N574-P578 WeakPolarHBondContact O-CG 3.49Å; P578-G580 VanDerWaalsContact C-N 3.28Å; P578-G580 PolarHBondContact O-N 3.29Å; P578-I581 PolarHBondContact O-N 2.98Å; P578-F582 WeakPolarHBondContact O-CB 3.48Å; P578-F582 PolarHBondContact O-N 3.34Å
579	F	89.3	Confident	86.7	Confident	58 Å²	58	15.4 Å²	15.4	25%	0.254	9%	0.086	S	C	.	.	H	α-helix	trans	-61.9	-37.7	173.4	-76.2	-66.7	0	0	0	112	W228 L295 A415 V575 G576 L577 Y583	W228-F579 AromaticContact CH2-CE2 3.62Å; W228-F579 HydrophobicContact CH2-CE2 3.62Å; W228-F579 AromaticContact CH2-CZ 3.95Å; W228-F579 HydrophobicContact CH2-CZ 3.95Å; W228-F579 HydrophobicContact CZ2-CD2 4.26Å; W228-F579 AromaticContact CZ2-CE2 3.46Å; W228-F579 HydrophobicContact CZ2-CE2 3.46Å; W228-F579 VanDerWaalsContact CZ2-CE2 3.46Å; W228-F579 AromaticContact CZ2-CZ 3.88Å; W228-F579 HydrophobicContact CZ2-CZ 3.88Å; L295-F579 HydrophobicContact CD2-CE1 4.21Å; L295-F579 HydrophobicContact CD2-CZ 4.47Å; A415-F579 CarbonylContact O-C 3.58Å; A415-F579 WeakPolarHBondContact O-CB 3.48Å; V575-F579 HydrophobicContact CG1-CE2 4.36Å; V575-F579 WeakPolarHBondContact O-CD2 3.23Å; G576-F579 PolarHBondContact O-N 2.92Å; L577-F579 VanDerWaalsContact C-N 3.34Å; L577-F579 PolarHBondContact O-N 3.46Å; F579-Y583 VanDerWaalsContact O-CB 3.25Å; F579-Y583 WeakPolarHBondContact O-CB 3.27Å; F579-Y583 PolarHBondContact O-N 2.92Å
580	G	89.8	Confident	86.8	Confident	5 Å²	5	15.4 Å²	15.4	5%	0.052	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-43.6	172.8	0	0	0	0	0	113.3	G576 L577 P578 Y583 R584	G576-G580 PolarHBondContact O-N 3.4Å; L577-G580 CarbonylContact O-C 3.28Å; L577-G580 WeakPolarHBondContact O-CA 3.26Å; L577-G580 PolarHBondContact O-N 3.33Å; P578-G580 VanDerWaalsContact C-N 3.28Å; P578-G580 PolarHBondContact O-N 3.29Å; G580-Y583 WeakPolarHBondContact O-CB 2.96Å; G580-Y583 PolarHBondContact O-N 3.17Å; G580-R584 WeakPolarHBondContact O-CG 3.42Å; G580-R584 PolarHBondContact O-N 3.26Å; G580-R584 VanDerWaalsContact O-N 3.08Å
581	I	87.9	Confident	87.4	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-50.1	176.5	-66.5	168.4	0	0	0	109.9	E292 W544 P547 L577 P578 Y583 R584 M585	E292-I581 VanDerWaalsContact CD-CG2 3.43Å; E292-I581 HydrophobicContact CG-CG2 3.91Å; E292-I581 VanDerWaalsContact OE1-CB 3.29Å; E292-I581 WeakPolarHBondContact OE1-CB 2.88Å; E292-I581 WeakPolarHBondContact OE1-CG2 3.48Å; W544-I581 VanDerWaalsContact CD1-CG2 3.49Å; P547-I581 HydrophobicContact CB-CD1 4.24Å; P547-I581 HydrophobicContact CB-CG1 4.09Å; P547-I581 HydrophobicContact CG-CG1 4Å; L577-I581 HydrophobicContact CG-CD1 4.2Å; L577-I581 WeakPolarHBondContact O-CG1 3.4Å; L577-I581 PolarHBondContact O-N 3.15Å; P578-I581 PolarHBondContact O-N 2.98Å; I581-Y583 VanDerWaalsContact C-N 3.29Å; I581-Y583 PolarHBondContact O-N 2.87Å; I581-R584 PolarHBondContact O-N 2.97Å; I581-R584 VanDerWaalsContact O-N 3.14Å; I581-M585 PolarHBondContact O-N 3.37Å; I581-M585 VanDerWaalsContact O-N 3.11Å
582	F	88.4	Confident	87.7	Confident	11 Å²	11	16.3 Å²	16.3	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-43.9	175.2	-176.7	-99.8	0	0	0	111.7	L295 F296 A299 A415 P578 R584 M585 H586	L295-F582 HydrophobicContact CB-CD2 4.27Å; L295-F582 HydrophobicContact CD1-CB 4.34Å; F296-F582 HydrophobicContact CD1-CE2 4.21Å; F296-F582 AromaticContact CD2-CD2 3.68Å; F296-F582 HydrophobicContact CD2-CD2 3.68Å; F296-F582 AromaticContact CD2-CE2 3.72Å; F296-F582 HydrophobicContact CD2-CE2 3.72Å; F296-F582 HydrophobicContact CE1-CE2 4.1Å; F296-F582 AromaticContact CE2-CD2 3.38Å; F296-F582 HydrophobicContact CE2-CD2 3.38Å; F296-F582 AromaticContact CE2-CE2 3.6Å; F296-F582 HydrophobicContact CE2-CE2 3.6Å; F296-F582 HydrophobicContact CG-CD2 4.43Å; F296-F582 HydrophobicContact CG-CE2 4.02Å; F296-F582 AromaticContact CZ-CD2 3.91Å; F296-F582 HydrophobicContact CZ-CD2 3.91Å; F296-F582 AromaticContact CZ-CE2 3.77Å; F296-F582 HydrophobicContact CZ-CE2 3.77Å; A299-F582 HydrophobicContact CB-CZ 4.22Å; A415-F582 HydrophobicContact CB-CD1 3.64Å; A415-F582 HydrophobicContact CB-CE1 4.23Å; P578-F582 WeakPolarHBondContact O-CB 3.48Å; P578-F582 PolarHBondContact O-N 3.34Å; F582-R584 PolarHBondContact O-N 3.42Å; F582-M585 PolarHBondContact O-N 3.14Å; F582-H586 VanDerWaalsContact O-CB 3.27Å; F582-H586 WeakPolarHBondContact O-CB 3.23Å; F582-H586 PolarHBondContact O-N 2.96Å
583	Y	92.3	Very high	87.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-46.2	176	169	-96.8	0	0	0	112.5	L412 A415 L454 Q457 N458 F579 G580 I581 H586 S587	L412-Y583 HydrophobicContact CD1-CD2 3.9Å; L412-Y583 HydrophobicContact CD1-CE2 3.56Å; L412-Y583 HydrophobicContact CG-CD2 4.46Å; L412-Y583 HydrophobicContact CG-CE2 4.04Å; A415-Y583 HydrophobicContact CB-CD2 4.38Å; L454-Y583 HydrophobicContact CD2-CD1 3.69Å; L454-Y583 HydrophobicContact CD2-CE1 3.12Å; Q457-Y583 PolarHBondContact NE2-OH 3.16Å; Q457-Y583 VanDerWaalsContact NE2-OH 3.16Å; N458-Y583 WeakPolarHBondContact OD1-CE2 3.48Å; N458-Y583 PolarHBondContact OD1-OH 2.99Å; N458-Y583 VanDerWaalsContact OD1-OH 3.08Å; F579-Y583 VanDerWaalsContact O-CB 3.25Å; F579-Y583 WeakPolarHBondContact O-CB 3.27Å; F579-Y583 PolarHBondContact O-N 2.92Å; G580-Y583 WeakPolarHBondContact O-CB 2.96Å; G580-Y583 PolarHBondContact O-N 3.17Å; I581-Y583 VanDerWaalsContact C-N 3.29Å; I581-Y583 PolarHBondContact O-N 2.87Å; Y583-H586 PolarHBondContact O-N 3.4Å; Y583-S587 WeakPolarHBondContact CE2-OG 3.41Å; Y583-S587 VanDerWaalsContact CZ-OG 3.22Å; Y583-S587 VanDerWaalsContact O-CB 3.26Å; Y583-S587 WeakPolarHBondContact O-CB 3.44Å; Y583-S587 PolarHBondContact O-N 2.87Å; Y583-S587 PolarHBondContact O-OG 3.16Å
584	R	93.1	Very high	87.6	Confident	11 Å²	11	19.2 Å²	19.2	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-42.6	-179	-67.1	-63.3	-179.2	-167.5	-0.9	111.2	N540 W544 G580 I581 F582 S587 V588	N540-R584 WeakPolarHBondContact OD1-CD 3.31Å; N540-R584 PolarHBondContact OD1-NH1 3.3Å; W544-R584 HydrophobicContact CB-CB 3.8Å; G580-R584 WeakPolarHBondContact O-CG 3.42Å; G580-R584 PolarHBondContact O-N 3.26Å; G580-R584 VanDerWaalsContact O-N 3.08Å; I581-R584 PolarHBondContact O-N 2.97Å; I581-R584 VanDerWaalsContact O-N 3.14Å; F582-R584 PolarHBondContact O-N 3.42Å; R584-S587 PolarHBondContact O-N 3.42Å; R584-V588 WeakPolarHBondContact O-CG2 3.3Å; R584-V588 PolarHBondContact O-N 3.38Å
585	M	87.1	Confident	87.9	Confident	30 Å²	30	19.7 Å²	19.7	15%	0.148	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-44.3	177.3	-175	168.7	178.6	0	0	112.5	G146 F150 F296 I581 F582 S587 V588 A589	G146-M585 VanDerWaalsContact CA-CE 3.49Å; F150-M585 HydrophobicContact CE2-CE 3.8Å; F150-M585 HydrophobicContact CE2-SD 3.36Å; F150-M585 WeakPolarHBondContact CE2-SD 3.28Å; F150-M585 HydrophobicContact CZ-CE 4.28Å; F150-M585 HydrophobicContact CZ-SD 3.53Å; F150-M585 VanDerWaalsContact CZ-SD 3.53Å; F296-M585 HydrophobicContact CE1-CE 4.2Å; F296-M585 HydrophobicContact CE1-SD 4.3Å; F296-M585 HydrophobicContact CE2-CE 4.48Å; F296-M585 HydrophobicContact CE2-SD 3.69Å; F296-M585 HydrophobicContact CZ-CB 4.4Å; F296-M585 HydrophobicContact CZ-CE 3.79Å; F296-M585 HydrophobicContact CZ-CG 3.89Å; F296-M585 HydrophobicContact CZ-SD 3.33Å; F296-M585 WeakPolarHBondContact CZ-SD 2.99Å; I581-M585 PolarHBondContact O-N 3.37Å; I581-M585 VanDerWaalsContact O-N 3.11Å; F582-M585 PolarHBondContact O-N 3.14Å; M585-S587 VanDerWaalsContact C-N 3.31Å; M585-S587 PolarHBondContact O-N 3.5Å; M585-V588 WeakPolarHBondContact O-CB 3.04Å; M585-V588 PolarHBondContact O-N 3.41Å; M585-A589 PolarHBondContact O-N 3.23Å
586	H	87.8	Confident	87.7	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-44	175.4	-171.6	107.1	0	0	0	110.7	W142 D408 F582 Y583 V588 A589 S590	W142-H586 HydrophobicContact CH2-CB 4.27Å; W142-H586 AromaticContact CH2-CG 3.95Å; W142-H586 AromaticContact CH2-ND1 3.5Å; D408-H586 IonicContact OD1-CE1 3.53Å; D408-H586 PolarHBondContact OD1-CE1 2.98Å; D408-H586 IonicContact OD1-NE2 3.43Å; D408-H586 PolarHBondContact OD1-NE2 3.36Å; D408-H586 VanDerWaalsContact OD1-NE2 3.14Å; D408-H586 IonicContact OD2-NE2 3.1Å; F582-H586 VanDerWaalsContact O-CB 3.27Å; F582-H586 WeakPolarHBondContact O-CB 3.23Å; F582-H586 PolarHBondContact O-N 2.96Å; Y583-H586 PolarHBondContact O-N 3.4Å; H586-V588 VanDerWaalsContact C-N 3.34Å; H586-V588 PolarHBondContact O-N 3.13Å; H586-A589 WeakPolarHBondContact O-CB 3.4Å; H586-A589 PolarHBondContact O-N 3.39Å; H586-A589 VanDerWaalsContact O-N 3.1Å; H586-S590 PolarHBondContact CD2-OG 3.31Å; H586-S590 VanDerWaalsContact CD2-OG 3.31Å; H586-S590 PolarHBondContact O-N 3.44Å; H586-S590 PolarHBondContact O-OG 3.13Å; H586-S590 VanDerWaalsContact O-OG 3.11Å
587	S	92.3	Very high	86.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-40.1	176.1	-66.6	0	0	0	0	113.3	Q457 Y583 R584 M585 A589 S590 L591	Q457-S587 PolarHBondContact NE2-OG 3.37Å; Y583-S587 WeakPolarHBondContact CE2-OG 3.41Å; Y583-S587 VanDerWaalsContact CZ-OG 3.22Å; Y583-S587 VanDerWaalsContact O-CB 3.26Å; Y583-S587 WeakPolarHBondContact O-CB 3.44Å; Y583-S587 PolarHBondContact O-N 2.87Å; Y583-S587 PolarHBondContact O-OG 3.16Å; R584-S587 PolarHBondContact O-N 3.42Å; M585-S587 VanDerWaalsContact C-N 3.31Å; M585-S587 PolarHBondContact O-N 3.5Å; S587-A589 VanDerWaalsContact C-N 3.26Å; S587-A589 PolarHBondContact O-N 2.93Å; S587-S590 PolarHBondContact O-N 3.32Å; S587-L591 VanDerWaalsContact O-CB 3.23Å; S587-L591 WeakPolarHBondContact O-CB 3.3Å; S587-L591 WeakPolarHBondContact O-CD1 3.11Å; S587-L591 WeakPolarHBondContact O-CG 3.16Å; S587-L591 PolarHBondContact O-N 2.72Å
588	V	91.5	Very high	86.1	Confident	31 Å²	31	20.9 Å²	20.9	19%	0.188	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-44.5	174.9	163.1	0	0	0	0	110.6	L537 N540 V541 R584 M585 H586 F592	L537-V588 HydrophobicContact CD2-CG1 4.05Å; L537-V588 HydrophobicContact CG-CG1 3.97Å; N540-V588 HydrophobicContact CB-CG2 3.57Å; V541-V588 HydrophobicContact CG2-CG1 4.27Å; V541-V588 HydrophobicContact CG2-CG2 3.78Å; R584-V588 WeakPolarHBondContact O-CG2 3.3Å; R584-V588 PolarHBondContact O-N 3.38Å; M585-V588 WeakPolarHBondContact O-CB 3.04Å; M585-V588 PolarHBondContact O-N 3.41Å; H586-V588 VanDerWaalsContact C-N 3.34Å; H586-V588 PolarHBondContact O-N 3.13Å; V588-F592 WeakPolarHBondContact O-CB 3.01Å; V588-F592 PolarHBondContact O-N 3.27Å
589	A	85.4	Confident	86.1	Confident	9 Å²	9	21.7 Å²	21.7	7%	0.074	11%	0.107	C	C	.	.	H	α-helix	trans	-71.6	-45.6	-179.6	0	0	0	0	0	113.1	W142 M585 H586 S587 L591 F592 E593	W142-A589 HydrophobicContact CB-CB 4.06Å; W142-A589 HydrophobicContact CD2-CB 3.08Å; W142-A589 HydrophobicContact CE3-CB 3.46Å; W142-A589 VanDerWaalsContact CE3-CB 3.46Å; W142-A589 HydrophobicContact CG-CB 3.36Å; W142-A589 HydrophobicContact CH2-CB 4.09Å; W142-A589 HydrophobicContact CZ2-CB 3.77Å; W142-A589 HydrophobicContact CZ3-CB 3.94Å; M585-A589 PolarHBondContact O-N 3.23Å; H586-A589 WeakPolarHBondContact O-CB 3.4Å; H586-A589 PolarHBondContact O-N 3.39Å; H586-A589 VanDerWaalsContact O-N 3.1Å; S587-A589 VanDerWaalsContact C-N 3.26Å; S587-A589 PolarHBondContact O-N 2.93Å; A589-L591 VanDerWaalsContact C-N 3.29Å; A589-L591 PolarHBondContact O-N 3.14Å; A589-F592 WeakPolarHBondContact O-CB 3.28Å; A589-F592 PolarHBondContact O-N 2.82Å; A589-F592 VanDerWaalsContact O-N 3.12Å; A589-E593 PolarHBondContact O-N 2.98Å
590	S	87.5	Confident	86	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-39.9	175.9	-49.7	0	0	0	0	111.1	I461 H586 S587 F592 E593 V594	I461-S590 VanDerWaalsContact CG2-CB 3.43Å; H586-S590 PolarHBondContact CD2-OG 3.31Å; H586-S590 VanDerWaalsContact CD2-OG 3.31Å; H586-S590 PolarHBondContact O-N 3.44Å; H586-S590 PolarHBondContact O-OG 3.13Å; H586-S590 VanDerWaalsContact O-OG 3.11Å; S587-S590 PolarHBondContact O-N 3.32Å; S590-F592 VanDerWaalsContact C-N 3.33Å; S590-F592 PolarHBondContact O-N 2.76Å; S590-E593 PolarHBondContact O-N 3.33Å; S590-V594 WeakPolarHBondContact O-CG2 3.19Å; S590-V594 PolarHBondContact O-N 3.25Å
591	L	90.7	Very high	85.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-34.7	174.8	-74.7	167.4	0	0	0	112.7	F460 I461 L536 N540 S587 A589 V594 Y595	F460-L591 HydrophobicContact CD1-CD2 4.01Å; F460-L591 HydrophobicContact CE1-CD2 3.7Å; I461-L591 HydrophobicContact CD1-CD1 4.43Å; I461-L591 HydrophobicContact CD1-CD2 4.26Å; I461-L591 HydrophobicContact CD1-CG 3.96Å; I461-L591 HydrophobicContact CG1-CD2 3.84Å; I461-L591 HydrophobicContact CG1-CG 4.04Å; L536-L591 HydrophobicContact CB-CD1 3.73Å; L536-L591 HydrophobicContact CB-CD2 4.21Å; L536-L591 HydrophobicContact CD1-CD2 4.2Å; N540-L591 WeakPolarHBondContact ND2-CD1 3.43Å; S587-L591 VanDerWaalsContact O-CB 3.23Å; S587-L591 WeakPolarHBondContact O-CB 3.3Å; S587-L591 WeakPolarHBondContact O-CD1 3.11Å; S587-L591 WeakPolarHBondContact O-CG 3.16Å; S587-L591 PolarHBondContact O-N 2.72Å; A589-L591 VanDerWaalsContact C-N 3.29Å; A589-L591 PolarHBondContact O-N 3.14Å; L591-V594 PolarHBondContact O-N 2.02Å; L591-Y595 WeakPolarHBondContact O-CB 3.27Å; L591-Y595 PolarHBondContact O-N 3.48Å
592	F	87.5	Confident	85.6	Confident	93 Å²	93	21.6 Å²	21.6	41%	0.408	11%	0.107	S	C	.	.	H	α-helix	trans	-65.9	-39.3	173.1	-176.1	-103.9	0	0	0	111.6	F322 L537 V588 A589 S590 Y595 L596	F322-F592 HydrophobicContact CD2-CE2 4.49Å; F322-F592 HydrophobicContact CD2-CZ 4.42Å; F322-F592 AromaticContact CE2-CE2 3.9Å; F322-F592 HydrophobicContact CE2-CE2 3.9Å; F322-F592 HydrophobicContact CE2-CZ 4.22Å; L537-F592 HydrophobicContact CD1-CB 3.98Å; L537-F592 HydrophobicContact CD1-CD2 4.14Å; V588-F592 WeakPolarHBondContact O-CB 3.01Å; V588-F592 PolarHBondContact O-N 3.27Å; A589-F592 WeakPolarHBondContact O-CB 3.28Å; A589-F592 PolarHBondContact O-N 2.82Å; A589-F592 VanDerWaalsContact O-N 3.12Å; S590-F592 VanDerWaalsContact C-N 3.33Å; S590-F592 PolarHBondContact O-N 2.76Å; F592-Y595 WeakPolarHBondContact O-CB 3.24Å; F592-Y595 PolarHBondContact O-N 2.67Å; F592-L596 HydrophobicContact CD1-CD1 4.04Å; F592-L596 HydrophobicContact CE1-CD1 3.65Å; F592-L596 HydrophobicContact CE1-CG 4.27Å; F592-L596 HydrophobicContact CZ-CD1 4.22Å; F592-L596 HydrophobicContact CZ-CG 4.46Å; F592-L596 WeakPolarHBondContact O-CG 3.32Å; F592-L596 PolarHBondContact O-N 2.82Å
593	E	83.3	Confident	85.5	Confident	80 Å²	80	22.3 Å²	22.3	37%	0.374	11%	0.11	S	C	.	.	H	α-helix	trans	-65.9	-44.9	173.7	-173.6	171.7	166.1	0	0	111.8	L465 A589 S590 Y595 L596 N597	L465-E593 HydrophobicContact CD2-CB 4.21Å; L465-E593 HydrophobicContact CD2-CG 4.08Å; A589-E593 PolarHBondContact O-N 2.98Å; S590-E593 PolarHBondContact O-N 3.33Å; E593-Y595 VanDerWaalsContact C-N 3.27Å; E593-Y595 PolarHBondContact O-N 2.96Å; E593-L596 PolarHBondContact O-N 3.42Å; E593-L596 VanDerWaalsContact O-N 3.11Å; E593-N597 PolarHBondContact O-N 2.96Å; E593-N597 PolarHBondContact O-ND2 3.04Å
594	V	84.7	Confident	85	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-40.3	173.3	177.8	0	0	0	0	110.8	F390 L465 S590 L591 L596 N597 S598	F390-V594 HydrophobicContact CZ-CG1 4.1Å; L465-V594 HydrophobicContact CD2-CG2 4.03Å; L465-V594 HydrophobicContact CG-CG2 4.07Å; S590-V594 WeakPolarHBondContact O-CG2 3.19Å; S590-V594 PolarHBondContact O-N 3.25Å; L591-V594 PolarHBondContact O-N 2.02Å; V594-L596 VanDerWaalsContact C-N 3.33Å; V594-L596 PolarHBondContact O-N 3.49Å; V594-N597 PolarHBondContact O-N 3.2Å; V594-S598 WeakPolarHBondContact O-CB 3.41Å; V594-S598 PolarHBondContact O-N 3.3Å; V594-S598 PolarHBondContact O-OG 3.25Å
595	Y	85.4	Confident	84.4	Confident	11 Å²	11	24.6 Å²	24.6	4%	0.043	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-41	175	174.6	-86.5	0	0	0	112.6	F322 V327 R530 C533 L591 F592 E593	F322-Y595 HydrophobicContact CD2-CE1 4.15Å; F322-Y595 HydrophobicContact CE2-CD1 4.36Å; F322-Y595 AromaticContact CE2-CE1 3.76Å; F322-Y595 HydrophobicContact CE2-CE1 3.76Å; V327-Y595 HydrophobicContact CG1-CE2 4.42Å; V327-Y595 HydrophobicContact CG2-CE2 4.32Å; R530-Y595 HydrophobicContact CB-CD2 3.93Å; R530-Y595 HydrophobicContact CB-CE2 3.59Å; R530-Y595 HydrophobicContact CG-CD2 4.03Å; R530-Y595 HydrophobicContact CG-CE2 3.86Å; R530-Y595 WeakPolarHBondContact O-CD2 3.27Å; R530-Y595 WeakPolarHBondContact O-CE2 3.14Å; C533-Y595 HydrophobicContact CB-CD2 4.17Å; L591-Y595 WeakPolarHBondContact O-CB 3.27Å; L591-Y595 PolarHBondContact O-N 3.48Å; F592-Y595 WeakPolarHBondContact O-CB 3.24Å; F592-Y595 PolarHBondContact O-N 2.67Å; E593-Y595 VanDerWaalsContact C-N 3.27Å; E593-Y595 PolarHBondContact O-N 2.96Å
596	L	78.4	Confident	84.2	Confident	45 Å²	45	24.2 Å²	24.2	24%	0.236	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-37.7	177.3	-70.2	174.1	0	0	0	112.1	V320 F322 F592 E593 V594 S598	V320-L596 HydrophobicContact CG1-CB 4.37Å; V320-L596 WeakPolarHBondContact CG1-O 3.39Å; F322-L596 HydrophobicContact CB-CD2 4.44Å; F322-L596 HydrophobicContact CD2-CD2 3.78Å; F592-L596 HydrophobicContact CD1-CD1 4.04Å; F592-L596 HydrophobicContact CE1-CD1 3.65Å; F592-L596 HydrophobicContact CE1-CG 4.27Å; F592-L596 HydrophobicContact CZ-CD1 4.22Å; F592-L596 HydrophobicContact CZ-CG 4.46Å; F592-L596 WeakPolarHBondContact O-CG 3.32Å; F592-L596 PolarHBondContact O-N 2.82Å; E593-L596 PolarHBondContact O-N 3.42Å; E593-L596 VanDerWaalsContact O-N 3.11Å; V594-L596 VanDerWaalsContact C-N 3.33Å; V594-L596 PolarHBondContact O-N 3.49Å; L596-S598 VanDerWaalsContact C-N 3.33Å
597	N	71.4	Confident	83.9	Confident	38 Å²	38	26.2 Å²	26.2	20%	0.203	13%	0.131	C	C	.	.	H	α-helix	trans	-79	-17.1	-179.4	-66.2	-17.8	0	0	0	113.4	E593 V594	E593-N597 PolarHBondContact O-N 2.96Å; E593-N597 PolarHBondContact O-ND2 3.04Å; V594-N597 PolarHBondContact O-N 3.2Å
598	S	69.4	Low	83.2	Confident	4 Å²	4	28.5 Å²	28.5	3%	0.028	14%	0.143	C	C	.	.			trans	-70.6	0	174.4	-60.4	0	0	0	0	111.6	R526 L529 R530 V594 L596	R526-S598 VanDerWaalsContact CD-O 3.27Å; R526-S598 WeakPolarHBondContact CD-O 3.05Å; R526-S598 WeakPolarHBondContact CG-O 2.99Å; R526-S598 PolarHBondContact NE-O 3.38Å; R526-S598 PolarHBondContact NE-OXT 3.28Å; L529-S598 WeakPolarHBondContact CD2-OG 3.33Å; L529-S598 WeakPolarHBondContact CG-OG 3.39Å; R530-S598 VanDerWaalsContact CZ-OXT 3.25Å; R530-S598 PolarHBondContact NE-OXT 3.05Å; R530-S598 PolarHBondContact NH2-OXT 2.01Å; V594-S598 WeakPolarHBondContact O-CB 3.41Å; V594-S598 PolarHBondContact O-N 3.3Å; V594-S598 PolarHBondContact O-OG 3.25Å; L596-S598 VanDerWaalsContact C-N 3.33Å

Retrieved 598 of 598 residues in 663.4 ms (Link to these results)

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