A0A077Z6U4_TRITR Loading...

Paraplegin

AlphaFold DB , UniProt , Accession A0A077Z6U4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 744 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	28	Very low	36.7	Very low	244 Å²	244	147 Å²	147	100%	1.202	75%	0.751	S	S	*	*				0	91.3	0	-82.9	175.6	131.9	0	0	108.8
2	S	31.4	Very low	37.3	Very low	132 Å²	132	145 Å²	145	92%	0.923	74%	0.743	S	S	*	*			trans	173	60.5	167.1	44.8	0	0	0	0	110.2
3	G	33.4	Very low	38	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	73%	0.728	S	S	*	*			trans	-128.8	4.5	178.3	0	0	0	0	0	114.7
4	F	34.5	Very low	38.2	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.873	73%	0.725	S	S	*	*			trans	-107.4	57.6	-173.9	-90.9	-89.9	0	0	0	111.8
5	G	35.1	Very low	38.8	Very low	47 Å²	47	138.7 Å²	138.7	49%	0.485	71%	0.706	S	S	.	*	S	Bend	trans	-106	-43.4	172.7	0	0	0	0	0	113.6
6	Y	40.3	Very low	39.4	Very low	214 Å²	214	136.7 Å²	136.7	84%	0.839	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-20.2	-169.1	-79.8	-84.9	0	0	0	115.1	R8	Y6-R8 VanDerWaalsContact C-N 3.32Å; Y6-R8 PolarHBondContact O-N 3.44Å
7	F	40.7	Very low	39.7	Very low	163 Å²	163	133.1 Å²	133.1	72%	0.715	68%	0.682	S	S	*	*	H	α-helix	trans	-77	-14.1	179.8	-110.8	-88.1	0	0	0	114.4
8	R	38	Very low	40.1	Very low	204 Å²	204	134.3 Å²	134.3	77%	0.77	68%	0.677	S	S	*	*	H	α-helix	trans	-83.1	-31.1	-175.9	-132.4	173.5	-179.4	171.4	-1.1	112.8	Y6 L12	Y6-R8 VanDerWaalsContact C-N 3.32Å; Y6-R8 PolarHBondContact O-N 3.44Å; R8-L12 PolarHBondContact O-N 3.31Å
9	I	44.6	Very low	40.3	Very low	103 Å²	103	134.7 Å²	134.7	53%	0.528	67%	0.673	S	S	.	*	H	α-helix	trans	-71.3	-40.8	-179.4	-63.6	166.6	0	0	0	111	R11 L12 I13	I9-R11 VanDerWaalsContact C-N 3.34Å; I9-R11 PolarHBondContact O-N 3.46Å; I9-L12 PolarHBondContact O-N 3.37Å; I9-I13 HydrophobicContact CG2-CD1 3.89Å; I9-I13 WeakPolarHBondContact O-CG1 3.23Å; I9-I13 PolarHBondContact O-N 3.19Å; I9-I13 VanDerWaalsContact O-N 3.13Å
10	G	39.5	Very low	40.4	Very low	45 Å²	45	132.2 Å²	132.2	46%	0.464	66%	0.662	S	S	.	*	H	α-helix	trans	-62	-36.7	178	0	0	0	0	0	113.9	W14	G10-W14 WeakPolarHBondContact O-CB 3.27Å; G10-W14 PolarHBondContact O-N 3.49Å
11	R	38.2	Very low	40.6	Very low	195 Å²	195	128.3 Å²	128.3	74%	0.736	65%	0.651	S	S	*	*	H	α-helix	trans	-70.9	-34.1	175.9	-75.1	-169.3	-173.7	-172	3.1	113	I9 A15	I9-R11 VanDerWaalsContact C-N 3.34Å; I9-R11 PolarHBondContact O-N 3.46Å; R11-A15 VanDerWaalsContact O-CB 3.24Å; R11-A15 WeakPolarHBondContact O-CB 3.17Å; R11-A15 PolarHBondContact O-N 3.17Å
12	L	43.8	Very low	41.1	Very low	123 Å²	123	122.1 Å²	122.1	64%	0.644	62%	0.622	S	S	*	*	H	α-helix	trans	-68.4	-43.2	178.1	-103.9	141.7	0	0	0	111.7	R8 I9 A15 Q16	R8-L12 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.37Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-Q16 WeakPolarHBondContact O-CB 3.36Å; L12-Q16 PolarHBondContact O-N 3.18Å
13	I	46.7	Very low	41.5	Very low	108 Å²	108	121.9 Å²	121.9	55%	0.554	61%	0.61	S	S	*	*	H	α-helix	trans	-64.3	-42.4	176.5	-63.4	169	0	0	0	110.7	I9 Q16 C17	I9-I13 HydrophobicContact CG2-CD1 3.89Å; I9-I13 WeakPolarHBondContact O-CG1 3.23Å; I9-I13 PolarHBondContact O-N 3.19Å; I9-I13 VanDerWaalsContact O-N 3.13Å; I13-Q16 PolarHBondContact O-N 3.44Å; I13-C17 PolarHBondContact O-N 3.25Å; I13-C17 PolarHBondContact O-SG 3.44Å
14	W	40.4	Very low	41.6	Very low	180 Å²	180	124.7 Å²	124.7	68%	0.682	61%	0.607	S	S	*	*	H	α-helix	trans	-69.2	-38.6	178.6	-160.8	74.5	0	0	0	112.8	G10 C17 R18	G10-W14 WeakPolarHBondContact O-CB 3.27Å; G10-W14 PolarHBondContact O-N 3.49Å; W14-C17 PolarHBondContact O-N 3.49Å; W14-R18 WeakPolarHBondContact O-CB 3.27Å; W14-R18 PolarHBondContact O-N 3.27Å
15	A	47.9	Very low	41.7	Very low	53 Å²	53	123.2 Å²	123.2	44%	0.438	60%	0.603	S	S	.	*	H	α-helix	trans	-64.6	-38.9	174.9	0	0	0	0	0	112.1	R11 L12 R18 K19	R11-A15 VanDerWaalsContact O-CB 3.24Å; R11-A15 WeakPolarHBondContact O-CB 3.17Å; R11-A15 PolarHBondContact O-N 3.17Å; L12-A15 PolarHBondContact O-N 3.45Å; A15-R18 PolarHBondContact O-N 2.8Å; A15-K19 PolarHBondContact O-N 2.95Å
16	Q	48.1	Very low	41.6	Very low	106 Å²	106	132 Å²	132	50%	0.495	62%	0.621	S	S	.	*	H	α-helix	trans	-69.6	-41.6	177.1	-165.5	64.2	15.2	0	0	111.7	L12 I13 R18 K19 N20	L12-Q16 WeakPolarHBondContact O-CB 3.36Å; L12-Q16 PolarHBondContact O-N 3.18Å; I13-Q16 PolarHBondContact O-N 3.44Å; Q16-R18 VanDerWaalsContact C-N 3.33Å; Q16-R18 PolarHBondContact O-N 3.29Å; Q16-K19 PolarHBondContact O-N 3.28Å; Q16-N20 PolarHBondContact O-N 3.38Å
17	C	44.5	Very low	41.3	Very low	76 Å²	76	126.9 Å²	126.9	51%	0.514	61%	0.612	S	S	.	*	H	α-helix	trans	-61.8	-40.3	173.6	-70.8	0	0	0	0	111.8	I13 W14 N20 A21	I13-C17 PolarHBondContact O-N 3.25Å; I13-C17 PolarHBondContact O-SG 3.44Å; W14-C17 PolarHBondContact O-N 3.49Å; C17-N20 PolarHBondContact O-N 3.42Å; C17-A21 WeakPolarHBondContact O-CB 3.37Å; C17-A21 PolarHBondContact O-N 3.45Å
18	R	45.7	Very low	40.9	Very low	155 Å²	155	124.7 Å²	124.7	59%	0.585	62%	0.617	S	S	*	*	H	α-helix	trans	-67.1	-38.7	177	-166.1	177.9	-179	-163.9	0.5	112.4	W14 A15 Q16 A21 L22	W14-R18 WeakPolarHBondContact O-CB 3.27Å; W14-R18 PolarHBondContact O-N 3.27Å; A15-R18 PolarHBondContact O-N 2.8Å; Q16-R18 VanDerWaalsContact C-N 3.33Å; Q16-R18 PolarHBondContact O-N 3.29Å; R18-A21 PolarHBondContact O-N 2.99Å; R18-L22 HydrophobicContact CG-CD1 4.19Å; R18-L22 WeakPolarHBondContact O-CB 3.45Å; R18-L22 PolarHBondContact O-N 3.39Å
19	K	44.6	Very low	40.5	Very low	142 Å²	142	120.5 Å²	120.5	62%	0.617	62%	0.616	S	S	*	*	H	α-helix	trans	-63	-43.9	173.2	-99.9	-175.7	175	-178.4	0	111.8	A15 Q16 L22 L23	A15-K19 PolarHBondContact O-N 2.95Å; Q16-K19 PolarHBondContact O-N 3.28Å; K19-L22 PolarHBondContact O-N 3.04Å; K19-L23 PolarHBondContact O-N 3.48Å
20	N	42.9	Very low	39.5	Very low	83 Å²	83	126.7 Å²	126.7	44%	0.444	63%	0.633	S	S	.	*	H	α-helix	trans	-66.8	-39.2	178.4	-72.1	-6.7	0	0	0	112	Q16 C17 L23 L24	Q16-N20 PolarHBondContact O-N 3.38Å; C17-N20 PolarHBondContact O-N 3.42Å; N20-L23 PolarHBondContact O-N 3.29Å; N20-L24 WeakPolarHBondContact O-CG 3.24Å; N20-L24 PolarHBondContact O-N 3.38Å
21	A	43.2	Very low	39	Very low	52 Å²	52	134.9 Å²	134.9	43%	0.43	66%	0.656	S	S	.	*	H	α-helix	trans	-67	-37.1	175.3	0	0	0	0	0	112.9	C17 R18 L24 H25	C17-A21 WeakPolarHBondContact O-CB 3.37Å; C17-A21 PolarHBondContact O-N 3.45Å; R18-A21 PolarHBondContact O-N 2.99Å; A21-L24 PolarHBondContact O-N 2.8Å; A21-H25 PolarHBondContact O-N 2.95Å
22	L	39.1	Very low	38.4	Very low	114 Å²	114	133.8 Å²	133.8	60%	0.597	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-33.5	175.5	-90.1	157.9	0	0	0	112.9	R18 K19 H25	R18-L22 HydrophobicContact CG-CD1 4.19Å; R18-L22 WeakPolarHBondContact O-CB 3.45Å; R18-L22 PolarHBondContact O-N 3.39Å; K19-L22 PolarHBondContact O-N 3.04Å; L22-H25 PolarHBondContact O-N 3.29Å
23	L	39.3	Very low	37.5	Very low	127 Å²	127	132.8 Å²	132.8	67%	0.665	66%	0.663	S	S	*	*	H	α-helix	trans	-69.2	-36.6	175.3	-82	161.4	0	0	0	112	K19 N20 H25	K19-L23 PolarHBondContact O-N 3.48Å; N20-L23 PolarHBondContact O-N 3.29Å; L23-H25 VanDerWaalsContact C-N 3.33Å; L23-H25 PolarHBondContact O-N 3.31Å
24	L	37.2	Very low	36.5	Very low	130 Å²	130	133.5 Å²	133.5	68%	0.681	67%	0.673	S	S	*	*	H	α-helix	trans	-68.4	-31.5	176.3	-74.4	161.6	0	0	0	112.5	N20 A21 R26 T27	N20-L24 WeakPolarHBondContact O-CG 3.24Å; N20-L24 PolarHBondContact O-N 3.38Å; A21-L24 PolarHBondContact O-N 2.8Å; L24-R26 VanDerWaalsContact C-N 3.27Å; L24-R26 PolarHBondContact O-N 2.81Å; L24-T27 PolarHBondContact O-OG1 3.2Å
25	H	35.4	Very low	35.8	Very low	168 Å²	168	131.8 Å²	131.8	78%	0.778	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-2.6	-177.6	-108.7	-60.8	0	0	0	115.7	A21 L22 L23 T27	A21-H25 PolarHBondContact O-N 2.95Å; L22-H25 PolarHBondContact O-N 3.29Å; L23-H25 VanDerWaalsContact C-N 3.33Å; L23-H25 PolarHBondContact O-N 3.31Å; H25-T27 VanDerWaalsContact C-N 3.27Å; H25-T27 PolarHBondContact O-N 2.87Å
26	R	32.7	Very low	34.9	Very low	232 Å²	232	136.7 Å²	136.7	88%	0.875	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	3.8	175.5	-102.3	-174.7	177.2	-173.7	-1.1	114.5	L24	L24-R26 VanDerWaalsContact C-N 3.27Å; L24-R26 PolarHBondContact O-N 2.81Å
27	T	34.9	Very low	33.7	Very low	105 Å²	105	138.5 Å²	138.5	64%	0.644	71%	0.711	S	S	*	*	S	Bend	trans	-112.7	105.7	179.5	54.7	0	0	0	0	112.2	L24 H25	L24-T27 PolarHBondContact O-OG1 3.2Å; H25-T27 VanDerWaalsContact C-N 3.27Å; H25-T27 PolarHBondContact O-N 2.87Å
28	S	31	Very low	32.7	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	73%	0.728	S	S	*	*			trans	78.6	149.4	159.9	78.6	0	0	0	0	120.5
29	P	31.4	Very low	31.8	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	74%	0.742	S	S	*	*			trans	-110.9	172.7	-159.8	39.9	-26.9	0	0	0	114.4
30	R	23.4	Very low	30.9	Very low	233 Å²	233	145.2 Å²	145.2	88%	0.879	75%	0.752	S	S	*	*			trans	77.8	96.7	168.8	-62.4	-178.2	174.4	171.8	-1.4	116.3
31	F	29.3	Very low	29.9	Very low	217 Å²	217	147.8 Å²	147.8	95%	0.952	77%	0.765	S	S	*	*				-140.8	119	126.7	-127	-92.2	0	0	0	109.4
32	Q	24.7	Very low	29.1	Very low	173 Å²	173	151 Å²	151	81%	0.808	78%	0.782	S	S	*	*			trans	-75.6	145.7	-179.3	-89.9	176.4	-33.9	0	0	111
33	S	25.2	Very low	28.4	Very low	101 Å²	101	151 Å²	151	71%	0.706	79%	0.786	S	S	*	*			trans	76.6	113	132	79.3	0	0	0	0	120.1
34	T	24.5	Very low	27.8	Very low	124 Å²	124	156.1 Å²	156.1	76%	0.761	80%	0.797	S	S	*	*				103.3	131.3	127.3	-28.5	0	0	0	0	118
35	I	27.5	Very low	27.2	Very low	143 Å²	143	156.3 Å²	156.3	73%	0.733	80%	0.798	S	S	*	*			trans	92	82.9	159.5	-43.9	178	0	0	0	115.6
36	L	28.1	Very low	26.7	Very low	156 Å²	156	156.5 Å²	156.5	82%	0.817	80%	0.804	S	S	*	*				163.7	80.6	107.9	-104	146.7	0	0	0	111.1
37	T	22.6	Very low	26.4	Very low	144 Å²	144	153.7 Å²	153.7	88%	0.883	80%	0.8	S	S	*	*			trans	-88.2	100.6	158.1	-41.6	0	0	0	0	107.4
38	R	23.5	Very low	25.9	Very low	226 Å²	226	154.6 Å²	154.6	85%	0.853	81%	0.806	S	S	*	*			trans	-177.7	101.5	152.2	-107.7	174	-175.2	-169	1.8	110.4
39	C	27.3	Very low	25.6	Very low	131 Å²	131	155.5 Å²	155.5	89%	0.885	81%	0.807	S	S	*	*			trans	163.9	83.9	130.3	-88.6	0	0	0	0	108.6
40	L	24.6	Very low	25.2	Very low	158 Å²	158	155.4 Å²	155.4	83%	0.827	81%	0.809	S	S	*	*			trans	-62.6	133.3	159	-76.1	156.3	0	0	0	109.2
41	L	23.6	Very low	25.4	Very low	136 Å²	136	152.4 Å²	152.4	71%	0.712	81%	0.809	S	S	*	*			trans	60.5	142.7	143.7	-71.8	162.6	0	0	0	118.1	V43	L41-V43 HydrophobicContact CD2-CG2 3.85Å
42	P	26	Very low	25.1	Very low	121 Å²	121	146.6 Å²	146.6	79%	0.786	80%	0.795	S	S	*	*				-137	144.5	51.6	32.3	-11.5	0	0	0	116.8	R44	P42-R44 PolarHBondContact O-N 3.41Å
43	V	24.5	Very low	25	Very low	114 Å²	114	144.1 Å²	144.1	69%	0.691	80%	0.796	S	S	*	*			trans	-61.3	119.7	159.2	174.2	0	0	0	0	108.3	L41	L41-V43 HydrophobicContact CD2-CG2 3.85Å
44	R	26.2	Very low	25	Very low	234 Å²	234	148.2 Å²	148.2	88%	0.883	80%	0.804	S	S	*	*			trans	-117.1	113	167.4	-137.4	175.1	178.2	170.2	-1.4	108.7	P42	P42-R44 PolarHBondContact O-N 3.41Å
45	N	24.4	Very low	24.9	Very low	134 Å²	134	151.4 Å²	151.4	72%	0.717	81%	0.81	S	S	*	*			trans	-56.2	128.9	-179.5	-71.6	-36.4	0	0	0	111.4	H47	N45-H47 PolarHBondContact O-N 2.9Å
46	L	25.5	Very low	24.8	Very low	172 Å²	172	152 Å²	152	90%	0.901	82%	0.815	S	S	*	*			trans	-76.4	101.4	167	-77.9	100.4	0	0	0	108.7
47	H	26.1	Very low	24.6	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.796	82%	0.817	S	S	*	*			trans	-100.8	132.7	155.7	-87.1	-67	0	0	0	110.3	N45	N45-H47 PolarHBondContact O-N 2.9Å
48	T	23.6	Very low	25	Very low	124 Å²	124	152.8 Å²	152.8	76%	0.761	81%	0.812	S	S	*	*			trans	-56.2	129.7	169.2	49	0	0	0	0	111.6
49	T	25.3	Very low	25.1	Very low	138 Å²	138	151.1 Å²	151.1	85%	0.847	81%	0.813	S	S	*	*			trans	-166.3	129.9	135.1	12.3	0	0	0	0	109.5
50	S	23	Very low	24.8	Very low	112 Å²	112	153.7 Å²	153.7	78%	0.783	81%	0.809	S	S	*	*			trans	-52.9	130.7	168.2	46.9	0	0	0	0	112
51	L	27.9	Very low	25	Very low	170 Å²	170	154 Å²	154	89%	0.89	81%	0.812	S	S	*	*			trans	-138.6	126.9	150.3	-100.4	160.7	0	0	0	109.4
52	S	22.5	Very low	25	Very low	95 Å²	95	155.2 Å²	155.2	66%	0.664	81%	0.814	S	S	*	*			trans	-56.9	154.8	177.6	46.6	0	0	0	0	115.1
53	C	22.5	Very low	24.9	Very low	121 Å²	121	156.5 Å²	156.5	82%	0.818	81%	0.814	S	S	*	*			trans	55.7	105.7	147.7	-71.7	0	0	0	0	118.7
54	Q	25.5	Very low	25.3	Very low	188 Å²	188	159 Å²	159	88%	0.879	82%	0.824	S	S	*	*				-148.5	114.3	118.3	-112.8	170.7	0.6	0	0	110.3	N56	Q54-N56 PolarHBondContact O-N 3.33Å
55	Q	23.3	Very low	25.4	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	82%	0.818	S	S	*	*			trans	-65.5	116.4	161.8	-73.6	166.5	-37.3	0	0	107.6
56	N	25.4	Very low	25.6	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	82%	0.822	S	S	*	*			trans	-119.5	112	151.7	-90	-13.6	0	0	0	107.8	Q54	Q54-N56 PolarHBondContact O-N 3.33Å
57	K	22.9	Very low	26	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.4	157.1	167.9	-101.8	179	176.8	176.6	0	109.5
58	P	30.5	Very low	26.4	Very low	117 Å²	117	156.6 Å²	156.6	76%	0.76	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-89.5	137.6	-151.6	34.2	-32.6	0	0	0	112.5
59	E	25.7	Very low	26.9	Very low	190 Å²	190	154.3 Å²	154.3	89%	0.888	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76	133.6	162.7	-80	179.9	156.7	0	0	109.9
60	K	21.4	Very low	27.7	Very low	185 Å²	185	154.6 Å²	154.6	80%	0.804	82%	0.816	S	S	*	*			trans	-79	113.1	174.2	-72.5	176.7	172.7	-177.4	0	108.1
61	D	28.9	Very low	28.9	Very low	164 Å²	164	154.4 Å²	154.4	88%	0.877	81%	0.806	S	S	*	*			trans	-101.9	101.3	155.8	-81.1	-32.4	0	0	0	108.7
62	E	23.2	Very low	30.4	Very low	162 Å²	162	151.7 Å²	151.7	76%	0.757	79%	0.787	S	S	*	*			trans	-74.8	124.7	159.4	-76.9	178.2	167.4	0	0	108.7
63	N	25	Very low	31.9	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	77%	0.769	S	S	*	*			trans	128.3	92.2	156.1	-69.1	-36.6	0	0	0	112.1
64	D	32.4	Very low	33.7	Very low	167 Å²	167	147 Å²	147	89%	0.893	75%	0.75	S	S	*	*				-153	122.8	122.2	-130.2	-11	0	0	0	110.9
65	K	28.1	Very low	35.6	Very low	176 Å²	176	139.9 Å²	139.9	77%	0.765	72%	0.718	S	S	*	*			trans	-81.6	140.2	179.3	-77.6	176.6	174.3	174.4	0	109.8
66	D	29.3	Very low	37.8	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	70%	0.695	S	S	*	*			trans	57.6	87.5	148.1	-53.1	-31.1	0	0	0	118.8
67	K	32.9	Very low	39.9	Very low	200 Å²	200	134.4 Å²	134.4	87%	0.87	68%	0.682	S	S	*	*			trans	-123.3	136.8	145.4	-76.7	179.3	-177.8	166	0	109.3	G69	K67-G69 PolarHBondContact O-N 3.27Å
68	P	34.9	Very low	42.2	Very low	137 Å²	137	126.8 Å²	126.8	89%	0.89	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-65.2	128.7	-165.4	26	-33.2	0	0	0	111.2
69	G	35.3	Very low	44.2	Very low	76 Å²	76	124.4 Å²	124.4	78%	0.784	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-69	131.2	177.9	0	0	0	0	0	111.4	K67 D71	K67-G69 PolarHBondContact O-N 3.27Å; G69-D71 PolarHBondContact O-N 2.93Å
70	F	42.3	Very low	46.6	Very low	145 Å²	145	120.9 Å²	120.9	64%	0.636	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-71.1	119.6	171.9	-171.9	-96.2	0	0	0	109.3	D74	F70-D74 HydrophobicContact CZ-CB 4.36Å
71	D	47.4	Very low	49.2	Very low	108 Å²	108	120 Å²	120	58%	0.578	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-87.5	134.4	-171.2	-145.3	-4.3	0	0	0	111.1	G69 S73 D74	G69-D71 PolarHBondContact O-N 2.93Å; D71-S73 PolarHBondContact O-N 2.93Å; D71-S73 VanDerWaalsContact O-N 3.09Å; D71-D74 PolarHBondContact O-N 3.31Å
72	F	58.2	Low	51.1	Low	112 Å²	112	113.3 Å²	113.3	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-62.4	-22.3	-173.7	-169.2	-105.9	0	0	0	112.8	D74 L75 I76	F72-D74 PolarHBondContact O-N 2.98Å; F72-L75 HydrophobicContact CE2-CD2 4.3Å; F72-L75 PolarHBondContact O-N 3.29Å; F72-I76 HydrophobicContact CD1-CD1 3.68Å; F72-I76 HydrophobicContact CD1-CG1 4.32Å; F72-I76 HydrophobicContact CE1-CD1 3.58Å; F72-I76 HydrophobicContact CE1-CG1 4.13Å; F72-I76 PolarHBondContact O-N 3.5Å
73	S	55.2	Low	53.7	Low	42 Å²	42	111 Å²	111	29%	0.294	58%	0.576	S	S	.	*	H	α-helix	trans	-60	-32.7	174	62.5	0	0	0	0	112.6	D71 R77	D71-S73 PolarHBondContact O-N 2.93Å; D71-S73 VanDerWaalsContact O-N 3.09Å; S73-R77 WeakPolarHBondContact O-CB 3.44Å; S73-R77 WeakPolarHBondContact O-CD 3.46Å; S73-R77 WeakPolarHBondContact O-CG 3.39Å; S73-R77 PolarHBondContact O-N 2.91Å
74	D	60.8	Low	56	Low	76 Å²	76	105.8 Å²	105.8	41%	0.406	56%	0.558	S	S	.	*	H	α-helix	trans	-73.4	-31.5	179.3	-71.7	-23.6	0	0	0	112.3	F70 D71 F72 R77 A78	F70-D74 HydrophobicContact CZ-CB 4.36Å; D71-D74 PolarHBondContact O-N 3.31Å; F72-D74 PolarHBondContact O-N 2.98Å; D74-R77 IonicContact OD1-NH1 3.98Å; D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.26Å; D74-A78 PolarHBondContact O-N 3.37Å
75	L	65.5	Low	58	Low	39 Å²	39	102.1 Å²	102.1	20%	0.204	54%	0.538	C	S	.	.	H	α-helix	trans	-70.4	-42.3	177.3	-173.2	68.3	0	0	0	111.8	F72 A78 T79 T212	F72-L75 HydrophobicContact CE2-CD2 4.3Å; F72-L75 PolarHBondContact O-N 3.29Å; L75-A78 PolarHBondContact O-N 3.02Å; L75-T79 PolarHBondContact O-N 2.99Å; L75-T79 PolarHBondContact O-OG1 2.99Å; L75-T212 HydrophobicContact CD1-CG2 4.17Å
76	I	69.3	Low	59.9	Low	80 Å²	80	94.6 Å²	94.6	41%	0.41	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-43.8	176.5	-67	168.7	0	0	0	110.3	F72 T79 L80	F72-I76 HydrophobicContact CD1-CD1 3.68Å; F72-I76 HydrophobicContact CD1-CG1 4.32Å; F72-I76 HydrophobicContact CE1-CD1 3.58Å; F72-I76 HydrophobicContact CE1-CG1 4.13Å; F72-I76 PolarHBondContact O-N 3.5Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-N 3.45Å; I76-T79 PolarHBondContact O-OG1 3.43Å; I76-T79 VanDerWaalsContact O-OG1 3.07Å; I76-L80 HydrophobicContact CG2-CD1 3.82Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CB 3.42Å; I76-L80 WeakPolarHBondContact O-CG 3.32Å; I76-L80 PolarHBondContact O-N 3.38Å
77	R	69.3	Low	61.8	Low	150 Å²	150	89.5 Å²	89.5	57%	0.566	49%	0.487	S	S	*	.	H	α-helix	trans	-59.8	-48.8	175.4	-74	170	-178.6	175.4	-0.7	110.9	S73 D74 T79 L80 Y81	S73-R77 WeakPolarHBondContact O-CB 3.44Å; S73-R77 WeakPolarHBondContact O-CD 3.46Å; S73-R77 WeakPolarHBondContact O-CG 3.39Å; S73-R77 PolarHBondContact O-N 2.91Å; D74-R77 IonicContact OD1-NH1 3.98Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 3.4Å; R77-L80 PolarHBondContact O-N 3.05Å; R77-Y81 HydrophobicContact CB-CD2 4.34Å; R77-Y81 HydrophobicContact CB-CE2 4.17Å; R77-Y81 WeakPolarHBondContact O-CB 3.38Å; R77-Y81 WeakPolarHBondContact O-CD2 3.4Å; R77-Y81 PolarHBondContact O-N 2.87Å
78	A	71.4	Confident	63.7	Low	40 Å²	40	86.3 Å²	86.3	33%	0.331	47%	0.473	S	S	.	.	H	α-helix	trans	-60	-41.6	178.5	0	0	0	0	0	112.7	D74 L75 T82	D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.26Å; D74-A78 PolarHBondContact O-N 3.37Å; L75-A78 PolarHBondContact O-N 3.02Å; A78-T82 WeakPolarHBondContact O-CG2 3.19Å; A78-T82 PolarHBondContact O-N 3.09Å; A78-T82 PolarHBondContact O-OG1 3.11Å
79	T	71.3	Confident	65.2	Low	68 Å²	68	84.1 Å²	84.1	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-42.6	178.1	32.8	0	0	0	0	112.3	L75 I76 R77 T82 I83	L75-T79 PolarHBondContact O-N 2.99Å; L75-T79 PolarHBondContact O-OG1 2.99Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-N 3.45Å; I76-T79 PolarHBondContact O-OG1 3.43Å; I76-T79 VanDerWaalsContact O-OG1 3.07Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 3.4Å; T79-T82 WeakPolarHBondContact CA-OG1 3.23Å; T79-T82 PolarHBondContact O-N 2.97Å; T79-T82 PolarHBondContact O-OG1 2.92Å; T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.48Å
80	L	76.7	Confident	66.6	Low	116 Å²	116	84 Å²	84	61%	0.607	44%	0.44	S	S	*	.	H	α-helix	trans	-62.6	-43.7	174.3	-75.8	166.9	0	0	0	112.2	I76 R77 T82 I83 G84	I76-L80 HydrophobicContact CG2-CD1 3.82Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CB 3.42Å; I76-L80 WeakPolarHBondContact O-CG 3.32Å; I76-L80 PolarHBondContact O-N 3.38Å; R77-L80 PolarHBondContact O-N 3.05Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.93Å; L80-I83 PolarHBondContact O-N 3.24Å; L80-G84 PolarHBondContact O-N 2.94Å
81	Y	76.1	Confident	67.6	Low	165 Å²	165	83.7 Å²	83.7	65%	0.647	45%	0.445	S	S	*	.	H	α-helix	trans	-60.6	-39.2	174.3	-76.1	-59.8	0	0	0	111.6	R77 G84 I85	R77-Y81 HydrophobicContact CB-CD2 4.34Å; R77-Y81 HydrophobicContact CB-CE2 4.17Å; R77-Y81 WeakPolarHBondContact O-CB 3.38Å; R77-Y81 WeakPolarHBondContact O-CD2 3.4Å; R77-Y81 PolarHBondContact O-N 2.87Å; Y81-G84 PolarHBondContact O-N 2.87Å; Y81-I85 WeakPolarHBondContact O-CD1 3.33Å; Y81-I85 VanDerWaalsContact O-CG1 3.23Å; Y81-I85 WeakPolarHBondContact O-CG1 3.38Å; Y81-I85 PolarHBondContact O-N 2.97Å
82	T	69.5	Low	68.1	Low	25 Å²	25	86.5 Å²	86.5	15%	0.153	45%	0.452	C	S	.	.	H	α-helix	trans	-69.5	-40.1	178.7	55.6	0	0	0	0	113.7	A78 T79 L80 G84 I85 A86 M208	A78-T82 WeakPolarHBondContact O-CG2 3.19Å; A78-T82 PolarHBondContact O-N 3.09Å; A78-T82 PolarHBondContact O-OG1 3.11Å; T79-T82 WeakPolarHBondContact CA-OG1 3.23Å; T79-T82 PolarHBondContact O-N 2.97Å; T79-T82 PolarHBondContact O-OG1 2.92Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.93Å; T82-G84 VanDerWaalsContact C-N 3.33Å; T82-I85 PolarHBondContact O-N 3.36Å; T82-A86 PolarHBondContact O-N 3.45Å; T82-M208 HydrophobicContact CG2-CE 3.58Å
83	I	76	Confident	67.5	Low	112 Å²	112	85.4 Å²	85.4	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-41.7	174.6	-66.1	167.8	0	0	0	109.4	T79 L80 I85 A86 A87	T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.48Å; L80-I83 PolarHBondContact O-N 3.24Å; I83-I85 PolarHBondContact O-N 3.41Å; I83-A86 PolarHBondContact O-N 3.38Å; I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 2.87Å
84	G	73.3	Confident	66.7	Low	40 Å²	40	86.3 Å²	86.3	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-44.4	175	0	0	0	0	0	112.8	L80 Y81 T82 A87 F88	L80-G84 PolarHBondContact O-N 2.94Å; Y81-G84 PolarHBondContact O-N 2.87Å; T82-G84 VanDerWaalsContact C-N 3.33Å; G84-A87 PolarHBondContact O-N 3.48Å; G84-F88 VanDerWaalsContact O-CB 3.26Å; G84-F88 WeakPolarHBondContact O-CB 3.29Å; G84-F88 PolarHBondContact O-N 3.37Å
85	I	76	Confident	65.9	Low	90 Å²	90	86.8 Å²	86.8	46%	0.462	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-40.7	176.5	-67.8	162.5	0	0	0	111.4	Y81 T82 I83 F88 L89	Y81-I85 WeakPolarHBondContact O-CD1 3.33Å; Y81-I85 VanDerWaalsContact O-CG1 3.23Å; Y81-I85 WeakPolarHBondContact O-CG1 3.38Å; Y81-I85 PolarHBondContact O-N 2.97Å; T82-I85 PolarHBondContact O-N 3.36Å; I83-I85 PolarHBondContact O-N 3.41Å; I85-F88 PolarHBondContact O-N 2.91Å; I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.31Å; I85-L89 WeakPolarHBondContact O-CG 3.13Å; I85-L89 PolarHBondContact O-N 3.42Å
86	A	66.6	Low	64.7	Low	17 Å²	17	95.3 Å²	95.3	14%	0.14	51%	0.513	C	S	.	.	H	α-helix	trans	-62.1	-46.2	174.8	0	0	0	0	0	112	T82 I83 F88 L89 S90 M201 F205	T82-A86 PolarHBondContact O-N 3.45Å; I83-A86 PolarHBondContact O-N 3.38Å; A86-F88 VanDerWaalsContact C-N 3.35Å; A86-L89 PolarHBondContact O-N 3.33Å; A86-S90 WeakPolarHBondContact O-CB 3.39Å; A86-S90 PolarHBondContact O-N 2.9Å; A86-S90 PolarHBondContact O-OG 3.29Å; A86-M201 HydrophobicContact CB-CE 3.79Å; A86-F205 HydrophobicContact CB-CE1 4.33Å; A86-F205 HydrophobicContact CB-CE2 3.85Å; A86-F205 HydrophobicContact CB-CZ 3.34Å
87	A	70.1	Confident	63.6	Low	42 Å²	42	102.2 Å²	102.2	35%	0.347	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-45.2	177	0	0	0	0	0	110.5	I83 G84 S90 L91	I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 2.87Å; G84-A87 PolarHBondContact O-N 3.48Å; A87-S90 WeakPolarHBondContact CA-OG 3.47Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-OG 2.94Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.17Å
88	F	72.3	Confident	62.5	Low	132 Å²	132	99.4 Å²	99.4	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-62.2	-44.7	177	-172.3	-98.1	0	0	0	112.6	G84 I85 A86 S90 L91 F92	G84-F88 VanDerWaalsContact O-CB 3.26Å; G84-F88 WeakPolarHBondContact O-CB 3.29Å; G84-F88 PolarHBondContact O-N 3.37Å; I85-F88 PolarHBondContact O-N 2.91Å; A86-F88 VanDerWaalsContact C-N 3.35Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 2.99Å; F88-L91 PolarHBondContact O-N 3.42Å; F88-F92 HydrophobicContact CZ-CD2 4.47Å; F88-F92 WeakPolarHBondContact O-CB 3.46Å; F88-F92 PolarHBondContact O-N 2.92Å
89	L	66.6	Low	61.3	Low	92 Å²	92	104.8 Å²	104.8	48%	0.482	55%	0.55	S	S	.	.	H	α-helix	trans	-65.3	-35.9	175.4	-76.6	168.6	0	0	0	112.3	I85 A86 F92 S93	I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.31Å; I85-L89 WeakPolarHBondContact O-CG 3.13Å; I85-L89 PolarHBondContact O-N 3.42Å; A86-L89 PolarHBondContact O-N 3.33Å; L89-F92 PolarHBondContact O-N 2.98Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.19Å
90	S	63.9	Low	60.5	Low	72 Å²	72	107.9 Å²	107.9	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-32.4	175.1	69.4	0	0	0	0	112.8	A86 A87 F88	A86-S90 WeakPolarHBondContact O-CB 3.39Å; A86-S90 PolarHBondContact O-N 2.9Å; A86-S90 PolarHBondContact O-OG 3.29Å; A87-S90 WeakPolarHBondContact CA-OG 3.47Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-S90 PolarHBondContact O-OG 2.94Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 2.99Å
91	L	63.5	Low	60.2	Low	140 Å²	140	106.8 Å²	106.8	73%	0.733	55%	0.551	S	S	*	*	H	α-helix	trans	-72.3	-34.4	172.8	-75.2	163.2	0	0	0	111.8	A87 F88	A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.17Å; F88-L91 PolarHBondContact O-N 3.42Å
92	F	58.1	Low	60.4	Low	167 Å²	167	103.5 Å²	103.5	73%	0.732	54%	0.544	S	S	*	.	H	α-helix	trans	-79.6	-31.8	179.8	-145.4	-92.9	0	0	0	113	F88 L89 G94	F88-F92 HydrophobicContact CZ-CD2 4.47Å; F88-F92 WeakPolarHBondContact O-CB 3.46Å; F88-F92 PolarHBondContact O-N 2.92Å; L89-F92 PolarHBondContact O-N 2.98Å; F92-G94 PolarHBondContact O-N 3.43Å
93	S	46.8	Very low	61.1	Low	88 Å²	88	103 Å²	103	62%	0.615	54%	0.541	S	S	*	.	S	Bend	trans	-78	67.2	171.2	-162.8	0	0	0	0	109	L89 S95	L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.19Å; S93-S95 VanDerWaalsContact C-N 3.35Å; S93-S95 PolarHBondContact O-N 3Å
94	G	38.5	Very low	61.6	Low	62 Å²	62	102.1 Å²	102.1	64%	0.639	54%	0.542	S	S	*	.			trans	-55.9	86.9	-170.7	0	0	0	0	0	113.7	F92 R96	F92-G94 PolarHBondContact O-N 3.43Å; G94-R96 PolarHBondContact O-N 2.98Å; G94-R96 VanDerWaalsContact O-N 3.07Å
95	S	42.6	Very low	62	Low	85 Å²	85	101.6 Å²	101.6	59%	0.594	53%	0.528	S	S	*	.			trans	-73.4	85.1	150.7	58.9	0	0	0	0	106.2	S93 Y97	S93-S95 VanDerWaalsContact C-N 3.35Å; S93-S95 PolarHBondContact O-N 3Å; S95-Y97 PolarHBondContact O-N 3.42Å; S95-Y97 VanDerWaalsContact O-N 3.09Å
96	R	41.3	Very low	62.4	Low	219 Å²	219	102.6 Å²	102.6	83%	0.826	54%	0.535	S	S	*	.			trans	-55.1	120.2	162.5	-74	-176.6	-160	169	6.1	106	G94 D98	G94-R96 PolarHBondContact O-N 2.98Å; G94-R96 VanDerWaalsContact O-N 3.07Å; R96-D98 PolarHBondContact O-N 3.23Å
97	Y	44.8	Very low	63.2	Low	224 Å²	224	104.5 Å²	104.5	88%	0.878	54%	0.54	S	S	*	.			trans	-68.4	82.2	170.2	-74	-91.6	0	0	0	106.9	S95 E99	S95-Y97 PolarHBondContact O-N 3.42Å; S95-Y97 VanDerWaalsContact O-N 3.09Å; Y97-E99 PolarHBondContact O-N 3.07Å
98	D	48.2	Very low	63.9	Low	91 Å²	91	102.5 Å²	102.5	49%	0.487	52%	0.523	S	S	.	.			trans	-67.4	125.1	169.9	-79.2	-22.9	0	0	0	107.4	R96 L100	R96-D98 PolarHBondContact O-N 3.23Å; D98-L100 PolarHBondContact O-N 3.27Å
99	E	46.2	Very low	64.4	Low	153 Å²	153	96.9 Å²	96.9	72%	0.715	50%	0.499	S	S	*	.			trans	-52.9	112.9	172.5	-77.5	-176.8	162.5	0	0	109.1	Y97 R101	Y97-E99 PolarHBondContact O-N 3.07Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.36Å; E99-R101 IonicContact OE2-NH2 3.28Å
100	L	54.1	Low	65	Low	134 Å²	134	98.3 Å²	98.3	70%	0.702	50%	0.503	S	S	*	.			trans	-66.3	85	179.8	-78.7	152.9	0	0	0	110.6	D98 L102	D98-L100 PolarHBondContact O-N 3.27Å; L100-L102 PolarHBondContact O-N 2.91Å; L100-L102 VanDerWaalsContact O-N 3.15Å
101	R	70.3	Confident	65.7	Low	92 Å²	92	97.8 Å²	97.8	35%	0.347	49%	0.492	S	S	.	.			trans	-80	91.1	169.2	-71.5	-173.9	-178.4	177.4	-1.5	109.8	E99 T154 F157 H158	E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.36Å; E99-R101 IonicContact OE2-NH2 3.28Å; R101-T154 PolarHBondContact NH1-OG1 3.12Å; R101-F157 HydrophobicContact CB-CD1 4.09Å; R101-F157 HydrophobicContact CB-CE1 4.47Å; R101-H158 PolarHBondContact O-N 2.92Å
102	L	80.3	Confident	66.5	Low	96 Å²	96	91.1 Å²	91.1	50%	0.503	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.1	177.1	-171.4	72.2	0	0	0	110.9	L100 H158	L100-L102 PolarHBondContact O-N 2.91Å; L100-L102 VanDerWaalsContact O-N 3.15Å; L102-H158 CarbonylContact C-O 3.58Å; L102-H158 WeakPolarHBondContact CA-O 3.4Å; L102-H158 HydrophobicContact CD1-CB 4.36Å
103	V	82.8	Confident	67.5	Low	16 Å²	16	83.2 Å²	83.2	10%	0.097	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.1	-176	179.8	0	0	0	0	109.8	F107 M112 F157 H158 T159	V103-F107 HydrophobicContact CG1-CB 3.94Å; V103-F107 HydrophobicContact CG1-CD1 3.09Å; V103-F107 HydrophobicContact CG1-CE1 3.86Å; V103-F107 HydrophobicContact CG1-CG 3.83Å; V103-M112 HydrophobicContact CG1-SD 4Å; V103-F157 HydrophobicContact CG2-CB 4.33Å; V103-F157 HydrophobicContact CG2-CD1 3.65Å; V103-F157 HydrophobicContact CG2-CE1 4.41Å; V103-F157 HydrophobicContact CG2-CG 4.37Å; V103-H158 PolarHBondContact N-O 3.26Å; V103-T159 WeakPolarHBondContact O-CA 3.46Å; V103-T159 WeakPolarHBondContact O-CB 3.33Å; V103-T159 PolarHBondContact O-OG1 2.85Å
104	P	86.7	Confident	68.7	Low	92 Å²	92	79.6 Å²	79.6	60%	0.597	40%	0.398	S	S	*	.			trans	-58.4	143.2	177.9	-22.5	32.5	0	0	0	112.7	N106 F107 F108	P104-N106 PolarHBondContact O-N 3.35Å; P104-F107 HydrophobicContact CB-CB 4.1Å; P104-F107 HydrophobicContact CG-CB 4.37Å; P104-F107 VanDerWaalsContact O-CB 3.29Å; P104-F107 WeakPolarHBondContact O-CB 3.45Å; P104-F107 PolarHBondContact O-N 3.39Å; P104-F108 PolarHBondContact O-N 2.96Å
105	W	82.9	Confident	70.1	Confident	30 Å²	30	79.7 Å²	79.7	11%	0.114	38%	0.381	C	S	.	.	H	α-helix	trans	-54	-47.9	-179	178.5	-109	0	0	0	113.5	F107 F108 L109 T159 V161 P162 I171	W105-F107 PolarHBondContact O-N 2.71Å; W105-F108 AromaticContact CE3-CD1 3.97Å; W105-F108 HydrophobicContact CE3-CD1 3.97Å; W105-F108 HydrophobicContact CH2-CD1 4.27Å; W105-F108 HydrophobicContact CH2-CE1 4.12Å; W105-F108 AromaticContact CZ3-CD1 3.74Å; W105-F108 HydrophobicContact CZ3-CD1 3.74Å; W105-F108 AromaticContact CZ3-CE1 3.88Å; W105-F108 HydrophobicContact CZ3-CE1 3.88Å; W105-F108 WeakPolarHBondContact O-CB 3.2Å; W105-F108 PolarHBondContact O-N 2.99Å; W105-F108 VanDerWaalsContact O-N 3.14Å; W105-L109 HydrophobicContact CD2-CG 4.49Å; W105-L109 HydrophobicContact CH2-CD2 4.27Å; W105-L109 HydrophobicContact CZ2-CD1 4.08Å; W105-L109 HydrophobicContact CZ2-CD2 3.89Å; W105-L109 HydrophobicContact CZ2-CG 4.2Å; W105-L109 VanDerWaalsContact NE1-CD1 3.33Å; W105-L109 PolarHBondContact O-N 3.4Å; W105-T159 WeakPolarHBondContact CA-OG1 3.47Å; W105-T159 HydrophobicContact CE3-CG2 3.81Å; W105-T159 HydrophobicContact CZ3-CG2 3.96Å; W105-V161 HydrophobicContact CE3-CG2 3.9Å; W105-V161 HydrophobicContact CH2-CG2 4.27Å; W105-V161 HydrophobicContact CZ3-CG2 3.59Å; W105-P162 HydrophobicContact CG-CG 4.3Å; W105-I171 HydrophobicContact CH2-CD1 4.3Å; W105-I171 HydrophobicContact CH2-CG1 4Å
106	N	83.2	Confident	71	Confident	111 Å²	111	77.5 Å²	77.5	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-64.6	-30.9	179.1	-64.7	-2.7	0	0	0	112.5	P104 H110	P104-N106 PolarHBondContact O-N 3.35Å; N106-H110 PolarHBondContact O-CD2 3.07Å; N106-H110 VanDerWaalsContact O-CD2 3.32Å; N106-H110 PolarHBondContact O-N 3.36Å; N106-H110 VanDerWaalsContact O-N 3.1Å
107	F	83.5	Confident	71.9	Confident	56 Å²	56	74.2 Å²	74.2	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-68.8	-41.5	175.8	-176.8	-87.5	0	0	0	111	V103 P104 W105 E111 M112 I147 H148	V103-F107 HydrophobicContact CG1-CB 3.94Å; V103-F107 HydrophobicContact CG1-CD1 3.09Å; V103-F107 HydrophobicContact CG1-CE1 3.86Å; V103-F107 HydrophobicContact CG1-CG 3.83Å; P104-F107 HydrophobicContact CB-CB 4.1Å; P104-F107 HydrophobicContact CG-CB 4.37Å; P104-F107 VanDerWaalsContact O-CB 3.29Å; P104-F107 WeakPolarHBondContact O-CB 3.45Å; P104-F107 PolarHBondContact O-N 3.39Å; W105-F107 PolarHBondContact O-N 2.71Å; F107-E111 HydrophobicContact CD1-CB 4.43Å; F107-E111 HydrophobicContact CD2-CB 4.19Å; F107-E111 HydrophobicContact CE1-CB 4.23Å; F107-E111 HydrophobicContact CE1-CG 4.4Å; F107-E111 HydrophobicContact CE2-CB 3.82Å; F107-E111 HydrophobicContact CE2-CG 3.77Å; F107-E111 HydrophobicContact CG-CB 4.49Å; F107-E111 HydrophobicContact CZ-CB 3.91Å; F107-E111 HydrophobicContact CZ-CG 3.71Å; F107-E111 VanDerWaalsContact O-CB 3.25Å; F107-E111 WeakPolarHBondContact O-CB 3.42Å; F107-E111 PolarHBondContact O-N 3.22Å; F107-M112 HydrophobicContact CD1-CG 4.12Å; F107-M112 HydrophobicContact CD1-SD 3.96Å; F107-M112 HydrophobicContact CE1-CG 3.92Å; F107-M112 HydrophobicContact CE1-SD 3.92Å; F107-I147 HydrophobicContact CE1-CG2 3.95Å; F107-I147 HydrophobicContact CZ-CG2 3.67Å; F107-H148 AromaticContact CE2-CE1 3.12Å; F107-H148 WeakPolarHBondContact CE2-CE1 3.48Å; F107-H148 AromaticContact CE2-ND1 3.83Å; F107-H148 AromaticContact CE2-NE2 3.81Å; F107-H148 AromaticContact CZ-CE1 3.39Å; F107-H148 WeakPolarHBondContact CZ-CE1 3.46Å; F107-H148 AromaticContact CZ-ND1 3.62Å
108	F	86.1	Confident	72.5	Confident	1 Å²	1	69.6 Å²	69.6	0%	0.004	36%	0.364	C	S	.	.	I	π-helix	trans	-58.8	-50	173.3	161.8	-107.3	0	0	0	111.6	P104 W105 M112 L113 V125 L128 I139 T159	P104-F108 PolarHBondContact O-N 2.96Å; W105-F108 AromaticContact CE3-CD1 3.97Å; W105-F108 HydrophobicContact CE3-CD1 3.97Å; W105-F108 HydrophobicContact CH2-CD1 4.27Å; W105-F108 HydrophobicContact CH2-CE1 4.12Å; W105-F108 AromaticContact CZ3-CD1 3.74Å; W105-F108 HydrophobicContact CZ3-CD1 3.74Å; W105-F108 AromaticContact CZ3-CE1 3.88Å; W105-F108 HydrophobicContact CZ3-CE1 3.88Å; W105-F108 WeakPolarHBondContact O-CB 3.2Å; W105-F108 PolarHBondContact O-N 2.99Å; W105-F108 VanDerWaalsContact O-N 3.14Å; F108-M112 HydrophobicContact CD2-CB 4.03Å; F108-M112 HydrophobicContact CD2-SD 4.5Å; F108-M112 CarbonylContact O-C 3.58Å; F108-M112 WeakPolarHBondContact O-CA 3.37Å; F108-M112 WeakPolarHBondContact O-CB 3.5Å; F108-M112 PolarHBondContact O-N 2.91Å; F108-M112 VanDerWaalsContact O-N 3.09Å; F108-L113 HydrophobicContact CE1-CD1 4.02Å; F108-L113 HydrophobicContact CE2-CD1 4.15Å; F108-L113 HydrophobicContact CZ-CD1 3.51Å; F108-L113 PolarHBondContact O-N 3.4Å; F108-V125 HydrophobicContact CE2-CG2 3.95Å; F108-L128 HydrophobicContact CE2-CD2 3.98Å; F108-L128 HydrophobicContact CZ-CD1 3.94Å; F108-L128 HydrophobicContact CZ-CD2 3.78Å; F108-L128 HydrophobicContact CZ-CG 4.49Å; F108-I139 HydrophobicContact CB-CD1 4.17Å; F108-I139 HydrophobicContact CD2-CD1 3.28Å; F108-I139 HydrophobicContact CD2-CG1 3.8Å; F108-I139 HydrophobicContact CD2-CG2 4.18Å; F108-I139 HydrophobicContact CE2-CB 4.46Å; F108-I139 HydrophobicContact CE2-CD1 3.79Å; F108-I139 HydrophobicContact CE2-CG1 3.74Å; F108-I139 HydrophobicContact CE2-CG2 3.84Å; F108-I139 HydrophobicContact CG-CD1 3.81Å; F108-I139 HydrophobicContact CZ-CG1 4.46Å; F108-T159 HydrophobicContact CD1-CG2 4.37Å; F108-T159 HydrophobicContact CG-CG2 4.39Å
109	L	82.7	Confident	72.9	Confident	13 Å²	13	74.6 Å²	74.6	7%	0.068	38%	0.381	C	S	.	.	I	π-helix	trans	-62.7	-49	-177.6	-67.4	-178.9	0	0	0	113	W105 L113 E174	W105-L109 HydrophobicContact CD2-CG 4.49Å; W105-L109 HydrophobicContact CH2-CD2 4.27Å; W105-L109 HydrophobicContact CZ2-CD1 4.08Å; W105-L109 HydrophobicContact CZ2-CD2 3.89Å; W105-L109 HydrophobicContact CZ2-CG 4.2Å; W105-L109 VanDerWaalsContact NE1-CD1 3.33Å; W105-L109 PolarHBondContact O-N 3.4Å; L109-L113 HydrophobicContact CD2-CD2 4.47Å; L109-L113 VanDerWaalsContact O-CB 3.26Å; L109-L113 WeakPolarHBondContact O-CB 2.98Å; L109-E174 HydrophobicContact CB-CG 4.36Å; L109-E174 HydrophobicContact CD1-CG 4.37Å; L109-E174 HydrophobicContact CD2-CB 4.34Å; L109-E174 HydrophobicContact CD2-CG 4.11Å
110	H	78.7	Confident	73.2	Confident	123 Å²	123	73.6 Å²	73.6	57%	0.569	38%	0.38	S	S	*	.	I	π-helix	trans	-85.2	-32.1	-172.3	-66.7	-51.6	0	0	0	114.5	N106 E174	N106-H110 PolarHBondContact O-CD2 3.07Å; N106-H110 VanDerWaalsContact O-CD2 3.32Å; N106-H110 PolarHBondContact O-N 3.36Å; N106-H110 VanDerWaalsContact O-N 3.1Å; H110-E174 IonicContact CE1-OE1 2.83Å
111	E	78.5	Confident	73.9	Confident	60 Å²	60	72.6 Å²	72.6	28%	0.28	37%	0.367	S	S	.	.	I	π-helix	trans	-106.5	-27.3	-171.7	-160.7	66.5	-161.1	0	0	112.7	F107 I147 H148	F107-E111 HydrophobicContact CD1-CB 4.43Å; F107-E111 HydrophobicContact CD2-CB 4.19Å; F107-E111 HydrophobicContact CE1-CB 4.23Å; F107-E111 HydrophobicContact CE1-CG 4.4Å; F107-E111 HydrophobicContact CE2-CB 3.82Å; F107-E111 HydrophobicContact CE2-CG 3.77Å; F107-E111 HydrophobicContact CG-CB 4.49Å; F107-E111 HydrophobicContact CZ-CB 3.91Å; F107-E111 HydrophobicContact CZ-CG 3.71Å; F107-E111 VanDerWaalsContact O-CB 3.25Å; F107-E111 WeakPolarHBondContact O-CB 3.42Å; F107-E111 PolarHBondContact O-N 3.22Å; E111-I147 HydrophobicContact CG-CG2 4.42Å; E111-H148 PolarHBondContact OE1-N 2.86Å
112	M	79.9	Confident	73.9	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.373	C	S	.	.	I	π-helix	trans	-108.4	-32.3	-172.6	-54.7	-177.7	65.9	0	0	114	V103 F107 F108 V125 I139 L141 I147 F157	V103-M112 HydrophobicContact CG1-SD 4Å; F107-M112 HydrophobicContact CD1-CG 4.12Å; F107-M112 HydrophobicContact CD1-SD 3.96Å; F107-M112 HydrophobicContact CE1-CG 3.92Å; F107-M112 HydrophobicContact CE1-SD 3.92Å; F108-M112 HydrophobicContact CD2-CB 4.03Å; F108-M112 HydrophobicContact CD2-SD 4.5Å; F108-M112 CarbonylContact O-C 3.58Å; F108-M112 WeakPolarHBondContact O-CA 3.37Å; F108-M112 WeakPolarHBondContact O-CB 3.5Å; F108-M112 PolarHBondContact O-N 2.91Å; F108-M112 VanDerWaalsContact O-N 3.09Å; M112-V125 WeakPolarHBondContact O-CG2 3.26Å; M112-I139 HydrophobicContact CE-CG2 4.4Å; M112-L141 HydrophobicContact CE-CD1 3.88Å; M112-L141 HydrophobicContact CE-CD2 4.03Å; M112-L141 HydrophobicContact CE-CG 4.28Å; M112-I147 HydrophobicContact CE-CD1 3.96Å; M112-F157 HydrophobicContact CE-CB 4.04Å; M112-F157 HydrophobicContact CE-CD1 4.43Å; M112-F157 HydrophobicContact CE-CD2 3.57Å; M112-F157 HydrophobicContact CE-CE2 4.08Å; M112-F157 HydrophobicContact CE-CG 3.76Å
113	L	79.8	Confident	73.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-64.7	-50.3	-174.4	-161.7	80	0	0	0	112	F108 L109 Q124 I171 E174 E175 L178 V186	F108-L113 HydrophobicContact CE1-CD1 4.02Å; F108-L113 HydrophobicContact CE2-CD1 4.15Å; F108-L113 HydrophobicContact CZ-CD1 3.51Å; F108-L113 PolarHBondContact O-N 3.4Å; L109-L113 HydrophobicContact CD2-CD2 4.47Å; L109-L113 VanDerWaalsContact O-CB 3.26Å; L109-L113 WeakPolarHBondContact O-CB 2.98Å; L113-Q124 PolarHBondContact O-N 3.41Å; L113-I171 HydrophobicContact CD1-CG2 4.42Å; L113-E174 HydrophobicContact CD2-CB 4.38Å; L113-E174 HydrophobicContact CD2-CG 4.27Å; L113-E175 HydrophobicContact CD2-CG 4.17Å; L113-L178 HydrophobicContact CD2-CD1 3.74Å; L113-V186 HydrophobicContact CD1-CG2 4.02Å
114	A	72	Confident	73.6	Confident	12 Å²	12	69.8 Å²	69.8	10%	0.099	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.9	178.9	0	0	0	0	0	112.8	Y122 L178 I180	A114-Y122 WeakPolarHBondContact CA-O 3.46Å; A114-L178 HydrophobicContact CB-CD1 4.35Å; A114-I180 HydrophobicContact CB-CD1 3.7Å
115	K	66.8	Low	73.3	Confident	64 Å²	64	65.5 Å²	65.5	28%	0.278	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.9	175.7	-173.1	171.1	-176.3	169.2	0	110.8	Y122 Q124	K115-Y122 PolarHBondContact N-O 3.47Å; K115-Y122 VanDerWaalsContact O-CD1 3.25Å; K115-Y122 WeakPolarHBondContact O-CD1 3.37Å; K115-Y122 VanDerWaalsContact O-CE1 3.24Å; K115-Y122 WeakPolarHBondContact O-CE1 3.4Å; K115-Y122 PolarHBondContact O-N 2.97Å; K115-Q124 VanDerWaalsContact CB-NE2 3.28Å
116	G	63.5	Low	73.3	Confident	39 Å²	39	67.4 Å²	67.4	40%	0.402	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	169.3	179.4	0	0	0	0	0	112.9	L120	G116-L120 WeakPolarHBondContact CA-O 3.45Å
117	E	59.9	Low	73.3	Confident	151 Å²	151	64 Å²	64	71%	0.706	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	158.2	170.5	-74.2	-171.3	176.1	0	0	110.5	F119 L120	E117-F119 PolarHBondContact O-N 2.68Å; E117-L120 CarbonylContact O-C 3.44Å; E117-L120 PolarHBondContact O-N 2.88Å
118	P	57.6	Low	73.3	Confident	127 Å²	127	61.4 Å²	61.4	83%	0.825	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.5	-179.1	-25	32.6	0	0	0	114.5
119	F	55	Low	73.2	Confident	195 Å²	195	63.2 Å²	63.2	86%	0.855	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.5	-178.5	-139.7	-92.2	0	0	0	114.4	E117	E117-F119 PolarHBondContact O-N 2.68Å
120	L	53.7	Low	73.2	Confident	133 Å²	133	62.7 Å²	62.7	70%	0.696	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.6	77.5	-173	-132.6	126.6	0	0	0	110.9	G116 E117	G116-L120 WeakPolarHBondContact CA-O 3.45Å; E117-L120 CarbonylContact O-C 3.44Å; E117-L120 PolarHBondContact O-N 2.88Å
121	R	67.8	Low	73.1	Confident	112 Å²	112	59.5 Å²	59.5	42%	0.423	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.7	174.6	-72.9	178.6	174.2	179	-4.7	110.5	L178	R121-L178 VanDerWaalsContact CD-O 3.29Å; R121-L178 WeakPolarHBondContact CD-O 3.27Å; R121-L178 PolarHBondContact NH1-O 2.87Å
122	Y	70.7	Confident	72.8	Confident	119 Å²	119	60.4 Å²	60.4	47%	0.467	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.3	169.9	58.1	-88.3	0	0	0	110.1	A114 K115 Q124	A114-Y122 WeakPolarHBondContact CA-O 3.46Å; K115-Y122 PolarHBondContact N-O 3.47Å; K115-Y122 VanDerWaalsContact O-CD1 3.25Å; K115-Y122 WeakPolarHBondContact O-CD1 3.37Å; K115-Y122 VanDerWaalsContact O-CE1 3.24Å; K115-Y122 WeakPolarHBondContact O-CE1 3.4Å; K115-Y122 PolarHBondContact O-N 2.97Å; Y122-Q124 HydrophobicContact CD2-CG 4.22Å; Y122-Q124 HydrophobicContact CE2-CG 3.92Å
123	V	76.3	Confident	72.5	Confident	22 Å²	22	65.3 Å²	65.3	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.8	176	171.1	0	0	0	0	109.2	V125 I180 S184 V186	V123-V125 HydrophobicContact CG1-CB 4.34Å; V123-V125 VanDerWaalsContact CG1-O 3.3Å; V123-V125 WeakPolarHBondContact CG1-O 3.33Å; V123-I180 HydrophobicContact CG2-CD1 3.88Å; V123-I180 HydrophobicContact CG2-CG1 4.45Å; V123-I180 HydrophobicContact CG2-CG2 3.76Å; V123-S184 VanDerWaalsContact CG2-O 3.22Å; V123-S184 WeakPolarHBondContact CG2-O 3.2Å; V123-V186 HydrophobicContact CG1-CG2 3.47Å; V123-V186 VanDerWaalsContact CG1-CG2 3.47Å
124	Q	79.6	Confident	72.3	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.023	35%	0.346	C	S	.	.			trans	-94.5	-13.1	178	-60.5	-174.1	74.7	0	0	112.9	L113 K115 Y122 L141 H142 A145 I146	L113-Q124 PolarHBondContact O-N 3.41Å; K115-Q124 VanDerWaalsContact CB-NE2 3.28Å; Y122-Q124 HydrophobicContact CD2-CG 4.22Å; Y122-Q124 HydrophobicContact CE2-CG 3.92Å; Q124-L141 WeakPolarHBondContact O-CA 2.94Å; Q124-H142 PolarHBondContact O-N 3.37Å; Q124-A145 HydrophobicContact CB-CB 4.2Å; Q124-I146 PolarHBondContact OE1-O 3.07Å
125	V	82.3	Confident	72.7	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.012	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.7	-176.1	-175.6	0	0	0	0	109.6	F108 M112 V123 L128 I139 R140 L141 V186	F108-V125 HydrophobicContact CE2-CG2 3.95Å; M112-V125 WeakPolarHBondContact O-CG2 3.26Å; V123-V125 HydrophobicContact CG1-CB 4.34Å; V123-V125 VanDerWaalsContact CG1-O 3.3Å; V123-V125 WeakPolarHBondContact CG1-O 3.33Å; V125-L128 HydrophobicContact CG1-CD2 3.82Å; V125-L128 HydrophobicContact CG1-CG 4.03Å; V125-I139 HydrophobicContact CG1-CG2 3.92Å; V125-I139 HydrophobicContact CG2-CG2 4.16Å; V125-R140 CarbonylContact C-O 3.56Å; V125-R140 WeakPolarHBondContact CG1-O 3.49Å; V125-L141 HydrophobicContact CG2-CD2 3.98Å; V125-V186 HydrophobicContact CB-CG1 4.05Å; V125-V186 HydrophobicContact CB-CG2 3.87Å; V125-V186 HydrophobicContact CG1-CG1 3.58Å; V125-V186 HydrophobicContact CG1-CG2 4.3Å
126	E	81.2	Confident	73.4	Confident	70 Å²	70	70.3 Å²	70.3	33%	0.327	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-51.7	177.5	-179.4	179.3	-163.8	0	0	110.5	R140	E126-R140 HydrophobicContact CB-CG 4.49Å; E126-R140 PolarHBondContact N-O 2.9Å; E126-R140 WeakPolarHBondContact OE2-CD 3.38Å; E126-R140 IonicContact OE2-NE 2.73Å; E126-R140 PolarHBondContact OE2-NE 3.13Å; E126-R140 VanDerWaalsContact OE2-NE 3.08Å
127	E	83.6	Confident	74.4	Confident	40 Å²	40	68.5 Å²	68.5	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.7	-178.7	58	-178.3	-177.6	0	0	112.4	R140 S187	E127-R140 HydrophobicContact CG-CB 3.64Å; E127-R140 HydrophobicContact CG-CG 4.23Å; E127-R140 PolarHBondContact N-O 3.37Å; E127-R140 PolarHBondContact O-N 3.41Å; E127-R140 WeakPolarHBondContact OE1-CD 3.48Å; E127-R140 IonicContact OE1-CZ 3.54Å; E127-R140 IonicContact OE1-NE 3.19Å; E127-R140 IonicContact OE1-NH1 2.79Å; E127-R140 PolarHBondContact OE1-NH1 3.21Å; E127-S187 CarbonylContact C-O 3.42Å; E127-S187 WeakPolarHBondContact CA-O 3.36Å
128	L	84.1	Confident	75.6	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.1	172.3	-65.6	173.6	0	0	0	109.6	F108 V125 I137 I139 I171 V186 S187 I188 V189	F108-L128 HydrophobicContact CE2-CD2 3.98Å; F108-L128 HydrophobicContact CZ-CD1 3.94Å; F108-L128 HydrophobicContact CZ-CD2 3.78Å; F108-L128 HydrophobicContact CZ-CG 4.49Å; V125-L128 HydrophobicContact CG1-CD2 3.82Å; V125-L128 HydrophobicContact CG1-CG 4.03Å; L128-I137 HydrophobicContact CB-CG2 3.97Å; L128-I137 HydrophobicContact CD2-CG2 4Å; L128-I139 HydrophobicContact CD2-CB 4.02Å; L128-I139 HydrophobicContact CD2-CG1 3.64Å; L128-I139 HydrophobicContact CD2-CG2 4.04Å; L128-I171 HydrophobicContact CD1-CD1 3.36Å; L128-V186 HydrophobicContact CD1-CG1 3.83Å; L128-V186 HydrophobicContact CG-CG1 3.71Å; L128-S187 PolarHBondContact N-O 2.92Å; L128-I188 HydrophobicContact CB-CG1 4.44Å; L128-I188 HydrophobicContact CD1-CG1 4.37Å; L128-V189 PolarHBondContact O-N 3.36Å
129	L	83.2	Confident	76.9	Confident	39 Å²	39	56.3 Å²	56.3	20%	0.204	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107.9	177.5	-69.6	155.8	0	0	0	109.1	T138 V189	L129-T138 HydrophobicContact CD1-CG2 4.45Å; L129-T138 PolarHBondContact N-O 2.88Å; L129-T138 PolarHBondContact O-N 3.48Å; L129-V189 WeakPolarHBondContact CA-O 3.37Å; L129-V189 HydrophobicContact CD2-CB 4.08Å; L129-V189 HydrophobicContact CD2-CG1 4.05Å
130	I	83.3	Confident	78.3	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.1	179.2	-51.6	-172.5	0	0	0	108.9	I137 I164 V167 I188 V189 F190 Q191	I130-I137 HydrophobicContact CD1-CD1 3.87Å; I130-I137 HydrophobicContact CG1-CD1 3.8Å; I130-I137 HydrophobicContact CG1-CG1 4.01Å; I130-I137 HydrophobicContact CG1-CG2 4.25Å; I130-I137 HydrophobicContact CG2-CG1 4.39Å; I130-I164 HydrophobicContact CG2-CD1 3.51Å; I130-I164 HydrophobicContact CG2-CG1 4.28Å; I130-V167 HydrophobicContact CD1-CB 4.16Å; I130-V167 HydrophobicContact CD1-CG1 3.81Å; I130-I188 HydrophobicContact CD1-CG2 3.43Å; I130-I188 VanDerWaalsContact CD1-CG2 3.43Å; I130-I188 HydrophobicContact CG1-CG2 4.01Å; I130-V189 PolarHBondContact N-O 3.42Å; I130-F190 HydrophobicContact CB-CD1 3.76Å; I130-F190 HydrophobicContact CB-CE1 3.89Å; I130-F190 HydrophobicContact CD1-CD1 4.48Å; I130-F190 HydrophobicContact CD1-CE1 3.81Å; I130-F190 HydrophobicContact CD1-CZ 4.04Å; I130-F190 HydrophobicContact CG1-CE1 4.36Å; I130-F190 HydrophobicContact CG2-CD1 3.95Å; I130-F190 HydrophobicContact CG2-CE1 3.85Å; I130-F190 WeakPolarHBondContact O-CA 3.37Å; I130-Q191 PolarHBondContact O-N 3.15Å
131	M	77.4	Confident	79.8	Confident	55 Å²	55	45.5 Å²	45.5	27%	0.271	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.6	173.8	-57.6	-179.8	74.5	0	0	109	D133 S134	M131-D133 PolarHBondContact O-N 2.96Å; M131-S134 WeakPolarHBondContact CB-OG 3.29Å; M131-S134 PolarHBondContact O-N 3.41Å; M131-S134 VanDerWaalsContact O-O 3.13Å
132	S	71.7	Confident	80.5	Confident	79 Å²	79	44.2 Å²	44.2	55%	0.552	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.1	-174.7	53.2	0	0	0	0	115
133	D	72.1	Confident	80.7	Confident	104 Å²	104	42.4 Å²	42.4	56%	0.556	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	3.9	-173.8	54.7	-31.3	0	0	0	113.6	M131	M131-D133 PolarHBondContact O-N 2.96Å
134	S	76.9	Confident	80.5	Confident	32 Å²	32	44 Å²	44	22%	0.224	25%	0.246	C	C	.	.			trans	-138	143.2	177.8	77.3	0	0	0	0	112.8	M131 I136	M131-S134 WeakPolarHBondContact CB-OG 3.29Å; M131-S134 PolarHBondContact O-N 3.41Å; M131-S134 VanDerWaalsContact O-O 3.13Å; S134-I136 PolarHBondContact O-N 2.92Å; S134-I136 PolarHBondContact OG-O 3.26Å
135	D	80.1	Confident	80.4	Confident	96 Å²	96	44.1 Å²	44.1	51%	0.513	25%	0.248	S	C	.	.	S	Bend	trans	-75.6	11.2	173.7	-52.1	-26.9	0	0	0	113	R160 V161	D135-R160 HydrophobicContact CB-CG 4.4Å; D135-R160 WeakPolarHBondContact O-CA 3.34Å; D135-V161 PolarHBondContact O-N 2.86Å
136	I	82.1	Confident	80	Confident	53 Å²	53	46.6 Å²	46.6	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.1	-176.4	-58.5	175.7	0	0	0	108.5	S134 H158 T159	S134-I136 PolarHBondContact O-N 2.92Å; S134-I136 PolarHBondContact OG-O 3.26Å; I136-H158 HydrophobicContact CG2-CB 3.82Å; I136-T159 CarbonylContact C-O 3.58Å; I136-T159 WeakPolarHBondContact CA-O 3.47Å
137	I	83.6	Confident	79.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.8	173.2	-63.4	-178.1	0	0	0	108.8	L128 I130 H158 T159 V161 V167	L128-I137 HydrophobicContact CB-CG2 3.97Å; L128-I137 HydrophobicContact CD2-CG2 4Å; I130-I137 HydrophobicContact CD1-CD1 3.87Å; I130-I137 HydrophobicContact CG1-CD1 3.8Å; I130-I137 HydrophobicContact CG1-CG1 4.01Å; I130-I137 HydrophobicContact CG1-CG2 4.25Å; I130-I137 HydrophobicContact CG2-CG1 4.39Å; I137-H158 CarbonylContact O-C 3.6Å; I137-H158 VanDerWaalsContact O-CA 3.3Å; I137-H158 WeakPolarHBondContact O-CA 3.34Å; I137-T159 HydrophobicContact CB-CG2 4.26Å; I137-T159 PolarHBondContact N-O 3.47Å; I137-T159 PolarHBondContact O-N 3.26Å; I137-V161 HydrophobicContact CB-CG2 4.35Å; I137-V161 HydrophobicContact CD1-CB 4.5Å; I137-V161 HydrophobicContact CD1-CG2 3.25Å; I137-V161 HydrophobicContact CG1-CG2 3.58Å; I137-V167 HydrophobicContact CD1-CB 4.45Å; I137-V167 HydrophobicContact CD1-CG1 3.42Å; I137-V167 VanDerWaalsContact CD1-CG1 3.42Å; I137-V167 HydrophobicContact CD1-CG2 4.34Å
138	T	85.5	Confident	79	Confident	23 Å²	23	48.7 Å²	48.7	14%	0.141	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.2	171.3	-54.5	0	0	0	0	109.1	L129 I156 F157 H158	L129-T138 HydrophobicContact CD1-CG2 4.45Å; L129-T138 PolarHBondContact N-O 2.88Å; L129-T138 PolarHBondContact O-N 3.48Å; T138-I156 HydrophobicContact CG2-CG2 3.45Å; T138-I156 VanDerWaalsContact CG2-CG2 3.45Å; T138-F157 CarbonylContact C-O 3.57Å; T138-F157 WeakPolarHBondContact CA-O 3.35Å; T138-H158 PolarHBondContact OG1-CE1 2.84Å; T138-H158 PolarHBondContact OG1-ND1 3.06Å
139	I	85.4	Confident	78.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123	179.4	-56.6	152.5	0	0	0	108.2	F108 M112 V125 L128 L141 I156 F157 T159	F108-I139 HydrophobicContact CB-CD1 4.17Å; F108-I139 HydrophobicContact CD2-CD1 3.28Å; F108-I139 HydrophobicContact CD2-CG1 3.8Å; F108-I139 HydrophobicContact CD2-CG2 4.18Å; F108-I139 HydrophobicContact CE2-CB 4.46Å; F108-I139 HydrophobicContact CE2-CD1 3.79Å; F108-I139 HydrophobicContact CE2-CG1 3.74Å; F108-I139 HydrophobicContact CE2-CG2 3.84Å; F108-I139 HydrophobicContact CG-CD1 3.81Å; F108-I139 HydrophobicContact CZ-CG1 4.46Å; M112-I139 HydrophobicContact CE-CG2 4.4Å; V125-I139 HydrophobicContact CG1-CG2 3.92Å; V125-I139 HydrophobicContact CG2-CG2 4.16Å; L128-I139 HydrophobicContact CD2-CB 4.02Å; L128-I139 HydrophobicContact CD2-CG1 3.64Å; L128-I139 HydrophobicContact CD2-CG2 4.04Å; I139-L141 HydrophobicContact CG2-CD2 4.17Å; I139-I156 WeakPolarHBondContact O-CA 3.23Å; I139-F157 HydrophobicContact CB-CB 4.27Å; I139-F157 HydrophobicContact CD1-CB 4.3Å; I139-F157 PolarHBondContact N-O 3.4Å; I139-F157 PolarHBondContact O-N 3.01Å; I139-T159 HydrophobicContact CD1-CG2 3.72Å; I139-T159 HydrophobicContact CG1-CG2 4.22Å
140	R	84.2	Confident	78	Confident	99 Å²	99	56.9 Å²	56.9	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.1	170.5	-169.6	-179.6	-174.8	146.1	3.4	110	V125 E126 E127 R155	V125-R140 CarbonylContact C-O 3.56Å; V125-R140 WeakPolarHBondContact CG1-O 3.49Å; E126-R140 HydrophobicContact CB-CG 4.49Å; E126-R140 PolarHBondContact N-O 2.9Å; E126-R140 WeakPolarHBondContact OE2-CD 3.38Å; E126-R140 IonicContact OE2-NE 2.73Å; E126-R140 PolarHBondContact OE2-NE 3.13Å; E126-R140 VanDerWaalsContact OE2-NE 3.08Å; E127-R140 HydrophobicContact CG-CB 3.64Å; E127-R140 HydrophobicContact CG-CG 4.23Å; E127-R140 PolarHBondContact N-O 3.37Å; E127-R140 PolarHBondContact O-N 3.41Å; E127-R140 WeakPolarHBondContact OE1-CD 3.48Å; E127-R140 IonicContact OE1-CZ 3.54Å; E127-R140 IonicContact OE1-NE 3.19Å; E127-R140 IonicContact OE1-NH1 2.79Å; E127-R140 PolarHBondContact OE1-NH1 3.21Å; R140-R155 CarbonylContact C-O 3.58Å; R140-R155 WeakPolarHBondContact CA-O 3.34Å
141	L	84.5	Confident	77.6	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	149.1	178.3	-62.4	174	0	0	0	111.6	M112 Q124 V125 I139 A145 I147 A152 R155 F157	M112-L141 HydrophobicContact CE-CD1 3.88Å; M112-L141 HydrophobicContact CE-CD2 4.03Å; M112-L141 HydrophobicContact CE-CG 4.28Å; Q124-L141 WeakPolarHBondContact O-CA 2.94Å; V125-L141 HydrophobicContact CG2-CD2 3.98Å; I139-L141 HydrophobicContact CG2-CD2 4.17Å; L141-A145 HydrophobicContact CB-CB 3.78Å; L141-A145 HydrophobicContact CD1-CB 3.96Å; L141-A145 HydrophobicContact CD2-CB 4.36Å; L141-A145 HydrophobicContact CG-CB 4.26Å; L141-I147 HydrophobicContact CD1-CD1 3.96Å; L141-A152 HydrophobicContact CD1-CB 3.83Å; L141-R155 PolarHBondContact N-O 3.07Å; L141-F157 HydrophobicContact CD1-CD2 3.69Å; L141-F157 HydrophobicContact CD1-CE2 3.5Å; L141-F157 HydrophobicContact CG-CD2 4.33Å
142	H	81.9	Confident	77.5	Confident	84 Å²	84	61 Å²	61	39%	0.389	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.5	150	168.1	-79.5	-62.1	0	0	0	111.5	Q124 G144 A145	Q124-H142 PolarHBondContact O-N 3.37Å; H142-G144 PolarHBondContact O-N 3.39Å; H142-G144 VanDerWaalsContact O-N 3.13Å; H142-A145 PolarHBondContact O-N 2.86Å
143	P	74.9	Confident	77.6	Confident	82 Å²	82	62 Å²	62	53%	0.532	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	118.4	174.5	-20.7	31.6	0	0	0	111.1
144	G	73.4	Confident	77.9	Confident	54 Å²	54	59.3 Å²	59.3	56%	0.557	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	12.1	179.3	0	0	0	0	0	115.9	H142	H142-G144 PolarHBondContact O-N 3.39Å; H142-G144 VanDerWaalsContact O-N 3.13Å
145	A	76.7	Confident	78.1	Confident	8 Å²	8	64.5 Å²	64.5	7%	0.066	36%	0.355	C	S	.	.			trans	-53.1	145.1	172.9	0	0	0	0	0	112.2	Q124 L141 H142 I151 A152	Q124-A145 HydrophobicContact CB-CB 4.2Å; L141-A145 HydrophobicContact CB-CB 3.78Å; L141-A145 HydrophobicContact CD1-CB 3.96Å; L141-A145 HydrophobicContact CD2-CB 4.36Å; L141-A145 HydrophobicContact CG-CB 4.26Å; H142-A145 PolarHBondContact O-N 2.86Å; A145-I151 CarbonylContact O-C 3.52Å; A145-I151 WeakPolarHBondContact O-CA 3.38Å; A145-A152 HydrophobicContact CB-CB 4.37Å; A145-A152 WeakPolarHBondContact O-CB 3.41Å; A145-A152 PolarHBondContact O-N 3.24Å
146	I	74.2	Confident	78.3	Confident	55 Å²	55	63.1 Å²	63.1	28%	0.282	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.5	-173	-55.5	175.6	0	0	0	110.2	Q124 G149 Q150	Q124-I146 PolarHBondContact OE1-O 3.07Å; I146-G149 VanDerWaalsContact CG2-C 3.42Å; I146-Q150 CarbonylContact C-O 3.5Å; I146-Q150 VanDerWaalsContact CA-O 3.22Å; I146-Q150 WeakPolarHBondContact CA-O 3.21Å; I146-Q150 WeakPolarHBondContact CG2-O 3.46Å
147	I	72.1	Confident	78.4	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.108	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	177.1	-54	170.8	0	0	0	108.3	F107 E111 M112 L141 G149 Q150 A152 F157	F107-I147 HydrophobicContact CE1-CG2 3.95Å; F107-I147 HydrophobicContact CZ-CG2 3.67Å; E111-I147 HydrophobicContact CG-CG2 4.42Å; M112-I147 HydrophobicContact CE-CD1 3.96Å; L141-I147 HydrophobicContact CD1-CD1 3.96Å; I147-G149 PolarHBondContact O-N 2.69Å; I147-Q150 PolarHBondContact N-O 2.97Å; I147-Q150 PolarHBondContact O-N 3.29Å; I147-Q150 VanDerWaalsContact O-O 3.05Å; I147-A152 HydrophobicContact CD1-CB 3.64Å; I147-A152 HydrophobicContact CG1-CB 4Å; I147-F157 HydrophobicContact CD1-CE1 4.39Å; I147-F157 HydrophobicContact CD1-CE2 3.64Å; I147-F157 HydrophobicContact CD1-CZ 3.56Å
148	H	71.8	Confident	78.4	Confident	133 Å²	133	62.2 Å²	62.2	62%	0.616	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	38.9	-175.5	-68.5	111.3	0	0	0	114.9	F107 E111 Q150	F107-H148 AromaticContact CE2-CE1 3.12Å; F107-H148 WeakPolarHBondContact CE2-CE1 3.48Å; F107-H148 AromaticContact CE2-ND1 3.83Å; F107-H148 AromaticContact CE2-NE2 3.81Å; F107-H148 AromaticContact CZ-CE1 3.39Å; F107-H148 WeakPolarHBondContact CZ-CE1 3.46Å; F107-H148 AromaticContact CZ-ND1 3.62Å; E111-H148 PolarHBondContact OE1-N 2.86Å; H148-Q150 PolarHBondContact O-N 2.89Å
149	G	70.3	Confident	78.3	Confident	61 Å²	61	61.1 Å²	61.1	63%	0.629	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-0.1	178.9	0	0	0	0	0	114.9	I146 I147	I146-G149 VanDerWaalsContact CG2-C 3.42Å; I147-G149 PolarHBondContact O-N 2.69Å
150	Q	75.9	Confident	78.2	Confident	150 Å²	150	68.4 Å²	68.4	70%	0.701	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	148.6	173.6	-61	-173.8	11	0	0	110.7	I146 I147 H148 A152	I146-Q150 CarbonylContact C-O 3.5Å; I146-Q150 VanDerWaalsContact CA-O 3.22Å; I146-Q150 WeakPolarHBondContact CA-O 3.21Å; I146-Q150 WeakPolarHBondContact CG2-O 3.46Å; I147-Q150 PolarHBondContact N-O 2.97Å; I147-Q150 PolarHBondContact O-N 3.29Å; I147-Q150 VanDerWaalsContact O-O 3.05Å; H148-Q150 PolarHBondContact O-N 2.89Å; Q150-A152 PolarHBondContact O-N 2.71Å
151	I	75.8	Confident	78.1	Confident	128 Å²	128	64.1 Å²	64.1	66%	0.656	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.6	172.3	-59.9	169.6	0	0	0	108.2	A145	A145-I151 CarbonylContact O-C 3.52Å; A145-I151 WeakPolarHBondContact O-CA 3.38Å
152	A	74.1	Confident	77.8	Confident	17 Å²	17	68.7 Å²	68.7	14%	0.14	38%	0.377	C	S	.	.			trans	-56.1	125.9	-178.9	0	0	0	0	0	109.8	L141 A145 I147 Q150 T154 F157	L141-A152 HydrophobicContact CD1-CB 3.83Å; A145-A152 HydrophobicContact CB-CB 4.37Å; A145-A152 WeakPolarHBondContact O-CB 3.41Å; A145-A152 PolarHBondContact O-N 3.24Å; I147-A152 HydrophobicContact CD1-CB 3.64Å; I147-A152 HydrophobicContact CG1-CB 4Å; Q150-A152 PolarHBondContact O-N 2.71Å; A152-T154 PolarHBondContact O-N 2.75Å; A152-F157 HydrophobicContact CB-CE2 4.35Å
153	P	74.8	Confident	77.6	Confident	99 Å²	99	67.5 Å²	67.5	64%	0.643	37%	0.373	S	S	*	.	S	Bend	trans	-65.8	-26.6	-175.7	25.2	-35.8	0	0	0	112.8	F157	P153-F157 HydrophobicContact CG-CZ 4.43Å
154	T	78.5	Confident	77.7	Confident	48 Å²	48	65.6 Å²	65.6	29%	0.294	36%	0.358	S	S	.	.			trans	-136.9	153.9	179.6	49.4	0	0	0	0	109.2	R101 A152 I156 F157	R101-T154 PolarHBondContact NH1-OG1 3.12Å; A152-T154 PolarHBondContact O-N 2.75Å; T154-I156 PolarHBondContact OG1-O 2.79Å; T154-F157 WeakPolarHBondContact O-CE2 3.48Å
155	R	81	Confident	78	Confident	141 Å²	141	73.3 Å²	73.3	53%	0.532	37%	0.371	S	S	.	.	S	Bend	trans	-84.4	-17.3	175	-63.1	-174.1	-172.4	-179.3	1.5	113.1	R140 L141	R140-R155 CarbonylContact C-O 3.58Å; R140-R155 WeakPolarHBondContact CA-O 3.34Å; L141-R155 PolarHBondContact N-O 3.07Å
156	I	82.8	Confident	78.2	Confident	66 Å²	66	76.9 Å²	76.9	34%	0.338	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.7	-173.9	-56.8	174.7	0	0	0	108.3	T138 I139 T154	T138-I156 HydrophobicContact CG2-CG2 3.45Å; T138-I156 VanDerWaalsContact CG2-CG2 3.45Å; I139-I156 WeakPolarHBondContact O-CA 3.23Å; T154-I156 PolarHBondContact OG1-O 2.79Å
157	F	84.1	Confident	78.7	Confident	15 Å²	15	74.3 Å²	74.3	7%	0.066	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.2	172.4	-71.2	-88.8	0	0	0	109.4	R101 V103 M112 T138 I139 L141 I147 A152 P153 T154	R101-F157 HydrophobicContact CB-CD1 4.09Å; R101-F157 HydrophobicContact CB-CE1 4.47Å; V103-F157 HydrophobicContact CG2-CB 4.33Å; V103-F157 HydrophobicContact CG2-CD1 3.65Å; V103-F157 HydrophobicContact CG2-CE1 4.41Å; V103-F157 HydrophobicContact CG2-CG 4.37Å; M112-F157 HydrophobicContact CE-CB 4.04Å; M112-F157 HydrophobicContact CE-CD1 4.43Å; M112-F157 HydrophobicContact CE-CD2 3.57Å; M112-F157 HydrophobicContact CE-CE2 4.08Å; M112-F157 HydrophobicContact CE-CG 3.76Å; T138-F157 CarbonylContact C-O 3.57Å; T138-F157 WeakPolarHBondContact CA-O 3.35Å; I139-F157 HydrophobicContact CB-CB 4.27Å; I139-F157 HydrophobicContact CD1-CB 4.3Å; I139-F157 PolarHBondContact N-O 3.4Å; I139-F157 PolarHBondContact O-N 3.01Å; L141-F157 HydrophobicContact CD1-CD2 3.69Å; L141-F157 HydrophobicContact CD1-CE2 3.5Å; L141-F157 HydrophobicContact CG-CD2 4.33Å; I147-F157 HydrophobicContact CD1-CE1 4.39Å; I147-F157 HydrophobicContact CD1-CE2 3.64Å; I147-F157 HydrophobicContact CD1-CZ 3.56Å; A152-F157 HydrophobicContact CB-CE2 4.35Å; P153-F157 HydrophobicContact CG-CZ 4.43Å; T154-F157 WeakPolarHBondContact O-CE2 3.48Å
158	H	84.1	Confident	79.2	Confident	20 Å²	20	77.8 Å²	77.8	9%	0.093	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.3	175.6	-59.9	-76	0	0	0	109.9	R101 L102 V103 I136 I137 T138	R101-H158 PolarHBondContact O-N 2.92Å; L102-H158 CarbonylContact C-O 3.58Å; L102-H158 WeakPolarHBondContact CA-O 3.4Å; L102-H158 HydrophobicContact CD1-CB 4.36Å; V103-H158 PolarHBondContact N-O 3.26Å; I136-H158 HydrophobicContact CG2-CB 3.82Å; I137-H158 CarbonylContact O-C 3.6Å; I137-H158 VanDerWaalsContact O-CA 3.3Å; I137-H158 WeakPolarHBondContact O-CA 3.34Å; T138-H158 PolarHBondContact OG1-CE1 2.84Å; T138-H158 PolarHBondContact OG1-ND1 3.06Å
159	T	83	Confident	79.8	Confident	0 Å²	0	76 Å²	76	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.9	172.4	-166.5	0	0	0	0	110.8	V103 W105 F108 I136 I137 I139	V103-T159 WeakPolarHBondContact O-CA 3.46Å; V103-T159 WeakPolarHBondContact O-CB 3.33Å; V103-T159 PolarHBondContact O-OG1 2.85Å; W105-T159 WeakPolarHBondContact CA-OG1 3.47Å; W105-T159 HydrophobicContact CE3-CG2 3.81Å; W105-T159 HydrophobicContact CZ3-CG2 3.96Å; F108-T159 HydrophobicContact CD1-CG2 4.37Å; F108-T159 HydrophobicContact CG-CG2 4.39Å; I136-T159 CarbonylContact C-O 3.58Å; I136-T159 WeakPolarHBondContact CA-O 3.47Å; I137-T159 HydrophobicContact CB-CG2 4.26Å; I137-T159 PolarHBondContact N-O 3.47Å; I137-T159 PolarHBondContact O-N 3.26Å; I139-T159 HydrophobicContact CD1-CG2 3.72Å; I139-T159 HydrophobicContact CG1-CG2 4.22Å
160	R	84.7	Confident	80.6	Confident	154 Å²	154	76 Å²	76	58%	0.581	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.4	173.5	-177.7	-178.9	-71.5	156.3	-2	109.1	D135	D135-R160 HydrophobicContact CB-CG 4.4Å; D135-R160 WeakPolarHBondContact O-CA 3.34Å
161	V	81.4	Confident	81	Confident	8 Å²	8	68.9 Å²	68.9	5%	0.048	34%	0.335	C	S	.	.			trans	-93.7	144.3	-178	176.2	0	0	0	0	111.3	W105 D135 I137 D163 V167	W105-V161 HydrophobicContact CE3-CG2 3.9Å; W105-V161 HydrophobicContact CH2-CG2 4.27Å; W105-V161 HydrophobicContact CZ3-CG2 3.59Å; D135-V161 PolarHBondContact O-N 2.86Å; I137-V161 HydrophobicContact CB-CG2 4.35Å; I137-V161 HydrophobicContact CD1-CB 4.5Å; I137-V161 HydrophobicContact CD1-CG2 3.25Å; I137-V161 HydrophobicContact CG1-CG2 3.58Å; V161-D163 WeakPolarHBondContact CG1-O 3.3Å; V161-V167 HydrophobicContact CB-CG2 4.35Å; V161-V167 HydrophobicContact CG1-CB 4.44Å; V161-V167 HydrophobicContact CG1-CG1 4.46Å; V161-V167 HydrophobicContact CG1-CG2 3.34Å; V161-V167 HydrophobicContact CG2-CG2 4.45Å
162	P	77.5	Confident	81.5	Confident	99 Å²	99	66.5 Å²	66.5	64%	0.643	32%	0.318	S	S	*	.	S	Bend	trans	-61.8	-44.3	173	-20.8	31.5	0	0	0	114.9	W105	W105-P162 HydrophobicContact CG-CG 4.3Å
163	D	78.9	Confident	82	Confident	59 Å²	59	72 Å²	72	32%	0.316	34%	0.335	S	S	.	.			trans	-143.7	112.8	178.2	-172.9	-0.5	0	0	0	111.3	V161 R165 V167	V161-D163 WeakPolarHBondContact CG1-O 3.3Å; D163-R165 PolarHBondContact O-N 3.06Å; D163-R165 PolarHBondContact OD1-N 3.28Å; D163-V167 WeakPolarHBondContact O-CG2 3.47Å; D163-V167 PolarHBondContact O-N 3.36Å
164	I	77.5	Confident	82.4	Confident	42 Å²	42	68.7 Å²	68.7	22%	0.215	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.5	-178.5	-159.7	62.6	0	0	0	113.3	I130 V167	I130-I164 HydrophobicContact CG2-CD1 3.51Å; I130-I164 HydrophobicContact CG2-CG1 4.28Å; I164-V167 VanDerWaalsContact CA-CG2 3.46Å; I164-V167 HydrophobicContact CD1-CG2 4.11Å; I164-V167 WeakPolarHBondContact O-CG2 3.32Å
165	R	78.7	Confident	82.6	Confident	216 Å²	216	66.7 Å²	66.7	82%	0.815	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-33.8	-176	-65.2	179.3	-122.7	-173.4	-1	112.8	D163	D163-R165 PolarHBondContact O-N 3.06Å; D163-R165 PolarHBondContact OD1-N 3.28Å
166	N	81.2	Confident	82.6	Confident	82 Å²	82	67 Å²	67	44%	0.439	31%	0.306	S	S	.	.	S	Bend	trans	-110.3	15	-174.6	-67.1	0.3	0	0	0	112.7	E168 E169 L170	N166-E168 VanDerWaalsContact C-N 3.34Å; N166-E168 PolarHBondContact O-N 2.8Å; N166-E169 PolarHBondContact O-N 3.01Å; N166-L170 WeakPolarHBondContact O-CG 3.38Å; N166-L170 PolarHBondContact O-N 3.01Å
167	V	83.8	Confident	82.4	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-47.7	-175.3	-178.6	0	0	0	0	112.6	I130 I137 V161 D163 I164 E169 L170 I171	I130-V167 HydrophobicContact CD1-CB 4.16Å; I130-V167 HydrophobicContact CD1-CG1 3.81Å; I137-V167 HydrophobicContact CD1-CB 4.45Å; I137-V167 HydrophobicContact CD1-CG1 3.42Å; I137-V167 VanDerWaalsContact CD1-CG1 3.42Å; I137-V167 HydrophobicContact CD1-CG2 4.34Å; V161-V167 HydrophobicContact CB-CG2 4.35Å; V161-V167 HydrophobicContact CG1-CB 4.44Å; V161-V167 HydrophobicContact CG1-CG1 4.46Å; V161-V167 HydrophobicContact CG1-CG2 3.34Å; V161-V167 HydrophobicContact CG2-CG2 4.45Å; D163-V167 WeakPolarHBondContact O-CG2 3.47Å; D163-V167 PolarHBondContact O-N 3.36Å; I164-V167 VanDerWaalsContact CA-CG2 3.46Å; I164-V167 HydrophobicContact CD1-CG2 4.11Å; I164-V167 WeakPolarHBondContact O-CG2 3.32Å; V167-E169 VanDerWaalsContact C-N 3.25Å; V167-E169 PolarHBondContact O-N 3.48Å; V167-L170 PolarHBondContact O-N 2.93Å; V167-L170 VanDerWaalsContact O-N 3.15Å; V167-I171 HydrophobicContact CG1-CD1 3.58Å; V167-I171 HydrophobicContact CG1-CG1 4.19Å; V167-I171 WeakPolarHBondContact O-CG1 3.4Å; V167-I171 PolarHBondContact O-N 3.19Å
168	E	84.3	Confident	82.1	Confident	93 Å²	93	71.5 Å²	71.5	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-43.7	-177.9	-180	167	-167.1	0	0	110.1	N166 L170 I171 R172 I188	N166-E168 VanDerWaalsContact C-N 3.34Å; N166-E168 PolarHBondContact O-N 2.8Å; E168-L170 PolarHBondContact O-N 3.33Å; E168-I171 PolarHBondContact O-N 2.73Å; E168-R172 VanDerWaalsContact O-CG 3.23Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 3.29Å; E168-I188 HydrophobicContact CB-CD1 4.21Å; E168-I188 HydrophobicContact CG-CD1 3.91Å
169	E	84.3	Confident	81.6	Confident	95 Å²	95	73.7 Å²	73.7	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-38.7	176.8	-162.2	178.7	177.4	0	0	112.7	N166 V167 R173	N166-E169 PolarHBondContact O-N 3.01Å; V167-E169 VanDerWaalsContact C-N 3.25Å; V167-E169 PolarHBondContact O-N 3.48Å; E169-R173 WeakPolarHBondContact O-CB 3.07Å; E169-R173 VanDerWaalsContact O-CG 3.27Å; E169-R173 WeakPolarHBondContact O-CG 3.49Å; E169-R173 PolarHBondContact O-N 2.97Å; E169-R173 IonicContact OE1-CZ 3.93Å; E169-R173 IonicContact OE1-NE 2.77Å; E169-R173 IonicContact OE1-NH2 3.7Å; E169-R173 PolarHBondContact OE1-NH2 2.75Å
170	L	85.3	Confident	81.2	Confident	62 Å²	62	74.8 Å²	74.8	33%	0.325	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-42.1	175.8	-72.7	171.3	0	0	0	111.9	N166 V167 E168 E174	N166-L170 WeakPolarHBondContact O-CG 3.38Å; N166-L170 PolarHBondContact O-N 3.01Å; V167-L170 PolarHBondContact O-N 2.93Å; V167-L170 VanDerWaalsContact O-N 3.15Å; E168-L170 PolarHBondContact O-N 3.33Å; L170-E174 PolarHBondContact O-N 3.36Å; L170-E174 VanDerWaalsContact O-N 3.16Å
171	I	85.5	Confident	80.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.9	-44.5	-180	-65.2	173.4	0	0	0	110.5	W105 L113 L128 V167 E168 R173 E174 E175 I188	W105-I171 HydrophobicContact CH2-CD1 4.3Å; W105-I171 HydrophobicContact CH2-CG1 4Å; L113-I171 HydrophobicContact CD1-CG2 4.42Å; L128-I171 HydrophobicContact CD1-CD1 3.36Å; V167-I171 HydrophobicContact CG1-CD1 3.58Å; V167-I171 HydrophobicContact CG1-CG1 4.19Å; V167-I171 WeakPolarHBondContact O-CG1 3.4Å; V167-I171 PolarHBondContact O-N 3.19Å; E168-I171 PolarHBondContact O-N 2.73Å; I171-R173 VanDerWaalsContact C-N 3.33Å; I171-R173 PolarHBondContact O-N 3.5Å; I171-E174 PolarHBondContact O-N 2.83Å; I171-E174 VanDerWaalsContact O-N 3.15Å; I171-E175 HydrophobicContact CG2-CG 4.35Å; I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 3.02Å; I171-I188 HydrophobicContact CB-CD1 4.46Å; I171-I188 HydrophobicContact CD1-CD1 4.25Å; I171-I188 HydrophobicContact CG2-CD1 4.43Å
172	R	85.3	Confident	80.2	Confident	79 Å²	79	74.4 Å²	74.4	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-39.6	177.8	-65.3	-62.1	176.7	-137.7	-3.8	112.1	E168 E174 E175 E176 V186	E168-R172 VanDerWaalsContact O-CG 3.23Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 3.29Å; R172-E174 PolarHBondContact O-N 3.43Å; R172-E175 WeakPolarHBondContact CD-OE2 3.22Å; R172-E175 IonicContact CZ-OE2 3.61Å; R172-E175 IonicContact NE-OE2 2.78Å; R172-E175 IonicContact NH1-OE1 3.61Å; R172-E175 PolarHBondContact NH1-OE1 2.68Å; R172-E175 IonicContact NH1-OE2 3.56Å; R172-E175 PolarHBondContact NH1-OE2 3.09Å; R172-E175 PolarHBondContact O-N 3.06Å; R172-E176 WeakPolarHBondContact O-CG 3.39Å; R172-E176 PolarHBondContact O-N 2.85Å; R172-V186 PolarHBondContact NH1-O 2.92Å; R172-V186 PolarHBondContact NH2-O 2.94Å
173	R	84.9	Confident	80	Confident	132 Å²	132	77.8 Å²	77.8	50%	0.498	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-39	173.8	-75.1	177.5	-173	-176.3	4.6	112.7	E169 I171 Q177	E169-R173 WeakPolarHBondContact O-CB 3.07Å; E169-R173 VanDerWaalsContact O-CG 3.27Å; E169-R173 WeakPolarHBondContact O-CG 3.49Å; E169-R173 PolarHBondContact O-N 2.97Å; E169-R173 IonicContact OE1-CZ 3.93Å; E169-R173 IonicContact OE1-NE 2.77Å; E169-R173 IonicContact OE1-NH2 3.7Å; E169-R173 PolarHBondContact OE1-NH2 2.75Å; I171-R173 VanDerWaalsContact C-N 3.33Å; I171-R173 PolarHBondContact O-N 3.5Å; R173-Q177 WeakPolarHBondContact O-CG 3.3Å; R173-Q177 PolarHBondContact O-N 2.7Å
174	E	82.9	Confident	79.7	Confident	30 Å²	30	78.4 Å²	78.4	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-70.4	-39.8	176.8	-160.3	72.8	-162.5	0	0	111.1	L109 H110 L113 L170 I171 R172 E176 Q177 L178	L109-E174 HydrophobicContact CB-CG 4.36Å; L109-E174 HydrophobicContact CD1-CG 4.37Å; L109-E174 HydrophobicContact CD2-CB 4.34Å; L109-E174 HydrophobicContact CD2-CG 4.11Å; H110-E174 IonicContact CE1-OE1 2.83Å; L113-E174 HydrophobicContact CD2-CB 4.38Å; L113-E174 HydrophobicContact CD2-CG 4.27Å; L170-E174 PolarHBondContact O-N 3.36Å; L170-E174 VanDerWaalsContact O-N 3.16Å; I171-E174 PolarHBondContact O-N 2.83Å; I171-E174 VanDerWaalsContact O-N 3.15Å; R172-E174 PolarHBondContact O-N 3.43Å; E174-E176 VanDerWaalsContact C-N 3.33Å; E174-E176 PolarHBondContact O-N 3.19Å; E174-Q177 PolarHBondContact O-N 2.74Å; E174-L178 HydrophobicContact CG-CD1 4.18Å; E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 2.88Å
175	E	82.8	Confident	79.7	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.028	40%	0.404	C	S	.	.	H	α-helix	trans	-59.5	-42.1	174.2	-73.1	176.8	165.4	0	0	112.1	L113 I171 R172 L178 G179 I180 V186	L113-E175 HydrophobicContact CD2-CG 4.17Å; I171-E175 HydrophobicContact CG2-CG 4.35Å; I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 3.02Å; R172-E175 WeakPolarHBondContact CD-OE2 3.22Å; R172-E175 IonicContact CZ-OE2 3.61Å; R172-E175 IonicContact NE-OE2 2.78Å; R172-E175 IonicContact NH1-OE1 3.61Å; R172-E175 PolarHBondContact NH1-OE1 2.68Å; R172-E175 IonicContact NH1-OE2 3.56Å; R172-E175 PolarHBondContact NH1-OE2 3.09Å; R172-E175 PolarHBondContact O-N 3.06Å; E175-L178 CarbonylContact O-C 3.58Å; E175-L178 PolarHBondContact O-N 3.15Å; E175-G179 PolarHBondContact O-N 3.44Å; E175-G179 VanDerWaalsContact O-N 3.13Å; E175-I180 HydrophobicContact CB-CB 4.33Å; E175-I180 HydrophobicContact CB-CD1 4.36Å; E175-I180 HydrophobicContact CG-CD1 4.24Å; E175-I180 PolarHBondContact O-N 3.21Å; E175-V186 WeakPolarHBondContact OE1-CB 3.35Å; E175-V186 WeakPolarHBondContact OE1-CG2 3.12Å; E175-V186 PolarHBondContact OE1-N 2.79Å
176	E	82	Confident	79.9	Confident	147 Å²	147	67.3 Å²	67.3	69%	0.687	37%	0.366	S	S	*	.	H	α-helix	trans	-62.2	-46.8	173.5	-76.9	177.5	-175.9	0	0	112.1	R172 E174 L178 G179	R172-E176 WeakPolarHBondContact O-CG 3.39Å; R172-E176 PolarHBondContact O-N 2.85Å; E174-E176 VanDerWaalsContact C-N 3.33Å; E174-E176 PolarHBondContact O-N 3.19Å; E176-L178 PolarHBondContact O-N 2.94Å; E176-G179 PolarHBondContact O-N 3.08Å
177	Q	79	Confident	80	Confident	145 Å²	145	66.3 Å²	66.3	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-61	-31.2	175.2	-74.9	-178.1	30.9	0	0	112.3	R173 E174 G179	R173-Q177 WeakPolarHBondContact O-CG 3.3Å; R173-Q177 PolarHBondContact O-N 2.7Å; E174-Q177 PolarHBondContact O-N 2.74Å; Q177-G179 VanDerWaalsContact C-N 3.3Å
178	L	77.8	Confident	80	Confident	30 Å²	30	67.4 Å²	67.4	16%	0.157	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.4	178	-66.4	170.8	0	0	0	113.5	L113 A114 R121 E174 E175 E176 I180	L113-L178 HydrophobicContact CD2-CD1 3.74Å; A114-L178 HydrophobicContact CB-CD1 4.35Å; R121-L178 VanDerWaalsContact CD-O 3.29Å; R121-L178 WeakPolarHBondContact CD-O 3.27Å; R121-L178 PolarHBondContact NH1-O 2.87Å; E174-L178 HydrophobicContact CG-CD1 4.18Å; E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 2.88Å; E175-L178 CarbonylContact O-C 3.58Å; E175-L178 PolarHBondContact O-N 3.15Å; E176-L178 PolarHBondContact O-N 2.94Å; L178-I180 HydrophobicContact CB-CD1 3.88Å; L178-I180 HydrophobicContact CB-CG1 4.07Å; L178-I180 HydrophobicContact CD1-CD1 4.21Å
179	G	72.5	Confident	80.1	Confident	67 Å²	67	65.6 Å²	65.6	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	23.8	179	0	0	0	0	0	114.3	E175 E176 Q177	E175-G179 PolarHBondContact O-N 3.44Å; E175-G179 VanDerWaalsContact O-N 3.13Å; E176-G179 PolarHBondContact O-N 3.08Å; Q177-G179 VanDerWaalsContact C-N 3.3Å
180	I	74.7	Confident	80	Confident	22 Å²	22	66.8 Å²	66.8	11%	0.113	37%	0.37	C	S	.	.			trans	-84.9	125.1	-178.8	-57.1	165.8	0	0	0	108.2	A114 V123 E175 L178	A114-I180 HydrophobicContact CB-CD1 3.7Å; V123-I180 HydrophobicContact CG2-CD1 3.88Å; V123-I180 HydrophobicContact CG2-CG1 4.45Å; V123-I180 HydrophobicContact CG2-CG2 3.76Å; E175-I180 HydrophobicContact CB-CB 4.33Å; E175-I180 HydrophobicContact CB-CD1 4.36Å; E175-I180 HydrophobicContact CG-CD1 4.24Å; E175-I180 PolarHBondContact O-N 3.21Å; L178-I180 HydrophobicContact CB-CD1 3.88Å; L178-I180 HydrophobicContact CB-CG1 4.07Å; L178-I180 HydrophobicContact CD1-CD1 4.21Å
181	S	73.8	Confident	79.5	Confident	56 Å²	56	69.3 Å²	69.3	39%	0.392	38%	0.38	S	S	.	.			trans	-61.8	141.6	175.1	-177.2	0	0	0	0	110.1	E183 S184 G185	S181-E183 WeakPolarHBondContact CB-OE1 3.39Å; S181-E183 PolarHBondContact O-N 3.07Å; S181-E183 WeakPolarHBondContact OG-CG 3.39Å; S181-E183 PolarHBondContact OG-OE1 2.9Å; S181-S184 CarbonylContact O-C 3.52Å; S181-S184 WeakPolarHBondContact O-CA 3.37Å; S181-S184 PolarHBondContact O-N 2.86Å; S181-G185 PolarHBondContact O-N 3.37Å
182	A	71.1	Confident	78.9	Confident	98 Å²	98	79.6 Å²	79.6	81%	0.81	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-56.6	-24.1	-179.2	0	0	0	0	0	113.3	S184	A182-S184 VanDerWaalsContact C-N 3.35Å
183	E	73.1	Confident	78	Confident	171 Å²	171	84 Å²	84	80%	0.799	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21	175.2	71.7	-152.1	143.4	0	0	114	S181	S181-E183 WeakPolarHBondContact CB-OE1 3.39Å; S181-E183 PolarHBondContact O-N 3.07Å; S181-E183 WeakPolarHBondContact OG-CG 3.39Å; S181-E183 PolarHBondContact OG-OE1 2.9Å
184	S	73.6	Confident	77.3	Confident	71 Å²	71	81.5 Å²	81.5	50%	0.497	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-105	9	178.1	-59.2	0	0	0	0	112.9	V123 S181 A182	V123-S184 VanDerWaalsContact CG2-O 3.22Å; V123-S184 WeakPolarHBondContact CG2-O 3.2Å; S181-S184 CarbonylContact O-C 3.52Å; S181-S184 WeakPolarHBondContact O-CA 3.37Å; S181-S184 PolarHBondContact O-N 2.86Å; A182-S184 VanDerWaalsContact C-N 3.35Å
185	G	77.1	Confident	76.9	Confident	23 Å²	23	84.6 Å²	84.6	24%	0.237	46%	0.456	C	S	.	.	S	Bend	trans	-70.8	163.8	179.9	0	0	0	0	0	113.4	S181	S181-G185 PolarHBondContact O-N 3.37Å
186	V	83.1	Confident	76.6	Confident	3 Å²	3	92.1 Å²	92.1	2%	0.018	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-69	138.6	-179.8	-178.2	0	0	0	0	110.8	L113 V123 V125 L128 R172 E175	L113-V186 HydrophobicContact CD1-CG2 4.02Å; V123-V186 HydrophobicContact CG1-CG2 3.47Å; V123-V186 VanDerWaalsContact CG1-CG2 3.47Å; V125-V186 HydrophobicContact CB-CG1 4.05Å; V125-V186 HydrophobicContact CB-CG2 3.87Å; V125-V186 HydrophobicContact CG1-CG1 3.58Å; V125-V186 HydrophobicContact CG1-CG2 4.3Å; L128-V186 HydrophobicContact CD1-CG1 3.83Å; L128-V186 HydrophobicContact CG-CG1 3.71Å; R172-V186 PolarHBondContact NH1-O 2.92Å; R172-V186 PolarHBondContact NH2-O 2.94Å; E175-V186 WeakPolarHBondContact OE1-CB 3.35Å; E175-V186 WeakPolarHBondContact OE1-CG2 3.12Å; E175-V186 PolarHBondContact OE1-N 2.79Å
187	S	83.1	Confident	76.2	Confident	61 Å²	61	88.1 Å²	88.1	43%	0.427	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.5	172	-176	0	0	0	0	110.7	E127 L128	E127-S187 CarbonylContact C-O 3.42Å; E127-S187 WeakPolarHBondContact CA-O 3.36Å; L128-S187 PolarHBondContact N-O 2.92Å
188	I	84.9	Confident	76.1	Confident	25 Å²	25	88 Å²	88	13%	0.128	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.4	179	-61.2	168.7	0	0	0	108.6	L128 I130 E168 I171 F190	L128-I188 HydrophobicContact CB-CG1 4.44Å; L128-I188 HydrophobicContact CD1-CG1 4.37Å; I130-I188 HydrophobicContact CD1-CG2 3.43Å; I130-I188 VanDerWaalsContact CD1-CG2 3.43Å; I130-I188 HydrophobicContact CG1-CG2 4.01Å; E168-I188 HydrophobicContact CB-CD1 4.21Å; E168-I188 HydrophobicContact CG-CD1 3.91Å; I171-I188 HydrophobicContact CB-CD1 4.46Å; I171-I188 HydrophobicContact CD1-CD1 4.25Å; I171-I188 HydrophobicContact CG2-CD1 4.43Å; I188-F190 HydrophobicContact CG2-CD2 4.49Å; I188-F190 HydrophobicContact CG2-CE2 3.93Å; I188-F190 HydrophobicContact CG2-CZ 4.1Å
189	V	84.7	Confident	76.2	Confident	54 Å²	54	91.6 Å²	91.6	33%	0.327	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.3	-176	-177.9	0	0	0	0	109.7	L128 L129 I130	L128-V189 PolarHBondContact O-N 3.36Å; L129-V189 WeakPolarHBondContact CA-O 3.37Å; L129-V189 HydrophobicContact CD2-CB 4.08Å; L129-V189 HydrophobicContact CD2-CG1 4.05Å; I130-V189 PolarHBondContact N-O 3.42Å
190	F	82.7	Confident	76.7	Confident	121 Å²	121	95.3 Å²	95.3	53%	0.531	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.6	175.1	-66.8	-85.1	0	0	0	110.8	I130 I188	I130-F190 HydrophobicContact CB-CD1 3.76Å; I130-F190 HydrophobicContact CB-CE1 3.89Å; I130-F190 HydrophobicContact CD1-CD1 4.48Å; I130-F190 HydrophobicContact CD1-CE1 3.81Å; I130-F190 HydrophobicContact CD1-CZ 4.04Å; I130-F190 HydrophobicContact CG1-CE1 4.36Å; I130-F190 HydrophobicContact CG2-CD1 3.95Å; I130-F190 HydrophobicContact CG2-CE1 3.85Å; I130-F190 WeakPolarHBondContact O-CA 3.37Å; I188-F190 HydrophobicContact CG2-CD2 4.49Å; I188-F190 HydrophobicContact CG2-CE2 3.93Å; I188-F190 HydrophobicContact CG2-CZ 4.1Å
191	Q	74.3	Confident	76.9	Confident	114 Å²	114	97.5 Å²	97.5	53%	0.533	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.9	177.7	-162	176	15.7	0	0	110.4	I130	I130-Q191 PolarHBondContact O-N 3.15Å
192	R	74.3	Confident	77.4	Confident	217 Å²	217	99.6 Å²	99.6	82%	0.819	50%	0.502	S	S	*	.			trans	-88.2	110.7	171	-176.4	176.9	-92.9	176.2	-5.5	109.1	S194	R192-S194 PolarHBondContact O-N 3.15Å
193	R	65.9	Low	77.9	Confident	170 Å²	170	97.5 Å²	97.5	64%	0.642	49%	0.485	S	S	*	.			trans	-60.4	111.3	176	-170.9	177.1	-175.9	177	2.4	109.8	N195	R193-N195 PolarHBondContact O-N 3.41Å
194	S	69.4	Low	78.5	Confident	80 Å²	80	94.2 Å²	94.2	56%	0.559	47%	0.468	S	S	*	.			trans	-85.9	110	178.3	-162.6	0	0	0	0	109.8	R192 W196 P197	R192-S194 PolarHBondContact O-N 3.15Å; S194-W196 PolarHBondContact O-N 2.87Å; S194-W196 VanDerWaalsContact OG-CD1 3.24Å; S194-P197 WeakPolarHBondContact O-CD 3.35Å
195	N	74.6	Confident	78.8	Confident	95 Å²	95	93.4 Å²	93.4	51%	0.508	46%	0.456	S	S	.	.			trans	-77.5	4.4	-178.6	-66.7	-21.9	0	0	0	113.3	R193 F198 L199	R193-N195 PolarHBondContact O-N 3.41Å; N195-F198 PolarHBondContact O-N 3.16Å; N195-L199 WeakPolarHBondContact O-CG 3.37Å; N195-L199 PolarHBondContact O-N 3Å
196	W	76	Confident	79	Confident	164 Å²	164	95.6 Å²	95.6	62%	0.621	47%	0.467	S	S	*	.	H	α-helix	trans	-56.2	-38.4	-178.8	85.9	-88	0	0	0	114.2	S194 F198 L199 F200	S194-W196 PolarHBondContact O-N 2.87Å; S194-W196 VanDerWaalsContact OG-CD1 3.24Å; W196-F198 VanDerWaalsContact C-N 3.32Å; W196-F198 PolarHBondContact O-N 3Å; W196-L199 PolarHBondContact O-N 3.43Å; W196-F200 HydrophobicContact CE3-CD2 4.42Å; W196-F200 HydrophobicContact CZ3-CD2 4.46Å; W196-F200 WeakPolarHBondContact O-CB 3.32Å; W196-F200 PolarHBondContact O-N 2.98Å
197	P	74.7	Confident	79	Confident	63 Å²	63	102.3 Å²	102.3	41%	0.409	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-38.3	180	-15.8	31.9	0	0	0	110.7	S194 F200 M201	S194-P197 WeakPolarHBondContact O-CD 3.35Å; P197-F200 PolarHBondContact O-N 3.23Å; P197-M201 WeakPolarHBondContact O-CB 3.44Å; P197-M201 PolarHBondContact O-N 3.35Å
198	F	76.3	Confident	78.9	Confident	142 Å²	142	101.7 Å²	101.7	62%	0.623	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-42.7	176.8	-176.9	-98.8	0	0	0	111.9	N195 W196 F200 M201 L202	N195-F198 PolarHBondContact O-N 3.16Å; W196-F198 VanDerWaalsContact C-N 3.32Å; W196-F198 PolarHBondContact O-N 3Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-M201 PolarHBondContact O-N 3.49Å; F198-L202 WeakPolarHBondContact O-CB 3.47Å; F198-L202 PolarHBondContact O-N 3.04Å
199	L	81.3	Confident	78.8	Confident	106 Å²	106	105.1 Å²	105.1	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-65	-38.3	175.9	-68.9	175.3	0	0	0	112.1	N195 W196 L202 A203	N195-L199 WeakPolarHBondContact O-CG 3.37Å; N195-L199 PolarHBondContact O-N 3Å; W196-L199 PolarHBondContact O-N 3.43Å; L199-L202 PolarHBondContact O-N 3.1Å; L199-A203 WeakPolarHBondContact O-CB 3.39Å; L199-A203 PolarHBondContact O-N 3.22Å
200	F	82.5	Confident	78.5	Confident	146 Å²	146	108.5 Å²	108.5	64%	0.64	51%	0.512	S	S	*	.	H	α-helix	trans	-65.6	-42.5	176.3	-142.9	-84.8	0	0	0	111.4	W196 P197 F198 A203 F204	W196-F200 HydrophobicContact CE3-CD2 4.42Å; W196-F200 HydrophobicContact CZ3-CD2 4.46Å; W196-F200 WeakPolarHBondContact O-CB 3.32Å; W196-F200 PolarHBondContact O-N 2.98Å; P197-F200 PolarHBondContact O-N 3.23Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F200-A203 PolarHBondContact O-N 3.13Å; F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3.3Å
201	M	78.7	Confident	78.4	Confident	67 Å²	67	109.5 Å²	109.5	33%	0.33	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-47	176.5	-150.8	-89.6	-144.4	0	0	110.4	A86 P197 F198 A203 F204 F205	A86-M201 HydrophobicContact CB-CE 3.79Å; P197-M201 WeakPolarHBondContact O-CB 3.44Å; P197-M201 PolarHBondContact O-N 3.35Å; F198-M201 PolarHBondContact O-N 3.49Å; M201-A203 VanDerWaalsContact C-N 3.35Å; M201-A203 PolarHBondContact O-N 3.06Å; M201-F204 PolarHBondContact O-N 3.49Å; M201-F205 HydrophobicContact CE-CD2 4.41Å; M201-F205 HydrophobicContact CE-CE2 3.82Å; M201-F205 HydrophobicContact CG-CD2 4.3Å; M201-F205 HydrophobicContact CG-CE2 4.26Å; M201-F205 VanDerWaalsContact O-CD2 3.29Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.88Å; M201-F205 HydrophobicContact SD-CD2 3.31Å; M201-F205 WeakPolarHBondContact SD-CD2 3.47Å; M201-F205 HydrophobicContact SD-CE2 3.29Å; M201-F205 WeakPolarHBondContact SD-CE2 3.25Å; M201-F205 HydrophobicContact SD-CG 4.48Å; M201-F205 HydrophobicContact SD-CZ 4.44Å
202	L	83.2	Confident	78.5	Confident	101 Å²	101	106.1 Å²	106.1	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-59.2	-43.3	174.8	-171	74.8	0	0	0	112.4	F198 L199 F205 S206	F198-L202 WeakPolarHBondContact O-CB 3.47Å; F198-L202 PolarHBondContact O-N 3.04Å; L199-L202 PolarHBondContact O-N 3.1Å; L202-F205 PolarHBondContact O-N 3.06Å; L202-S206 WeakPolarHBondContact O-CB 3.42Å; L202-S206 PolarHBondContact O-N 3.4Å
203	A	81.5	Confident	78.5	Confident	54 Å²	54	101.2 Å²	101.2	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-45.8	177.9	0	0	0	0	0	111.5	L199 F200 M201 S206 Y207	L199-A203 WeakPolarHBondContact O-CB 3.39Å; L199-A203 PolarHBondContact O-N 3.22Å; F200-A203 PolarHBondContact O-N 3.13Å; M201-A203 VanDerWaalsContact C-N 3.35Å; M201-A203 PolarHBondContact O-N 3.06Å; A203-S206 PolarHBondContact O-N 3.34Å; A203-S206 PolarHBondContact O-OG 3.01Å; A203-Y207 WeakPolarHBondContact O-CB 3.26Å; A203-Y207 PolarHBondContact O-N 3.01Å
204	F	86	Confident	78.8	Confident	102 Å²	102	99.2 Å²	99.2	45%	0.447	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-44.4	176.7	-178.2	-99.7	0	0	0	112.2	F200 M201 Y207 M208	F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3.3Å; M201-F204 PolarHBondContact O-N 3.49Å; F204-Y207 PolarHBondContact O-N 2.79Å; F204-M208 HydrophobicContact CE1-CG 4.16Å; F204-M208 HydrophobicContact CZ-CG 4.28Å; F204-M208 PolarHBondContact O-N 3.32Å
205	F	81	Confident	78.6	Confident	54 Å²	54	98.8 Å²	98.8	24%	0.237	48%	0.482	C	S	.	.	H	α-helix	trans	-65.2	-41.9	175.2	-89.6	-86.3	0	0	0	112.4	A86 M201 L202 Y207 M208 I209	A86-F205 HydrophobicContact CB-CE1 4.33Å; A86-F205 HydrophobicContact CB-CE2 3.85Å; A86-F205 HydrophobicContact CB-CZ 3.34Å; M201-F205 HydrophobicContact CE-CD2 4.41Å; M201-F205 HydrophobicContact CE-CE2 3.82Å; M201-F205 HydrophobicContact CG-CD2 4.3Å; M201-F205 HydrophobicContact CG-CE2 4.26Å; M201-F205 VanDerWaalsContact O-CD2 3.29Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.88Å; M201-F205 HydrophobicContact SD-CD2 3.31Å; M201-F205 WeakPolarHBondContact SD-CD2 3.47Å; M201-F205 HydrophobicContact SD-CE2 3.29Å; M201-F205 WeakPolarHBondContact SD-CE2 3.25Å; M201-F205 HydrophobicContact SD-CG 4.48Å; M201-F205 HydrophobicContact SD-CZ 4.44Å; L202-F205 PolarHBondContact O-N 3.06Å; F205-Y207 VanDerWaalsContact C-N 3.29Å; F205-Y207 PolarHBondContact O-N 2.94Å; F205-M208 PolarHBondContact O-N 2.84Å; F205-I209 WeakPolarHBondContact O-CG1 3.19Å; F205-I209 PolarHBondContact O-N 2.77Å
206	S	80	Confident	77.8	Confident	69 Å²	69	97.3 Å²	97.3	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-37.8	176.1	88.1	0	0	0	0	111.7	L202 A203 F210	L202-S206 WeakPolarHBondContact O-CB 3.42Å; L202-S206 PolarHBondContact O-N 3.4Å; A203-S206 PolarHBondContact O-N 3.34Å; A203-S206 PolarHBondContact O-OG 3.01Å; S206-F210 VanDerWaalsContact O-CB 3.24Å; S206-F210 WeakPolarHBondContact O-CB 3.4Å; S206-F210 PolarHBondContact O-N 3.13Å
207	Y	84.7	Confident	76.6	Confident	143 Å²	143	92.7 Å²	92.7	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-42.4	176.1	175.6	-100.2	0	0	0	111.7	A203 F204 F205 F210 R211	A203-Y207 WeakPolarHBondContact O-CB 3.26Å; A203-Y207 PolarHBondContact O-N 3.01Å; F204-Y207 PolarHBondContact O-N 2.79Å; F205-Y207 VanDerWaalsContact C-N 3.29Å; F205-Y207 PolarHBondContact O-N 2.94Å; Y207-F210 PolarHBondContact O-N 3.19Å; Y207-R211 WeakPolarHBondContact O-CB 3.31Å; Y207-R211 PolarHBondContact O-N 3.25Å
208	M	81.2	Confident	75.2	Confident	48 Å²	48	98.6 Å²	98.6	24%	0.236	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-44.2	175.8	-80.3	-64.5	-61.9	0	0	112.3	T82 F204 F205 R211 T212	T82-M208 HydrophobicContact CG2-CE 3.58Å; F204-M208 HydrophobicContact CE1-CG 4.16Å; F204-M208 HydrophobicContact CZ-CG 4.28Å; F204-M208 PolarHBondContact O-N 3.32Å; F205-M208 PolarHBondContact O-N 2.84Å; M208-R211 PolarHBondContact O-N 2.95Å; M208-T212 WeakPolarHBondContact O-CG2 3.35Å; M208-T212 PolarHBondContact O-N 3.17Å; M208-T212 PolarHBondContact O-OG1 2.95Å
209	I	81	Confident	73.4	Confident	97 Å²	97	94.2 Å²	94.2	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-41.6	175.6	-67.6	164.1	0	0	0	110.8	F205 T212 L213	F205-I209 WeakPolarHBondContact O-CG1 3.19Å; F205-I209 PolarHBondContact O-N 2.77Å; I209-T212 PolarHBondContact O-N 2.89Å; I209-T212 PolarHBondContact O-OG1 2.89Å; I209-L213 HydrophobicContact CG2-CD1 3.71Å; I209-L213 HydrophobicContact CG2-CG 4.48Å; I209-L213 WeakPolarHBondContact O-CB 3.43Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.28Å
210	F	79.7	Confident	71.6	Confident	125 Å²	125	93.4 Å²	93.4	55%	0.548	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-40.3	176.5	-174.5	-99.4	0	0	0	111.6	S206 Y207 L213 F214	S206-F210 VanDerWaalsContact O-CB 3.24Å; S206-F210 WeakPolarHBondContact O-CB 3.4Å; S206-F210 PolarHBondContact O-N 3.13Å; Y207-F210 PolarHBondContact O-N 3.19Å; F210-L213 PolarHBondContact O-N 3.24Å; F210-F214 HydrophobicContact CE1-CB 4.4Å; F210-F214 HydrophobicContact CE1-CD2 4.35Å; F210-F214 HydrophobicContact CE1-CG 4.42Å; F210-F214 HydrophobicContact CZ-CD2 4.01Å; F210-F214 WeakPolarHBondContact O-CB 3.43Å; F210-F214 PolarHBondContact O-N 2.84Å
211	R	79.7	Confident	69.5	Low	143 Å²	143	95.4 Å²	95.4	54%	0.54	52%	0.517	S	S	.	.	H	α-helix	trans	-65.8	-41.1	178	-157.9	-167.6	102.2	85.1	1.6	111.9	Y207 M208 S215	Y207-R211 WeakPolarHBondContact O-CB 3.31Å; Y207-R211 PolarHBondContact O-N 3.25Å; M208-R211 PolarHBondContact O-N 2.95Å; R211-S215 VanDerWaalsContact O-CB 3.27Å; R211-S215 WeakPolarHBondContact O-CB 3.47Å; R211-S215 PolarHBondContact O-N 3.24Å
212	T	76	Confident	67.7	Low	43 Å²	43	104 Å²	104	26%	0.264	55%	0.545	S	S	.	.	H	α-helix	trans	-67.3	-44.4	176.2	52.8	0	0	0	0	111.2	L75 M208 I209 I216	L75-T212 HydrophobicContact CD1-CG2 4.17Å; M208-T212 WeakPolarHBondContact O-CG2 3.35Å; M208-T212 PolarHBondContact O-N 3.17Å; M208-T212 PolarHBondContact O-OG1 2.95Å; I209-T212 PolarHBondContact O-N 2.89Å; I209-T212 PolarHBondContact O-OG1 2.89Å; T212-I216 VanDerWaalsContact O-CD1 3.27Å; T212-I216 WeakPolarHBondContact O-CD1 3.4Å; T212-I216 VanDerWaalsContact O-CG1 3.23Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 3.22Å
213	L	74.7	Confident	65.7	Low	114 Å²	114	104.1 Å²	104.1	60%	0.597	55%	0.546	S	S	*	.	H	α-helix	trans	-64.6	-39.9	175.7	-73.5	166.3	0	0	0	112.9	I209 F210 I216 G217	I209-L213 HydrophobicContact CG2-CD1 3.71Å; I209-L213 HydrophobicContact CG2-CG 4.48Å; I209-L213 WeakPolarHBondContact O-CB 3.43Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.28Å; F210-L213 PolarHBondContact O-N 3.24Å; L213-I216 PolarHBondContact O-N 3.22Å; L213-G217 PolarHBondContact O-N 3.06Å
214	F	71.6	Confident	64	Low	127 Å²	127	106.6 Å²	106.6	56%	0.557	56%	0.56	S	S	*	*	H	α-helix	trans	-76.2	-31.7	-178.7	-157.8	-98.7	0	0	0	112.7	F210 I216 G217	F210-F214 HydrophobicContact CE1-CB 4.4Å; F210-F214 HydrophobicContact CE1-CD2 4.35Å; F210-F214 HydrophobicContact CE1-CG 4.42Å; F210-F214 HydrophobicContact CZ-CD2 4.01Å; F210-F214 WeakPolarHBondContact O-CB 3.43Å; F210-F214 PolarHBondContact O-N 2.84Å; F214-I216 VanDerWaalsContact C-N 3.26Å; F214-I216 PolarHBondContact O-N 2.93Å; F214-G217 PolarHBondContact O-N 2.65Å
215	S	65	Low	61.8	Low	71 Å²	71	108.5 Å²	108.5	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-65.8	-29.7	171.6	-166.7	0	0	0	0	112.2	R211 G217	R211-S215 VanDerWaalsContact O-CB 3.27Å; R211-S215 WeakPolarHBondContact O-CB 3.47Å; R211-S215 PolarHBondContact O-N 3.24Å; S215-G217 VanDerWaalsContact C-N 3.35Å
216	I	57.9	Low	60.1	Low	65 Å²	65	110 Å²	110	33%	0.333	59%	0.587	S	S	.	*	H	α-helix	trans	-75.8	-25.5	175	-66	163.4	0	0	0	111.3	T212 L213 F214 K218 L223	T212-I216 VanDerWaalsContact O-CD1 3.27Å; T212-I216 WeakPolarHBondContact O-CD1 3.4Å; T212-I216 VanDerWaalsContact O-CG1 3.23Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 3.22Å; L213-I216 PolarHBondContact O-N 3.22Å; F214-I216 VanDerWaalsContact C-N 3.26Å; F214-I216 PolarHBondContact O-N 2.93Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.47Å; I216-L223 HydrophobicContact CD1-CD1 4.41Å
217	G	51.1	Low	58.8	Low	66 Å²	66	112.7 Å²	112.7	68%	0.68	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-14.6	-176.3	0	0	0	0	0	116.2	L213 F214 S215	L213-G217 PolarHBondContact O-N 3.06Å; F214-G217 PolarHBondContact O-N 2.65Å; S215-G217 VanDerWaalsContact C-N 3.35Å
218	K	46.1	Very low	57.5	Low	188 Å²	188	111.4 Å²	111.4	82%	0.817	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	3.6	179.8	-80	-171.4	173.8	-180	0	115.2	I216	I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.47Å
219	G	39.4	Very low	56.4	Low	50 Å²	50	117.8 Å²	117.8	52%	0.515	62%	0.621	S	S	.	*	S	Bend	trans	-144.3	100.8	174.9	0	0	0	0	0	111.1	K221	G219-K221 VanDerWaalsContact C-N 3.33Å; G219-K221 PolarHBondContact O-N 3.29Å
220	G	41.6	Very low	55.4	Low	89 Å²	89	114.5 Å²	114.5	92%	0.918	61%	0.61	S	S	*	*			trans	-67.3	71.8	-169.8	0	0	0	0	0	116.2
221	K	38.7	Very low	54.7	Low	188 Å²	188	114 Å²	114	82%	0.817	61%	0.613	S	S	*	*			trans	-115.8	107.6	157.8	-74.9	-175.9	-179.9	176.8	0	108.8	G219 L223	G219-K221 VanDerWaalsContact C-N 3.33Å; G219-K221 PolarHBondContact O-N 3.29Å; K221-L223 PolarHBondContact O-N 3.48Å; K221-L223 VanDerWaalsContact O-N 3.11Å
222	R	40.7	Very low	53.9	Low	247 Å²	247	111.1 Å²	111.1	93%	0.932	61%	0.608	S	S	*	*			trans	-48.7	116.4	174.4	-68.9	180	-180	178	0.3	108.4	S224	R222-S224 VanDerWaalsContact C-N 3.31Å; R222-S224 PolarHBondContact O-N 3.23Å
223	L	42.3	Very low	52.9	Low	103 Å²	103	114.6 Å²	114.6	54%	0.539	62%	0.616	S	S	.	*			trans	-62.7	94	171.7	-142.8	87	0	0	0	107.3	I216 K221 M225	I216-L223 HydrophobicContact CD1-CD1 4.41Å; K221-L223 PolarHBondContact O-N 3.48Å; K221-L223 VanDerWaalsContact O-N 3.11Å; L223-M225 PolarHBondContact O-N 2.64Å; L223-M225 VanDerWaalsContact O-N 3.12Å
224	S	44.6	Very low	52.5	Low	106 Å²	106	115.6 Å²	115.6	74%	0.741	62%	0.616	S	S	*	*			trans	-70.6	104.2	164.8	-167	0	0	0	0	105.7	R222 P226	R222-S224 VanDerWaalsContact C-N 3.31Å; R222-S224 PolarHBondContact O-N 3.23Å; S224-P226 WeakPolarHBondContact O-CD 3.5Å; S224-P226 VanDerWaalsContact O-N 3.15Å
225	M	39.8	Very low	52	Low	143 Å²	143	109.9 Å²	109.9	70%	0.704	59%	0.592	S	S	*	*			trans	-49.4	121.3	165.7	-74	-75.7	-82.9	0	0	107.3	L223	L223-M225 PolarHBondContact O-N 2.64Å; L223-M225 VanDerWaalsContact O-N 3.12Å
226	P	46.3	Very low	52.1	Low	84 Å²	84	113.8 Å²	113.8	55%	0.545	60%	0.603	S	S	.	*			trans	-59.9	145.2	176.6	-19.1	30.6	0	0	0	109.7	S224 I228	S224-P226 WeakPolarHBondContact O-CD 3.5Å; S224-P226 VanDerWaalsContact O-N 3.15Å; P226-I228 PolarHBondContact O-N 2.95Å
227	D	53.4	Low	52.6	Low	127 Å²	127	113.1 Å²	113.1	68%	0.679	60%	0.596	S	S	*	*	S	Bend	trans	-56.1	39.2	-174.4	-81.5	-49.2	0	0	0	117.2	Y229 G230 N231	D227-Y229 VanDerWaalsContact C-N 3.31Å; D227-Y229 PolarHBondContact O-N 2.7Å; D227-G230 PolarHBondContact O-N 3.11Å; D227-G230 VanDerWaalsContact O-N 3.15Å; D227-N231 PolarHBondContact O-N 2.75Å
228	I	57	Low	53.6	Low	116 Å²	116	117.8 Å²	117.8	60%	0.595	59%	0.594	S	S	*	*	H	α-helix	trans	-59.4	-44.9	174.8	-62.3	172.8	0	0	0	109.7	P226 G230 L232	P226-I228 PolarHBondContact O-N 2.95Å; I228-G230 VanDerWaalsContact C-N 3.33Å; I228-G230 PolarHBondContact O-N 3.02Å; I228-L232 HydrophobicContact CG2-CD1 3.94Å; I228-L232 WeakPolarHBondContact O-CD1 3.33Å; I228-L232 WeakPolarHBondContact O-CG 3.29Å; I228-L232 PolarHBondContact O-N 3.45Å
229	Y	57.9	Low	54.6	Low	182 Å²	182	112.5 Å²	112.5	71%	0.714	57%	0.573	S	S	*	*	H	α-helix	trans	-66.8	-31.5	175.8	-84.4	-84.1	0	0	0	113.1	D227 R233	D227-Y229 VanDerWaalsContact C-N 3.31Å; D227-Y229 PolarHBondContact O-N 2.7Å; Y229-R233 WeakPolarHBondContact O-CG 3.44Å; Y229-R233 PolarHBondContact O-N 3.27Å
230	G	59.6	Low	55.9	Low	27 Å²	27	111.8 Å²	111.8	28%	0.278	56%	0.557	S	S	.	*	H	α-helix	trans	-70.6	-43	179.7	0	0	0	0	0	112.5	D227 I228 R233 K234	D227-G230 PolarHBondContact O-N 3.11Å; D227-G230 VanDerWaalsContact O-N 3.15Å; I228-G230 VanDerWaalsContact C-N 3.33Å; I228-G230 PolarHBondContact O-N 3.02Å; G230-R233 PolarHBondContact O-N 3.22Å; G230-K234 PolarHBondContact O-N 3.07Å
231	N	66	Low	56.6	Low	114 Å²	114	109 Å²	109	61%	0.61	52%	0.524	S	S	*	.	H	α-helix	trans	-71.9	-31.2	178.9	-72	-18.5	0	0	0	112.9	D227 R233	D227-N231 PolarHBondContact O-N 2.75Å; N231-R233 VanDerWaalsContact C-N 3.32Å
232	L	61.5	Low	57.4	Low	83 Å²	83	101.6 Å²	101.6	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-70.9	-26.2	173.6	-73.9	163.3	0	0	0	113.2	I228 R334	I228-L232 HydrophobicContact CG2-CD1 3.94Å; I228-L232 WeakPolarHBondContact O-CD1 3.33Å; I228-L232 WeakPolarHBondContact O-CG 3.29Å; I228-L232 PolarHBondContact O-N 3.45Å; L232-R334 PolarHBondContact O-NH2 3.12Å
233	R	56	Low	58	Low	116 Å²	116	97.7 Å²	97.7	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-77.6	-33.4	-179.1	-80.4	177.5	72.4	-179.7	2.9	114.4	Y229 G230 N231 A235 L330 R334	Y229-R233 WeakPolarHBondContact O-CG 3.44Å; Y229-R233 PolarHBondContact O-N 3.27Å; G230-R233 PolarHBondContact O-N 3.22Å; N231-R233 VanDerWaalsContact C-N 3.32Å; R233-A235 PolarHBondContact O-N 3.4Å; R233-L330 HydrophobicContact CB-CD1 4.37Å; R233-L330 HydrophobicContact CG-CD1 3.75Å; R233-R334 WeakPolarHBondContact O-CG 3.2Å
234	K	66.5	Low	58.3	Low	135 Å²	135	96.2 Å²	96.2	59%	0.587	48%	0.48	S	S	*	.	S	Bend	trans	-66.6	118.5	-178.6	-73.9	-178.1	-179.6	175.2	0	110.2	G230	G230-K234 PolarHBondContact O-N 3.07Å
235	A	59.8	Low	58.3	Low	8 Å²	8	101.6 Å²	101.6	7%	0.066	49%	0.49	C	S	.	.			trans	-61.9	135.7	168.2	0	0	0	0	0	110.1	R233 Y237 I318 R334	R233-A235 PolarHBondContact O-N 3.4Å; A235-Y237 HydrophobicContact CB-CD1 4.05Å; A235-Y237 VanDerWaalsContact O-CD1 3.3Å; A235-Y237 WeakPolarHBondContact O-CD1 3.24Å; A235-Y237 PolarHBondContact O-N 3.36Å; A235-Y237 VanDerWaalsContact O-N 3.15Å; A235-I318 HydrophobicContact CB-CD1 4.2Å; A235-R334 HydrophobicContact CB-CB 3.92Å; A235-R334 HydrophobicContact CB-CG 3.93Å
236	Q	68.2	Low	58.5	Low	152 Å²	152	98.7 Å²	98.7	71%	0.71	48%	0.484	S	S	*	.			trans	-83.9	58.8	173.4	-61.6	-68.5	-44.1	0	0	110.2	E322	Q236-E322 VanDerWaalsContact CA-OE1 3.31Å; Q236-E322 WeakPolarHBondContact CA-OE1 3.25Å; Q236-E322 WeakPolarHBondContact CB-OE1 3.47Å; Q236-E322 PolarHBondContact N-OE1 3.43Å
237	Y	68.8	Low	58.5	Low	52 Å²	52	98.7 Å²	98.7	20%	0.204	50%	0.499	C	S	.	.			trans	-80	146.7	174.7	62.5	-82.1	0	0	0	111.4	A235 I239 L316 L338 E341	A235-Y237 HydrophobicContact CB-CD1 4.05Å; A235-Y237 VanDerWaalsContact O-CD1 3.3Å; A235-Y237 WeakPolarHBondContact O-CD1 3.24Å; A235-Y237 PolarHBondContact O-N 3.36Å; A235-Y237 VanDerWaalsContact O-N 3.15Å; Y237-I239 HydrophobicContact CD2-CD1 4.42Å; Y237-I239 HydrophobicContact CD2-CG1 3.7Å; Y237-I239 HydrophobicContact CE2-CD1 3.58Å; Y237-I239 HydrophobicContact CE2-CG1 3.34Å; Y237-L316 HydrophobicContact CD2-CD2 3.85Å; Y237-L316 HydrophobicContact CE2-CD2 3.81Å; Y237-L338 HydrophobicContact CG-CD1 4.21Å; Y237-E341 HydrophobicContact CE2-CB 4.42Å; Y237-E341 WeakPolarHBondContact OH-CG 3.16Å; Y237-E341 PolarHBondContact OH-OE2 3.21Å
238	R	72.3	Confident	58.4	Low	164 Å²	164	95 Å²	95	62%	0.619	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	116	176.2	-170.6	-178.5	-122.5	-146.1	1.7	110.1	I240 A317	R238-I240 HydrophobicContact CG-CG1 4.15Å; R238-A317 PolarHBondContact N-O 2.94Å; R238-A317 PolarHBondContact O-N 3.29Å; R238-A317 VanDerWaalsContact O-N 3.14Å
239	I	67.3	Low	58.2	Low	77 Å²	77	94.2 Å²	94.2	40%	0.395	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.2	172.3	-53.8	173	0	0	0	108.8	Y237 L345	Y237-I239 HydrophobicContact CD2-CD1 4.42Å; Y237-I239 HydrophobicContact CD2-CG1 3.7Å; Y237-I239 HydrophobicContact CE2-CD1 3.58Å; Y237-I239 HydrophobicContact CE2-CG1 3.34Å; I239-L345 HydrophobicContact CG2-CD1 4.35Å
240	I	65.2	Low	58.8	Low	34 Å²	34	93.2 Å²	93.2	17%	0.174	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.9	169.2	-57.3	175.9	0	0	0	106.4	R238 V248 F315	R238-I240 HydrophobicContact CG-CG1 4.15Å; I240-V248 HydrophobicContact CD1-CG1 4.38Å; I240-V248 HydrophobicContact CD1-CG2 4.34Å; I240-V248 HydrophobicContact CG1-CG2 4.39Å; I240-V248 HydrophobicContact CG2-CB 4.43Å; I240-V248 HydrophobicContact CG2-CG2 4.48Å; I240-F315 HydrophobicContact CB-CB 4.28Å; I240-F315 HydrophobicContact CB-CD1 4.39Å; I240-F315 HydrophobicContact CD1-CD1 3.98Å; I240-F315 HydrophobicContact CD1-CE1 4.44Å; I240-F315 HydrophobicContact CG1-CD1 4.48Å; I240-F315 PolarHBondContact N-O 3.39Å; I240-F315 PolarHBondContact O-N 3.42Å
241	S	57.8	Low	59.8	Low	32 Å²	32	93.5 Å²	93.5	22%	0.224	48%	0.478	C	S	.	.			trans	-90.7	126.6	172.8	48.9	0	0	0	0	109.2	F243 T244	S241-F243 PolarHBondContact O-N 3.15Å; S241-F243 VanDerWaalsContact O-N 3.15Å; S241-T244 PolarHBondContact O-N 3.25Å; S241-T244 WeakPolarHBondContact OG-CG2 3.41Å; S241-T244 PolarHBondContact OG-OG1 2.75Å
242	P	54.6	Low	60.6	Low	31 Å²	31	94 Å²	94	20%	0.201	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.5	179.7	24.5	-32.7	0	0	0	112.7	S312 V313	P242-S312 WeakPolarHBondContact CG-O 3.46Å; P242-V313 WeakPolarHBondContact CD-O 3.47Å
243	F	52.4	Low	61.6	Low	165 Å²	165	91.8 Å²	91.8	72%	0.724	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-24	-176.7	-57.4	-71.2	0	0	0	114.4	S241	S241-F243 PolarHBondContact O-N 3.15Å; S241-F243 VanDerWaalsContact O-N 3.15Å
244	T	49.8	Very low	62.9	Low	72 Å²	72	90.4 Å²	90.4	44%	0.442	47%	0.47	S	S	.	.	S	Bend	trans	-90.9	137.2	178.6	63.9	0	0	0	0	109.9	S241 S246	S241-T244 PolarHBondContact O-N 3.25Å; S241-T244 WeakPolarHBondContact OG-CG2 3.41Å; S241-T244 PolarHBondContact OG-OG1 2.75Å; T244-S246 WeakPolarHBondContact CB-OG 3.31Å; T244-S246 PolarHBondContact O-N 2.81Å; T244-S246 PolarHBondContact OG1-OG 3.03Å
245	K	44.6	Very low	63.7	Low	219 Å²	219	86.5 Å²	86.5	95%	0.952	46%	0.456	S	S	*	.			trans	-67.5	29.6	173	-65.3	-177.2	178.8	179.1	0	112.5	G247	K245-G247 PolarHBondContact O-N 3.35Å
246	S	43.9	Very low	64.9	Low	82 Å²	82	86.3 Å²	86.3	57%	0.573	45%	0.453	S	S	*	.			trans	-81.7	85.8	-175.4	-53.7	0	0	0	0	109.4	T244 V248	T244-S246 WeakPolarHBondContact CB-OG 3.31Å; T244-S246 PolarHBondContact O-N 2.81Å; T244-S246 PolarHBondContact OG1-OG 3.03Å; S246-V248 PolarHBondContact O-N 3.34Å
247	G	45.5	Very low	65.7	Low	84 Å²	84	80.5 Å²	80.5	87%	0.866	43%	0.428	S	S	*	.	S	Bend	trans	53.7	-7.8	147.9	0	0	0	0	0	121.8	K245	K245-G247 PolarHBondContact O-N 3.35Å
248	V	51.4	Low	66.6	Low	49 Å²	49	78.1 Å²	78.1	30%	0.297	42%	0.42	S	S	.	.			trans	-99.1	124.6	179.5	-174.1	0	0	0	0	108.2	I240 S246 K250	I240-V248 HydrophobicContact CD1-CG1 4.38Å; I240-V248 HydrophobicContact CD1-CG2 4.34Å; I240-V248 HydrophobicContact CG1-CG2 4.39Å; I240-V248 HydrophobicContact CG2-CB 4.43Å; I240-V248 HydrophobicContact CG2-CG2 4.48Å; S246-V248 PolarHBondContact O-N 3.34Å; V248-K250 PolarHBondContact O-N 3.24Å
249	P	52.5	Low	67.2	Low	101 Å²	101	71.3 Å²	71.3	66%	0.656	40%	0.396	S	S	*	.			trans	-56.3	130.6	174.6	20.8	-29.8	0	0	0	109.3	I251	P249-I251 VanDerWaalsContact C-N 3.27Å; P249-I251 PolarHBondContact O-N 3.05Å
250	K	70.2	Confident	68.2	Low	160 Å²	160	72.6 Å²	72.6	70%	0.696	40%	0.4	S	S	*	.			trans	-65.9	90.3	172.6	-70.8	-176.5	177	-173.1	0	107.7	V248 K252	V248-K250 PolarHBondContact O-N 3.24Å; K250-K252 PolarHBondContact O-N 3.09Å
251	I	81.2	Confident	69.3	Low	33 Å²	33	77.2 Å²	77.2	17%	0.169	42%	0.421	C	S	.	.			trans	-67.2	115.7	174.5	-62	162	0	0	0	106.4	P249 D255 K305 A306 S309	P249-I251 VanDerWaalsContact C-N 3.27Å; P249-I251 PolarHBondContact O-N 3.05Å; I251-D255 HydrophobicContact CG2-CB 4.27Å; I251-K305 HydrophobicContact CD1-CB 4.01Å; I251-K305 HydrophobicContact CD1-CD 3.87Å; I251-A306 HydrophobicContact CG2-CB 4.15Å; I251-S309 WeakPolarHBondContact O-CB 3.42Å; I251-S309 PolarHBondContact O-OG 3Å
252	K	82.7	Confident	70.8	Confident	126 Å²	126	75.9 Å²	75.9	55%	0.548	41%	0.412	S	S	.	.			trans	-90	161.1	175.8	-68.7	-175.6	178.2	-174.8	0	110.2	K250 S254 D255	K250-K252 PolarHBondContact O-N 3.09Å; K252-S254 WeakPolarHBondContact CB-OG 3.3Å; K252-S254 PolarHBondContact O-N 3.05Å; K252-D255 PolarHBondContact N-OD2 3Å; K252-D255 WeakPolarHBondContact O-CB 3.36Å; K252-D255 PolarHBondContact O-N 3.14Å
253	F	83.1	Confident	72.5	Confident	35 Å²	35	75.4 Å²	75.4	15%	0.154	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.5	171.7	-148.6	-108.2	0	0	0	112.5	D255 V256 K263 M267 A306 V307	F253-D255 VanDerWaalsContact C-N 3.27Å; F253-D255 PolarHBondContact O-N 3.3Å; F253-V256 WeakPolarHBondContact O-CB 3.5Å; F253-V256 PolarHBondContact O-N 3.1Å; F253-K263 HydrophobicContact CD1-CD 4.18Å; F253-K263 HydrophobicContact CD1-CG 4.43Å; F253-K263 HydrophobicContact CE1-CB 3.62Å; F253-K263 HydrophobicContact CE1-CD 3.46Å; F253-K263 VanDerWaalsContact CE1-CD 3.46Å; F253-K263 HydrophobicContact CE1-CG 3.42Å; F253-K263 VanDerWaalsContact CE1-CG 3.42Å; F253-K263 HydrophobicContact CE2-CG 4.14Å; F253-K263 HydrophobicContact CZ-CB 3.42Å; F253-K263 VanDerWaalsContact CZ-CB 3.42Å; F253-K263 HydrophobicContact CZ-CD 3.89Å; F253-K263 HydrophobicContact CZ-CG 3.27Å; F253-M267 HydrophobicContact CE1-CG 4.29Å; F253-M267 HydrophobicContact CE1-SD 4.23Å; F253-M267 HydrophobicContact CE2-SD 4.27Å; F253-M267 HydrophobicContact CZ-CG 3.9Å; F253-M267 HydrophobicContact CZ-SD 3.94Å; F253-A306 HydrophobicContact CD2-CB 4.21Å; F253-V307 HydrophobicContact CE2-CG2 4.27Å
254	S	82.7	Confident	74.4	Confident	88 Å²	88	72.6 Å²	72.6	62%	0.615	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-66.9	-22.3	172.4	59.9	0	0	0	0	114.4	K252 V256	K252-S254 WeakPolarHBondContact CB-OG 3.3Å; K252-S254 PolarHBondContact O-N 3.05Å; S254-V256 VanDerWaalsContact C-N 3.32Å
255	D	83.8	Confident	76.3	Confident	53 Å²	53	72.5 Å²	72.5	28%	0.283	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-82.3	-16.6	176.1	-58.9	-39.3	0	0	0	111.6	I251 K252 F253 V257	I251-D255 HydrophobicContact CG2-CB 4.27Å; K252-D255 PolarHBondContact N-OD2 3Å; K252-D255 WeakPolarHBondContact O-CB 3.36Å; K252-D255 PolarHBondContact O-N 3.14Å; F253-D255 VanDerWaalsContact C-N 3.27Å; F253-D255 PolarHBondContact O-N 3.3Å; D255-V257 PolarHBondContact O-N 3.32Å
256	V	85.4	Confident	78.4	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	35%	0.352	C	S	.	.	S	Bend	trans	-82.4	107.1	171.4	-166.2	0	0	0	0	107.1	F253 S254 L259 K263 L302 A306	F253-V256 WeakPolarHBondContact O-CB 3.5Å; F253-V256 PolarHBondContact O-N 3.1Å; S254-V256 VanDerWaalsContact C-N 3.32Å; V256-L259 HydrophobicContact CG1-CD1 4.05Å; V256-K263 WeakPolarHBondContact O-CE 3.48Å; V256-K263 PolarHBondContact O-NZ 3.27Å; V256-L302 HydrophobicContact CB-CD2 3.88Å; V256-L302 HydrophobicContact CG1-CD2 3.74Å; V256-L302 HydrophobicContact CG2-CD2 3.42Å; V256-L302 VanDerWaalsContact CG2-CD2 3.42Å; V256-A306 HydrophobicContact CG2-CB 3.47Å; V256-A306 VanDerWaalsContact CG2-CB 3.47Å
257	V	85.1	Confident	80.6	Confident	31 Å²	31	60.7 Å²	60.7	19%	0.188	34%	0.337	C	S	.	.			trans	-90.7	139.2	179	-176	0	0	0	0	109.4	D255 E452 I453 Y456	D255-V257 PolarHBondContact O-N 3.32Å; V257-E452 HydrophobicContact CG1-CB 3.26Å; V257-E452 HydrophobicContact CG1-CG 4.45Å; V257-I453 HydrophobicContact CB-CG1 4.13Å; V257-I453 HydrophobicContact CG1-CG1 3.97Å; V257-Y456 HydrophobicContact CG2-CD1 4.31Å; V257-Y456 HydrophobicContact CG2-CD2 3.96Å; V257-Y456 HydrophobicContact CG2-CG 3.78Å
258	G	86.4	Confident	82.6	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	67.4	-152.5	-173.5	0	0	0	0	0	114.2	K263	G258-K263 WeakPolarHBondContact O-CD 3.37Å; G258-K263 WeakPolarHBondContact O-CE 3.46Å; G258-K263 PolarHBondContact O-NZ 3.23Å
259	L	86.5	Confident	84.4	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.11	30%	0.299	C	S	.	.			trans	62	39.7	179	-61	175.5	0	0	0	113.9	V256 E261 A262 K263 I442 E449	V256-L259 HydrophobicContact CG1-CD1 4.05Å; L259-E261 VanDerWaalsContact C-N 3.35Å; L259-E261 PolarHBondContact O-N 3.4Å; L259-A262 HydrophobicContact CB-CB 4.32Å; L259-A262 PolarHBondContact O-N 2.88Å; L259-K263 HydrophobicContact CB-CG 4.45Å; L259-K263 VanDerWaalsContact O-CB 3.27Å; L259-K263 WeakPolarHBondContact O-CB 3.46Å; L259-K263 WeakPolarHBondContact O-CG 3.32Å; L259-K263 PolarHBondContact O-N 3.13Å; L259-I442 HydrophobicContact CD1-CG2 4.34Å; L259-I442 HydrophobicContact CD2-CG2 3.74Å; L259-E449 PolarHBondContact N-OE1 3.23Å
260	Q	87.3	Confident	86.1	Confident	103 Å²	103	53.4 Å²	53.4	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-43.6	-170.4	-60.4	-60.9	-12.3	0	0	112.6	K263 V264	Q260-K263 WeakPolarHBondContact O-CB 3.18Å; Q260-K263 PolarHBondContact O-N 3.09Å; Q260-V264 WeakPolarHBondContact O-CG2 3.48Å; Q260-V264 PolarHBondContact O-N 3.45Å
261	E	88	Confident	86.9	Confident	132 Å²	132	49.2 Å²	49.2	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-64.2	-49.4	179.1	-61.4	78.7	-174.5	0	0	110.9	L259 K263 V264 E265	L259-E261 VanDerWaalsContact C-N 3.35Å; L259-E261 PolarHBondContact O-N 3.4Å; E261-K263 VanDerWaalsContact C-N 3.28Å; E261-K263 PolarHBondContact O-N 3.12Å; E261-V264 PolarHBondContact O-N 2.85Å; E261-E265 PolarHBondContact O-N 3.15Å
262	A	89.9	Confident	87.1	Confident	4 Å²	4	49 Å²	49	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-34.1	178	0	0	0	0	0	111.9	L259 E265 V266 I303 I440 I442	L259-A262 HydrophobicContact CB-CB 4.32Å; L259-A262 PolarHBondContact O-N 2.88Å; A262-E265 PolarHBondContact O-N 2.9Å; A262-V266 WeakPolarHBondContact O-CG2 3.44Å; A262-V266 PolarHBondContact O-N 3.09Å; A262-I303 HydrophobicContact CB-CD1 4.22Å; A262-I440 HydrophobicContact CB-CG2 3.68Å; A262-I442 HydrophobicContact CB-CG1 3.94Å
263	K	90.3	Very high	87.3	Confident	21 Å²	21	43.7 Å²	43.7	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-46	175.4	-78.9	176.4	166.1	164.6	0	111.3	F253 V256 G258 L259 Q260 E261 E265 V266 M267 I303	F253-K263 HydrophobicContact CD1-CD 4.18Å; F253-K263 HydrophobicContact CD1-CG 4.43Å; F253-K263 HydrophobicContact CE1-CB 3.62Å; F253-K263 HydrophobicContact CE1-CD 3.46Å; F253-K263 VanDerWaalsContact CE1-CD 3.46Å; F253-K263 HydrophobicContact CE1-CG 3.42Å; F253-K263 VanDerWaalsContact CE1-CG 3.42Å; F253-K263 HydrophobicContact CE2-CG 4.14Å; F253-K263 HydrophobicContact CZ-CB 3.42Å; F253-K263 VanDerWaalsContact CZ-CB 3.42Å; F253-K263 HydrophobicContact CZ-CD 3.89Å; F253-K263 HydrophobicContact CZ-CG 3.27Å; V256-K263 WeakPolarHBondContact O-CE 3.48Å; V256-K263 PolarHBondContact O-NZ 3.27Å; G258-K263 WeakPolarHBondContact O-CD 3.37Å; G258-K263 WeakPolarHBondContact O-CE 3.46Å; G258-K263 PolarHBondContact O-NZ 3.23Å; L259-K263 HydrophobicContact CB-CG 4.45Å; L259-K263 VanDerWaalsContact O-CB 3.27Å; L259-K263 WeakPolarHBondContact O-CB 3.46Å; L259-K263 WeakPolarHBondContact O-CG 3.32Å; L259-K263 PolarHBondContact O-N 3.13Å; Q260-K263 WeakPolarHBondContact O-CB 3.18Å; Q260-K263 PolarHBondContact O-N 3.09Å; E261-K263 VanDerWaalsContact C-N 3.28Å; E261-K263 PolarHBondContact O-N 3.12Å; K263-E265 VanDerWaalsContact C-N 3.34Å; K263-E265 PolarHBondContact O-N 3.31Å; K263-V266 PolarHBondContact O-N 3.42Å; K263-M267 WeakPolarHBondContact O-CB 3.39Å; K263-M267 WeakPolarHBondContact O-CG 3.49Å; K263-M267 PolarHBondContact O-N 3.42Å; K263-I303 HydrophobicContact CG-CD1 4.43Å
264	V	91	Very high	87.4	Confident	105 Å²	105	46.7 Å²	46.7	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-58.6	-47.1	177.3	173	0	0	0	0	110.7	Q260 E261 V266 M267	Q260-V264 WeakPolarHBondContact O-CG2 3.48Å; Q260-V264 PolarHBondContact O-N 3.45Å; E261-V264 PolarHBondContact O-N 2.85Å; V264-V266 PolarHBondContact O-N 3.41Å; V264-M267 PolarHBondContact O-N 3.07Å
265	E	90.5	Very high	87.6	Confident	70 Å²	70	49.6 Å²	49.6	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-40.1	178.9	-70.2	-169.6	-130.7	0	0	112.8	E261 A262 K263 I440	E261-E265 PolarHBondContact O-N 3.15Å; A262-E265 PolarHBondContact O-N 2.9Å; K263-E265 VanDerWaalsContact C-N 3.34Å; K263-E265 PolarHBondContact O-N 3.31Å; E265-I440 HydrophobicContact CB-CD1 4.23Å; E265-I440 HydrophobicContact CB-CG1 3.9Å; E265-I440 HydrophobicContact CB-CG2 4.49Å; E265-I440 VanDerWaalsContact OE2-CG1 3.29Å; E265-I440 WeakPolarHBondContact OE2-CG1 3.37Å
266	V	89.9	Confident	87.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-77.7	-25.4	-179.2	-162.2	0	0	0	0	112.3	A262 K263 V264 E268 F269 V270 I303 V307 I440	A262-V266 WeakPolarHBondContact O-CG2 3.44Å; A262-V266 PolarHBondContact O-N 3.09Å; K263-V266 PolarHBondContact O-N 3.42Å; V264-V266 PolarHBondContact O-N 3.41Å; V266-E268 PolarHBondContact O-N 3.44Å; V266-F269 HydrophobicContact CG1-CD2 4.11Å; V266-F269 WeakPolarHBondContact O-CB 3.27Å; V266-F269 PolarHBondContact O-N 2.93Å; V266-V270 PolarHBondContact O-N 2.88Å; V266-I303 HydrophobicContact CG2-CD1 4Å; V266-I303 HydrophobicContact CG2-CG1 4.38Å; V266-V307 HydrophobicContact CB-CG2 3.94Å; V266-V307 HydrophobicContact CG1-CB 3.96Å; V266-V307 HydrophobicContact CG1-CG1 3.62Å; V266-V307 HydrophobicContact CG1-CG2 3.19Å; V266-I440 HydrophobicContact CG2-CD1 3.56Å
267	M	89.3	Confident	87.3	Confident	52 Å²	52	55.5 Å²	55.5	26%	0.256	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-27.8	175.7	-79.2	-61.8	-62.8	0	0	112.5	F253 K263 V264 F269 V270 D271	F253-M267 HydrophobicContact CE1-CG 4.29Å; F253-M267 HydrophobicContact CE1-SD 4.23Å; F253-M267 HydrophobicContact CE2-SD 4.27Å; F253-M267 HydrophobicContact CZ-CG 3.9Å; F253-M267 HydrophobicContact CZ-SD 3.94Å; K263-M267 WeakPolarHBondContact O-CB 3.39Å; K263-M267 WeakPolarHBondContact O-CG 3.49Å; K263-M267 PolarHBondContact O-N 3.42Å; V264-M267 PolarHBondContact O-N 3.07Å; M267-F269 PolarHBondContact O-N 3.03Å; M267-V270 HydrophobicContact CE-CB 4.41Å; M267-V270 HydrophobicContact CE-CG1 4.33Å; M267-V270 WeakPolarHBondContact O-CB 3.47Å; M267-V270 PolarHBondContact O-N 2.68Å; M267-V270 VanDerWaalsContact O-N 3.08Å; M267-V270 HydrophobicContact SD-CB 4.2Å; M267-V270 HydrophobicContact SD-CG1 4.44Å; M267-V270 HydrophobicContact SD-CG2 4.09Å; M267-D271 PolarHBondContact O-N 3.45Å
268	E	88.2	Confident	87.3	Confident	78 Å²	78	55.8 Å²	55.8	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-54	-39.5	171.3	-64.2	-170.4	167.8	0	0	112.1	V266 Y272 R438	V266-E268 PolarHBondContact O-N 3.44Å; E268-Y272 PolarHBondContact O-N 3.4Å; E268-R438 IonicContact OE2-CZ 3.14Å; E268-R438 IonicContact OE2-NE 2.7Å; E268-R438 PolarHBondContact OE2-NE 2.86Å; E268-R438 IonicContact OE2-NH2 2.67Å; E268-R438 PolarHBondContact OE2-NH2 3.04Å
269	F	88.3	Confident	87.1	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-72.7	-37.3	178.5	-65.1	-74	0	0	0	112.3	V266 M267 L273 L286 P287 A290 I414 R438 I440	V266-F269 HydrophobicContact CG1-CD2 4.11Å; V266-F269 WeakPolarHBondContact O-CB 3.27Å; V266-F269 PolarHBondContact O-N 2.93Å; M267-F269 PolarHBondContact O-N 3.03Å; F269-L273 VanDerWaalsContact O-CG 3.3Å; F269-L273 WeakPolarHBondContact O-CG 3.46Å; F269-L273 PolarHBondContact O-N 3.04Å; F269-L286 HydrophobicContact CD1-CD2 3.83Å; F269-L286 HydrophobicContact CE1-CD2 4.26Å; F269-P287 HydrophobicContact CE1-CB 3.93Å; F269-P287 HydrophobicContact CZ-CB 4.06Å; F269-A290 HydrophobicContact CE2-CB 3.7Å; F269-A290 HydrophobicContact CZ-CB 3.6Å; F269-I414 HydrophobicContact CB-CD1 4.1Å; F269-I414 HydrophobicContact CD1-CD1 3.92Å; F269-I414 HydrophobicContact CD1-CG1 4.41Å; F269-I414 HydrophobicContact CD1-CG2 3.75Å; F269-I414 HydrophobicContact CE1-CG2 4.1Å; F269-I414 HydrophobicContact CG-CD1 4.48Å; F269-I414 HydrophobicContact CG-CG2 4.37Å; F269-R438 HydrophobicContact CE2-CB 4.36Å; F269-R438 HydrophobicContact CE2-CG 4.28Å; F269-R438 HydrophobicContact CZ-CB 3.98Å; F269-R438 HydrophobicContact CZ-CG 3.77Å; F269-I440 HydrophobicContact CE2-CD1 4.31Å
270	V	87.7	Confident	86.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-47.5	176.8	176.6	0	0	0	0	110.2	V266 M267 Y272 L273 K274 V307 E310 A311	V266-V270 PolarHBondContact O-N 2.88Å; M267-V270 HydrophobicContact CE-CB 4.41Å; M267-V270 HydrophobicContact CE-CG1 4.33Å; M267-V270 WeakPolarHBondContact O-CB 3.47Å; M267-V270 PolarHBondContact O-N 2.68Å; M267-V270 VanDerWaalsContact O-N 3.08Å; M267-V270 HydrophobicContact SD-CB 4.2Å; M267-V270 HydrophobicContact SD-CG1 4.44Å; M267-V270 HydrophobicContact SD-CG2 4.09Å; V270-Y272 VanDerWaalsContact C-N 3.34Å; V270-Y272 PolarHBondContact O-N 3.31Å; V270-L273 PolarHBondContact O-N 2.91Å; V270-K274 HydrophobicContact CG1-CD 4.04Å; V270-K274 WeakPolarHBondContact O-CG 3.3Å; V270-K274 PolarHBondContact O-N 3.08Å; V270-V307 HydrophobicContact CG2-CB 4.38Å; V270-V307 HydrophobicContact CG2-CG1 3.77Å; V270-E310 HydrophobicContact CG1-CB 4.35Å; V270-E310 HydrophobicContact CG1-CG 3.83Å; V270-A311 HydrophobicContact CG1-CB 4.24Å
271	D	88.5	Confident	86.4	Confident	73 Å²	73	67.1 Å²	67.1	39%	0.39	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-38.5	-178	-73.3	-21.8	0	0	0	111.9	M267 K274 K275	M267-D271 PolarHBondContact O-N 3.45Å; D271-K274 PolarHBondContact O-N 3.08Å; D271-K275 PolarHBondContact O-N 3.01Å
272	Y	85.3	Confident	86.3	Confident	27 Å²	27	67.6 Å²	67.6	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-44.2	172.6	175.5	-99.7	0	0	0	112.9	E268 V270 K274 K275 P276 Y279 L286 I414	E268-Y272 PolarHBondContact O-N 3.4Å; V270-Y272 VanDerWaalsContact C-N 3.34Å; V270-Y272 PolarHBondContact O-N 3.31Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 2.86Å; Y272-K275 CarbonylContact O-C 3.54Å; Y272-K275 PolarHBondContact O-N 2.68Å; Y272-P276 WeakPolarHBondContact O-CA 3.45Å; Y272-P276 WeakPolarHBondContact O-CD 3.42Å; Y272-P276 VanDerWaalsContact O-N 3.07Å; Y272-Y279 AromaticContact CD2-CD2 3.75Å; Y272-Y279 HydrophobicContact CD2-CD2 3.75Å; Y272-Y279 HydrophobicContact CD2-CE2 4.42Å; Y272-Y279 AromaticContact CD2-CG 3.9Å; Y272-Y279 HydrophobicContact CD2-CG 3.9Å; Y272-Y279 HydrophobicContact CG-CD2 4.49Å; Y272-L286 VanDerWaalsContact CB-CD2 3.45Å; Y272-L286 HydrophobicContact CD1-CD2 3.62Å; Y272-L286 HydrophobicContact CD2-CB 4.05Å; Y272-L286 HydrophobicContact CD2-CD1 4.41Å; Y272-L286 HydrophobicContact CD2-CD2 3.96Å; Y272-L286 HydrophobicContact CD2-CG 4.34Å; Y272-L286 HydrophobicContact CE1-CD2 4.29Å; Y272-L286 HydrophobicContact CE2-CB 4.11Å; Y272-L286 HydrophobicContact CG-CB 4.35Å; Y272-L286 HydrophobicContact CG-CD1 4.5Å; Y272-L286 HydrophobicContact CG-CD2 3.41Å; Y272-L286 VanDerWaalsContact CG-CD2 3.41Å; Y272-L286 HydrophobicContact CG-CG 4.26Å; Y272-I414 HydrophobicContact CD1-CD1 4.19Å
273	L	85.4	Confident	85.8	Confident	16 Å²	16	70.3 Å²	70.3	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-33.2	178	-72.6	171.7	0	0	0	112.2	F269 V270 A311 V313 P347 I349 I414	F269-L273 VanDerWaalsContact O-CG 3.3Å; F269-L273 WeakPolarHBondContact O-CG 3.46Å; F269-L273 PolarHBondContact O-N 3.04Å; V270-L273 PolarHBondContact O-N 2.91Å; L273-A311 HydrophobicContact CB-CB 4.01Å; L273-A311 HydrophobicContact CD1-CB 3.71Å; L273-V313 HydrophobicContact CB-CG1 4.38Å; L273-V313 HydrophobicContact CD1-CG1 4.27Å; L273-V313 HydrophobicContact CD1-CG2 3.9Å; L273-V313 HydrophobicContact CD2-CG1 4.47Å; L273-P347 HydrophobicContact CD2-CB 4.04Å; L273-I349 HydrophobicContact CD1-CD1 3.73Å; L273-I349 HydrophobicContact CD1-CG1 3.86Å; L273-I414 HydrophobicContact CD1-CD1 3.76Å; L273-I414 HydrophobicContact CD2-CD1 3.65Å; L273-I414 HydrophobicContact CD2-CG1 4.38Å; L273-I414 HydrophobicContact CG-CD1 3.51Å
274	K	86.5	Confident	85.2	Confident	98 Å²	98	71.6 Å²	71.6	43%	0.426	38%	0.378	S	S	.	.	H	α-helix	trans	-76.2	-37.5	176.5	-73.1	180	179.3	175	0	112.7	V270 D271 Y272 E310	V270-K274 HydrophobicContact CG1-CD 4.04Å; V270-K274 WeakPolarHBondContact O-CG 3.3Å; V270-K274 PolarHBondContact O-N 3.08Å; D271-K274 PolarHBondContact O-N 3.08Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 2.86Å; K274-E310 WeakPolarHBondContact CE-O 3.23Å; K274-E310 PolarHBondContact NZ-O 3.38Å; K274-E310 IonicContact NZ-OE1 3.61Å; K274-E310 PolarHBondContact NZ-OE1 3.03Å
275	K	85.7	Confident	84.4	Confident	148 Å²	148	75.1 Å²	75.1	64%	0.643	39%	0.385	S	S	*	.			trans	-135.3	65.3	-174.2	-62.9	178.3	-175.6	170	0	112.3	D271 Y272 D277 A278 Y279	D271-K275 PolarHBondContact O-N 3.01Å; Y272-K275 CarbonylContact O-C 3.54Å; Y272-K275 PolarHBondContact O-N 2.68Å; K275-D277 VanDerWaalsContact C-N 3.3Å; K275-D277 PolarHBondContact O-N 2.95Å; K275-A278 HydrophobicContact CB-CB 4.49Å; K275-A278 PolarHBondContact O-N 3.12Å; K275-Y279 WeakPolarHBondContact O-CD2 3.32Å
276	P	80.7	Confident	83.6	Confident	51 Å²	51	73.1 Å²	73.1	33%	0.331	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-36.6	-176.5	24.2	-33.8	0	0	0	112.8	Y272 A278 Y279 T280	Y272-P276 WeakPolarHBondContact O-CA 3.45Å; Y272-P276 WeakPolarHBondContact O-CD 3.42Å; Y272-P276 VanDerWaalsContact O-N 3.07Å; P276-A278 VanDerWaalsContact C-N 3.27Å; P276-A278 PolarHBondContact O-N 3.38Å; P276-Y279 PolarHBondContact O-N 3.24Å; P276-T280 PolarHBondContact O-N 3.14Å; P276-T280 PolarHBondContact O-OG1 3.29Å
277	D	83.4	Confident	83.1	Confident	130 Å²	130	73.7 Å²	73.7	70%	0.695	38%	0.38	S	S	*	.	H	α-helix	trans	-61.1	-33.2	-175.9	-61	-30.1	0	0	0	113.4	K275 Y279 T280 R281	K275-D277 VanDerWaalsContact C-N 3.3Å; K275-D277 PolarHBondContact O-N 2.95Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 3.44Å; D277-T280 PolarHBondContact O-N 3.26Å; D277-R281 WeakPolarHBondContact O-CB 3.22Å; D277-R281 PolarHBondContact O-N 3.02Å
278	A	83.5	Confident	82.6	Confident	36 Å²	36	73.5 Å²	73.5	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-41.5	-179.9	0	0	0	0	0	111.6	K275 P276	K275-A278 HydrophobicContact CB-CB 4.49Å; K275-A278 PolarHBondContact O-N 3.12Å; P276-A278 VanDerWaalsContact C-N 3.27Å; P276-A278 PolarHBondContact O-N 3.38Å
279	Y	83	Confident	82.6	Confident	67 Å²	67	69.8 Å²	69.8	26%	0.263	36%	0.359	S	S	.	.	H	α-helix	trans	-76	-42.6	177.9	-64.1	-89.1	0	0	0	111.6	Y272 K275 P276 D277 R281 L282 G283 A284	Y272-Y279 AromaticContact CD2-CD2 3.75Å; Y272-Y279 HydrophobicContact CD2-CD2 3.75Å; Y272-Y279 HydrophobicContact CD2-CE2 4.42Å; Y272-Y279 AromaticContact CD2-CG 3.9Å; Y272-Y279 HydrophobicContact CD2-CG 3.9Å; Y272-Y279 HydrophobicContact CG-CD2 4.49Å; K275-Y279 WeakPolarHBondContact O-CD2 3.32Å; P276-Y279 PolarHBondContact O-N 3.24Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 3.44Å; Y279-R281 VanDerWaalsContact C-N 3.3Å; Y279-R281 PolarHBondContact O-N 3.28Å; Y279-L282 PolarHBondContact O-N 3.48Å; Y279-L282 VanDerWaalsContact O-N 3.16Å; Y279-G283 PolarHBondContact O-N 3.25Å; Y279-A284 PolarHBondContact O-N 3.18Å
280	T	79.3	Confident	82.7	Confident	92 Å²	92	69.7 Å²	69.7	56%	0.564	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-37.7	177.8	-56.8	0	0	0	0	111.8	P276 D277 L282 G283	P276-T280 PolarHBondContact O-N 3.14Å; P276-T280 PolarHBondContact O-OG1 3.29Å; D277-T280 PolarHBondContact O-N 3.26Å; T280-L282 VanDerWaalsContact C-N 3.3Å; T280-L282 PolarHBondContact O-N 2.94Å; T280-G283 PolarHBondContact O-N 2.97Å
281	R	80.2	Confident	83	Confident	205 Å²	205	69.7 Å²	69.7	77%	0.774	36%	0.359	S	S	*	.	H	α-helix	trans	-61	-36.3	175.2	-178.1	175.4	64.4	-161.4	0.2	113	D277 Y279 G283	D277-R281 WeakPolarHBondContact O-CB 3.22Å; D277-R281 PolarHBondContact O-N 3.02Å; Y279-R281 VanDerWaalsContact C-N 3.3Å; Y279-R281 PolarHBondContact O-N 3.28Å; R281-G283 PolarHBondContact O-N 3.39Å
282	L	86	Confident	83.2	Confident	142 Å²	142	66.3 Å²	66.3	74%	0.743	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.9	175.9	-66.4	174.1	0	0	0	112.8	Y279 T280 A284	Y279-L282 PolarHBondContact O-N 3.48Å; Y279-L282 VanDerWaalsContact O-N 3.16Å; T280-L282 VanDerWaalsContact C-N 3.3Å; T280-L282 PolarHBondContact O-N 2.94Å; L282-A284 PolarHBondContact O-N 3.45Å
283	G	78.8	Confident	83.6	Confident	61 Å²	61	66.4 Å²	66.4	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	15.3	-173.1	0	0	0	0	0	113.4	Y279 T280 R281 K285	Y279-G283 PolarHBondContact O-N 3.25Å; T280-G283 PolarHBondContact O-N 2.97Å; R281-G283 PolarHBondContact O-N 3.39Å; G283-K285 PolarHBondContact O-N 3.18Å
284	A	78.2	Confident	83.8	Confident	48 Å²	48	66 Å²	66	40%	0.397	34%	0.342	S	S	.	.			trans	-72.3	124.8	179.3	0	0	0	0	0	110.1	Y279 L282	Y279-A284 PolarHBondContact O-N 3.18Å; L282-A284 PolarHBondContact O-N 3.45Å
285	K	73.3	Confident	84	Confident	180 Å²	180	63 Å²	63	78%	0.783	33%	0.334	S	S	*	.			trans	-92.7	109	170.3	-66.5	-173.3	178	-171.7	0	108.5	G283	G283-K285 PolarHBondContact O-N 3.18Å
286	L	74.9	Confident	84.3	Confident	28 Å²	28	60 Å²	60	15%	0.147	33%	0.329	C	S	.	.			trans	-70.4	145.1	175.9	-155.4	81.3	0	0	0	110.4	F269 Y272 R288	F269-L286 HydrophobicContact CD1-CD2 3.83Å; F269-L286 HydrophobicContact CE1-CD2 4.26Å; Y272-L286 VanDerWaalsContact CB-CD2 3.45Å; Y272-L286 HydrophobicContact CD1-CD2 3.62Å; Y272-L286 HydrophobicContact CD2-CB 4.05Å; Y272-L286 HydrophobicContact CD2-CD1 4.41Å; Y272-L286 HydrophobicContact CD2-CD2 3.96Å; Y272-L286 HydrophobicContact CD2-CG 4.34Å; Y272-L286 HydrophobicContact CE1-CD2 4.29Å; Y272-L286 HydrophobicContact CE2-CB 4.11Å; Y272-L286 HydrophobicContact CG-CB 4.35Å; Y272-L286 HydrophobicContact CG-CD1 4.5Å; Y272-L286 HydrophobicContact CG-CD2 3.41Å; Y272-L286 VanDerWaalsContact CG-CD2 3.41Å; Y272-L286 HydrophobicContact CG-CG 4.26Å; L286-R288 PolarHBondContact O-N 3.31Å
287	P	78	Confident	84.8	Confident	13 Å²	13	59.2 Å²	59.2	8%	0.084	33%	0.33	C	S	.	.			trans	-38.1	126.5	161.9	-36.1	33.6	0	0	0	113.9	F269 D437 R438	F269-P287 HydrophobicContact CE1-CB 3.93Å; F269-P287 HydrophobicContact CZ-CB 4.06Å; P287-D437 HydrophobicContact CB-CB 3.95Å; P287-D437 HydrophobicContact CG-CB 4.32Å; P287-R438 HydrophobicContact CB-CG 3.68Å; P287-R438 HydrophobicContact CG-CG 3.57Å; P287-R438 VanDerWaalsContact CG-CZ 3.45Å
288	R	79.8	Confident	85.1	Confident	48 Å²	48	53.5 Å²	53.5	18%	0.181	30%	0.3	C	S	.	.	S	Bend	trans	-74.7	-30.5	178.6	-69.8	-67.8	-174.5	-165.6	-11.1	112.8	L286 D408 N410 V415 G434	L286-R288 PolarHBondContact O-N 3.31Å; R288-D408 IonicContact CZ-OD2 3.66Å; R288-D408 IonicContact NH2-OD1 2.71Å; R288-D408 PolarHBondContact NH2-OD1 3.44Å; R288-D408 IonicContact NH2-OD2 3.51Å; R288-D408 PolarHBondContact NH2-OD2 3.18Å; R288-N410 VanDerWaalsContact NH1-C 3.3Å; R288-N410 PolarHBondContact NH1-O 2.93Å; R288-N410 VanDerWaalsContact NH1-O 3.11Å; R288-V415 PolarHBondContact O-N 3.4Å; R288-G434 WeakPolarHBondContact CB-O 3.39Å
289	G	88.2	Confident	85.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.5	177.6	0	0	0	0	0	113.8	V415 R435 D437 R438	G289-V415 CarbonylContact C-O 3.58Å; G289-V415 WeakPolarHBondContact CA-O 3.42Å; G289-R435 WeakPolarHBondContact CA-O 3.12Å; G289-R435 PolarHBondContact N-O 3.14Å; G289-D437 PolarHBondContact O-N 3.43Å; G289-R438 PolarHBondContact O-N 3.44Å
290	A	91.2	Very high	85.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.4	174.7	0	0	0	0	0	110.4	F269 V415 L416 A417 R438 I440	F269-A290 HydrophobicContact CE2-CB 3.7Å; F269-A290 HydrophobicContact CZ-CB 3.6Å; A290-V415 PolarHBondContact N-O 3.38Å; A290-L416 HydrophobicContact CB-CD2 3.66Å; A290-L416 CarbonylContact O-C 3.41Å; A290-L416 WeakPolarHBondContact O-CA 3.23Å; A290-A417 PolarHBondContact O-N 3.26Å; A290-R438 CarbonylContact C-O 3.47Å; A290-R438 VanDerWaalsContact CA-O 3.28Å; A290-R438 WeakPolarHBondContact CA-O 3.37Å; A290-R438 HydrophobicContact CB-CB 3.81Å; A290-I440 HydrophobicContact CB-CD1 4Å
291	L	92.2	Very high	86.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117	175.3	-176.6	68.4	0	0	0	108.9	L293 I355 A417 T419 L425 F436 R438 H439 I440	L291-L293 HydrophobicContact CD1-CD2 4.41Å; L291-L293 HydrophobicContact CD2-CD2 3.55Å; L291-L293 HydrophobicContact CD2-CG 4.24Å; L291-L293 HydrophobicContact CG-CD2 3.59Å; L291-L293 HydrophobicContact CG-CG 4.13Å; L291-I355 HydrophobicContact CD1-CG2 3.75Å; L291-A417 CarbonylContact C-O 3.42Å; L291-A417 WeakPolarHBondContact CA-O 3.42Å; L291-A417 HydrophobicContact CD1-CB 3.77Å; L291-T419 HydrophobicContact CD1-CG2 4.29Å; L291-L425 HydrophobicContact CD2-CD2 3.53Å; L291-F436 HydrophobicContact CB-CB 4.17Å; L291-F436 HydrophobicContact CB-CD1 4.21Å; L291-F436 HydrophobicContact CB-CG 4.29Å; L291-R438 PolarHBondContact N-O 3.46Å; L291-H439 WeakPolarHBondContact O-CA 3.48Å; L291-I440 PolarHBondContact O-N 3.41Å
292	L	94.1	Very high	87	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.3	175.5	-57.8	-176.9	0	0	0	109	K300 I303 A304 Y351 A417 S418 T419 I440 I442	L292-K300 HydrophobicContact CB-CB 4.47Å; L292-K300 HydrophobicContact CB-CD 4.35Å; L292-K300 HydrophobicContact CB-CG 4.45Å; L292-K300 HydrophobicContact CD1-CB 4.49Å; L292-K300 WeakPolarHBondContact CD1-O 3.45Å; L292-I303 HydrophobicContact CD1-CG2 3.91Å; L292-A304 HydrophobicContact CD1-CB 4.26Å; L292-Y351 HydrophobicContact CD1-CE2 4.49Å; L292-A417 PolarHBondContact N-O 3.4Å; L292-S418 WeakPolarHBondContact O-CA 3.16Å; L292-T419 PolarHBondContact O-N 2.74Å; L292-T419 VanDerWaalsContact O-N 3.13Å; L292-I440 HydrophobicContact CD2-CB 3.87Å; L292-I440 HydrophobicContact CD2-CD1 3.87Å; L292-I440 HydrophobicContact CD2-CG1 4.48Å; L292-I440 HydrophobicContact CD2-CG2 4.23Å; L292-I442 HydrophobicContact CB-CD1 4.21Å; L292-I442 HydrophobicContact CD1-CD1 4.4Å; L292-I442 HydrophobicContact CD2-CD1 4.03Å; L292-I442 HydrophobicContact CG-CD1 4.44Å
293	L	92.2	Very high	87.3	Confident	28 Å²	28	34.4 Å²	34.4	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145	-177	-61.1	-178.6	0	0	0	110.3	L291 T419 P422 H439 I440 L441 I442	L291-L293 HydrophobicContact CD1-CD2 4.41Å; L291-L293 HydrophobicContact CD2-CD2 3.55Å; L291-L293 HydrophobicContact CD2-CG 4.24Å; L291-L293 HydrophobicContact CG-CD2 3.59Å; L291-L293 HydrophobicContact CG-CG 4.13Å; L293-T419 HydrophobicContact CD2-CG2 3.34Å; L293-P422 HydrophobicContact CD1-CB 4.48Å; L293-P422 HydrophobicContact CD2-CB 4.08Å; L293-H439 HydrophobicContact CD1-CB 4.37Å; L293-I440 PolarHBondContact N-O 2.95Å; L293-L441 HydrophobicContact CB-CD1 4.16Å; L293-I442 PolarHBondContact O-N 2.8Å
294	G	90.9	Very high	87.8	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	151.9	176.2	168.9	0	0	0	0	0	114.6	K300 N420 I442	G294-K300 PolarHBondContact O-NZ 3.48Å; G294-N420 WeakPolarHBondContact O-CA 3.42Å; G294-I442 VanDerWaalsContact CA-O 3.29Å; G294-I442 WeakPolarHBondContact CA-O 3.29Å
295	P	91.5	Very high	88.4	Confident	37 Å²	37	32.6 Å²	32.6	24%	0.24	18%	0.183	C	C	.	.			trans	-63.3	156.7	177.8	17.6	-20.9	0	0	0	112.8	K300 I442 L444	P295-K300 PolarHBondContact O-NZ 3.02Å; P295-I442 WeakPolarHBondContact CD-O 3.47Å; P295-L444 HydrophobicContact CG-CD2 4.17Å; P295-L444 HydrophobicContact CG-CG 3.8Å
296	P	91.2	Very high	89.2	Confident	84 Å²	84	24 Å²	24	55%	0.545	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	152.6	177.9	28.9	-35.2	0	0	0	111	C298 N420	P296-C298 VanDerWaalsContact C-N 3.32Å; P296-C298 PolarHBondContact O-N 3.29Å; P296-N420 WeakPolarHBondContact CA-OD1 3.46Å
297	G	90.8	Very high	90	Very high	34 Å²	34	22.7 Å²	22.7	35%	0.351	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-2.4	175.5	0	0	0	0	0	116.5	G299 G482 A483	G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 3.33Å; G297-G482 PolarHBondContact O-N 2.87Å; G297-A483 PolarHBondContact O-N 3.47Å; G297-A483 VanDerWaalsContact O-N 3.11Å
298	C	90.9	Very high	90.5	Very high	10 Å²	10	22.2 Å²	22.2	7%	0.068	14%	0.136	C	C	.	.	S	Bend	trans	-84.6	13.1	178.6	-58.6	0	0	0	0	115	P296 I442 D443	P296-C298 VanDerWaalsContact C-N 3.32Å; P296-C298 PolarHBondContact O-N 3.29Å; C298-I442 HydrophobicContact CB-CG2 3.65Å; C298-I442 WeakPolarHBondContact O-CG2 3.45Å; C298-D443 PolarHBondContact SG-O 2.77Å; C298-D443 VanDerWaalsContact SG-O 3.41Å
299	G	90.3	Very high	90.9	Very high	23 Å²	23	22.1 Å²	22.1	24%	0.237	14%	0.142	C	C	.	.	S	Bend	trans	84.2	20.8	173.3	0	0	0	0	0	116.5	G297 T301 L302 I303	G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 3.33Å; G299-T301 PolarHBondContact O-N 2.83Å; G299-L302 CarbonylContact O-C 3.57Å; G299-L302 WeakPolarHBondContact O-CA 3.34Å; G299-L302 WeakPolarHBondContact O-CB 3.3Å; G299-L302 PolarHBondContact O-N 3.17Å; G299-I303 PolarHBondContact O-N 2.9Å
300	K	92.7	Very high	90.9	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-53.1	-48.9	176.7	-63.9	-171.5	-74.3	-86.9	0	113.8	L292 G294 P295 L302 I303 A304 N420 I442	L292-K300 HydrophobicContact CB-CB 4.47Å; L292-K300 HydrophobicContact CB-CD 4.35Å; L292-K300 HydrophobicContact CB-CG 4.45Å; L292-K300 HydrophobicContact CD1-CB 4.49Å; L292-K300 WeakPolarHBondContact CD1-O 3.45Å; G294-K300 PolarHBondContact O-NZ 3.48Å; P295-K300 PolarHBondContact O-NZ 3.02Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 3.44Å; K300-I303 VanDerWaalsContact O-CG2 3.23Å; K300-I303 WeakPolarHBondContact O-CG2 3.49Å; K300-A304 PolarHBondContact O-N 2.71Å; K300-N420 WeakPolarHBondContact CE-OD1 3.13Å; K300-N420 PolarHBondContact NZ-OD1 2.94Å; K300-I442 HydrophobicContact CB-CD1 4.5Å; K300-I442 HydrophobicContact CG-CB 4.33Å; K300-I442 HydrophobicContact CG-CD1 3.97Å; K300-I442 HydrophobicContact CG-CG2 4.33Å
301	T	90.6	Very high	90.7	Very high	45 Å²	45	25.7 Å²	25.7	28%	0.276	16%	0.16	S	C	.	.	H	α-helix	trans	-68.1	-28.4	175.7	-41.8	0	0	0	0	112.2	G299 K305 Y351 D353	G299-T301 PolarHBondContact O-N 2.83Å; T301-K305 HydrophobicContact CG2-CD 4.44Å; T301-K305 VanDerWaalsContact O-CG 3.3Å; T301-K305 WeakPolarHBondContact O-CG 3.4Å; T301-K305 PolarHBondContact O-N 2.88Å; T301-Y351 VanDerWaalsContact CA-OH 3.29Å; T301-Y351 WeakPolarHBondContact CA-OH 3.25Å; T301-Y351 HydrophobicContact CG2-CE1 3.82Å; T301-Y351 PolarHBondContact OG1-OH 3.21Å; T301-Y351 VanDerWaalsContact OG1-OH 3.11Å; T301-D353 PolarHBondContact OG1-OD2 3.27Å
302	L	90.9	Very high	90.5	Very high	62 Å²	62	28.8 Å²	28.8	33%	0.325	18%	0.182	S	C	.	.	H	α-helix	trans	-75.1	-44.6	-177.7	-175.8	147.9	0	0	0	110.9	V256 G299 K300 K305 A306	V256-L302 HydrophobicContact CB-CD2 3.88Å; V256-L302 HydrophobicContact CG1-CD2 3.74Å; V256-L302 HydrophobicContact CG2-CD2 3.42Å; V256-L302 VanDerWaalsContact CG2-CD2 3.42Å; G299-L302 CarbonylContact O-C 3.57Å; G299-L302 WeakPolarHBondContact O-CA 3.34Å; G299-L302 WeakPolarHBondContact O-CB 3.3Å; G299-L302 PolarHBondContact O-N 3.17Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 3.44Å; L302-K305 PolarHBondContact O-N 3.14Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 3.34Å
303	I	92	Very high	90.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-40.7	175.3	-165.5	166.3	0	0	0	111.4	A262 K263 V266 L292 G299 K300 K305 A306 V307 I442	A262-I303 HydrophobicContact CB-CD1 4.22Å; K263-I303 HydrophobicContact CG-CD1 4.43Å; V266-I303 HydrophobicContact CG2-CD1 4Å; V266-I303 HydrophobicContact CG2-CG1 4.38Å; L292-I303 HydrophobicContact CD1-CG2 3.91Å; G299-I303 PolarHBondContact O-N 2.9Å; K300-I303 VanDerWaalsContact O-CG2 3.23Å; K300-I303 WeakPolarHBondContact O-CG2 3.49Å; I303-K305 VanDerWaalsContact C-N 3.33Å; I303-K305 PolarHBondContact O-N 3.27Å; I303-A306 PolarHBondContact O-N 3.2Å; I303-V307 HydrophobicContact CG1-CG2 4.25Å; I303-V307 WeakPolarHBondContact O-CB 3.31Å; I303-V307 WeakPolarHBondContact O-CG2 3.14Å; I303-V307 PolarHBondContact O-N 2.61Å; I303-I442 HydrophobicContact CG2-CD1 3.75Å
304	A	91	Very high	90.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-40.8	176.4	0	0	0	0	0	112.7	L292 K300 A308 F315 Y351 L416	L292-A304 HydrophobicContact CD1-CB 4.26Å; K300-A304 PolarHBondContact O-N 2.71Å; A304-A308 PolarHBondContact O-N 3.05Å; A304-F315 HydrophobicContact CB-CE2 4.25Å; A304-F315 HydrophobicContact CB-CZ 4.37Å; A304-Y351 HydrophobicContact CB-CD2 3.54Å; A304-Y351 HydrophobicContact CB-CE2 3.61Å; A304-Y351 HydrophobicContact CB-CG 4.19Å; A304-L416 HydrophobicContact CB-CD1 4.13Å
305	K	90.2	Very high	90.1	Very high	70 Å²	70	28.6 Å²	28.6	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-68.6	-39.1	174.8	-73.8	171.8	-178.6	170.5	0	112.6	I251 T301 L302 I303 V307 S309 F315	I251-K305 HydrophobicContact CD1-CB 4.01Å; I251-K305 HydrophobicContact CD1-CD 3.87Å; T301-K305 HydrophobicContact CG2-CD 4.44Å; T301-K305 VanDerWaalsContact O-CG 3.3Å; T301-K305 WeakPolarHBondContact O-CG 3.4Å; T301-K305 PolarHBondContact O-N 2.88Å; L302-K305 PolarHBondContact O-N 3.14Å; I303-K305 VanDerWaalsContact C-N 3.33Å; I303-K305 PolarHBondContact O-N 3.27Å; K305-V307 VanDerWaalsContact C-N 3.32Å; K305-S309 WeakPolarHBondContact O-CB 3.38Å; K305-S309 PolarHBondContact O-N 3.19Å; K305-S309 VanDerWaalsContact O-N 3.1Å; K305-S309 PolarHBondContact O-OG 3.37Å; K305-F315 HydrophobicContact CG-CE1 3.75Å; K305-F315 HydrophobicContact CG-CZ 3.88Å
306	A	90.1	Very high	90.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-40.6	177.6	0	0	0	0	0	111.3	I251 F253 V256 L302 I303 S309 E310	I251-A306 HydrophobicContact CG2-CB 4.15Å; F253-A306 HydrophobicContact CD2-CB 4.21Å; V256-A306 HydrophobicContact CG2-CB 3.47Å; V256-A306 VanDerWaalsContact CG2-CB 3.47Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 3.34Å; I303-A306 PolarHBondContact O-N 3.2Å; A306-S309 PolarHBondContact O-N 3.11Å; A306-E310 WeakPolarHBondContact O-CB 3.47Å; A306-E310 PolarHBondContact O-N 2.93Å
307	V	90.3	Very high	90.1	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-43.6	-179.6	167.5	0	0	0	0	111.6	F253 V266 V270 I303 K305 S309 E310 A311 I349	F253-V307 HydrophobicContact CE2-CG2 4.27Å; V266-V307 HydrophobicContact CB-CG2 3.94Å; V266-V307 HydrophobicContact CG1-CB 3.96Å; V266-V307 HydrophobicContact CG1-CG1 3.62Å; V266-V307 HydrophobicContact CG1-CG2 3.19Å; V270-V307 HydrophobicContact CG2-CB 4.38Å; V270-V307 HydrophobicContact CG2-CG1 3.77Å; I303-V307 HydrophobicContact CG1-CG2 4.25Å; I303-V307 WeakPolarHBondContact O-CB 3.31Å; I303-V307 WeakPolarHBondContact O-CG2 3.14Å; I303-V307 PolarHBondContact O-N 2.61Å; K305-V307 VanDerWaalsContact C-N 3.32Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 2.94Å; V307-E310 PolarHBondContact O-N 3.13Å; V307-A311 WeakPolarHBondContact O-CB 3.37Å; V307-A311 PolarHBondContact O-N 3.42Å; V307-I349 HydrophobicContact CG1-CD1 3.93Å
308	A	89.1	Confident	90.1	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-37.5	174.2	0	0	0	0	0	113	A304 S312 V313 F315 I349	A304-A308 PolarHBondContact O-N 3.05Å; A308-S312 PolarHBondContact O-N 3.37Å; A308-V313 HydrophobicContact CB-CG2 4.46Å; A308-V313 PolarHBondContact O-N 2.82Å; A308-V313 VanDerWaalsContact O-N 3.14Å; A308-F315 HydrophobicContact CB-CB 3.74Å; A308-F315 HydrophobicContact CB-CD2 3.56Å; A308-F315 HydrophobicContact CB-CE2 4.45Å; A308-F315 HydrophobicContact CB-CG 3.97Å; A308-I349 HydrophobicContact CB-CD1 3.92Å
309	S	88.5	Confident	90.1	Very high	45 Å²	45	24.7 Å²	24.7	32%	0.315	15%	0.148	S	C	.	.	H	α-helix	trans	-68.3	-39.7	177.3	-58.6	0	0	0	0	111.8	I251 K305 A306 V307 S312	I251-S309 WeakPolarHBondContact O-CB 3.42Å; I251-S309 PolarHBondContact O-OG 3Å; K305-S309 WeakPolarHBondContact O-CB 3.38Å; K305-S309 PolarHBondContact O-N 3.19Å; K305-S309 VanDerWaalsContact O-N 3.1Å; K305-S309 PolarHBondContact O-OG 3.37Å; A306-S309 PolarHBondContact O-N 3.11Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 2.94Å; S309-S312 PolarHBondContact O-N 3.27Å
310	E	88.5	Confident	89.9	Confident	66 Å²	66	23.6 Å²	23.6	31%	0.308	14%	0.137	S	C	.	.	H	α-helix	trans	-70.5	-40.1	178.4	-173.3	54.9	-131.3	0	0	112	V270 K274 A306 V307 S312	V270-E310 HydrophobicContact CG1-CB 4.35Å; V270-E310 HydrophobicContact CG1-CG 3.83Å; K274-E310 WeakPolarHBondContact CE-O 3.23Å; K274-E310 PolarHBondContact NZ-O 3.38Å; K274-E310 IonicContact NZ-OE1 3.61Å; K274-E310 PolarHBondContact NZ-OE1 3.03Å; A306-E310 WeakPolarHBondContact O-CB 3.47Å; A306-E310 PolarHBondContact O-N 2.93Å; V307-E310 PolarHBondContact O-N 3.13Å; E310-S312 PolarHBondContact O-N 2.98Å
311	A	87.3	Confident	89.6	Confident	9 Å²	9	26.7 Å²	26.7	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-73.9	-11	172.2	0	0	0	0	0	113.1	V270 L273 V307 V313	V270-A311 HydrophobicContact CG1-CB 4.24Å; L273-A311 HydrophobicContact CB-CB 4.01Å; L273-A311 HydrophobicContact CD1-CB 3.71Å; V307-A311 WeakPolarHBondContact O-CB 3.37Å; V307-A311 PolarHBondContact O-N 3.42Å; A311-V313 HydrophobicContact CB-CG1 4.22Å; A311-V313 HydrophobicContact CB-CG2 4Å; A311-V313 PolarHBondContact O-N 3.22Å
312	S	86.7	Confident	89.4	Confident	67 Å²	67	26.6 Å²	26.6	47%	0.469	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	36.6	-176.2	-62.3	0	0	0	0	113.8	P242 A308 S309 E310	P242-S312 WeakPolarHBondContact CG-O 3.46Å; A308-S312 PolarHBondContact O-N 3.37Å; S309-S312 PolarHBondContact O-N 3.27Å; E310-S312 PolarHBondContact O-N 2.98Å
313	V	87.9	Confident	89.1	Confident	7 Å²	7	23.7 Å²	23.7	4%	0.042	14%	0.137	C	C	.	.			trans	-108.5	153.5	179.3	-62.9	0	0	0	0	112	P242 L273 A308 A311 P347 I349	P242-V313 WeakPolarHBondContact CD-O 3.47Å; L273-V313 HydrophobicContact CB-CG1 4.38Å; L273-V313 HydrophobicContact CD1-CG1 4.27Å; L273-V313 HydrophobicContact CD1-CG2 3.9Å; L273-V313 HydrophobicContact CD2-CG1 4.47Å; A308-V313 HydrophobicContact CB-CG2 4.46Å; A308-V313 PolarHBondContact O-N 2.82Å; A308-V313 VanDerWaalsContact O-N 3.14Å; A311-V313 HydrophobicContact CB-CG1 4.22Å; A311-V313 HydrophobicContact CB-CG2 4Å; A311-V313 PolarHBondContact O-N 3.22Å; V313-P347 WeakPolarHBondContact CB-O 3.38Å; V313-P347 HydrophobicContact CG1-CB 4.26Å; V313-P347 HydrophobicContact CG1-CG 4.11Å; V313-I349 HydrophobicContact CG2-CD1 3.83Å; V313-I349 HydrophobicContact CG2-CG1 3.82Å
314	P	90.4	Very high	88.5	Confident	19 Å²	19	26.3 Å²	26.3	12%	0.123	15%	0.153	C	C	.	.			trans	-56	138.4	170.7	-24.1	35.3	0	0	0	112.4	L345 P347 C348 I349	P314-L345 HydrophobicContact CB-CB 4.48Å; P314-P347 VanDerWaalsContact CD-O 3.27Å; P314-P347 WeakPolarHBondContact CD-O 3.25Å; P314-C348 HydrophobicContact CB-CB 4.19Å; P314-C348 WeakPolarHBondContact O-CA 3.27Å; P314-C348 WeakPolarHBondContact O-CB 3.33Å; P314-I349 PolarHBondContact O-N 2.88Å
315	F	90.7	Very high	87.9	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.6	179.2	-178	-105.2	0	0	0	110	I240 A304 K305 A308 A317 I349 Y351	I240-F315 HydrophobicContact CB-CB 4.28Å; I240-F315 HydrophobicContact CB-CD1 4.39Å; I240-F315 HydrophobicContact CD1-CD1 3.98Å; I240-F315 HydrophobicContact CD1-CE1 4.44Å; I240-F315 HydrophobicContact CG1-CD1 4.48Å; I240-F315 PolarHBondContact N-O 3.39Å; I240-F315 PolarHBondContact O-N 3.42Å; A304-F315 HydrophobicContact CB-CE2 4.25Å; A304-F315 HydrophobicContact CB-CZ 4.37Å; K305-F315 HydrophobicContact CG-CE1 3.75Å; K305-F315 HydrophobicContact CG-CZ 3.88Å; A308-F315 HydrophobicContact CB-CB 3.74Å; A308-F315 HydrophobicContact CB-CD2 3.56Å; A308-F315 HydrophobicContact CB-CE2 4.45Å; A308-F315 HydrophobicContact CB-CG 3.97Å; F315-A317 HydrophobicContact CD1-CB 4.11Å; F315-A317 HydrophobicContact CE1-CB 3.61Å; F315-A317 HydrophobicContact CZ-CB 4.32Å; F315-I349 WeakPolarHBondContact CA-O 3.27Å; F315-I349 HydrophobicContact CD2-CB 4.26Å; F315-I349 HydrophobicContact CD2-CG2 3.95Å; F315-I349 HydrophobicContact CE2-CG2 4.18Å; F315-Y351 HydrophobicContact CE1-CD1 4.47Å; F315-Y351 AromaticContact CE2-CG 3.99Å; F315-Y351 HydrophobicContact CE2-CG 3.99Å; F315-Y351 AromaticContact CZ-CD1 3.75Å; F315-Y351 HydrophobicContact CZ-CD1 3.75Å; F315-Y351 AromaticContact CZ-CG 3.63Å; F315-Y351 HydrophobicContact CZ-CG 3.63Å
316	L	91.5	Very high	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.3	174.9	-62	93.8	0	0	0	108.5	Y237 L338 E341 L345 C348 I349 V350 Y351	Y237-L316 HydrophobicContact CD2-CD2 3.85Å; Y237-L316 HydrophobicContact CE2-CD2 3.81Å; L316-L338 HydrophobicContact CB-CD1 4.39Å; L316-L338 HydrophobicContact CD2-CD1 4.18Å; L316-E341 HydrophobicContact CD2-CB 4.44Å; L316-L345 HydrophobicContact CD1-CD1 4.25Å; L316-L345 HydrophobicContact CD2-CD1 4.3Å; L316-L345 HydrophobicContact CG-CD1 4.46Å; L316-C348 HydrophobicContact CD1-CB 3.95Å; L316-I349 PolarHBondContact N-O 3.27Å; L316-V350 HydrophobicContact CB-CG2 4.48Å; L316-V350 HydrophobicContact CD1-CG2 4.34Å; L316-V350 CarbonylContact O-C 3.58Å; L316-Y351 PolarHBondContact O-N 3.26Å
317	A	91.3	Very high	86.4	Confident	24 Å²	24	39.1 Å²	39.1	20%	0.198	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.9	178.7	0	0	0	0	0	111.6	R238 F315 Y351	R238-A317 PolarHBondContact N-O 2.94Å; R238-A317 PolarHBondContact O-N 3.29Å; R238-A317 VanDerWaalsContact O-N 3.14Å; F315-A317 HydrophobicContact CD1-CB 4.11Å; F315-A317 HydrophobicContact CE1-CB 3.61Å; F315-A317 HydrophobicContact CZ-CB 4.32Å; A317-Y351 WeakPolarHBondContact CA-O 3.46Å; A317-Y351 HydrophobicContact CB-CD1 4.35Å
318	I	91.3	Very high	85.5	Confident	8 Å²	8	42 Å²	42	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.9	174.7	-173.2	151.4	0	0	0	110	A235 E322 F323 L338 Y351 I352 D353	A235-I318 HydrophobicContact CB-CD1 4.2Å; I318-E322 HydrophobicContact CG1-CB 4.24Å; I318-E322 WeakPolarHBondContact CG1-OE2 3.47Å; I318-F323 HydrophobicContact CD1-CD1 4.48Å; I318-F323 HydrophobicContact CD1-CE1 3.62Å; I318-F323 HydrophobicContact CD1-CE2 4.18Å; I318-F323 HydrophobicContact CD1-CZ 3.45Å; I318-F323 VanDerWaalsContact CD1-CZ 3.45Å; I318-F323 HydrophobicContact CG1-CE1 4.47Å; I318-F323 HydrophobicContact CG1-CE2 4.17Å; I318-F323 HydrophobicContact CG1-CZ 3.9Å; I318-F323 HydrophobicContact CG2-CE2 4.09Å; I318-F323 HydrophobicContact CG2-CZ 3.93Å; I318-L338 HydrophobicContact CG2-CD2 3.96Å; I318-Y351 PolarHBondContact N-O 3.32Å; I318-I352 HydrophobicContact CG2-CB 4.36Å; I318-I352 HydrophobicContact CG2-CG1 3.82Å; I318-I352 HydrophobicContact CG2-CG2 4.49Å; I318-I352 WeakPolarHBondContact O-CA 3.3Å; I318-D353 PolarHBondContact O-N 2.94Å
319	N	90.6	Very high	85	Confident	52 Å²	52	42.9 Å²	42.9	28%	0.278	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	171	-176.6	-36.4	0	0	0	109.1	T321 E322 E354	N319-T321 PolarHBondContact O-N 3.5Å; N319-T321 PolarHBondContact OD1-N 2.96Å; N319-T321 PolarHBondContact OD1-OG1 3.34Å; N319-E322 WeakPolarHBondContact O-CB 3.5Å; N319-E322 PolarHBondContact O-N 2.9Å; N319-E354 PolarHBondContact ND2-OE2 3.14Å; N319-E354 PolarHBondContact OD1-OE2 3.31Å
320	G	85.3	Confident	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.9	178.1	0	0	0	0	0	114.2	E322 F323 D353	G320-E322 PolarHBondContact O-N 3.19Å; G320-F323 WeakPolarHBondContact O-CB 3.29Å; G320-F323 PolarHBondContact O-N 3.16Å; G320-F323 VanDerWaalsContact O-N 3.12Å; G320-D353 WeakPolarHBondContact CA-O 3.48Å; G320-D353 PolarHBondContact N-O 3.44Å
321	T	86.8	Confident	84.5	Confident	76 Å²	76	38.6 Å²	38.6	47%	0.466	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.4	-25	173.2	54.3	0	0	0	0	113	N319 F323 V324 A357	N319-T321 PolarHBondContact O-N 3.5Å; N319-T321 PolarHBondContact OD1-N 2.96Å; N319-T321 PolarHBondContact OD1-OG1 3.34Å; T321-F323 PolarHBondContact O-N 2.84Å; T321-V324 PolarHBondContact O-N 2.95Å; T321-A357 HydrophobicContact CG2-CB 4.05Å
322	E	85.9	Confident	84.4	Confident	42 Å²	42	38.3 Å²	38.3	20%	0.196	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71	-12.2	177.4	-154.1	-168.8	140.3	0	0	112.7	Q236 I318 N319 G320 R334	Q236-E322 VanDerWaalsContact CA-OE1 3.31Å; Q236-E322 WeakPolarHBondContact CA-OE1 3.25Å; Q236-E322 WeakPolarHBondContact CB-OE1 3.47Å; Q236-E322 PolarHBondContact N-OE1 3.43Å; I318-E322 HydrophobicContact CG1-CB 4.24Å; I318-E322 WeakPolarHBondContact CG1-OE2 3.47Å; N319-E322 WeakPolarHBondContact O-CB 3.5Å; N319-E322 PolarHBondContact O-N 2.9Å; G320-E322 PolarHBondContact O-N 3.19Å; E322-R334 PolarHBondContact O-NH1 3.18Å
323	F	84.5	Confident	84.4	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-90.3	-13	175.4	-65.8	-56.3	0	0	0	113.7	I318 G320 T321 G331 R334 V335 L338 I352 V358 T379	I318-F323 HydrophobicContact CD1-CD1 4.48Å; I318-F323 HydrophobicContact CD1-CE1 3.62Å; I318-F323 HydrophobicContact CD1-CE2 4.18Å; I318-F323 HydrophobicContact CD1-CZ 3.45Å; I318-F323 VanDerWaalsContact CD1-CZ 3.45Å; I318-F323 HydrophobicContact CG1-CE1 4.47Å; I318-F323 HydrophobicContact CG1-CE2 4.17Å; I318-F323 HydrophobicContact CG1-CZ 3.9Å; I318-F323 HydrophobicContact CG2-CE2 4.09Å; I318-F323 HydrophobicContact CG2-CZ 3.93Å; G320-F323 WeakPolarHBondContact O-CB 3.29Å; G320-F323 PolarHBondContact O-N 3.16Å; G320-F323 VanDerWaalsContact O-N 3.12Å; T321-F323 PolarHBondContact O-N 2.84Å; F323-G331 VanDerWaalsContact O-CA 3.27Å; F323-G331 WeakPolarHBondContact O-CA 3.39Å; F323-R334 HydrophobicContact CD1-CB 4.06Å; F323-R334 HydrophobicContact CE1-CB 4.13Å; F323-V335 HydrophobicContact CD1-CG2 3.77Å; F323-V335 HydrophobicContact CE1-CG2 3.65Å; F323-V335 HydrophobicContact CG-CG2 4.42Å; F323-V335 HydrophobicContact CZ-CG2 4.2Å; F323-L338 HydrophobicContact CZ-CD2 4.02Å; F323-I352 HydrophobicContact CE2-CG2 4.14Å; F323-V358 HydrophobicContact CB-CG1 3.7Å; F323-T379 HydrophobicContact CB-CG2 3.84Å; F323-T379 HydrophobicContact CG-CG2 4.33Å
324	V	80.6	Confident	84.3	Confident	56 Å²	56	36 Å²	36	34%	0.339	21%	0.214	S	C	.	.			trans	-89.7	116	-177.2	-176.2	0	0	0	0	108.8	T321 A357 V358	T321-V324 PolarHBondContact O-N 2.95Å; V324-A357 HydrophobicContact CG2-CB 4.38Å; V324-V358 HydrophobicContact CG2-CG1 4.06Å
325	E	77.7	Confident	84.2	Confident	62 Å²	62	35.2 Å²	35.2	29%	0.29	21%	0.209	S	C	.	.			trans	-137.1	146.2	-174	-75.8	-72.7	-179	0	0	111.5	I327 L330 R334 E375	E325-I327 PolarHBondContact O-N 2.89Å; E325-L330 HydrophobicContact CB-CB 4.17Å; E325-L330 HydrophobicContact CB-CD2 4.3Å; E325-L330 HydrophobicContact CG-CB 4.36Å; E325-L330 HydrophobicContact CG-CD2 3.96Å; E325-L330 HydrophobicContact CG-CG 4.33Å; E325-R334 IonicContact OE1-CZ 3.77Å; E325-R334 IonicContact OE1-NH1 3.82Å; E325-R334 PolarHBondContact OE1-NH1 3.46Å; E325-R334 IonicContact OE1-NH2 3.24Å; E325-R334 PolarHBondContact OE1-NH2 3.01Å; E325-E375 PolarHBondContact N-OE2 3.49Å; E325-E375 VanDerWaalsContact O-CD 3.25Å; E325-E375 VanDerWaalsContact O-OE2 3.06Å
326	I	75.9	Confident	84	Confident	175 Å²	175	40.4 Å²	40.4	90%	0.897	23%	0.228	S	C	*	.	S	Bend	trans	-64.9	-27.5	-179.7	-57.9	173.2	0	0	0	111.1
327	I	72.7	Confident	83.8	Confident	104 Å²	104	42.5 Å²	42.5	53%	0.533	24%	0.239	S	C	.	.	S	Bend	trans	-93.4	111	-178.7	-56.6	174.2	0	0	0	109.3	E325 G329 L330	E325-I327 PolarHBondContact O-N 2.89Å; I327-G329 PolarHBondContact O-N 2.78Å; I327-L330 WeakPolarHBondContact O-CB 3.47Å; I327-L330 PolarHBondContact O-N 2.67Å
328	G	73.2	Confident	83.7	Confident	60 Å²	60	41.4 Å²	41.4	62%	0.619	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	131.6	178.9	0	0	0	0	0	113.8
329	G	77	Confident	83.6	Confident	22 Å²	22	41 Å²	41	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	-3.6	175.2	0	0	0	0	0	115.5	I327 A333	I327-G329 PolarHBondContact O-N 2.78Å; G329-A333 PolarHBondContact O-N 3.15Å
330	L	82.7	Confident	83.5	Confident	20 Å²	20	45.4 Å²	45.4	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-41.3	173.5	-168.5	59.7	0	0	0	111.3	R233 E325 I327 A332 A333 R334	R233-L330 HydrophobicContact CB-CD1 4.37Å; R233-L330 HydrophobicContact CG-CD1 3.75Å; E325-L330 HydrophobicContact CB-CB 4.17Å; E325-L330 HydrophobicContact CB-CD2 4.3Å; E325-L330 HydrophobicContact CG-CB 4.36Å; E325-L330 HydrophobicContact CG-CD2 3.96Å; E325-L330 HydrophobicContact CG-CG 4.33Å; I327-L330 WeakPolarHBondContact O-CB 3.47Å; I327-L330 PolarHBondContact O-N 2.67Å; L330-A332 PolarHBondContact O-N 2.93Å; L330-A333 WeakPolarHBondContact O-CB 3.22Å; L330-A333 PolarHBondContact O-N 2.94Å; L330-A333 VanDerWaalsContact O-N 3.07Å; L330-R334 PolarHBondContact O-N 2.78Å
331	G	84.1	Confident	83.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-49.5	173.3	0	0	0	0	0	112.5	F323 A333 R334 V335	F323-G331 VanDerWaalsContact O-CA 3.27Å; F323-G331 WeakPolarHBondContact O-CA 3.39Å; G331-A333 VanDerWaalsContact C-N 3.27Å; G331-A333 PolarHBondContact O-N 2.68Å; G331-R334 WeakPolarHBondContact O-CB 3.42Å; G331-R334 PolarHBondContact O-N 2.95Å; G331-R334 VanDerWaalsContact O-N 3.12Å; G331-V335 WeakPolarHBondContact O-CG2 3.47Å; G331-V335 PolarHBondContact O-N 3.21Å
332	A	85.7	Confident	83.5	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-29.3	175.5	0	0	0	0	0	113.9	L330 R336 T379 Q382	L330-A332 PolarHBondContact O-N 2.93Å; A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NE 3.38Å; A332-T379 PolarHBondContact N-OG1 3.04Å; A332-Q382 HydrophobicContact CB-CB 3.93Å; A332-Q382 HydrophobicContact CB-CG 3.98Å
333	A	86.1	Confident	83.5	Confident	5 Å²	5	44 Å²	44	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-71.2	-41.9	173	0	0	0	0	0	111.8	G329 L330 G331 V335 R336 D337	G329-A333 PolarHBondContact O-N 3.15Å; L330-A333 WeakPolarHBondContact O-CB 3.22Å; L330-A333 PolarHBondContact O-N 2.94Å; L330-A333 VanDerWaalsContact O-N 3.07Å; G331-A333 VanDerWaalsContact C-N 3.27Å; G331-A333 PolarHBondContact O-N 2.68Å; A333-V335 PolarHBondContact O-N 2.91Å; A333-R336 PolarHBondContact O-N 2.88Å; A333-D337 PolarHBondContact O-N 2.78Å
334	R	85.9	Confident	83.6	Confident	21 Å²	21	52.1 Å²	52.1	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-41.8	176.6	-75.1	-173.7	-176.3	160.8	10.9	112.4	L232 R233 A235 E322 F323 E325 L330 G331 R336 D337 L338	L232-R334 PolarHBondContact O-NH2 3.12Å; R233-R334 WeakPolarHBondContact O-CG 3.2Å; A235-R334 HydrophobicContact CB-CB 3.92Å; A235-R334 HydrophobicContact CB-CG 3.93Å; E322-R334 PolarHBondContact O-NH1 3.18Å; F323-R334 HydrophobicContact CD1-CB 4.06Å; F323-R334 HydrophobicContact CE1-CB 4.13Å; E325-R334 IonicContact OE1-CZ 3.77Å; E325-R334 IonicContact OE1-NH1 3.82Å; E325-R334 PolarHBondContact OE1-NH1 3.46Å; E325-R334 IonicContact OE1-NH2 3.24Å; E325-R334 PolarHBondContact OE1-NH2 3.01Å; L330-R334 PolarHBondContact O-N 2.78Å; G331-R334 WeakPolarHBondContact O-CB 3.42Å; G331-R334 PolarHBondContact O-N 2.95Å; G331-R334 VanDerWaalsContact O-N 3.12Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 2.76Å; R334-D337 PolarHBondContact O-N 2.89Å; R334-L338 WeakPolarHBondContact O-CB 3.49Å; R334-L338 PolarHBondContact O-N 2.94Å
335	V	88.3	Confident	83.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-45.7	174.9	172.1	0	0	0	0	111	F323 G331 A333 D337 L338 F339 T379 Q382 L383 E386	F323-V335 HydrophobicContact CD1-CG2 3.77Å; F323-V335 HydrophobicContact CE1-CG2 3.65Å; F323-V335 HydrophobicContact CG-CG2 4.42Å; F323-V335 HydrophobicContact CZ-CG2 4.2Å; G331-V335 WeakPolarHBondContact O-CG2 3.47Å; G331-V335 PolarHBondContact O-N 3.21Å; A333-V335 PolarHBondContact O-N 2.91Å; V335-D337 PolarHBondContact O-N 3.07Å; V335-L338 WeakPolarHBondContact O-CB 3.4Å; V335-L338 PolarHBondContact O-N 2.86Å; V335-F339 HydrophobicContact CG1-CD2 4.17Å; V335-F339 HydrophobicContact CG1-CE2 4.3Å; V335-F339 WeakPolarHBondContact O-CD2 3.37Å; V335-F339 PolarHBondContact O-N 3.26Å; V335-T379 HydrophobicContact CG2-CG2 3.85Å; V335-Q382 HydrophobicContact CB-CG 4.25Å; V335-Q382 HydrophobicContact CG1-CG 4.07Å; V335-L383 HydrophobicContact CG1-CB 4.1Å; V335-L383 HydrophobicContact CG1-CD1 4.21Å; V335-E386 HydrophobicContact CG1-CG 4.03Å
336	R	87.5	Confident	84.1	Confident	116 Å²	116	52.2 Å²	52.2	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-43.4	177.3	-74.9	-175.6	-71.6	174.7	-3.2	112.7	A332 A333 R334 L338 F339 K340 Q382 E386	A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NE 3.38Å; A333-R336 PolarHBondContact O-N 2.88Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 2.76Å; R336-L338 VanDerWaalsContact C-N 3.34Å; R336-F339 PolarHBondContact O-N 3.08Å; R336-K340 VanDerWaalsContact O-CB 3.31Å; R336-K340 WeakPolarHBondContact O-CB 3.49Å; R336-K340 PolarHBondContact O-N 3Å; R336-Q382 HydrophobicContact CG-CG 4.29Å; R336-E386 WeakPolarHBondContact CG-OE1 3.32Å
337	D	87.8	Confident	84.6	Confident	44 Å²	44	47.1 Å²	47.1	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-38.7	178.6	-71	-20.2	0	0	0	111.3	A333 R334 V335 K340 E341	A333-D337 PolarHBondContact O-N 2.78Å; R334-D337 PolarHBondContact O-N 2.89Å; V335-D337 PolarHBondContact O-N 3.07Å; D337-K340 PolarHBondContact O-N 2.77Å; D337-E341 WeakPolarHBondContact O-CB 3.47Å; D337-E341 WeakPolarHBondContact O-CG 3.11Å; D337-E341 PolarHBondContact O-N 2.91Å; D337-E341 VanDerWaalsContact O-N 3.09Å
338	L	88.3	Confident	85.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-49.1	174.2	177.9	67.2	0	0	0	112.1	Y237 L316 I318 F323 R334 V335 R336 E341 A342 V350	Y237-L338 HydrophobicContact CG-CD1 4.21Å; L316-L338 HydrophobicContact CB-CD1 4.39Å; L316-L338 HydrophobicContact CD2-CD1 4.18Å; I318-L338 HydrophobicContact CG2-CD2 3.96Å; F323-L338 HydrophobicContact CZ-CD2 4.02Å; R334-L338 WeakPolarHBondContact O-CB 3.49Å; R334-L338 PolarHBondContact O-N 2.94Å; V335-L338 WeakPolarHBondContact O-CB 3.4Å; V335-L338 PolarHBondContact O-N 2.86Å; R336-L338 VanDerWaalsContact C-N 3.34Å; L338-E341 PolarHBondContact O-N 3.22Å; L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.9Å; L338-V350 HydrophobicContact CD1-CG1 4.36Å; L338-V350 HydrophobicContact CD2-CG1 3.86Å; L338-V350 HydrophobicContact CG-CG1 4.22Å
339	F	88.7	Confident	86.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-32.7	179.8	-85.7	-95.9	0	0	0	112.8	V335 R336 E341 A342 K343 L383 E386 M387 V415	V335-F339 HydrophobicContact CG1-CD2 4.17Å; V335-F339 HydrophobicContact CG1-CE2 4.3Å; V335-F339 WeakPolarHBondContact O-CD2 3.37Å; V335-F339 PolarHBondContact O-N 3.26Å; R336-F339 PolarHBondContact O-N 3.08Å; F339-E341 VanDerWaalsContact C-N 3.28Å; F339-E341 PolarHBondContact O-N 3.06Å; F339-A342 PolarHBondContact O-N 3.08Å; F339-K343 VanDerWaalsContact O-CB 3.32Å; F339-K343 WeakPolarHBondContact O-CB 3.43Å; F339-K343 WeakPolarHBondContact O-CD 3.48Å; F339-K343 WeakPolarHBondContact O-CG 3.46Å; F339-K343 PolarHBondContact O-N 2.7Å; F339-L383 HydrophobicContact CE2-CD1 3.52Å; F339-L383 HydrophobicContact CZ-CD1 3.94Å; F339-E386 HydrophobicContact CB-CB 4.19Å; F339-E386 HydrophobicContact CB-CG 4.21Å; F339-E386 HydrophobicContact CD1-CB 3.81Å; F339-E386 HydrophobicContact CD2-CB 3.61Å; F339-E386 HydrophobicContact CD2-CG 3.99Å; F339-E386 HydrophobicContact CE1-CB 4.02Å; F339-E386 HydrophobicContact CE2-CB 3.86Å; F339-E386 HydrophobicContact CG-CB 3.58Å; F339-E386 HydrophobicContact CG-CG 4.05Å; F339-E386 HydrophobicContact CZ-CB 4.05Å; F339-M387 HydrophobicContact CE1-CG 4.21Å; F339-M387 HydrophobicContact CZ-CG 3.74Å; F339-V415 HydrophobicContact CE1-CG2 4.05Å; F339-V415 HydrophobicContact CZ-CG2 3.93Å
340	K	88.6	Confident	87	Confident	144 Å²	144	38.2 Å²	38.2	63%	0.626	17%	0.172	S	C	*	.	H	α-helix	trans	-60.5	-40.8	172.5	-176.3	178.1	178.8	-178.7	0	111.5	R336 D337 R344	R336-K340 VanDerWaalsContact O-CB 3.31Å; R336-K340 WeakPolarHBondContact O-CB 3.49Å; R336-K340 PolarHBondContact O-N 3Å; D337-K340 PolarHBondContact O-N 2.77Å; K340-R344 PolarHBondContact O-N 3.29Å
341	E	85.9	Confident	87.5	Confident	40 Å²	40	37.5 Å²	37.5	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-73.7	-40.2	177.9	-73.6	-72.6	148.8	0	0	112.1	Y237 L316 D337 L338 F339 K343 R344 L345	Y237-E341 HydrophobicContact CE2-CB 4.42Å; Y237-E341 WeakPolarHBondContact OH-CG 3.16Å; Y237-E341 PolarHBondContact OH-OE2 3.21Å; L316-E341 HydrophobicContact CD2-CB 4.44Å; D337-E341 WeakPolarHBondContact O-CB 3.47Å; D337-E341 WeakPolarHBondContact O-CG 3.11Å; D337-E341 PolarHBondContact O-N 2.91Å; D337-E341 VanDerWaalsContact O-N 3.09Å; L338-E341 PolarHBondContact O-N 3.22Å; F339-E341 VanDerWaalsContact C-N 3.28Å; F339-E341 PolarHBondContact O-N 3.06Å; E341-K343 VanDerWaalsContact C-N 3.34Å; E341-K343 PolarHBondContact O-N 3.49Å; E341-R344 WeakPolarHBondContact O-CB 3.44Å; E341-R344 PolarHBondContact O-N 3.26Å; E341-R344 VanDerWaalsContact O-N 3.12Å; E341-R344 IonicContact OE1-CZ 3.29Å; E341-R344 IonicContact OE1-NE 3.6Å; E341-R344 IonicContact OE1-NH2 2.68Å; E341-R344 IonicContact OE2-CZ 3.94Å; E341-R344 VanDerWaalsContact OE2-CZ 3.24Å; E341-R344 IonicContact OE2-NE 3.08Å; E341-R344 PolarHBondContact OE2-NE 3.44Å; E341-R344 IonicContact OE2-NH2 3.47Å; E341-R344 PolarHBondContact OE2-NH2 3.04Å; E341-L345 PolarHBondContact O-N 2.68Å; E341-L345 VanDerWaalsContact O-N 3.13Å
342	A	87.6	Confident	87.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-44.2	171.7	0	0	0	0	0	111.6	L338 F339 R344 L345 K346 C348 V350 V413	L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.9Å; F339-A342 PolarHBondContact O-N 3.08Å; A342-R344 PolarHBondContact O-N 2.94Å; A342-L345 PolarHBondContact O-N 3.16Å; A342-L345 VanDerWaalsContact O-N 3.09Å; A342-K346 PolarHBondContact O-N 2.87Å; A342-C348 PolarHBondContact O-SG 2.78Å; A342-V350 HydrophobicContact CB-CG2 3.58Å; A342-V413 HydrophobicContact CB-CG1 4.09Å; A342-V413 HydrophobicContact CB-CG2 4.32Å
343	K	85.9	Confident	88.3	Confident	50 Å²	50	39.1 Å²	39.1	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-30.7	175.9	-74.6	164.8	-175.3	162.5	0	112.4	F339 E341 E386 E391	F339-K343 VanDerWaalsContact O-CB 3.32Å; F339-K343 WeakPolarHBondContact O-CB 3.43Å; F339-K343 WeakPolarHBondContact O-CD 3.48Å; F339-K343 WeakPolarHBondContact O-CG 3.46Å; F339-K343 PolarHBondContact O-N 2.7Å; E341-K343 VanDerWaalsContact C-N 3.34Å; E341-K343 PolarHBondContact O-N 3.49Å; K343-E386 IonicContact NZ-OE2 2.85Å; K343-E386 PolarHBondContact NZ-OE2 3Å; K343-E386 VanDerWaalsContact NZ-OE2 3.08Å; K343-E391 IonicContact NZ-OE2 3.4Å; K343-E391 PolarHBondContact NZ-OE2 2.86Å
344	R	86.3	Confident	88.6	Confident	171 Å²	171	42.1 Å²	42.1	65%	0.645	19%	0.189	S	C	*	.	H	α-helix	trans	-76	-31.3	175.9	-174.4	175.7	69.6	150.3	0.8	113.2	K340 E341 A342	K340-R344 PolarHBondContact O-N 3.29Å; E341-R344 WeakPolarHBondContact O-CB 3.44Å; E341-R344 PolarHBondContact O-N 3.26Å; E341-R344 VanDerWaalsContact O-N 3.12Å; E341-R344 IonicContact OE1-CZ 3.29Å; E341-R344 IonicContact OE1-NE 3.6Å; E341-R344 IonicContact OE1-NH2 2.68Å; E341-R344 IonicContact OE2-CZ 3.94Å; E341-R344 VanDerWaalsContact OE2-CZ 3.24Å; E341-R344 IonicContact OE2-NE 3.08Å; E341-R344 PolarHBondContact OE2-NE 3.44Å; E341-R344 IonicContact OE2-NH2 3.47Å; E341-R344 PolarHBondContact OE2-NH2 3.04Å; A342-R344 PolarHBondContact O-N 2.94Å
345	L	84.3	Confident	88.8	Confident	47 Å²	47	41.1 Å²	41.1	25%	0.246	19%	0.185	C	C	.	.	S	Bend	trans	-97	11.3	-173.7	-67.7	176.3	0	0	0	114.3	I239 P314 L316 E341 A342 P347 C348	I239-L345 HydrophobicContact CG2-CD1 4.35Å; P314-L345 HydrophobicContact CB-CB 4.48Å; L316-L345 HydrophobicContact CD1-CD1 4.25Å; L316-L345 HydrophobicContact CD2-CD1 4.3Å; L316-L345 HydrophobicContact CG-CD1 4.46Å; E341-L345 PolarHBondContact O-N 2.68Å; E341-L345 VanDerWaalsContact O-N 3.13Å; A342-L345 PolarHBondContact O-N 3.16Å; A342-L345 VanDerWaalsContact O-N 3.09Å; L345-P347 CarbonylContact O-C 3.56Å; L345-C348 HydrophobicContact CB-CB 4.24Å
346	K	83.7	Confident	88.8	Confident	73 Å²	73	42.4 Å²	42.4	32%	0.317	19%	0.192	S	C	.	.			trans	-56.2	140.4	-178.2	-74.5	174.2	170	-170.4	0	113	A342 T409 A411 V413	A342-K346 PolarHBondContact O-N 2.87Å; K346-T409 PolarHBondContact NZ-O 3.15Å; K346-A411 WeakPolarHBondContact CD-O 3.46Å; K346-A411 VanDerWaalsContact CE-O 3.25Å; K346-A411 WeakPolarHBondContact CE-O 3.04Å; K346-A411 PolarHBondContact NZ-O 2.86Å; K346-V413 HydrophobicContact CD-CG2 4.21Å; K346-V413 HydrophobicContact CG-CG2 3.65Å
347	P	86.6	Confident	88.8	Confident	67 Å²	67	38.1 Å²	38.1	44%	0.435	18%	0.181	S	C	.	.	S	Bend	cis	-73.9	136.9	-7.1	30.1	-34.1	0	0	0	111.7	L273 V313 P314 L345 G412	L273-P347 HydrophobicContact CD2-CB 4.04Å; V313-P347 WeakPolarHBondContact CB-O 3.38Å; V313-P347 HydrophobicContact CG1-CB 4.26Å; V313-P347 HydrophobicContact CG1-CG 4.11Å; P314-P347 VanDerWaalsContact CD-O 3.27Å; P314-P347 WeakPolarHBondContact CD-O 3.25Å; L345-P347 CarbonylContact O-C 3.56Å; P347-G412 CarbonylContact C-O 3.55Å; P347-G412 VanDerWaalsContact CA-O 3.29Å; P347-G412 WeakPolarHBondContact CA-O 3.35Å
348	C	88.7	Confident	88.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.4	-178.8	69.6	0	0	0	0	113.2	P314 L316 A342 L345 G412 I414	P314-C348 HydrophobicContact CB-CB 4.19Å; P314-C348 WeakPolarHBondContact O-CA 3.27Å; P314-C348 WeakPolarHBondContact O-CB 3.33Å; L316-C348 HydrophobicContact CD1-CB 3.95Å; A342-C348 PolarHBondContact O-SG 2.78Å; L345-C348 HydrophobicContact CB-CB 4.24Å; C348-G412 PolarHBondContact N-O 2.87Å; C348-I414 PolarHBondContact O-N 2.82Å
349	I	91.3	Very high	88.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	172.8	-66.2	173.8	0	0	0	109.4	L273 V307 A308 V313 P314 F315 L316 I414 L416	L273-I349 HydrophobicContact CD1-CD1 3.73Å; L273-I349 HydrophobicContact CD1-CG1 3.86Å; V307-I349 HydrophobicContact CG1-CD1 3.93Å; A308-I349 HydrophobicContact CB-CD1 3.92Å; V313-I349 HydrophobicContact CG2-CD1 3.83Å; V313-I349 HydrophobicContact CG2-CG1 3.82Å; P314-I349 PolarHBondContact O-N 2.88Å; F315-I349 WeakPolarHBondContact CA-O 3.27Å; F315-I349 HydrophobicContact CD2-CB 4.26Å; F315-I349 HydrophobicContact CD2-CG2 3.95Å; F315-I349 HydrophobicContact CE2-CG2 4.18Å; L316-I349 PolarHBondContact N-O 3.27Å; I349-I414 WeakPolarHBondContact CA-O 3.36Å; I349-I414 HydrophobicContact CG1-CB 4.43Å; I349-L416 HydrophobicContact CG2-CD1 3.77Å; I349-L416 HydrophobicContact CG2-CG 3.98Å
350	V	92.4	Very high	87.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.9	169.4	178.6	0	0	0	0	107.9	L316 L338 A342 I352 V413 I414 V415 L416	L316-V350 HydrophobicContact CB-CG2 4.48Å; L316-V350 HydrophobicContact CD1-CG2 4.34Å; L316-V350 CarbonylContact O-C 3.58Å; L338-V350 HydrophobicContact CD1-CG1 4.36Å; L338-V350 HydrophobicContact CD2-CG1 3.86Å; L338-V350 HydrophobicContact CG-CG1 4.22Å; A342-V350 HydrophobicContact CB-CG2 3.58Å; V350-I352 HydrophobicContact CG1-CG1 4.37Å; V350-V413 HydrophobicContact CG2-CG1 4Å; V350-I414 PolarHBondContact N-O 2.98Å; V350-V415 HydrophobicContact CB-CG2 4.45Å; V350-V415 CarbonylContact O-C 3.57Å; V350-V415 WeakPolarHBondContact O-CA 3.41Å; V350-L416 PolarHBondContact O-N 3.32Å
351	Y	94.3	Very high	87	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.8	178.7	176.6	-106.3	0	0	0	111.2	L292 T301 A304 F315 L316 A317 I318 D353 L416 S418	L292-Y351 HydrophobicContact CD1-CE2 4.49Å; T301-Y351 VanDerWaalsContact CA-OH 3.29Å; T301-Y351 WeakPolarHBondContact CA-OH 3.25Å; T301-Y351 HydrophobicContact CG2-CE1 3.82Å; T301-Y351 PolarHBondContact OG1-OH 3.21Å; T301-Y351 VanDerWaalsContact OG1-OH 3.11Å; A304-Y351 HydrophobicContact CB-CD2 3.54Å; A304-Y351 HydrophobicContact CB-CE2 3.61Å; A304-Y351 HydrophobicContact CB-CG 4.19Å; F315-Y351 HydrophobicContact CE1-CD1 4.47Å; F315-Y351 AromaticContact CE2-CG 3.99Å; F315-Y351 HydrophobicContact CE2-CG 3.99Å; F315-Y351 AromaticContact CZ-CD1 3.75Å; F315-Y351 HydrophobicContact CZ-CD1 3.75Å; F315-Y351 AromaticContact CZ-CG 3.63Å; F315-Y351 HydrophobicContact CZ-CG 3.63Å; L316-Y351 PolarHBondContact O-N 3.26Å; A317-Y351 WeakPolarHBondContact CA-O 3.46Å; A317-Y351 HydrophobicContact CB-CD1 4.35Å; I318-Y351 PolarHBondContact N-O 3.32Å; Y351-D353 HydrophobicContact CE1-CB 3.85Å; Y351-L416 CarbonylContact C-O 3.56Å; Y351-L416 VanDerWaalsContact CA-O 3.22Å; Y351-L416 WeakPolarHBondContact CA-O 3.21Å; Y351-L416 HydrophobicContact CD2-CB 3.95Å; Y351-S418 VanDerWaalsContact CZ-OG 3.28Å; Y351-S418 PolarHBondContact OH-OG 3.28Å
352	I	93.1	Very high	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.4	178	-54.2	176.9	0	0	0	108.5	I318 F323 V350 I355 L383 V415 L416 A417 S418	I318-I352 HydrophobicContact CG2-CB 4.36Å; I318-I352 HydrophobicContact CG2-CG1 3.82Å; I318-I352 HydrophobicContact CG2-CG2 4.49Å; I318-I352 WeakPolarHBondContact O-CA 3.3Å; F323-I352 HydrophobicContact CE2-CG2 4.14Å; V350-I352 HydrophobicContact CG1-CG1 4.37Å; I352-I355 HydrophobicContact CG2-CB 4.37Å; I352-L383 HydrophobicContact CD1-CD1 3.78Å; I352-L383 HydrophobicContact CD1-CD2 3.86Å; I352-L383 HydrophobicContact CD1-CG 4.49Å; I352-V415 HydrophobicContact CD1-CG1 4.27Å; I352-L416 PolarHBondContact N-O 3.03Å; I352-A417 HydrophobicContact CB-CB 4.38Å; I352-A417 CarbonylContact O-C 3.5Å; I352-A417 WeakPolarHBondContact O-CA 3.3Å; I352-S418 PolarHBondContact O-N 3.31Å
353	D	92.9	Very high	84.6	Confident	37 Å²	37	52.3 Å²	52.3	20%	0.198	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	155.4	172.2	-150.1	-7.9	0	0	0	111	T301 I318 G320 Y351 I355 S418	T301-D353 PolarHBondContact OG1-OD2 3.27Å; I318-D353 PolarHBondContact O-N 2.94Å; G320-D353 WeakPolarHBondContact CA-O 3.48Å; G320-D353 PolarHBondContact N-O 3.44Å; Y351-D353 HydrophobicContact CE1-CB 3.85Å; D353-I355 VanDerWaalsContact C-N 3.34Å; D353-I355 PolarHBondContact O-N 3.22Å; D353-S418 PolarHBondContact OD1-OG 2.65Å
354	E	92.7	Very high	82.8	Confident	69 Å²	69	57.4 Å²	57.4	32%	0.322	27%	0.272	S	S	.	.			trans	48.6	48.1	176.6	-57.1	-175.7	144.7	0	0	114.2	N319 D356 A357 S418	N319-E354 PolarHBondContact ND2-OE2 3.14Å; N319-E354 PolarHBondContact OD1-OE2 3.31Å; E354-D356 PolarHBondContact O-N 3.3Å; E354-A357 VanDerWaalsContact O-CB 3.32Å; E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 2.84Å; E354-S418 WeakPolarHBondContact CA-O 3.29Å; E354-S418 PolarHBondContact N-O 2.85Å; E354-S418 VanDerWaalsContact N-O 3.08Å
355	I	90.3	Very high	81.1	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.3	-178.9	-167.7	166.2	0	0	0	113.1	L291 I352 D353 A357 V358 G359 L383 A417 S418 L425 F436	L291-I355 HydrophobicContact CD1-CG2 3.75Å; I352-I355 HydrophobicContact CG2-CB 4.37Å; D353-I355 VanDerWaalsContact C-N 3.34Å; D353-I355 PolarHBondContact O-N 3.22Å; I355-A357 PolarHBondContact O-N 3.4Å; I355-A357 VanDerWaalsContact O-N 3.16Å; I355-V358 HydrophobicContact CG1-CG2 4.34Å; I355-V358 WeakPolarHBondContact O-CG2 2.94Å; I355-V358 PolarHBondContact O-N 3.22Å; I355-V358 VanDerWaalsContact O-N 3.16Å; I355-G359 PolarHBondContact O-N 3.1Å; I355-L383 HydrophobicContact CD1-CD2 4.12Å; I355-A417 HydrophobicContact CB-CB 4.12Å; I355-A417 HydrophobicContact CD1-CB 3.65Å; I355-A417 HydrophobicContact CG1-CB 4.48Å; I355-A417 HydrophobicContact CG2-CB 4.12Å; I355-S418 PolarHBondContact N-O 3.01Å; I355-S418 VanDerWaalsContact N-O 3.08Å; I355-L425 HydrophobicContact CG2-CD1 4.22Å; I355-F436 HydrophobicContact CD1-CE1 4.48Å; I355-F436 HydrophobicContact CD1-CE2 3.46Å; I355-F436 VanDerWaalsContact CD1-CE2 3.46Å; I355-F436 HydrophobicContact CD1-CZ 3.42Å; I355-F436 VanDerWaalsContact CD1-CZ 3.42Å
356	D	88.9	Confident	79.3	Confident	28 Å²	28	59.9 Å²	59.9	15%	0.15	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-61.2	-17	173.2	51.6	-63	0	0	0	113.9	E354 V358 T419 V424 L425	E354-D356 PolarHBondContact O-N 3.3Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 PolarHBondContact O-N 3.48Å; D356-T419 WeakPolarHBondContact CB-OG1 3.29Å; D356-T419 WeakPolarHBondContact OD1-CB 3.43Å; D356-T419 PolarHBondContact OD1-OG1 2.69Å; D356-V424 HydrophobicContact CB-CG2 4.02Å; D356-L425 HydrophobicContact CB-CD1 4.38Å
357	A	86.4	Confident	77.6	Confident	25 Å²	25	62.5 Å²	62.5	21%	0.207	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.4	-31.9	172.7	0	0	0	0	0	113.4	T321 V324 E354 I355	T321-A357 HydrophobicContact CG2-CB 4.05Å; V324-A357 HydrophobicContact CG2-CB 4.38Å; E354-A357 VanDerWaalsContact O-CB 3.32Å; E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 2.84Å; I355-A357 PolarHBondContact O-N 3.4Å; I355-A357 VanDerWaalsContact O-N 3.16Å
358	V	85.4	Confident	75.9	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.018	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-18.3	174.9	-65.9	0	0	0	0	112.7	F323 V324 I355 D356 T379 L380	F323-V358 HydrophobicContact CB-CG1 3.7Å; V324-V358 HydrophobicContact CG2-CG1 4.06Å; I355-V358 HydrophobicContact CG1-CG2 4.34Å; I355-V358 WeakPolarHBondContact O-CG2 2.94Å; I355-V358 PolarHBondContact O-N 3.22Å; I355-V358 VanDerWaalsContact O-N 3.16Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 PolarHBondContact O-N 3.48Å; V358-T379 HydrophobicContact CG1-CG2 4.37Å; V358-L380 HydrophobicContact CG2-CD1 4.33Å; V358-L380 WeakPolarHBondContact O-CB 2.94Å
359	G	80.9	Confident	74	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.378	C	S	.	.			trans	-93.4	13.5	-172.7	0	0	0	0	0	115.8	I355 L425 D426	I355-G359 PolarHBondContact O-N 3.1Å; G359-L425 CarbonylContact O-C 3.48Å; G359-L425 WeakPolarHBondContact O-CA 3.28Å; G359-D426 PolarHBondContact O-N 2.84Å
360	R	80.6	Confident	72.2	Confident	138 Å²	138	75.1 Å²	75.1	52%	0.521	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-69.9	135.4	-171.9	-165.5	172.5	-178.4	-175.5	-0.9	112.4	V424	R360-V424 CarbonylContact C-O 3.4Å; R360-V424 WeakPolarHBondContact CA-O 3.32Å; R360-V424 HydrophobicContact CG-CB 4.3Å
361	K	69.2	Low	70.4	Confident	118 Å²	118	84.9 Å²	84.9	51%	0.513	45%	0.447	S	S	.	.			trans	-65.6	143.3	176.2	-174.5	-177.9	175.7	-170.2	0	111.3	S363 V424 D426	K361-S363 PolarHBondContact O-N 2.86Å; K361-V424 WeakPolarHBondContact CB-O 3.39Å; K361-V424 PolarHBondContact N-O 2.95Å; K361-D426 HydrophobicContact CB-CB 4.45Å
362	R	65.6	Low	68.6	Low	183 Å²	183	92.4 Å²	92.4	69%	0.691	48%	0.482	S	S	*	.			trans	-59.5	95.8	161.7	-69.3	-178.1	-177.6	176.2	2.8	110.3	D364 E377	R362-D364 PolarHBondContact O-N 3.42Å; R362-E377 VanDerWaalsContact CG-OE1 3.25Å; R362-E377 WeakPolarHBondContact CG-OE1 3.35Å; R362-E377 IonicContact CZ-OE1 3.59Å; R362-E377 IonicContact CZ-OE2 3.91Å; R362-E377 IonicContact NE-OE1 3.67Å; R362-E377 PolarHBondContact NE-OE1 3.4Å; R362-E377 IonicContact NE-OE2 3.24Å; R362-E377 IonicContact NH2-OE1 2.82Å; R362-E377 IonicContact NH2-OE2 3.07Å; R362-E377 PolarHBondContact NH2-OE2 3.04Å
363	S	57.6	Low	67.3	Low	84 Å²	84	95.7 Å²	95.7	59%	0.587	51%	0.505	S	S	*	.			trans	-83.6	101.8	157.4	53.7	0	0	0	0	107.3	K361 A365	K361-S363 PolarHBondContact O-N 2.86Å; S363-A365 PolarHBondContact O-N 3.36Å
364	D	47.7	Very low	66.3	Low	157 Å²	157	96 Å²	96	84%	0.84	52%	0.517	S	S	*	.			trans	-0.1	61.9	167.2	-73.3	-41.7	0	0	0	117.8	R362 K366	R362-D364 PolarHBondContact O-N 3.42Å; D364-K366 VanDerWaalsContact C-N 3.27Å; D364-K366 PolarHBondContact O-N 2.97Å
365	A	51.1	Low	65.6	Low	79 Å²	79	93.7 Å²	93.7	65%	0.653	51%	0.506	S	S	*	.			trans	-81.2	81.8	174.2	0	0	0	0	0	107.8	S363 N367	S363-A365 PolarHBondContact O-N 3.36Å; A365-N367 PolarHBondContact O-N 3.42Å
366	K	46.1	Very low	65.2	Low	192 Å²	192	96.1 Å²	96.1	84%	0.835	52%	0.517	S	S	*	.			trans	-63	17.1	158.5	-76.9	-176.2	176.4	176.9	0	113.1	D364 V368	D364-K366 VanDerWaalsContact C-N 3.27Å; D364-K366 PolarHBondContact O-N 2.97Å; K366-V368 PolarHBondContact O-N 3.29Å
367	N	47.6	Very low	64.7	Low	128 Å²	128	97.1 Å²	97.1	68%	0.684	52%	0.521	S	S	*	.			trans	-92.9	96.4	168.6	-66.7	-17.6	0	0	0	107.6	A365 T369	A365-N367 PolarHBondContact O-N 3.42Å; N367-T369 PolarHBondContact O-N 3.39Å
368	V	51.2	Low	64.5	Low	147 Å²	147	101 Å²	101	89%	0.891	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	14.1	-177.8	-179.4	0	0	0	0	113.2	K366	K366-V368 PolarHBondContact O-N 3.29Å
369	T	49.7	Very low	64.6	Low	133 Å²	133	100.9 Å²	100.9	82%	0.816	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	3.3	-175.8	51.9	0	0	0	0	114.7	N367 F371	N367-T369 PolarHBondContact O-N 3.39Å; T369-F371 PolarHBondContact O-N 3.24Å
370	G	52.2	Low	64.8	Low	52 Å²	52	101.2 Å²	101.2	54%	0.536	54%	0.536	S	S	.	.			trans	-89.3	88.8	-177.9	0	0	0	0	0	114.4	Q372	G370-Q372 PolarHBondContact O-N 2.9Å
371	F	54.4	Low	65	Low	205 Å²	205	98.8 Å²	98.8	90%	0.899	53%	0.533	S	S	*	.	S	Bend	trans	-70.4	-8.2	171.7	-149.7	-98.9	0	0	0	113.3	T369	T369-F371 PolarHBondContact O-N 3.24Å
372	Q	57.7	Low	65.9	Low	163 Å²	163	95.3 Å²	95.3	76%	0.762	52%	0.519	S	S	*	.	S	Bend	trans	-87	-38.5	-172.3	-70.2	-179.6	-39.1	0	0	114.4	G370 G374 E375	G370-Q372 PolarHBondContact O-N 2.9Å; Q372-G374 VanDerWaalsContact C-N 3.25Å; Q372-G374 PolarHBondContact O-N 3.49Å; Q372-E375 PolarHBondContact O-N 3.47Å
373	S	64	Low	66.9	Low	69 Å²	69	86.7 Å²	86.7	48%	0.483	49%	0.486	S	S	.	.	H	α-helix	trans	-68.8	-22.1	-171.1	73.1	0	0	0	0	114.2	E375 E377	S373-E375 VanDerWaalsContact C-N 3.31Å; S373-E375 PolarHBondContact O-N 3.29Å; S373-E377 PolarHBondContact O-N 3.05Å
374	G	72.8	Confident	68.2	Low	43 Å²	43	82.8 Å²	82.8	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-70.3	-25.7	-179.4	0	0	0	0	0	114	Q372 Q378	Q372-G374 VanDerWaalsContact C-N 3.25Å; Q372-G374 PolarHBondContact O-N 3.49Å; G374-Q378 WeakPolarHBondContact O-CB 3.41Å; G374-Q378 PolarHBondContact O-N 3.26Å; G374-Q378 VanDerWaalsContact O-N 3.14Å
375	E	79.1	Confident	70	Confident	21 Å²	21	78.6 Å²	78.6	10%	0.098	44%	0.439	C	S	.	.	H	α-helix	trans	-77.7	-44.9	-177.4	-163.8	-103.3	154.5	0	0	111.4	E325 Q372 S373 E377 Q378 T379	E325-E375 PolarHBondContact N-OE2 3.49Å; E325-E375 VanDerWaalsContact O-CD 3.25Å; E325-E375 VanDerWaalsContact O-OE2 3.06Å; Q372-E375 PolarHBondContact O-N 3.47Å; S373-E375 VanDerWaalsContact C-N 3.31Å; S373-E375 PolarHBondContact O-N 3.29Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.2Å; E375-Q378 PolarHBondContact O-N 3.16Å; E375-T379 PolarHBondContact O-N 3Å; E375-T379 PolarHBondContact O-OG1 3.33Å
376	E	80.4	Confident	71.6	Confident	51 Å²	51	75 Å²	75	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-55.1	-48.7	173	-64.7	171.1	-168.3	0	0	110.7	Q378 T379 L380	E376-Q378 PolarHBondContact O-N 3.06Å; E376-T379 PolarHBondContact O-N 3.39Å; E376-L380 WeakPolarHBondContact O-CB 3.16Å; E376-L380 PolarHBondContact O-N 3.36Å
377	E	78.7	Confident	73.3	Confident	48 Å²	48	65.9 Å²	65.9	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-40.7	177.2	-73.3	-174.9	-172.3	0	0	112.6	R362 S373 E375 T379 L380 N381	R362-E377 VanDerWaalsContact CG-OE1 3.25Å; R362-E377 WeakPolarHBondContact CG-OE1 3.35Å; R362-E377 IonicContact CZ-OE1 3.59Å; R362-E377 IonicContact CZ-OE2 3.91Å; R362-E377 IonicContact NE-OE1 3.67Å; R362-E377 PolarHBondContact NE-OE1 3.4Å; R362-E377 IonicContact NE-OE2 3.24Å; R362-E377 IonicContact NH2-OE1 2.82Å; R362-E377 IonicContact NH2-OE2 3.07Å; R362-E377 PolarHBondContact NH2-OE2 3.04Å; S373-E377 PolarHBondContact O-N 3.05Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.2Å; E377-T379 VanDerWaalsContact C-N 3.33Å; E377-L380 PolarHBondContact O-N 3.43Å; E377-N381 WeakPolarHBondContact O-CB 3.48Å; E377-N381 VanDerWaalsContact O-CG 3.24Å; E377-N381 PolarHBondContact O-N 3.34Å; E377-N381 PolarHBondContact O-ND2 3.4Å
378	Q	83.2	Confident	74.8	Confident	106 Å²	106	62.5 Å²	62.5	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-42.6	177.7	-177.2	179.6	-6.2	0	0	110.8	G374 E375 E376 N381 Q382	G374-Q378 WeakPolarHBondContact O-CB 3.41Å; G374-Q378 PolarHBondContact O-N 3.26Å; G374-Q378 VanDerWaalsContact O-N 3.14Å; E375-Q378 PolarHBondContact O-N 3.16Å; E376-Q378 PolarHBondContact O-N 3.06Å; Q378-N381 PolarHBondContact O-N 3.48Å; Q378-Q382 PolarHBondContact O-N 3.11Å
379	T	86.2	Confident	75.5	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-39.7	179.2	-60.7	0	0	0	0	111.7	F323 A332 V335 V358 E375 E376 E377 Q382 L383	F323-T379 HydrophobicContact CB-CG2 3.84Å; F323-T379 HydrophobicContact CG-CG2 4.33Å; A332-T379 PolarHBondContact N-OG1 3.04Å; V335-T379 HydrophobicContact CG2-CG2 3.85Å; V358-T379 HydrophobicContact CG1-CG2 4.37Å; E375-T379 PolarHBondContact O-N 3Å; E375-T379 PolarHBondContact O-OG1 3.33Å; E376-T379 PolarHBondContact O-N 3.39Å; E377-T379 VanDerWaalsContact C-N 3.33Å; T379-Q382 PolarHBondContact O-N 3.24Å; T379-L383 PolarHBondContact O-N 3.31Å
380	L	85.6	Confident	75.6	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-47.9	171.6	-176.3	67.6	0	0	0	111.6	V358 E376 E377 Q382 L383 L384 L430	V358-L380 HydrophobicContact CG2-CD1 4.33Å; V358-L380 WeakPolarHBondContact O-CB 2.94Å; E376-L380 WeakPolarHBondContact O-CB 3.16Å; E376-L380 PolarHBondContact O-N 3.36Å; E377-L380 PolarHBondContact O-N 3.43Å; L380-Q382 VanDerWaalsContact C-N 3.29Å; L380-Q382 PolarHBondContact O-N 2.63Å; L380-L383 WeakPolarHBondContact O-CB 2.94Å; L380-L383 PolarHBondContact O-N 3.03Å; L380-L383 VanDerWaalsContact O-N 3.14Å; L380-L384 HydrophobicContact CG-CD1 4.16Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.49Å; L380-L384 PolarHBondContact O-N 3.35Å; L380-L430 HydrophobicContact CD1-CD1 4.49Å; L380-L430 HydrophobicContact CD1-CD2 3.71Å; L380-L430 HydrophobicContact CD1-CG 4.42Å
381	N	85.4	Confident	75.2	Confident	86 Å²	86	58.2 Å²	58.2	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-38	178	-75.8	-46.5	0	0	0	111.7	E377 Q378 L384 V385	E377-N381 WeakPolarHBondContact O-CB 3.48Å; E377-N381 VanDerWaalsContact O-CG 3.24Å; E377-N381 PolarHBondContact O-N 3.34Å; E377-N381 PolarHBondContact O-ND2 3.4Å; Q378-N381 PolarHBondContact O-N 3.48Å; N381-L384 PolarHBondContact O-N 3.13Å; N381-V385 VanDerWaalsContact O-CG2 3.3Å; N381-V385 WeakPolarHBondContact O-CG2 3.4Å; N381-V385 PolarHBondContact O-N 2.74Å
382	Q	86.9	Confident	74.2	Confident	45 Å²	45	56.2 Å²	56.2	21%	0.21	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-42.5	173.6	-174	64.4	40.3	0	0	111.6	A332 V335 R336 Q378 T379 L380 L384 V385 E386	A332-Q382 HydrophobicContact CB-CB 3.93Å; A332-Q382 HydrophobicContact CB-CG 3.98Å; V335-Q382 HydrophobicContact CB-CG 4.25Å; V335-Q382 HydrophobicContact CG1-CG 4.07Å; R336-Q382 HydrophobicContact CG-CG 4.29Å; Q378-Q382 PolarHBondContact O-N 3.11Å; T379-Q382 PolarHBondContact O-N 3.24Å; L380-Q382 VanDerWaalsContact C-N 3.29Å; L380-Q382 PolarHBondContact O-N 2.63Å; Q382-L384 VanDerWaalsContact C-N 3.3Å; Q382-L384 PolarHBondContact O-N 2.66Å; Q382-V385 PolarHBondContact O-N 2.89Å; Q382-E386 PolarHBondContact NE2-OE1 2.73Å; Q382-E386 VanDerWaalsContact NE2-OE1 3.08Å; Q382-E386 WeakPolarHBondContact O-CG 3.41Å; Q382-E386 PolarHBondContact O-N 2.92Å
383	L	88	Confident	73.1	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-44.4	175.2	176.1	61.9	0	0	0	111.2	V335 F339 I352 I355 T379 L380 V385 E386 M387	V335-L383 HydrophobicContact CG1-CB 4.1Å; V335-L383 HydrophobicContact CG1-CD1 4.21Å; F339-L383 HydrophobicContact CE2-CD1 3.52Å; F339-L383 HydrophobicContact CZ-CD1 3.94Å; I352-L383 HydrophobicContact CD1-CD1 3.78Å; I352-L383 HydrophobicContact CD1-CD2 3.86Å; I352-L383 HydrophobicContact CD1-CG 4.49Å; I355-L383 HydrophobicContact CD1-CD2 4.12Å; T379-L383 PolarHBondContact O-N 3.31Å; L380-L383 WeakPolarHBondContact O-CB 2.94Å; L380-L383 PolarHBondContact O-N 3.03Å; L380-L383 VanDerWaalsContact O-N 3.14Å; L383-V385 PolarHBondContact O-N 2.94Å; L383-E386 PolarHBondContact O-N 2.81Å; L383-M387 HydrophobicContact CD1-CG 4.5Å; L383-M387 HydrophobicContact CD1-SD 4.41Å; L383-M387 HydrophobicContact CG-SD 4.3Å; L383-M387 VanDerWaalsContact O-CG 3.31Å; L383-M387 WeakPolarHBondContact O-CG 3.43Å; L383-M387 PolarHBondContact O-N 3.21Å
384	L	84.7	Confident	71.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-38.6	178.1	-65.2	169.9	0	0	0	112.4	L380 N381 Q382 M387 D388 A429 L430 R435	L380-L384 HydrophobicContact CG-CD1 4.16Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.49Å; L380-L384 PolarHBondContact O-N 3.35Å; N381-L384 PolarHBondContact O-N 3.13Å; Q382-L384 VanDerWaalsContact C-N 3.3Å; Q382-L384 PolarHBondContact O-N 2.66Å; L384-M387 PolarHBondContact O-N 3.19Å; L384-D388 WeakPolarHBondContact O-CB 3.11Å; L384-D388 VanDerWaalsContact O-CG 3.25Å; L384-D388 PolarHBondContact O-N 3.49Å; L384-A429 HydrophobicContact CD1-CB 4.28Å; L384-L430 HydrophobicContact CD1-CD2 4.34Å; L384-L430 HydrophobicContact CD2-CD2 3.51Å; L384-L430 HydrophobicContact CG-CD2 4.26Å; L384-R435 HydrophobicContact CD2-CB 4.27Å; L384-R435 HydrophobicContact CD2-CG 4.04Å
385	V	84.9	Confident	70	Confident	70 Å²	70	59.7 Å²	59.7	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-42.5	176	169.3	0	0	0	0	111.7	N381 Q382 L383 M387 D388 G389	N381-V385 VanDerWaalsContact O-CG2 3.3Å; N381-V385 WeakPolarHBondContact O-CG2 3.4Å; N381-V385 PolarHBondContact O-N 2.74Å; Q382-V385 PolarHBondContact O-N 2.89Å; L383-V385 PolarHBondContact O-N 2.94Å; V385-M387 VanDerWaalsContact C-N 3.34Å; V385-D388 PolarHBondContact O-N 3.02Å; V385-G389 PolarHBondContact O-N 2.94Å
386	E	85.6	Confident	68.2	Low	3 Å²	3	69.4 Å²	69.4	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-35.5	176.3	-69.9	-58.1	150.1	0	0	112.6	V335 R336 F339 K343 Q382 L383 G389	V335-E386 HydrophobicContact CG1-CG 4.03Å; R336-E386 WeakPolarHBondContact CG-OE1 3.32Å; F339-E386 HydrophobicContact CB-CB 4.19Å; F339-E386 HydrophobicContact CB-CG 4.21Å; F339-E386 HydrophobicContact CD1-CB 3.81Å; F339-E386 HydrophobicContact CD2-CB 3.61Å; F339-E386 HydrophobicContact CD2-CG 3.99Å; F339-E386 HydrophobicContact CE1-CB 4.02Å; F339-E386 HydrophobicContact CE2-CB 3.86Å; F339-E386 HydrophobicContact CG-CB 3.58Å; F339-E386 HydrophobicContact CG-CG 4.05Å; F339-E386 HydrophobicContact CZ-CB 4.05Å; K343-E386 IonicContact NZ-OE2 2.85Å; K343-E386 PolarHBondContact NZ-OE2 3Å; K343-E386 VanDerWaalsContact NZ-OE2 3.08Å; Q382-E386 PolarHBondContact NE2-OE1 2.73Å; Q382-E386 VanDerWaalsContact NE2-OE1 3.08Å; Q382-E386 WeakPolarHBondContact O-CG 3.41Å; Q382-E386 PolarHBondContact O-N 2.92Å; L383-E386 PolarHBondContact O-N 2.81Å; E386-G389 PolarHBondContact O-N 3.16Å
387	M	81.8	Confident	65.9	Low	1 Å²	1	73.7 Å²	73.7	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-68.4	-43.6	175.7	-73.5	-179.4	70.3	0	0	112.5	F339 L383 L384 V385 G389 V415 R435 F436	F339-M387 HydrophobicContact CE1-CG 4.21Å; F339-M387 HydrophobicContact CZ-CG 3.74Å; L383-M387 HydrophobicContact CD1-CG 4.5Å; L383-M387 HydrophobicContact CD1-SD 4.41Å; L383-M387 HydrophobicContact CG-SD 4.3Å; L383-M387 VanDerWaalsContact O-CG 3.31Å; L383-M387 WeakPolarHBondContact O-CG 3.43Å; L383-M387 PolarHBondContact O-N 3.21Å; L384-M387 PolarHBondContact O-N 3.19Å; V385-M387 VanDerWaalsContact C-N 3.34Å; M387-G389 PolarHBondContact O-N 3.18Å; M387-G389 VanDerWaalsContact O-N 3.13Å; M387-V415 HydrophobicContact CE-CB 4.04Å; M387-V415 HydrophobicContact CE-CG1 4.27Å; M387-V415 HydrophobicContact CE-CG2 4.41Å; M387-V415 HydrophobicContact CG-CG2 4.24Å; M387-V415 HydrophobicContact SD-CG1 4.3Å; M387-R435 VanDerWaalsContact CE-C 3.46Å; M387-R435 HydrophobicContact CE-CB 4.33Å; M387-R435 WeakPolarHBondContact CE-O 3.42Å; M387-F436 HydrophobicContact CE-CD1 4.13Å; M387-F436 HydrophobicContact CE-CD2 4.27Å; M387-F436 HydrophobicContact CE-CE1 3.91Å; M387-F436 HydrophobicContact CE-CE2 4.08Å; M387-F436 HydrophobicContact CE-CG 4.3Å; M387-F436 HydrophobicContact CE-CZ 3.89Å; M387-F436 HydrophobicContact SD-CE1 4.43Å; M387-F436 HydrophobicContact SD-CE2 3.91Å; M387-F436 HydrophobicContact SD-CZ 3.83Å
388	D	77.5	Confident	64.1	Low	57 Å²	57	76.2 Å²	76.2	31%	0.305	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-20.7	178.2	-72.9	-17.7	0	0	0	111.2	L384 V385 N390 R435	L384-D388 WeakPolarHBondContact O-CB 3.11Å; L384-D388 VanDerWaalsContact O-CG 3.25Å; L384-D388 PolarHBondContact O-N 3.49Å; V385-D388 PolarHBondContact O-N 3.02Å; D388-N390 PolarHBondContact O-N 3.1Å; D388-R435 VanDerWaalsContact OD1-CG 3.23Å; D388-R435 WeakPolarHBondContact OD1-CG 3.32Å; D388-R435 IonicContact OD1-NE 3.25Å; D388-R435 PolarHBondContact OD1-NE 2.85Å; D388-R435 IonicContact OD2-CZ 2.76Å; D388-R435 IonicContact OD2-NE 3.16Å; D388-R435 PolarHBondContact OD2-NE 2.9Å; D388-R435 IonicContact OD2-NH2 3.05Å; D388-R435 PolarHBondContact OD2-NH2 3.41Å
389	G	65.9	Low	62	Low	11 Å²	11	78 Å²	78	11%	0.113	41%	0.411	C	S	.	.			trans	69.5	1.7	170.7	0	0	0	0	0	114.8	V385 E386 M387 E391 T409	V385-G389 PolarHBondContact O-N 2.94Å; E386-G389 PolarHBondContact O-N 3.16Å; M387-G389 PolarHBondContact O-N 3.18Å; M387-G389 VanDerWaalsContact O-N 3.13Å; G389-E391 PolarHBondContact O-N 3.24Å; G389-T409 PolarHBondContact O-OG1 3.08Å
390	N	51.9	Low	59.5	Low	138 Å²	138	82.9 Å²	82.9	74%	0.738	44%	0.441	S	S	*	.			trans	-73.4	44.4	172.3	-67.8	-20.6	0	0	0	111.3	D388 L392	D388-N390 PolarHBondContact O-N 3.1Å; N390-L392 PolarHBondContact O-N 2.83Å; N390-L392 VanDerWaalsContact O-N 3.11Å
391	E	45.3	Very low	57.2	Low	92 Å²	92	85.4 Å²	85.4	43%	0.43	45%	0.454	S	S	.	.			trans	-70.1	106.5	158.4	-80.4	-170.8	137.3	0	0	106.8	K343 G389 L393	K343-E391 IonicContact NZ-OE2 3.4Å; K343-E391 PolarHBondContact NZ-OE2 2.86Å; G389-E391 PolarHBondContact O-N 3.24Å; E391-L393 PolarHBondContact O-N 2.82Å
392	L	32.6	Very low	54.8	Low	163 Å²	163	91.1 Å²	91.1	85%	0.853	48%	0.476	S	S	*	.			trans	-44.3	110.6	153.5	-109.1	87.2	0	0	0	106.3	N390 D394	N390-L392 PolarHBondContact O-N 2.83Å; N390-L392 VanDerWaalsContact O-N 3.11Å; L392-D394 PolarHBondContact O-N 3.42Å
393	L	33.9	Very low	52.2	Low	100 Å²	100	96.4 Å²	96.4	52%	0.524	50%	0.503	S	S	.	.			trans	-41.7	120.4	168.2	-84.4	136.6	0	0	0	108.4	E391 V395 L401	E391-L393 PolarHBondContact O-N 2.82Å; L393-V395 WeakPolarHBondContact O-CG2 2.93Å; L393-V395 PolarHBondContact O-N 3.2Å; L393-L401 HydrophobicContact CD1-CD2 4.07Å
394	D	36.8	Very low	49.6	Very low	155 Å²	155	98 Å²	98	83%	0.829	52%	0.515	S	S	*	.			trans	-50.8	108.4	167.6	-111.4	-22.4	0	0	0	107.1	L392 R396	L392-D394 PolarHBondContact O-N 3.42Å; D394-R396 PolarHBondContact O-N 3.46Å
395	V	34.9	Very low	47.4	Very low	94 Å²	94	102.8 Å²	102.8	57%	0.57	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	73.6	-173.5	-175.2	0	0	0	0	109	L393	L393-V395 WeakPolarHBondContact O-CG2 2.93Å; L393-V395 PolarHBondContact O-N 3.2Å
396	R	41	Very low	45.3	Very low	224 Å²	224	102.9 Å²	102.9	85%	0.845	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	-9	169.4	-75.4	-169.6	173.2	177.2	-0.1	114.9	D394	D394-R396 PolarHBondContact O-N 3.46Å
397	N	34.2	Very low	43.2	Very low	142 Å²	142	107.7 Å²	107.7	76%	0.759	60%	0.595	S	S	*	*			trans	-121.2	79.1	170	-72.2	-4	0	0	0	110.4	V399	N397-V399 PolarHBondContact O-N 3.24Å; N397-V399 VanDerWaalsContact O-N 3.1Å
398	T	39.8	Very low	41.8	Very low	101 Å²	101	111.1 Å²	111.1	62%	0.62	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-0.7	-171.8	-52.8	0	0	0	0	115.3
399	V	38.9	Very low	40.7	Very low	142 Å²	142	111.1 Å²	111.1	86%	0.861	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-11.9	-173.6	-173.1	0	0	0	0	113.9	N397	N397-V399 PolarHBondContact O-N 3.24Å; N397-V399 VanDerWaalsContact O-N 3.1Å
400	T	34.6	Very low	40.3	Very low	104 Å²	104	110.8 Å²	110.8	64%	0.638	61%	0.611	S	S	*	*	S	Bend	trans	-119.8	42.7	178	-38.1	0	0	0	0	111.8
401	L	36.2	Very low	40.9	Very low	61 Å²	61	106.3 Å²	106.3	32%	0.319	59%	0.593	S	S	.	*			trans	-101.7	-16.2	-180	-98.4	162.8	0	0	0	114.6	L393	L393-L401 HydrophobicContact CD1-CD2 4.07Å
402	F	34.6	Very low	42.4	Very low	207 Å²	207	102.5 Å²	102.5	91%	0.908	58%	0.579	S	S	*	*	S	Bend	trans	-83.5	-16.8	-178.3	-88.8	-81.6	0	0	0	115.1
403	I	33.2	Very low	45	Very low	155 Å²	155	94.9 Å²	94.9	80%	0.795	54%	0.539	S	S	*	.	S	Bend	trans	-104.8	-16	-178.8	-54.9	179.9	0	0	0	112
404	S	34.1	Very low	47.6	Very low	37 Å²	37	90.2 Å²	90.2	26%	0.259	51%	0.514	S	S	.	.			trans	-101.2	1.6	-173.5	-56.2	0	0	0	0	115.5	G406 I407	S404-G406 PolarHBondContact O-N 2.95Å; S404-I407 PolarHBondContact O-N 3.17Å
405	A	38.7	Very low	50.3	Low	101 Å²	101	83 Å²	83	84%	0.835	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	6.7	-178	0	0	0	0	0	115.5
406	G	39.4	Very low	53	Low	73 Å²	73	78.6 Å²	78.6	75%	0.753	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	12.3	171	0	0	0	0	0	114.1	S404	S404-G406 PolarHBondContact O-N 2.95Å
407	I	42.4	Very low	55.5	Low	103 Å²	103	67.9 Å²	67.9	53%	0.528	41%	0.409	S	S	.	.			trans	-86.2	115.3	177.9	-58.9	177.1	0	0	0	107.9	S404 T409	S404-I407 PolarHBondContact O-N 3.17Å; I407-T409 PolarHBondContact O-N 2.92Å
408	D	52.8	Low	58.4	Low	74 Å²	74	61.1 Å²	61.1	40%	0.396	37%	0.372	S	S	.	.			trans	-55.5	99.1	171.4	-78.3	-21.9	0	0	0	110	R288 N410 A411	R288-D408 IonicContact CZ-OD2 3.66Å; R288-D408 IonicContact NH2-OD1 2.71Å; R288-D408 PolarHBondContact NH2-OD1 3.44Å; R288-D408 IonicContact NH2-OD2 3.51Å; R288-D408 PolarHBondContact NH2-OD2 3.18Å; D408-N410 PolarHBondContact O-N 3.18Å; D408-A411 HydrophobicContact CB-CB 4Å; D408-A411 VanDerWaalsContact O-CB 3.3Å; D408-A411 WeakPolarHBondContact O-CB 3.43Å; D408-A411 PolarHBondContact O-N 3.28Å
409	T	53	Low	60.8	Low	57 Å²	57	56.4 Å²	56.4	35%	0.35	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13	179.4	57.2	0	0	0	0	112.7	K346 G389 I407	K346-T409 PolarHBondContact NZ-O 3.15Å; G389-T409 PolarHBondContact O-OG1 3.08Å; I407-T409 PolarHBondContact O-N 2.92Å
410	N	57.8	Low	63.3	Low	4 Å²	4	52.3 Å²	52.3	2%	0.021	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	11.5	175.8	-141.3	15.2	0	0	0	113.7	R288 D408 G412 V413	R288-N410 VanDerWaalsContact NH1-C 3.3Å; R288-N410 PolarHBondContact NH1-O 2.93Å; R288-N410 VanDerWaalsContact NH1-O 3.11Å; D408-N410 PolarHBondContact O-N 3.18Å; N410-G412 PolarHBondContact O-N 2.96Å; N410-V413 PolarHBondContact O-N 3.23Å; N410-V413 WeakPolarHBondContact OD1-CB 3.43Å; N410-V413 WeakPolarHBondContact OD1-CG2 3.47Å
411	A	65	Low	65.8	Low	43 Å²	43	52.5 Å²	52.5	36%	0.355	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	126	172.5	0	0	0	0	0	110.2	K346 D408	K346-A411 WeakPolarHBondContact CD-O 3.46Å; K346-A411 VanDerWaalsContact CE-O 3.25Å; K346-A411 WeakPolarHBondContact CE-O 3.04Å; K346-A411 PolarHBondContact NZ-O 2.86Å; D408-A411 HydrophobicContact CB-CB 4Å; D408-A411 VanDerWaalsContact O-CB 3.3Å; D408-A411 WeakPolarHBondContact O-CB 3.43Å; D408-A411 PolarHBondContact O-N 3.28Å
412	G	76.7	Confident	68.2	Low	13 Å²	13	51.7 Å²	51.7	13%	0.134	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-0.2	179.9	0	0	0	0	0	117.2	P347 C348 N410	P347-G412 CarbonylContact C-O 3.55Å; P347-G412 VanDerWaalsContact CA-O 3.29Å; P347-G412 WeakPolarHBondContact CA-O 3.35Å; C348-G412 PolarHBondContact N-O 2.87Å; N410-G412 PolarHBondContact O-N 2.96Å
413	V	87	Confident	70.5	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.8	169.8	-177.9	0	0	0	0	109.1	A342 K346 V350 N410	A342-V413 HydrophobicContact CB-CG1 4.09Å; A342-V413 HydrophobicContact CB-CG2 4.32Å; K346-V413 HydrophobicContact CD-CG2 4.21Å; K346-V413 HydrophobicContact CG-CG2 3.65Å; V350-V413 HydrophobicContact CG2-CG1 4Å; N410-V413 PolarHBondContact O-N 3.23Å; N410-V413 WeakPolarHBondContact OD1-CB 3.43Å; N410-V413 WeakPolarHBondContact OD1-CG2 3.47Å
414	I	89.3	Confident	72.9	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	174.9	-64.1	168.5	0	0	0	108.4	F269 Y272 L273 C348 I349 V350 L416	F269-I414 HydrophobicContact CB-CD1 4.1Å; F269-I414 HydrophobicContact CD1-CD1 3.92Å; F269-I414 HydrophobicContact CD1-CG1 4.41Å; F269-I414 HydrophobicContact CD1-CG2 3.75Å; F269-I414 HydrophobicContact CE1-CG2 4.1Å; F269-I414 HydrophobicContact CG-CD1 4.48Å; F269-I414 HydrophobicContact CG-CG2 4.37Å; Y272-I414 HydrophobicContact CD1-CD1 4.19Å; L273-I414 HydrophobicContact CD1-CD1 3.76Å; L273-I414 HydrophobicContact CD2-CD1 3.65Å; L273-I414 HydrophobicContact CD2-CG1 4.38Å; L273-I414 HydrophobicContact CG-CD1 3.51Å; C348-I414 PolarHBondContact O-N 2.82Å; I349-I414 WeakPolarHBondContact CA-O 3.36Å; I349-I414 HydrophobicContact CG1-CB 4.43Å; V350-I414 PolarHBondContact N-O 2.98Å; I414-L416 HydrophobicContact CG2-CD2 4.14Å; I414-L416 HydrophobicContact CG2-CG 4.42Å
415	V	91.8	Very high	75.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.2	179.1	-174.2	0	0	0	0	109.8	R288 G289 A290 F339 V350 I352 M387 F436	R288-V415 PolarHBondContact O-N 3.4Å; G289-V415 CarbonylContact C-O 3.58Å; G289-V415 WeakPolarHBondContact CA-O 3.42Å; A290-V415 PolarHBondContact N-O 3.38Å; F339-V415 HydrophobicContact CE1-CG2 4.05Å; F339-V415 HydrophobicContact CZ-CG2 3.93Å; V350-V415 HydrophobicContact CB-CG2 4.45Å; V350-V415 CarbonylContact O-C 3.57Å; V350-V415 WeakPolarHBondContact O-CA 3.41Å; I352-V415 HydrophobicContact CD1-CG1 4.27Å; M387-V415 HydrophobicContact CE-CB 4.04Å; M387-V415 HydrophobicContact CE-CG1 4.27Å; M387-V415 HydrophobicContact CE-CG2 4.41Å; M387-V415 HydrophobicContact CG-CG2 4.24Å; M387-V415 HydrophobicContact SD-CG1 4.3Å; V415-F436 HydrophobicContact CG1-CE1 4.05Å; V415-F436 HydrophobicContact CG1-CZ 4.24Å
416	L	93.1	Very high	76.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.6	171	-59.8	-178.8	0	0	0	108.6	A290 A304 I349 V350 Y351 I352 I414	A290-L416 HydrophobicContact CB-CD2 3.66Å; A290-L416 CarbonylContact O-C 3.41Å; A290-L416 WeakPolarHBondContact O-CA 3.23Å; A304-L416 HydrophobicContact CB-CD1 4.13Å; I349-L416 HydrophobicContact CG2-CD1 3.77Å; I349-L416 HydrophobicContact CG2-CG 3.98Å; V350-L416 PolarHBondContact O-N 3.32Å; Y351-L416 CarbonylContact C-O 3.56Å; Y351-L416 VanDerWaalsContact CA-O 3.22Å; Y351-L416 WeakPolarHBondContact CA-O 3.21Å; Y351-L416 HydrophobicContact CD2-CB 3.95Å; I352-L416 PolarHBondContact N-O 3.03Å; I414-L416 HydrophobicContact CG2-CD2 4.14Å; I414-L416 HydrophobicContact CG2-CG 4.42Å
417	A	93.6	Very high	78.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.8	172.2	0	0	0	0	0	110.3	A290 L291 L292 I352 I355 F436	A290-A417 PolarHBondContact O-N 3.26Å; L291-A417 CarbonylContact C-O 3.42Å; L291-A417 WeakPolarHBondContact CA-O 3.42Å; L291-A417 HydrophobicContact CD1-CB 3.77Å; L292-A417 PolarHBondContact N-O 3.4Å; I352-A417 HydrophobicContact CB-CB 4.38Å; I352-A417 CarbonylContact O-C 3.5Å; I352-A417 WeakPolarHBondContact O-CA 3.3Å; I355-A417 HydrophobicContact CB-CB 4.12Å; I355-A417 HydrophobicContact CD1-CB 3.65Å; I355-A417 HydrophobicContact CG1-CB 4.48Å; I355-A417 HydrophobicContact CG2-CB 4.12Å; A417-F436 HydrophobicContact CB-CD1 4.29Å; A417-F436 HydrophobicContact CB-CE1 3.42Å; A417-F436 VanDerWaalsContact CB-CE1 3.42Å; A417-F436 HydrophobicContact CB-CZ 3.61Å
418	S	93.5	Very high	79.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.1	171.1	44.3	0	0	0	0	112.3	L292 Y351 I352 D353 E354 I355	L292-S418 WeakPolarHBondContact O-CA 3.16Å; Y351-S418 VanDerWaalsContact CZ-OG 3.28Å; Y351-S418 PolarHBondContact OH-OG 3.28Å; I352-S418 PolarHBondContact O-N 3.31Å; D353-S418 PolarHBondContact OD1-OG 2.65Å; E354-S418 WeakPolarHBondContact CA-O 3.29Å; E354-S418 PolarHBondContact N-O 2.85Å; E354-S418 VanDerWaalsContact N-O 3.08Å; I355-S418 PolarHBondContact N-O 3.01Å; I355-S418 VanDerWaalsContact N-O 3.08Å
419	T	91.5	Very high	79.9	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.9	168.7	-179.6	0	0	0	0	110.9	L291 L292 L293 D356 R421	L291-T419 HydrophobicContact CD1-CG2 4.29Å; L292-T419 PolarHBondContact O-N 2.74Å; L292-T419 VanDerWaalsContact O-N 3.13Å; L293-T419 HydrophobicContact CD2-CG2 3.34Å; D356-T419 WeakPolarHBondContact CB-OG1 3.29Å; D356-T419 WeakPolarHBondContact OD1-CB 3.43Å; D356-T419 PolarHBondContact OD1-OG1 2.69Å; T419-R421 VanDerWaalsContact C-N 3.33Å; T419-R421 PolarHBondContact OG1-N 2.9Å
420	N	91.4	Very high	80.8	Confident	57 Å²	57	31 Å²	31	31%	0.305	18%	0.179	S	C	.	.	S	Bend	trans	-86	-10.2	170.1	-63.5	-46.1	0	0	0	112	G294 P296 K300	G294-N420 WeakPolarHBondContact O-CA 3.42Å; P296-N420 WeakPolarHBondContact CA-OD1 3.46Å; K300-N420 WeakPolarHBondContact CE-OD1 3.13Å; K300-N420 PolarHBondContact NZ-OD1 2.94Å
421	R	87.5	Confident	81.3	Confident	108 Å²	108	34.2 Å²	34.2	41%	0.408	20%	0.196	S	C	.	.			trans	-130.1	73.4	-169.8	-61.1	-174.6	67.3	-177.5	5.5	111.4	T419 D423 V424	T419-R421 VanDerWaalsContact C-N 3.33Å; T419-R421 PolarHBondContact OG1-N 2.9Å; R421-D423 VanDerWaalsContact C-OD1 3.23Å; R421-D423 VanDerWaalsContact CA-OD1 3.27Å; R421-D423 WeakPolarHBondContact CA-OD1 3.48Å; R421-D423 WeakPolarHBondContact CB-OD1 3.48Å; R421-D423 PolarHBondContact O-N 2.85Å; R421-V424 HydrophobicContact CB-CG2 3.71Å; R421-V424 WeakPolarHBondContact O-CG2 3.27Å; R421-V424 PolarHBondContact O-N 3.06Å
422	P	85.7	Confident	81.8	Confident	44 Å²	44	40.6 Å²	40.6	29%	0.286	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.7	177.1	26.3	-34.1	0	0	0	113.8	L293 K427	L293-P422 HydrophobicContact CD1-CB 4.48Å; L293-P422 HydrophobicContact CD2-CB 4.08Å; P422-K427 WeakPolarHBondContact O-CE 3.48Å
423	D	83.9	Confident	81.5	Confident	82 Å²	82	51.2 Å²	51.2	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-41	-179.5	59.2	-55.6	0	0	0	113	R421	R421-D423 VanDerWaalsContact C-OD1 3.23Å; R421-D423 VanDerWaalsContact CA-OD1 3.27Å; R421-D423 WeakPolarHBondContact CA-OD1 3.48Å; R421-D423 WeakPolarHBondContact CB-OD1 3.48Å; R421-D423 PolarHBondContact O-N 2.85Å
424	V	83.3	Confident	80.7	Confident	18 Å²	18	52.5 Å²	52.5	11%	0.109	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.2	-178.1	-59.6	0	0	0	0	113.7	D356 R360 K361 R421	D356-V424 HydrophobicContact CB-CG2 4.02Å; R360-V424 CarbonylContact C-O 3.4Å; R360-V424 WeakPolarHBondContact CA-O 3.32Å; R360-V424 HydrophobicContact CG-CB 4.3Å; K361-V424 WeakPolarHBondContact CB-O 3.39Å; K361-V424 PolarHBondContact N-O 2.95Å; R421-V424 HydrophobicContact CB-CG2 3.71Å; R421-V424 WeakPolarHBondContact O-CG2 3.27Å; R421-V424 PolarHBondContact O-N 3.06Å
425	L	80	Confident	80.4	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-71.8	140.5	-173.9	-163	74.6	0	0	0	111.6	L291 I355 D356 G359 K427 L430	L291-L425 HydrophobicContact CD2-CD2 3.53Å; I355-L425 HydrophobicContact CG2-CD1 4.22Å; D356-L425 HydrophobicContact CB-CD1 4.38Å; G359-L425 CarbonylContact O-C 3.48Å; G359-L425 WeakPolarHBondContact O-CA 3.28Å; L425-K427 VanDerWaalsContact C-N 3.26Å; L425-K427 PolarHBondContact O-N 3.48Å; L425-L430 HydrophobicContact CD1-CD1 3.52Å; L425-L430 HydrophobicContact CD2-CD1 3.69Å; L425-L430 HydrophobicContact CG-CD1 3.58Å
426	D	75	Confident	80.1	Confident	46 Å²	46	54.2 Å²	54.2	25%	0.246	27%	0.267	C	S	.	.			trans	-71.5	84.8	169.1	-169.7	-5.7	0	0	0	110.9	G359 K361 A428 A429 L430	G359-D426 PolarHBondContact O-N 2.84Å; K361-D426 HydrophobicContact CB-CB 4.45Å; D426-A428 PolarHBondContact O-N 2.93Å; D426-A428 WeakPolarHBondContact OD1-CB 3.27Å; D426-A428 PolarHBondContact OD1-N 3.11Å; D426-A429 HydrophobicContact CB-CB 4.31Å; D426-A429 PolarHBondContact O-N 3.3Å; D426-A429 PolarHBondContact OD1-N 3.47Å; D426-A429 WeakPolarHBondContact OD2-CB 3.03Å; D426-L430 PolarHBondContact O-N 3.21Å; D426-L430 VanDerWaalsContact O-N 3.15Å
427	K	72.1	Confident	79.6	Confident	113 Å²	113	56.1 Å²	56.1	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-56.1	-32.7	175.1	-72.3	-174.3	-173	-179.3	0	112.3	P422 L425 L431	P422-K427 WeakPolarHBondContact O-CE 3.48Å; L425-K427 VanDerWaalsContact C-N 3.26Å; L425-K427 PolarHBondContact O-N 3.48Å; K427-L431 HydrophobicContact CB-CD1 3.46Å; K427-L431 VanDerWaalsContact CB-CD1 3.46Å; K427-L431 HydrophobicContact CB-CG 4.06Å; K427-L431 HydrophobicContact CD-CD1 4.3Å; K427-L431 HydrophobicContact CG-CD1 3.86Å; K427-L431 HydrophobicContact CG-CG 4.47Å; K427-L431 WeakPolarHBondContact O-CB 3.42Å; K427-L431 VanDerWaalsContact O-CD1 3.27Å; K427-L431 WeakPolarHBondContact O-CD1 3.33Å; K427-L431 WeakPolarHBondContact O-CG 3.29Å; K427-L431 PolarHBondContact O-N 3.31Å
428	A	64.1	Low	79.3	Confident	87 Å²	87	60.2 Å²	60.2	72%	0.719	29%	0.292	S	S	*	.	H	α-helix	trans	-72	-37.9	-177.1	0	0	0	0	0	112	D426	D426-A428 PolarHBondContact O-N 2.93Å; D426-A428 WeakPolarHBondContact OD1-CB 3.27Å; D426-A428 PolarHBondContact OD1-N 3.11Å
429	A	62.2	Low	79.1	Confident	21 Å²	21	63.4 Å²	63.4	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-79.7	-40	-178.1	0	0	0	0	0	113.2	L384 D426 R435	L384-A429 HydrophobicContact CD1-CB 4.28Å; D426-A429 HydrophobicContact CB-CB 4.31Å; D426-A429 PolarHBondContact O-N 3.3Å; D426-A429 PolarHBondContact OD1-N 3.47Å; D426-A429 WeakPolarHBondContact OD2-CB 3.03Å; A429-R435 PolarHBondContact O-NH1 2.89Å
430	L	71.5	Confident	79.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-86.3	-34.3	-173.3	-68.7	178	0	0	0	113.8	L380 L384 L425 D426 R432 F436	L380-L430 HydrophobicContact CD1-CD1 4.49Å; L380-L430 HydrophobicContact CD1-CD2 3.71Å; L380-L430 HydrophobicContact CD1-CG 4.42Å; L384-L430 HydrophobicContact CD1-CD2 4.34Å; L384-L430 HydrophobicContact CD2-CD2 3.51Å; L384-L430 HydrophobicContact CG-CD2 4.26Å; L425-L430 HydrophobicContact CD1-CD1 3.52Å; L425-L430 HydrophobicContact CD2-CD1 3.69Å; L425-L430 HydrophobicContact CG-CD1 3.58Å; D426-L430 PolarHBondContact O-N 3.21Å; D426-L430 VanDerWaalsContact O-N 3.15Å; L430-R432 PolarHBondContact O-N 3.41Å; L430-F436 HydrophobicContact CB-CD2 4.16Å; L430-F436 HydrophobicContact CD2-CD2 3.84Å; L430-F436 HydrophobicContact CD2-CE2 3.79Å; L430-F436 HydrophobicContact CG-CD2 4.45Å; L430-F436 PolarHBondContact O-N 3.2Å
431	L	70	Confident	79.1	Confident	72 Å²	72	66 Å²	66	38%	0.377	32%	0.32	S	S	.	.	S	Bend	trans	-81.4	9.2	-173.6	-51	175.4	0	0	0	114	K427 H439	K427-L431 HydrophobicContact CB-CD1 3.46Å; K427-L431 VanDerWaalsContact CB-CD1 3.46Å; K427-L431 HydrophobicContact CB-CG 4.06Å; K427-L431 HydrophobicContact CD-CD1 4.3Å; K427-L431 HydrophobicContact CG-CD1 3.86Å; K427-L431 HydrophobicContact CG-CG 4.47Å; K427-L431 WeakPolarHBondContact O-CB 3.42Å; K427-L431 VanDerWaalsContact O-CD1 3.27Å; K427-L431 WeakPolarHBondContact O-CD1 3.33Å; K427-L431 WeakPolarHBondContact O-CG 3.29Å; K427-L431 PolarHBondContact O-N 3.31Å; L431-H439 VanDerWaalsContact CD2-CD2 3.48Å; L431-H439 WeakPolarHBondContact CD2-CD2 3.16Å; L431-H439 WeakPolarHBondContact CD2-CE1 3.39Å; L431-H439 WeakPolarHBondContact CD2-NE2 3.34Å
432	R	75.7	Confident	79.3	Confident	177 Å²	177	60.9 Å²	60.9	67%	0.668	30%	0.301	S	S	*	.	S	Bend	trans	-78.7	137.7	-179.3	-171.9	175.9	-173.8	168.8	2.3	110.4	L430 G434 R435	L430-R432 PolarHBondContact O-N 3.41Å; R432-G434 PolarHBondContact O-N 2.93Å; R432-R435 WeakPolarHBondContact O-CB 3.31Å; R432-R435 PolarHBondContact O-N 3.4Å
433	R	69.7	Low	79.5	Confident	236 Å²	236	62.5 Å²	62.5	89%	0.891	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	132.8	175.5	-68	-173.6	-176.3	177.4	0.8	112	D437	R433-D437 VanDerWaalsContact C-OD1 3.27Å; R433-D437 WeakPolarHBondContact CA-OD1 3.37Å
434	G	70.7	Confident	79.8	Confident	28 Å²	28	61.6 Å²	61.6	29%	0.289	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	-9.7	-173.7	0	0	0	0	0	114.9	R288 R432 D437	R288-G434 WeakPolarHBondContact CB-O 3.39Å; R432-G434 PolarHBondContact O-N 2.93Å; G434-D437 WeakPolarHBondContact CA-OD2 3.35Å; G434-D437 PolarHBondContact N-OD1 3.2Å; G434-D437 PolarHBondContact N-OD2 2.87Å
435	R	82.8	Confident	80.2	Confident	41 Å²	41	61.2 Å²	61.2	16%	0.155	30%	0.3	C	S	.	.	S	Bend	trans	-117.6	-111	-171.8	-63.1	163.3	176.8	-163.4	-5.6	110.3	G289 L384 M387 D388 A429 R432 D437	G289-R435 WeakPolarHBondContact CA-O 3.12Å; G289-R435 PolarHBondContact N-O 3.14Å; L384-R435 HydrophobicContact CD2-CB 4.27Å; L384-R435 HydrophobicContact CD2-CG 4.04Å; M387-R435 VanDerWaalsContact CE-C 3.46Å; M387-R435 HydrophobicContact CE-CB 4.33Å; M387-R435 WeakPolarHBondContact CE-O 3.42Å; D388-R435 VanDerWaalsContact OD1-CG 3.23Å; D388-R435 WeakPolarHBondContact OD1-CG 3.32Å; D388-R435 IonicContact OD1-NE 3.25Å; D388-R435 PolarHBondContact OD1-NE 2.85Å; D388-R435 IonicContact OD2-CZ 2.76Å; D388-R435 IonicContact OD2-NE 3.16Å; D388-R435 PolarHBondContact OD2-NE 2.9Å; D388-R435 IonicContact OD2-NH2 3.05Å; D388-R435 PolarHBondContact OD2-NH2 3.41Å; A429-R435 PolarHBondContact O-NH1 2.89Å; R432-R435 WeakPolarHBondContact O-CB 3.31Å; R432-R435 PolarHBondContact O-N 3.4Å; R435-D437 PolarHBondContact N-OD1 3.21Å; R435-D437 PolarHBondContact O-N 2.7Å
436	F	85.4	Confident	80.6	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	86.3	166.6	-63.9	-70.4	0	0	0	107.9	L291 I355 M387 V415 A417 L430 H439	L291-F436 HydrophobicContact CB-CB 4.17Å; L291-F436 HydrophobicContact CB-CD1 4.21Å; L291-F436 HydrophobicContact CB-CG 4.29Å; I355-F436 HydrophobicContact CD1-CE1 4.48Å; I355-F436 HydrophobicContact CD1-CE2 3.46Å; I355-F436 VanDerWaalsContact CD1-CE2 3.46Å; I355-F436 HydrophobicContact CD1-CZ 3.42Å; I355-F436 VanDerWaalsContact CD1-CZ 3.42Å; M387-F436 HydrophobicContact CE-CD1 4.13Å; M387-F436 HydrophobicContact CE-CD2 4.27Å; M387-F436 HydrophobicContact CE-CE1 3.91Å; M387-F436 HydrophobicContact CE-CE2 4.08Å; M387-F436 HydrophobicContact CE-CG 4.3Å; M387-F436 HydrophobicContact CE-CZ 3.89Å; M387-F436 HydrophobicContact SD-CE1 4.43Å; M387-F436 HydrophobicContact SD-CE2 3.91Å; M387-F436 HydrophobicContact SD-CZ 3.83Å; V415-F436 HydrophobicContact CG1-CE1 4.05Å; V415-F436 HydrophobicContact CG1-CZ 4.24Å; A417-F436 HydrophobicContact CB-CD1 4.29Å; A417-F436 HydrophobicContact CB-CE1 3.42Å; A417-F436 VanDerWaalsContact CB-CE1 3.42Å; A417-F436 HydrophobicContact CB-CZ 3.61Å; L430-F436 HydrophobicContact CB-CD2 4.16Å; L430-F436 HydrophobicContact CD2-CD2 3.84Å; L430-F436 HydrophobicContact CD2-CE2 3.79Å; L430-F436 HydrophobicContact CG-CD2 4.45Å; L430-F436 PolarHBondContact O-N 3.2Å; F436-H439 PolarHBondContact O-CE1 3.43Å; F436-H439 PolarHBondContact O-NE2 2.9Å
437	D	81.3	Confident	81.1	Confident	43 Å²	43	63.8 Å²	63.8	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-21.4	-174.7	-59.8	-22.8	0	0	0	111.9	P287 G289 R433 G434 R435	P287-D437 HydrophobicContact CB-CB 3.95Å; P287-D437 HydrophobicContact CG-CB 4.32Å; G289-D437 PolarHBondContact O-N 3.43Å; R433-D437 VanDerWaalsContact C-OD1 3.27Å; R433-D437 WeakPolarHBondContact CA-OD1 3.37Å; G434-D437 WeakPolarHBondContact CA-OD2 3.35Å; G434-D437 PolarHBondContact N-OD1 3.2Å; G434-D437 PolarHBondContact N-OD2 2.87Å; R435-D437 PolarHBondContact N-OD1 3.21Å; R435-D437 PolarHBondContact O-N 2.7Å
438	R	87.7	Confident	81.9	Confident	86 Å²	86	61.2 Å²	61.2	33%	0.325	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.8	176.1	-71.4	-70.8	-171.5	-98.6	3	110.1	E268 F269 P287 G289 A290 L291	E268-R438 IonicContact OE2-CZ 3.14Å; E268-R438 IonicContact OE2-NE 2.7Å; E268-R438 PolarHBondContact OE2-NE 2.86Å; E268-R438 IonicContact OE2-NH2 2.67Å; E268-R438 PolarHBondContact OE2-NH2 3.04Å; F269-R438 HydrophobicContact CE2-CB 4.36Å; F269-R438 HydrophobicContact CE2-CG 4.28Å; F269-R438 HydrophobicContact CZ-CB 3.98Å; F269-R438 HydrophobicContact CZ-CG 3.77Å; P287-R438 HydrophobicContact CB-CG 3.68Å; P287-R438 HydrophobicContact CG-CG 3.57Å; P287-R438 VanDerWaalsContact CG-CZ 3.45Å; G289-R438 PolarHBondContact O-N 3.44Å; A290-R438 CarbonylContact C-O 3.47Å; A290-R438 VanDerWaalsContact CA-O 3.28Å; A290-R438 WeakPolarHBondContact CA-O 3.37Å; A290-R438 HydrophobicContact CB-CB 3.81Å; L291-R438 PolarHBondContact N-O 3.46Å
439	H	88.9	Confident	83.2	Confident	67 Å²	67	58.2 Å²	58.2	31%	0.31	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.1	176.6	-56.2	100.8	0	0	0	107.1	L291 L293 L431 F436	L291-H439 WeakPolarHBondContact O-CA 3.48Å; L293-H439 HydrophobicContact CD1-CB 4.37Å; L431-H439 VanDerWaalsContact CD2-CD2 3.48Å; L431-H439 WeakPolarHBondContact CD2-CD2 3.16Å; L431-H439 WeakPolarHBondContact CD2-CE1 3.39Å; L431-H439 WeakPolarHBondContact CD2-NE2 3.34Å; F436-H439 PolarHBondContact O-CE1 3.43Å; F436-H439 PolarHBondContact O-NE2 2.9Å
440	I	91.5	Very high	84.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.7	-176.8	-60.5	156.8	0	0	0	106.4	A262 E265 V266 F269 A290 L291 L292 L293 I442	A262-I440 HydrophobicContact CB-CG2 3.68Å; E265-I440 HydrophobicContact CB-CD1 4.23Å; E265-I440 HydrophobicContact CB-CG1 3.9Å; E265-I440 HydrophobicContact CB-CG2 4.49Å; E265-I440 VanDerWaalsContact OE2-CG1 3.29Å; E265-I440 WeakPolarHBondContact OE2-CG1 3.37Å; V266-I440 HydrophobicContact CG2-CD1 3.56Å; F269-I440 HydrophobicContact CE2-CD1 4.31Å; A290-I440 HydrophobicContact CB-CD1 4Å; L291-I440 PolarHBondContact O-N 3.41Å; L292-I440 HydrophobicContact CD2-CB 3.87Å; L292-I440 HydrophobicContact CD2-CD1 3.87Å; L292-I440 HydrophobicContact CD2-CG1 4.48Å; L292-I440 HydrophobicContact CD2-CG2 4.23Å; L293-I440 PolarHBondContact N-O 2.95Å; I440-I442 HydrophobicContact CG2-CG1 4.27Å
441	L	91.3	Very high	85.6	Confident	112 Å²	112	61.4 Å²	61.4	59%	0.586	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.2	175.7	-175.6	67.7	0	0	0	109	L293	L293-L441 HydrophobicContact CB-CD1 4.16Å
442	I	91.9	Very high	86.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	29%	0.292	C	S	.	.			trans	-107.8	90.5	173.6	-66.5	169.6	0	0	0	106.3	L259 A262 L292 L293 G294 P295 C298 K300 I303 I440	L259-I442 HydrophobicContact CD1-CG2 4.34Å; L259-I442 HydrophobicContact CD2-CG2 3.74Å; A262-I442 HydrophobicContact CB-CG1 3.94Å; L292-I442 HydrophobicContact CB-CD1 4.21Å; L292-I442 HydrophobicContact CD1-CD1 4.4Å; L292-I442 HydrophobicContact CD2-CD1 4.03Å; L292-I442 HydrophobicContact CG-CD1 4.44Å; L293-I442 PolarHBondContact O-N 2.8Å; G294-I442 VanDerWaalsContact CA-O 3.29Å; G294-I442 WeakPolarHBondContact CA-O 3.29Å; P295-I442 WeakPolarHBondContact CD-O 3.47Å; C298-I442 HydrophobicContact CB-CG2 3.65Å; C298-I442 WeakPolarHBondContact O-CG2 3.45Å; K300-I442 HydrophobicContact CB-CD1 4.5Å; K300-I442 HydrophobicContact CG-CB 4.33Å; K300-I442 HydrophobicContact CG-CD1 3.97Å; K300-I442 HydrophobicContact CG-CG2 4.33Å; I303-I442 HydrophobicContact CG2-CD1 3.75Å; I440-I442 HydrophobicContact CG2-CG1 4.27Å
443	D	89.9	Confident	87.5	Confident	77 Å²	77	54.4 Å²	54.4	41%	0.412	26%	0.264	S	S	.	.			trans	-81.8	-177.1	-178.8	-149.1	-13.4	0	0	0	112	C298	C298-D443 PolarHBondContact SG-O 2.77Å; C298-D443 VanDerWaalsContact SG-O 3.41Å
444	L	90.8	Very high	88.7	Confident	63 Å²	63	43.2 Å²	43.2	33%	0.33	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.3	143.9	168.9	-71.1	160.8	0	0	0	110.8	P295 G479	P295-L444 HydrophobicContact CG-CD2 4.17Å; P295-L444 HydrophobicContact CG-CG 3.8Å; L444-G479 WeakPolarHBondContact CD2-O 3.43Å
445	P	91.2	Very high	89.7	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.065	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.8	139.3	-178.7	27.8	-34.8	0	0	0	112.4	E449 R450 I453 Y480	P445-E449 VanDerWaalsContact CA-OE2 3.22Å; P445-E449 WeakPolarHBondContact CA-OE2 3.14Å; P445-E449 HydrophobicContact CB-CB 3.9Å; P445-R450 HydrophobicContact CB-CG 3.97Å; P445-R450 HydrophobicContact CG-CG 3.77Å; P445-R450 PolarHBondContact O-NH1 3.19Å; P445-I453 HydrophobicContact CB-CD1 3.86Å; P445-I453 HydrophobicContact CG-CD1 4.12Å; P445-Y480 VanDerWaalsContact CD-O 3.31Å; P445-Y480 WeakPolarHBondContact CD-O 3.45Å; P445-Y480 WeakPolarHBondContact CG-O 3.27Å
446	N	88.9	Confident	90.2	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-68.9	169.9	174.3	-69.8	-7.9	0	0	0	111.4	S448 E449 R450	N446-S448 PolarHBondContact O-N 3.33Å; N446-E449 HydrophobicContact CB-CG 4.36Å; N446-E449 PolarHBondContact N-OE2 3.44Å; N446-E449 PolarHBondContact O-N 3.34Å; N446-E449 VanDerWaalsContact O-N 3.16Å; N446-R450 WeakPolarHBondContact O-CG 3.38Å; N446-R450 PolarHBondContact O-N 3.3Å
447	M	86.1	Confident	90.5	Very high	19 Å²	19	50.5 Å²	50.5	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-46.9	-179.5	-174.5	-176.5	-177.8	0	0	112.7	E449 R450 K451 A474 D475 T728 N729	M447-E449 PolarHBondContact O-N 2.9Å; M447-R450 PolarHBondContact O-N 3Å; M447-K451 PolarHBondContact O-N 3.06Å; M447-A474 HydrophobicContact CG-CB 4.46Å; M447-D475 HydrophobicContact CE-CB 3.9Å; M447-T728 HydrophobicContact CE-CG2 4.1Å; M447-N729 HydrophobicContact SD-CB 4.03Å
448	S	88.8	Confident	91	Very high	59 Å²	59	49.2 Å²	49.2	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-43.9	175.7	-172	0	0	0	0	112.3	N446 R450 K451 E452 E731	N446-S448 PolarHBondContact O-N 3.33Å; S448-R450 PolarHBondContact O-N 3.36Å; S448-K451 VanDerWaalsContact O-CB 3.31Å; S448-K451 WeakPolarHBondContact O-CB 3.22Å; S448-K451 PolarHBondContact O-N 3.25Å; S448-E452 PolarHBondContact O-N 2.71Å; S448-E452 VanDerWaalsContact O-N 3.15Å; S448-E731 PolarHBondContact N-OE1 3.08Å
449	E	91	Very high	91.2	Very high	24 Å²	24	51.8 Å²	51.8	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-41.1	178.3	-60.1	-174.7	132.1	0	0	112	L259 P445 N446 M447 K451 E452 I453	L259-E449 PolarHBondContact N-OE1 3.23Å; P445-E449 VanDerWaalsContact CA-OE2 3.22Å; P445-E449 WeakPolarHBondContact CA-OE2 3.14Å; P445-E449 HydrophobicContact CB-CB 3.9Å; N446-E449 HydrophobicContact CB-CG 4.36Å; N446-E449 PolarHBondContact N-OE2 3.44Å; N446-E449 PolarHBondContact O-N 3.34Å; N446-E449 VanDerWaalsContact O-N 3.16Å; M447-E449 PolarHBondContact O-N 2.9Å; E449-K451 VanDerWaalsContact C-N 3.28Å; E449-K451 PolarHBondContact O-N 3.24Å; E449-E452 PolarHBondContact O-N 3.15Å; E449-E452 VanDerWaalsContact O-N 3.15Å; E449-I453 WeakPolarHBondContact O-CG1 3.39Å; E449-I453 PolarHBondContact O-N 3.05Å
450	R	92.5	Very high	91.2	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.011	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-41.6	173.9	-72	-161.3	-62.1	-94.6	3.8	111.3	P445 N446 M447 S448 E452 I453 F454 A474 T477 I485 E579	P445-R450 HydrophobicContact CB-CG 3.97Å; P445-R450 HydrophobicContact CG-CG 3.77Å; P445-R450 PolarHBondContact O-NH1 3.19Å; N446-R450 WeakPolarHBondContact O-CG 3.38Å; N446-R450 PolarHBondContact O-N 3.3Å; M447-R450 PolarHBondContact O-N 3Å; S448-R450 PolarHBondContact O-N 3.36Å; R450-E452 VanDerWaalsContact C-N 3.32Å; R450-E452 PolarHBondContact O-N 2.97Å; R450-I453 PolarHBondContact O-N 3.24Å; R450-F454 VanDerWaalsContact O-CD2 3.24Å; R450-F454 WeakPolarHBondContact O-CD2 3.32Å; R450-F454 PolarHBondContact O-N 3.23Å; R450-A474 HydrophobicContact CB-CB 3.92Å; R450-A474 PolarHBondContact NE-O 3.46Å; R450-A474 VanDerWaalsContact NE-O 3.13Å; R450-A474 PolarHBondContact NH2-O 3.01Å; R450-T477 WeakPolarHBondContact CD-O 3.47Å; R450-T477 PolarHBondContact NE-O 3.45Å; R450-T477 VanDerWaalsContact NE-O 3.08Å; R450-I485 HydrophobicContact CB-CD1 3.94Å; R450-I485 HydrophobicContact CG-CD1 3.74Å; R450-E579 IonicContact CZ-OE1 2.78Å; R450-E579 IonicContact NH1-OE1 3.15Å; R450-E579 PolarHBondContact NH1-OE1 3.46Å; R450-E579 IonicContact NH2-OE1 2.8Å; R450-E579 PolarHBondContact NH2-OE1 2.96Å
451	K	92	Very high	91.2	Very high	86 Å²	86	56.3 Å²	56.3	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-46.5	175.4	-179.4	-175.1	178.1	176.2	0	111	M447 S448 E449 F454 K455 S470 A471 A474	M447-K451 PolarHBondContact O-N 3.06Å; S448-K451 VanDerWaalsContact O-CB 3.31Å; S448-K451 WeakPolarHBondContact O-CB 3.22Å; S448-K451 PolarHBondContact O-N 3.25Å; E449-K451 VanDerWaalsContact C-N 3.28Å; E449-K451 PolarHBondContact O-N 3.24Å; K451-F454 PolarHBondContact O-N 3.46Å; K451-K455 WeakPolarHBondContact O-CB 3.43Å; K451-K455 PolarHBondContact O-N 3.11Å; K451-S470 WeakPolarHBondContact CE-OG 3.21Å; K451-S470 VanDerWaalsContact CG-OG 3.28Å; K451-S470 WeakPolarHBondContact CG-OG 3.29Å; K451-A471 HydrophobicContact CD-CB 4.1Å; K451-A474 HydrophobicContact CB-CB 4.05Å
452	E	92	Very high	91.3	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-41.8	176.8	-61.8	-172.7	161.7	0	0	112.3	V257 S448 E449 R450 K455 Y456	V257-E452 HydrophobicContact CG1-CB 3.26Å; V257-E452 HydrophobicContact CG1-CG 4.45Å; S448-E452 PolarHBondContact O-N 2.71Å; S448-E452 VanDerWaalsContact O-N 3.15Å; E449-E452 PolarHBondContact O-N 3.15Å; E449-E452 VanDerWaalsContact O-N 3.15Å; R450-E452 VanDerWaalsContact C-N 3.32Å; R450-E452 PolarHBondContact O-N 2.97Å; E452-K455 WeakPolarHBondContact O-CB 3.29Å; E452-K455 PolarHBondContact O-N 3.34Å; E452-Y456 PolarHBondContact O-N 3.37Å
453	I	93.6	Very high	91.2	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-44	178.9	-66	164.3	0	0	0	110.5	V257 P445 E449 R450 Y456 Y457 I485	V257-I453 HydrophobicContact CB-CG1 4.13Å; V257-I453 HydrophobicContact CG1-CG1 3.97Å; P445-I453 HydrophobicContact CB-CD1 3.86Å; P445-I453 HydrophobicContact CG-CD1 4.12Å; E449-I453 WeakPolarHBondContact O-CG1 3.39Å; E449-I453 PolarHBondContact O-N 3.05Å; R450-I453 PolarHBondContact O-N 3.24Å; I453-Y456 PolarHBondContact O-N 3.44Å; I453-Y457 HydrophobicContact CG2-CD2 3.62Å; I453-Y457 HydrophobicContact CG2-CE2 3.54Å; I453-Y457 VanDerWaalsContact O-CD2 3.29Å; I453-Y457 WeakPolarHBondContact O-CD2 3.5Å; I453-Y457 PolarHBondContact O-N 3.41Å; I453-I485 HydrophobicContact CB-CD1 4.18Å; I453-I485 HydrophobicContact CD1-CD1 4.48Å; I453-I485 HydrophobicContact CG2-CB 4.01Å; I453-I485 HydrophobicContact CG2-CD1 3.96Å; I453-I485 HydrophobicContact CG2-CG2 3.74Å
454	F	94.2	Very high	91.1	Very high	1 Å²	1	59 Å²	59	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-48.6	172.7	-90.1	-69.9	0	0	0	111.1	R450 K451 Y456 Y457 L458 L473 T477 I485 V488	R450-F454 VanDerWaalsContact O-CD2 3.24Å; R450-F454 WeakPolarHBondContact O-CD2 3.32Å; R450-F454 PolarHBondContact O-N 3.23Å; K451-F454 PolarHBondContact O-N 3.46Å; F454-Y456 VanDerWaalsContact C-N 3.26Å; F454-Y456 PolarHBondContact O-N 2.64Å; F454-Y457 PolarHBondContact O-N 2.75Å; F454-L458 VanDerWaalsContact O-CB 3.26Å; F454-L458 WeakPolarHBondContact O-CB 3.49Å; F454-L458 WeakPolarHBondContact O-CG 3.48Å; F454-L458 PolarHBondContact O-N 3.08Å; F454-L473 HydrophobicContact CD1-CB 4.01Å; F454-L473 HydrophobicContact CD1-CD1 3.74Å; F454-L473 HydrophobicContact CD2-CB 3.98Å; F454-L473 HydrophobicContact CE1-CB 3.94Å; F454-L473 HydrophobicContact CE1-CD1 4.01Å; F454-L473 HydrophobicContact CE2-CB 3.95Å; F454-L473 HydrophobicContact CG-CB 4.03Å; F454-L473 HydrophobicContact CG-CD1 4.3Å; F454-L473 HydrophobicContact CZ-CB 3.93Å; F454-T477 HydrophobicContact CE2-CG2 4.24Å; F454-T477 WeakPolarHBondContact CE2-OG1 3.41Å; F454-T477 HydrophobicContact CZ-CG2 3.92Å; F454-I485 HydrophobicContact CD1-CG2 3.63Å; F454-I485 HydrophobicContact CD2-CD1 4.25Å; F454-I485 HydrophobicContact CD2-CG1 4.44Å; F454-I485 HydrophobicContact CD2-CG2 3.9Å; F454-I485 HydrophobicContact CE1-CG2 3.61Å; F454-I485 HydrophobicContact CE2-CB 4.43Å; F454-I485 HydrophobicContact CE2-CD1 3.95Å; F454-I485 HydrophobicContact CE2-CG1 3.81Å; F454-I485 HydrophobicContact CE2-CG2 3.84Å; F454-I485 HydrophobicContact CG-CG2 3.77Å; F454-I485 HydrophobicContact CZ-CB 4.28Å; F454-I485 HydrophobicContact CZ-CG1 3.95Å; F454-I485 HydrophobicContact CZ-CG2 3.7Å; F454-V488 HydrophobicContact CE1-CG1 4.32Å
455	K	92.7	Very high	90.8	Very high	125 Å²	125	65.4 Å²	65.4	54%	0.543	31%	0.314	S	S	.	.	H	α-helix	trans	-56	-42.7	178	-174.3	177.8	179.5	-179.3	0	111.6	K451 E452 Q459	K451-K455 WeakPolarHBondContact O-CB 3.43Å; K451-K455 PolarHBondContact O-N 3.11Å; E452-K455 WeakPolarHBondContact O-CB 3.29Å; E452-K455 PolarHBondContact O-N 3.34Å; K455-Q459 WeakPolarHBondContact O-CG 3.29Å; K455-Q459 PolarHBondContact O-N 2.75Å
456	Y	92.1	Very high	90.2	Very high	53 Å²	53	70.9 Å²	70.9	21%	0.208	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178.1	177.3	-100.7	0	0	0	113.4	V257 E452 I453 F454 K460	V257-Y456 HydrophobicContact CG2-CD1 4.31Å; V257-Y456 HydrophobicContact CG2-CD2 3.96Å; V257-Y456 HydrophobicContact CG2-CG 3.78Å; E452-Y456 PolarHBondContact O-N 3.37Å; I453-Y456 PolarHBondContact O-N 3.44Å; F454-Y456 VanDerWaalsContact C-N 3.26Å; F454-Y456 PolarHBondContact O-N 2.64Å; Y456-K460 HydrophobicContact CE1-CD 4.4Å; Y456-K460 VanDerWaalsContact OH-CE 3.31Å; Y456-K460 WeakPolarHBondContact OH-CE 3.33Å; Y456-K460 PolarHBondContact OH-NZ 3.25Å
457	Y	92.3	Very high	89.9	Confident	44 Å²	44	68.7 Å²	68.7	17%	0.173	33%	0.33	C	S	.	.	H	α-helix	trans	-75.5	-34.3	179.4	-75.2	-64.1	0	0	0	113.1	I453 F454 Q459 K460 I485 M486	I453-Y457 HydrophobicContact CG2-CD2 3.62Å; I453-Y457 HydrophobicContact CG2-CE2 3.54Å; I453-Y457 VanDerWaalsContact O-CD2 3.29Å; I453-Y457 WeakPolarHBondContact O-CD2 3.5Å; I453-Y457 PolarHBondContact O-N 3.41Å; F454-Y457 PolarHBondContact O-N 2.75Å; Y457-Q459 VanDerWaalsContact C-N 3.27Å; Y457-Q459 PolarHBondContact O-N 3.35Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 WeakPolarHBondContact O-CB 3.47Å; Y457-K460 PolarHBondContact O-N 3.09Å; Y457-K460 VanDerWaalsContact O-N 3.07Å; Y457-I485 HydrophobicContact CD2-CG2 4.21Å; Y457-M486 HydrophobicContact CD1-CB 4.23Å; Y457-M486 HydrophobicContact CD1-CG 3.95Å; Y457-M486 HydrophobicContact CD2-CB 4.21Å; Y457-M486 HydrophobicContact CE1-CB 3.8Å; Y457-M486 HydrophobicContact CE1-CG 3.49Å; Y457-M486 VanDerWaalsContact CE1-CG 3.49Å; Y457-M486 HydrophobicContact CE1-SD 3.87Å; Y457-M486 HydrophobicContact CE2-CB 3.75Å; Y457-M486 HydrophobicContact CE2-CG 4.39Å; Y457-M486 HydrophobicContact CG-CB 4.44Å
458	L	92.3	Very high	89.6	Confident	17 Å²	17	69 Å²	69	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-34.8	173.7	-71.7	175.2	0	0	0	111.4	F454 K460 I461 T463 I467 L473 L509	F454-L458 VanDerWaalsContact O-CB 3.26Å; F454-L458 WeakPolarHBondContact O-CB 3.49Å; F454-L458 WeakPolarHBondContact O-CG 3.48Å; F454-L458 PolarHBondContact O-N 3.08Å; L458-K460 PolarHBondContact O-N 3.32Å; L458-I461 HydrophobicContact CD2-CD1 3.98Å; L458-I461 VanDerWaalsContact O-CG1 3.29Å; L458-I461 WeakPolarHBondContact O-CG1 3.06Å; L458-I461 PolarHBondContact O-N 3.27Å; L458-I461 VanDerWaalsContact O-O 3.05Å; L458-T463 HydrophobicContact CD2-CG2 4.44Å; L458-I467 HydrophobicContact CD1-CG2 4.37Å; L458-L473 HydrophobicContact CD1-CD1 4.09Å; L458-L509 HydrophobicContact CD2-CD1 4.14Å; L458-L509 HydrophobicContact CD2-CD2 4.03Å
459	Q	90.7	Very high	89.3	Confident	139 Å²	139	70.7 Å²	70.7	65%	0.65	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.3	174	-76.3	172.1	-4.6	0	0	114	K455 Y457	K455-Q459 WeakPolarHBondContact O-CG 3.29Å; K455-Q459 PolarHBondContact O-N 2.75Å; Y457-Q459 VanDerWaalsContact C-N 3.27Å; Y457-Q459 PolarHBondContact O-N 3.35Å
460	K	90.4	Very high	89.1	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.2	178.4	-66.4	-174.8	179.3	-178.6	0	113.4	Y456 Y457 L458	Y456-K460 HydrophobicContact CE1-CD 4.4Å; Y456-K460 VanDerWaalsContact OH-CE 3.31Å; Y456-K460 WeakPolarHBondContact OH-CE 3.33Å; Y456-K460 PolarHBondContact OH-NZ 3.25Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 WeakPolarHBondContact O-CB 3.47Å; Y457-K460 PolarHBondContact O-N 3.09Å; Y457-K460 VanDerWaalsContact O-N 3.07Å; L458-K460 PolarHBondContact O-N 3.32Å
461	I	91.9	Very high	88.7	Confident	36 Å²	36	71.2 Å²	71.2	19%	0.185	35%	0.347	C	S	.	.	S	Bend	trans	-114.7	155.7	-179.6	60.1	173.6	0	0	0	110.3	L458 T463 C489 A493 V504	L458-I461 HydrophobicContact CD2-CD1 3.98Å; L458-I461 VanDerWaalsContact O-CG1 3.29Å; L458-I461 WeakPolarHBondContact O-CG1 3.06Å; L458-I461 PolarHBondContact O-N 3.27Å; L458-I461 VanDerWaalsContact O-O 3.05Å; I461-T463 HydrophobicContact CD1-CG2 4.41Å; I461-T463 HydrophobicContact CG1-CG2 3.97Å; I461-T463 PolarHBondContact O-N 3.07Å; I461-C489 HydrophobicContact CD1-CB 4.38Å; I461-A493 HydrophobicContact CG2-CB 4.17Å; I461-V504 HydrophobicContact CD1-CG2 4.23Å
462	K	91.8	Very high	88.4	Confident	156 Å²	156	70.8 Å²	70.8	68%	0.678	34%	0.343	S	S	*	.			trans	-78.8	111.7	175.9	-68.5	-175.4	-179.6	-178.6	0	109.7	Y503 V504	K462-Y503 HydrophobicContact CB-CD1 4.16Å; K462-V504 PolarHBondContact O-N 3.18Å
463	T	90.9	Very high	88.2	Confident	61 Å²	61	67 Å²	67	37%	0.374	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-105.8	146	-175.1	48.7	0	0	0	0	112.1	L458 I461 I467	L458-T463 HydrophobicContact CD2-CG2 4.44Å; I461-T463 HydrophobicContact CD1-CG2 4.41Å; I461-T463 HydrophobicContact CG1-CG2 3.97Å; I461-T463 PolarHBondContact O-N 3.07Å; T463-I467 HydrophobicContact CG2-CD1 3.22Å
464	S	88.3	Confident	88	Confident	30 Å²	30	66.2 Å²	66.2	21%	0.21	32%	0.321	C	S	.	.			trans	-76.3	167.8	167.3	69.8	0	0	0	0	111.8	N466 V504	S464-N466 PolarHBondContact O-N 3.07Å; S464-V504 WeakPolarHBondContact CB-O 3.36Å; S464-V504 PolarHBondContact N-O 2.93Å; S464-V504 PolarHBondContact OG-O 3.09Å; S464-V504 VanDerWaalsContact OG-O 3.09Å
465	E	82.6	Confident	87.5	Confident	197 Å²	197	66.6 Å²	66.6	92%	0.921	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.6	175	-64.8	-179.5	178.1	0	0	112.6	I467	E465-I467 VanDerWaalsContact C-N 3.28Å; E465-I467 PolarHBondContact O-N 3.22Å
466	N	80.1	Confident	87	Confident	126 Å²	126	62.8 Å²	62.8	67%	0.674	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	31.8	-176.8	-68.3	-32.4	0	0	0	113.3	S464 S506	S464-N466 PolarHBondContact O-N 3.07Å; N466-S506 WeakPolarHBondContact O-CB 3.47Å
467	I	83	Confident	86.8	Confident	39 Å²	39	60.3 Å²	60.3	20%	0.2	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-83.6	136.5	179.4	-73.8	-169.7	0	0	0	111	L458 T463 E465 V504 L509	L458-I467 HydrophobicContact CD1-CG2 4.37Å; T463-I467 HydrophobicContact CG2-CD1 3.22Å; E465-I467 VanDerWaalsContact C-N 3.28Å; E465-I467 PolarHBondContact O-N 3.22Å; I467-V504 WeakPolarHBondContact CD1-O 3.48Å; I467-L509 HydrophobicContact CD1-CD1 4.06Å; I467-L509 HydrophobicContact CG1-CD1 4.28Å; I467-L509 HydrophobicContact CG2-CD1 3.81Å
468	P	77.9	Confident	86.4	Confident	25 Å²	25	58.9 Å²	58.9	16%	0.162	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-55.8	147	172	23.3	-35.3	0	0	0	111.3	S470 Y472 L473 L509	P468-S470 PolarHBondContact O-N 3.4Å; P468-Y472 HydrophobicContact CB-CD1 3.55Å; P468-Y472 HydrophobicContact CB-CE1 4.1Å; P468-Y472 HydrophobicContact CB-CG 4.08Å; P468-Y472 HydrophobicContact CG-CD1 4.29Å; P468-L473 HydrophobicContact CG-CD2 4.12Å; P468-L473 HydrophobicContact CG-CG 4.29Å; P468-L509 HydrophobicContact CG-CD1 4.3Å
469	D	83.3	Confident	86.1	Confident	96 Å²	96	60 Å²	60	51%	0.513	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-56	140.7	174.6	-174.1	2.6	0	0	0	110.2	A471 Y472 L473	D469-A471 PolarHBondContact O-N 3.38Å; D469-A471 PolarHBondContact OD1-N 3.23Å; D469-Y472 WeakPolarHBondContact O-CA 3.47Å; D469-Y472 VanDerWaalsContact O-CB 3.24Å; D469-Y472 WeakPolarHBondContact O-CB 3.47Å; D469-Y472 PolarHBondContact O-N 3.49Å; D469-L473 PolarHBondContact O-N 2.94Å
470	S	85.9	Confident	86.1	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-43.4	-35.5	166.8	56.5	0	0	0	0	113.6	K451 P468 L473 A474	K451-S470 WeakPolarHBondContact CE-OG 3.21Å; K451-S470 VanDerWaalsContact CG-OG 3.28Å; K451-S470 WeakPolarHBondContact CG-OG 3.29Å; P468-S470 PolarHBondContact O-N 3.4Å; S470-L473 PolarHBondContact O-N 3.47Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 3.35Å
471	A	84.5	Confident	86.3	Confident	24 Å²	24	48.7 Å²	48.7	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-39	175.7	0	0	0	0	0	112.7	K451 D469 A474 D475	K451-A471 HydrophobicContact CD-CB 4.1Å; D469-A471 PolarHBondContact O-N 3.38Å; D469-A471 PolarHBondContact OD1-N 3.23Å; A471-A474 PolarHBondContact O-N 3.24Å; A471-D475 PolarHBondContact O-N 2.78Å; A471-D475 VanDerWaalsContact O-N 3.11Å
472	Y	85.7	Confident	86.3	Confident	77 Å²	77	47.6 Å²	47.6	30%	0.302	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-40.2	177.1	173.5	-84.6	0	0	0	111.7	P468 D469 R476	P468-Y472 HydrophobicContact CB-CD1 3.55Å; P468-Y472 HydrophobicContact CB-CE1 4.1Å; P468-Y472 HydrophobicContact CB-CG 4.08Å; P468-Y472 HydrophobicContact CG-CD1 4.29Å; D469-Y472 WeakPolarHBondContact O-CA 3.47Å; D469-Y472 VanDerWaalsContact O-CB 3.24Å; D469-Y472 WeakPolarHBondContact O-CB 3.47Å; D469-Y472 PolarHBondContact O-N 3.49Å; Y472-R476 VanDerWaalsContact CZ-NE 3.26Å; Y472-R476 PolarHBondContact OH-NE 3.44Å; Y472-R476 VanDerWaalsContact OH-NE 3.13Å; Y472-R476 PolarHBondContact OH-NH2 3.41Å
473	L	89	Confident	86.3	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-71.1	-39.6	176.8	-64.4	174.5	0	0	0	112.1	F454 L458 P468 D469 S470 D475 R476 T477 L509	F454-L473 HydrophobicContact CD1-CB 4.01Å; F454-L473 HydrophobicContact CD1-CD1 3.74Å; F454-L473 HydrophobicContact CD2-CB 3.98Å; F454-L473 HydrophobicContact CE1-CB 3.94Å; F454-L473 HydrophobicContact CE1-CD1 4.01Å; F454-L473 HydrophobicContact CE2-CB 3.95Å; F454-L473 HydrophobicContact CG-CB 4.03Å; F454-L473 HydrophobicContact CG-CD1 4.3Å; F454-L473 HydrophobicContact CZ-CB 3.93Å; L458-L473 HydrophobicContact CD1-CD1 4.09Å; P468-L473 HydrophobicContact CG-CD2 4.12Å; P468-L473 HydrophobicContact CG-CG 4.29Å; D469-L473 PolarHBondContact O-N 2.94Å; S470-L473 PolarHBondContact O-N 3.47Å; L473-D475 VanDerWaalsContact C-N 3.3Å; L473-D475 PolarHBondContact O-N 2.98Å; L473-R476 PolarHBondContact O-N 3.17Å; L473-T477 PolarHBondContact O-N 2.82Å; L473-T477 PolarHBondContact O-OG1 3.39Å; L473-L509 HydrophobicContact CD1-CD1 4.36Å
474	A	88	Confident	86.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-34.6	178.4	0	0	0	0	0	113	M447 R450 K451 S470 A471 T477	M447-A474 HydrophobicContact CG-CB 4.46Å; R450-A474 HydrophobicContact CB-CB 3.92Å; R450-A474 PolarHBondContact NE-O 3.46Å; R450-A474 VanDerWaalsContact NE-O 3.13Å; R450-A474 PolarHBondContact NH2-O 3.01Å; K451-A474 HydrophobicContact CB-CB 4.05Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 3.35Å; A471-A474 PolarHBondContact O-N 3.24Å; A474-T477 PolarHBondContact O-N 2.7Å; A474-T477 PolarHBondContact O-OG1 2.92Å
475	D	83.5	Confident	86.8	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-35.1	175.9	-172.2	70.5	0	0	0	112.5	M447 A471 L473 T477 P478 L727	M447-D475 HydrophobicContact CE-CB 3.9Å; A471-D475 PolarHBondContact O-N 2.78Å; A471-D475 VanDerWaalsContact O-N 3.11Å; L473-D475 VanDerWaalsContact C-N 3.3Å; L473-D475 PolarHBondContact O-N 2.98Å; D475-T477 VanDerWaalsContact C-N 3.33Å; D475-T477 PolarHBondContact O-N 3.1Å; D475-P478 WeakPolarHBondContact O-CD 3.3Å; D475-L727 VanDerWaalsContact CG-O 3.27Å
476	R	83.5	Confident	87.3	Confident	46 Å²	46	35.4 Å²	35.4	17%	0.174	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.5	-179.2	-71.1	172.4	158.8	57.6	-1.8	114.5	Y472 L473 P478 L513 L556	Y472-R476 VanDerWaalsContact CZ-NE 3.26Å; Y472-R476 PolarHBondContact OH-NE 3.44Å; Y472-R476 VanDerWaalsContact OH-NE 3.13Å; Y472-R476 PolarHBondContact OH-NH2 3.41Å; L473-R476 PolarHBondContact O-N 3.17Å; R476-P478 WeakPolarHBondContact O-CD 3.39Å; R476-L513 HydrophobicContact CB-CD2 3.81Å; R476-L556 HydrophobicContact CG-CD1 3.95Å
477	T	88	Confident	88	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.			trans	-120.7	46.2	-177.3	49.9	0	0	0	0	114.6	R450 F454 L473 A474 D475 G479 Y480 L513	R450-T477 WeakPolarHBondContact CD-O 3.47Å; R450-T477 PolarHBondContact NE-O 3.45Å; R450-T477 VanDerWaalsContact NE-O 3.08Å; F454-T477 HydrophobicContact CE2-CG2 4.24Å; F454-T477 WeakPolarHBondContact CE2-OG1 3.41Å; F454-T477 HydrophobicContact CZ-CG2 3.92Å; L473-T477 PolarHBondContact O-N 2.82Å; L473-T477 PolarHBondContact O-OG1 3.39Å; A474-T477 PolarHBondContact O-N 2.7Å; A474-T477 PolarHBondContact O-OG1 2.92Å; D475-T477 VanDerWaalsContact C-N 3.33Å; D475-T477 PolarHBondContact O-N 3.1Å; T477-G479 PolarHBondContact O-N 2.97Å; T477-Y480 HydrophobicContact CG2-CD1 3.84Å; T477-Y480 HydrophobicContact CG2-CD2 4.11Å; T477-Y480 HydrophobicContact CG2-CE1 3.93Å; T477-Y480 HydrophobicContact CG2-CE2 4.17Å; T477-Y480 HydrophobicContact CG2-CG 3.96Å; T477-Y480 WeakPolarHBondContact O-CB 3.31Å; T477-Y480 WeakPolarHBondContact O-CD2 3.15Å; T477-Y480 PolarHBondContact O-N 3.4Å; T477-Y480 VanDerWaalsContact O-N 3.16Å; T477-L513 HydrophobicContact CG2-CD1 3.34Å
478	P	84.2	Confident	88.6	Confident	15 Å²	15	30.9 Å²	30.9	10%	0.097	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	131	177.4	26.5	-31.8	0	0	0	111.3	D475 R476 Y480 K577 E579	D475-P478 WeakPolarHBondContact O-CD 3.3Å; R476-P478 WeakPolarHBondContact O-CD 3.39Å; P478-Y480 VanDerWaalsContact C-N 3.3Å; P478-K577 HydrophobicContact CB-CB 4.12Å; P478-K577 HydrophobicContact CG-CB 3.39Å; P478-K577 HydrophobicContact CG-CD 3.8Å; P478-K577 HydrophobicContact CG-CG 3.56Å; P478-E579 HydrophobicContact CB-CG 4.25Å
479	G	85.4	Confident	89.4	Confident	40 Å²	40	29.8 Å²	29.8	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	13	-177.3	0	0	0	0	0	114.9	L444 T477	L444-G479 WeakPolarHBondContact CD2-O 3.43Å; T477-G479 PolarHBondContact O-N 2.97Å
480	Y	91.1	Very high	90	Very high	24 Å²	24	29.1 Å²	29.1	9%	0.094	17%	0.167	C	C	.	.			trans	-77.6	135.7	172.6	-83.2	-126.2	0	0	0	110.4	P445 T477 P478 D484 V488 T516	P445-Y480 VanDerWaalsContact CD-O 3.31Å; P445-Y480 WeakPolarHBondContact CD-O 3.45Å; P445-Y480 WeakPolarHBondContact CG-O 3.27Å; T477-Y480 HydrophobicContact CG2-CD1 3.84Å; T477-Y480 HydrophobicContact CG2-CD2 4.11Å; T477-Y480 HydrophobicContact CG2-CE1 3.93Å; T477-Y480 HydrophobicContact CG2-CE2 4.17Å; T477-Y480 HydrophobicContact CG2-CG 3.96Å; T477-Y480 WeakPolarHBondContact O-CB 3.31Å; T477-Y480 WeakPolarHBondContact O-CD2 3.15Å; T477-Y480 PolarHBondContact O-N 3.4Å; T477-Y480 VanDerWaalsContact O-N 3.16Å; P478-Y480 VanDerWaalsContact C-N 3.3Å; Y480-D484 HydrophobicContact CD1-CB 3.5Å; Y480-D484 VanDerWaalsContact CD1-CB 3.5Å; Y480-D484 HydrophobicContact CE1-CB 4.22Å; Y480-D484 HydrophobicContact CG-CB 4.08Å; Y480-V488 HydrophobicContact CD1-CG2 4.42Å; Y480-V488 HydrophobicContact CE1-CG2 3.94Å; Y480-T516 HydrophobicContact CE1-CG2 4.01Å
481	S	92.9	Very high	90.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	17%	0.168	C	C	.	.			trans	-78.6	166.3	170.4	72.8	0	0	0	0	111.5	A483 D484 I485	S481-A483 PolarHBondContact O-N 3.04Å; S481-A483 PolarHBondContact OG-N 3.37Å; S481-D484 WeakPolarHBondContact CB-OD2 3.22Å; S481-D484 PolarHBondContact N-OD2 3.35Å; S481-D484 PolarHBondContact O-N 2.84Å; S481-D484 PolarHBondContact OG-N 3.44Å; S481-D484 PolarHBondContact OG-OD2 3.16Å; S481-I485 PolarHBondContact O-N 3.34Å
482	G	92.7	Very high	90.8	Very high	12 Å²	12	28.6 Å²	28.6	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-30.5	173.7	0	0	0	0	0	113.2	G297 M486	G297-G482 PolarHBondContact O-N 2.87Å; G482-M486 WeakPolarHBondContact O-CB 3.49Å; G482-M486 PolarHBondContact O-N 3.38Å; G482-M486 VanDerWaalsContact O-N 3.08Å
483	A	92.9	Very high	91.3	Very high	36 Å²	36	26 Å²	26	30%	0.298	15%	0.154	S	C	.	.	H	α-helix	trans	-70.3	-38.1	173.3	0	0	0	0	0	112.6	G297 S481 M486 N487	G297-A483 PolarHBondContact O-N 3.47Å; G297-A483 VanDerWaalsContact O-N 3.11Å; S481-A483 PolarHBondContact O-N 3.04Å; S481-A483 PolarHBondContact OG-N 3.37Å; A483-M486 WeakPolarHBondContact O-CB 3.11Å; A483-M486 PolarHBondContact O-N 3.43Å; A483-N487 WeakPolarHBondContact O-CB 3.49Å; A483-N487 PolarHBondContact O-N 3.34Å
484	D	93.3	Very high	91.6	Very high	65 Å²	65	29.5 Å²	29.5	35%	0.348	17%	0.171	S	C	.	.	H	α-helix	trans	-66.8	-41.3	176.8	-58.4	-50.8	0	0	0	111.1	Y480 S481 N487 V488	Y480-D484 HydrophobicContact CD1-CB 3.5Å; Y480-D484 VanDerWaalsContact CD1-CB 3.5Å; Y480-D484 HydrophobicContact CE1-CB 4.22Å; Y480-D484 HydrophobicContact CG-CB 4.08Å; S481-D484 WeakPolarHBondContact CB-OD2 3.22Å; S481-D484 PolarHBondContact N-OD2 3.35Å; S481-D484 PolarHBondContact O-N 2.84Å; S481-D484 PolarHBondContact OG-N 3.44Å; S481-D484 PolarHBondContact OG-OD2 3.16Å; D484-N487 WeakPolarHBondContact O-CB 3.34Å; D484-N487 PolarHBondContact O-N 3.3Å; D484-N487 VanDerWaalsContact O-N 3.15Å; D484-V488 WeakPolarHBondContact O-CG2 3.35Å; D484-V488 PolarHBondContact O-N 3.45Å
485	I	95	Very high	91.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.1	-65.4	170.7	0	0	0	111.1	R450 I453 F454 Y457 S481 N487 V488 C489	R450-I485 HydrophobicContact CB-CD1 3.94Å; R450-I485 HydrophobicContact CG-CD1 3.74Å; I453-I485 HydrophobicContact CB-CD1 4.18Å; I453-I485 HydrophobicContact CD1-CD1 4.48Å; I453-I485 HydrophobicContact CG2-CB 4.01Å; I453-I485 HydrophobicContact CG2-CD1 3.96Å; I453-I485 HydrophobicContact CG2-CG2 3.74Å; F454-I485 HydrophobicContact CD1-CG2 3.63Å; F454-I485 HydrophobicContact CD2-CD1 4.25Å; F454-I485 HydrophobicContact CD2-CG1 4.44Å; F454-I485 HydrophobicContact CD2-CG2 3.9Å; F454-I485 HydrophobicContact CE1-CG2 3.61Å; F454-I485 HydrophobicContact CE2-CB 4.43Å; F454-I485 HydrophobicContact CE2-CD1 3.95Å; F454-I485 HydrophobicContact CE2-CG1 3.81Å; F454-I485 HydrophobicContact CE2-CG2 3.84Å; F454-I485 HydrophobicContact CG-CG2 3.77Å; F454-I485 HydrophobicContact CZ-CB 4.28Å; F454-I485 HydrophobicContact CZ-CG1 3.95Å; F454-I485 HydrophobicContact CZ-CG2 3.7Å; Y457-I485 HydrophobicContact CD2-CG2 4.21Å; S481-I485 PolarHBondContact O-N 3.34Å; I485-N487 PolarHBondContact O-N 3.06Å; I485-V488 PolarHBondContact O-N 3.24Å; I485-C489 PolarHBondContact O-N 2.79Å; I485-C489 PolarHBondContact O-SG 2.93Å; I485-C489 VanDerWaalsContact O-SG 3.34Å
486	M	94.2	Very high	92.4	Very high	88 Å²	88	32.3 Å²	32.3	43%	0.433	18%	0.182	S	C	.	.	H	α-helix	trans	-56.6	-43.3	172.7	-177.1	-178.7	67.5	0	0	110.9	Y457 G482 A483 C489 N490	Y457-M486 HydrophobicContact CD1-CB 4.23Å; Y457-M486 HydrophobicContact CD1-CG 3.95Å; Y457-M486 HydrophobicContact CD2-CB 4.21Å; Y457-M486 HydrophobicContact CE1-CB 3.8Å; Y457-M486 HydrophobicContact CE1-CG 3.49Å; Y457-M486 VanDerWaalsContact CE1-CG 3.49Å; Y457-M486 HydrophobicContact CE1-SD 3.87Å; Y457-M486 HydrophobicContact CE2-CB 3.75Å; Y457-M486 HydrophobicContact CE2-CG 4.39Å; Y457-M486 HydrophobicContact CG-CB 4.44Å; G482-M486 WeakPolarHBondContact O-CB 3.49Å; G482-M486 PolarHBondContact O-N 3.38Å; G482-M486 VanDerWaalsContact O-N 3.08Å; A483-M486 WeakPolarHBondContact O-CB 3.11Å; A483-M486 PolarHBondContact O-N 3.43Å; M486-C489 PolarHBondContact O-N 3.08Å; M486-N490 VanDerWaalsContact O-CB 3.29Å; M486-N490 WeakPolarHBondContact O-CB 3.33Å; M486-N490 PolarHBondContact O-N 2.75Å
487	N	94.4	Very high	92.9	Very high	69 Å²	69	33.5 Å²	33.5	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-41.5	178.5	-172.2	67.3	0	0	0	112.2	A483 D484 I485 N490 E491	A483-N487 WeakPolarHBondContact O-CB 3.49Å; A483-N487 PolarHBondContact O-N 3.34Å; D484-N487 WeakPolarHBondContact O-CB 3.34Å; D484-N487 PolarHBondContact O-N 3.3Å; D484-N487 VanDerWaalsContact O-N 3.15Å; I485-N487 PolarHBondContact O-N 3.06Å; N487-N490 PolarHBondContact O-N 2.92Å; N487-E491 VanDerWaalsContact O-CB 3.3Å; N487-E491 WeakPolarHBondContact O-CB 3.32Å; N487-E491 PolarHBondContact O-N 2.81Å
488	V	94.6	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-48.7	175.1	172.2	0	0	0	0	111	F454 Y480 D484 I485 N490 E491 A492 A512 L513 T516	F454-V488 HydrophobicContact CE1-CG1 4.32Å; Y480-V488 HydrophobicContact CD1-CG2 4.42Å; Y480-V488 HydrophobicContact CE1-CG2 3.94Å; D484-V488 WeakPolarHBondContact O-CG2 3.35Å; D484-V488 PolarHBondContact O-N 3.45Å; I485-V488 PolarHBondContact O-N 3.24Å; V488-N490 VanDerWaalsContact C-N 3.33Å; V488-N490 PolarHBondContact O-N 3.04Å; V488-E491 PolarHBondContact O-N 3.27Å; V488-A492 PolarHBondContact O-N 3.16Å; V488-A512 HydrophobicContact CG1-CB 4.3Å; V488-A512 WeakPolarHBondContact O-CB 3.48Å; V488-L513 HydrophobicContact CG1-CB 4.5Å; V488-T516 HydrophobicContact CG2-CG2 4.1Å
489	C	95.1	Very high	93.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-40.6	179.8	-62	0	0	0	0	111.7	I461 I485 M486 A492 A493	I461-C489 HydrophobicContact CD1-CB 4.38Å; I485-C489 PolarHBondContact O-N 2.79Å; I485-C489 PolarHBondContact O-SG 2.93Å; I485-C489 VanDerWaalsContact O-SG 3.34Å; M486-C489 PolarHBondContact O-N 3.08Å; C489-A492 PolarHBondContact O-N 3.46Å; C489-A493 PolarHBondContact O-N 2.93Å; C489-A493 VanDerWaalsContact O-N 3.16Å
490	N	95.2	Very high	94	Very high	82 Å²	82	44 Å²	44	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-42.9	177.5	-175.1	57.9	0	0	0	112.1	M486 N487 V488 A492 A493 I494	M486-N490 VanDerWaalsContact O-CB 3.29Å; M486-N490 WeakPolarHBondContact O-CB 3.33Å; M486-N490 PolarHBondContact O-N 2.75Å; N487-N490 PolarHBondContact O-N 2.92Å; V488-N490 VanDerWaalsContact C-N 3.33Å; V488-N490 PolarHBondContact O-N 3.04Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 3.43Å; N490-A493 WeakPolarHBondContact O-CB 3.01Å; N490-A493 PolarHBondContact O-N 3.37Å; N490-I494 WeakPolarHBondContact O-CG1 3.45Å; N490-I494 PolarHBondContact O-N 3.04Å
491	E	94.2	Very high	94.1	Very high	26 Å²	26	46.6 Å²	46.6	12%	0.121	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-34.3	178.6	-169.8	64.3	-155	0	0	111.8	N487 V488 I494 R495 A512 R515	N487-E491 VanDerWaalsContact O-CB 3.3Å; N487-E491 WeakPolarHBondContact O-CB 3.32Å; N487-E491 PolarHBondContact O-N 2.81Å; V488-E491 PolarHBondContact O-N 3.27Å; E491-I494 PolarHBondContact O-N 3.29Å; E491-R495 WeakPolarHBondContact O-CB 3.21Å; E491-R495 PolarHBondContact O-N 3.04Å; E491-A512 HydrophobicContact CB-CB 3.98Å; E491-A512 HydrophobicContact CG-CB 4.21Å; E491-R515 HydrophobicContact CG-CG 4.44Å; E491-R515 VanDerWaalsContact OE1-CD 3.22Å; E491-R515 WeakPolarHBondContact OE1-CD 2.99Å; E491-R515 IonicContact OE1-CZ 2.67Å; E491-R515 IonicContact OE1-NE 3.53Å; E491-R515 PolarHBondContact OE1-NE 2.87Å; E491-R515 IonicContact OE1-NH1 3.97Å; E491-R515 IonicContact OE1-NH2 2.65Å; E491-R515 PolarHBondContact OE1-NH2 2.88Å
492	A	94.6	Very high	94.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-42.6	172.8	0	0	0	0	0	111.6	V488 C489 N490 R495 A496 V504 L509 A512	V488-A492 PolarHBondContact O-N 3.16Å; C489-A492 PolarHBondContact O-N 3.46Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 3.43Å; A492-R495 PolarHBondContact O-N 2.91Å; A492-A496 WeakPolarHBondContact O-CB 3.45Å; A492-A496 PolarHBondContact O-N 3.04Å; A492-V504 HydrophobicContact CB-CG1 3.86Å; A492-L509 HydrophobicContact CB-CD2 3.67Å; A492-L509 HydrophobicContact CB-CG 4.04Å; A492-A512 HydrophobicContact CB-CB 3.71Å
493	A	95	Very high	94.2	Very high	24 Å²	24	58.8 Å²	58.8	20%	0.198	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-43	175.1	0	0	0	0	0	112.3	I461 C489 N490 R495 A496 A497 V504	I461-A493 HydrophobicContact CG2-CB 4.17Å; C489-A493 PolarHBondContact O-N 2.93Å; C489-A493 VanDerWaalsContact O-N 3.16Å; N490-A493 WeakPolarHBondContact O-CB 3.01Å; N490-A493 PolarHBondContact O-N 3.37Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 2.92Å; A493-A496 PolarHBondContact O-N 3.24Å; A493-A497 WeakPolarHBondContact O-CB 3.26Å; A493-A497 PolarHBondContact O-N 2.79Å; A493-V504 HydrophobicContact CB-CG2 4.22Å
494	I	94.9	Very high	94.2	Very high	76 Å²	76	57.4 Å²	57.4	39%	0.39	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-43	175.7	-69.8	167.8	0	0	0	110.6	N490 E491 A497 T498	N490-I494 WeakPolarHBondContact O-CG1 3.45Å; N490-I494 PolarHBondContact O-N 3.04Å; E491-I494 PolarHBondContact O-N 3.29Å; I494-A497 PolarHBondContact O-N 2.93Å; I494-T498 WeakPolarHBondContact O-CB 3.48Å; I494-T498 PolarHBondContact O-N 3Å; I494-T498 PolarHBondContact O-OG1 3.23Å
495	R	93.4	Very high	94.1	Very high	65 Å²	65	56.8 Å²	56.8	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-50.6	176.1	174	175.7	179.9	95.9	-11.1	112.1	E491 A492 A493 A497 T498 L499 D508 Y511	E491-R495 WeakPolarHBondContact O-CB 3.21Å; E491-R495 PolarHBondContact O-N 3.04Å; A492-R495 PolarHBondContact O-N 2.91Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 2.92Å; R495-A497 VanDerWaalsContact C-N 3.28Å; R495-A497 PolarHBondContact O-N 3.4Å; R495-T498 WeakPolarHBondContact O-CB 3.47Å; R495-T498 PolarHBondContact O-N 3.13Å; R495-T498 VanDerWaalsContact O-N 3.1Å; R495-L499 HydrophobicContact CG-CD1 4.09Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.24Å; R495-D508 WeakPolarHBondContact CD-OD1 3.24Å; R495-D508 HydrophobicContact CG-CB 4.4Å; R495-D508 IonicContact NE-OD1 3.57Å; R495-D508 PolarHBondContact NE-OD1 3.25Å; R495-Y511 HydrophobicContact CG-CD1 4.36Å; R495-Y511 VanDerWaalsContact NH1-CE1 3.34Å
496	A	95.1	Very high	93.9	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-44.5	180	0	0	0	0	0	110.8	A492 A493 T498 L499 G500 K501 V504	A492-A496 WeakPolarHBondContact O-CB 3.45Å; A492-A496 PolarHBondContact O-N 3.04Å; A493-A496 PolarHBondContact O-N 3.24Å; A496-T498 PolarHBondContact O-N 2.78Å; A496-L499 PolarHBondContact O-N 3.16Å; A496-G500 PolarHBondContact O-N 3.45Å; A496-K501 HydrophobicContact CB-CB 4.28Å; A496-K501 WeakPolarHBondContact O-CB 3.19Å; A496-K501 PolarHBondContact O-N 2.88Å; A496-V504 HydrophobicContact CB-CG2 3.95Å
497	A	95.3	Very high	93.7	Very high	71 Å²	71	56.6 Å²	56.6	59%	0.587	33%	0.326	S	S	*	.	H	α-helix	trans	-62.8	-40	175.2	0	0	0	0	0	112.7	A493 I494 R495 L499 G500	A493-A497 WeakPolarHBondContact O-CB 3.26Å; A493-A497 PolarHBondContact O-N 2.79Å; I494-A497 PolarHBondContact O-N 2.93Å; R495-A497 VanDerWaalsContact C-N 3.28Å; R495-A497 PolarHBondContact O-N 3.4Å; A497-L499 VanDerWaalsContact C-N 3.28Å; A497-L499 PolarHBondContact O-N 3.43Å; A497-G500 PolarHBondContact O-N 2.96Å; A497-G500 VanDerWaalsContact O-N 3.07Å
498	T	93.8	Very high	93.6	Very high	115 Å²	115	53.4 Å²	53.4	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-32.6	177.1	-56.9	0	0	0	0	112.1	I494 R495 A496 G500	I494-T498 WeakPolarHBondContact O-CB 3.48Å; I494-T498 PolarHBondContact O-N 3Å; I494-T498 PolarHBondContact O-OG1 3.23Å; R495-T498 WeakPolarHBondContact O-CB 3.47Å; R495-T498 PolarHBondContact O-N 3.13Å; R495-T498 VanDerWaalsContact O-N 3.1Å; A496-T498 PolarHBondContact O-N 2.78Å; T498-G500 VanDerWaalsContact C-N 3.27Å
499	L	93.5	Very high	93.5	Very high	97 Å²	97	53.4 Å²	53.4	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.5	175.3	-65.4	176.2	0	0	0	113.2	R495 A496 A497 K501	R495-L499 HydrophobicContact CG-CD1 4.09Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.24Å; A496-L499 PolarHBondContact O-N 3.16Å; A497-L499 VanDerWaalsContact C-N 3.28Å; A497-L499 PolarHBondContact O-N 3.43Å; L499-K501 VanDerWaalsContact C-N 3.32Å; L499-K501 HydrophobicContact CB-CG 4.13Å
500	G	93.3	Very high	93.2	Very high	65 Å²	65	56.6 Å²	56.6	67%	0.67	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	25.1	-176.8	0	0	0	0	0	114	A496 A497 T498	A496-G500 PolarHBondContact O-N 3.45Å; A497-G500 PolarHBondContact O-N 2.96Å; A497-G500 VanDerWaalsContact O-N 3.07Å; T498-G500 VanDerWaalsContact C-N 3.27Å
501	K	93.2	Very high	92.9	Very high	78 Å²	78	54 Å²	54	34%	0.339	31%	0.307	S	S	.	.			trans	-83.7	144.4	174.6	-59.4	-179.6	-177.1	178.6	0	110.6	A496 L499 D508	A496-K501 HydrophobicContact CB-CB 4.28Å; A496-K501 WeakPolarHBondContact O-CB 3.19Å; A496-K501 PolarHBondContact O-N 2.88Å; L499-K501 VanDerWaalsContact C-N 3.32Å; L499-K501 HydrophobicContact CB-CG 4.13Å; K501-D508 WeakPolarHBondContact CD-OD2 3.43Å; K501-D508 VanDerWaalsContact NZ-CG 3.27Å; K501-D508 IonicContact NZ-OD1 3.79Å; K501-D508 PolarHBondContact NZ-OD1 2.69Å; K501-D508 IonicContact NZ-OD2 2.65Å; K501-D508 PolarHBondContact NZ-OD2 3.31Å
502	D	92.8	Very high	92.8	Very high	132 Å²	132	52.8 Å²	52.8	71%	0.706	30%	0.302	S	S	*	.	S	Bend	trans	-80	-20.2	176.1	-67.8	-42.5	0	0	0	113.8
503	Y	94.1	Very high	92.5	Very high	140 Å²	140	53.3 Å²	53.3	55%	0.549	30%	0.304	S	S	.	.	S	Bend	trans	-137.3	151.8	-175.6	-51.1	-86.6	0	0	0	110.6	K462	K462-Y503 HydrophobicContact CB-CD1 4.16Å
504	V	93.7	Very high	92	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-80.2	128.8	173.2	-178.3	0	0	0	0	109.8	I461 K462 S464 I467 A492 A493 A496 D508 L509	I461-V504 HydrophobicContact CD1-CG2 4.23Å; K462-V504 PolarHBondContact O-N 3.18Å; S464-V504 WeakPolarHBondContact CB-O 3.36Å; S464-V504 PolarHBondContact N-O 2.93Å; S464-V504 PolarHBondContact OG-O 3.09Å; S464-V504 VanDerWaalsContact OG-O 3.09Å; I467-V504 WeakPolarHBondContact CD1-O 3.48Å; A492-V504 HydrophobicContact CB-CG1 3.86Å; A493-V504 HydrophobicContact CB-CG2 4.22Å; A496-V504 HydrophobicContact CB-CG2 3.95Å; V504-D508 HydrophobicContact CG1-CB 4.13Å; V504-L509 HydrophobicContact CG1-CG 4.07Å
505	D	91.7	Very high	91.6	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	30%	0.295	S	S	.	.			trans	-104.7	165.3	178.3	-164.1	4.4	0	0	0	111.6	A507 D508 L509	D505-A507 VanDerWaalsContact C-N 3.29Å; D505-A507 PolarHBondContact O-N 3.28Å; D505-D508 PolarHBondContact N-OD2 3.29Å; D505-D508 WeakPolarHBondContact O-CB 3.34Å; D505-D508 PolarHBondContact O-N 3.22Å; D505-L509 PolarHBondContact O-N 2.91Å
506	S	90.8	Very high	91.2	Very high	37 Å²	37	51.1 Å²	51.1	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-47.9	-49	172.8	54.2	0	0	0	0	112.6	N466 D508 L509 E510	N466-S506 WeakPolarHBondContact O-CB 3.47Å; S506-D508 PolarHBondContact O-N 2.76Å; S506-L509 PolarHBondContact O-N 2.96Å; S506-E510 PolarHBondContact O-N 3.01Å
507	A	89	Confident	90.4	Very high	48 Å²	48	54.4 Å²	54.4	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-28	178.6	0	0	0	0	0	113.5	D505 Y511	D505-A507 VanDerWaalsContact C-N 3.29Å; D505-A507 PolarHBondContact O-N 3.28Å; A507-Y511 WeakPolarHBondContact O-CB 3.48Å; A507-Y511 PolarHBondContact O-N 3.22Å; A507-Y511 VanDerWaalsContact O-N 3.15Å
508	D	92.5	Very high	89.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-78.8	-36.8	178.1	-59.4	-45.6	0	0	0	111.5	R495 K501 V504 D505 S506 A512	R495-D508 WeakPolarHBondContact CD-OD1 3.24Å; R495-D508 HydrophobicContact CG-CB 4.4Å; R495-D508 IonicContact NE-OD1 3.57Å; R495-D508 PolarHBondContact NE-OD1 3.25Å; K501-D508 WeakPolarHBondContact CD-OD2 3.43Å; K501-D508 VanDerWaalsContact NZ-CG 3.27Å; K501-D508 IonicContact NZ-OD1 3.79Å; K501-D508 PolarHBondContact NZ-OD1 2.69Å; K501-D508 IonicContact NZ-OD2 2.65Å; K501-D508 PolarHBondContact NZ-OD2 3.31Å; V504-D508 HydrophobicContact CG1-CB 4.13Å; D505-D508 PolarHBondContact N-OD2 3.29Å; D505-D508 WeakPolarHBondContact O-CB 3.34Å; D505-D508 PolarHBondContact O-N 3.22Å; S506-D508 PolarHBondContact O-N 2.76Å; D508-A512 WeakPolarHBondContact O-CB 3.49Å; D508-A512 PolarHBondContact O-N 3.05Å
509	L	92.2	Very high	88.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-44.5	172.5	-79.2	165.7	0	0	0	112	L458 I467 P468 L473 A492 V504 D505 S506 Y511 A512 L513	L458-L509 HydrophobicContact CD2-CD1 4.14Å; L458-L509 HydrophobicContact CD2-CD2 4.03Å; I467-L509 HydrophobicContact CD1-CD1 4.06Å; I467-L509 HydrophobicContact CG1-CD1 4.28Å; I467-L509 HydrophobicContact CG2-CD1 3.81Å; P468-L509 HydrophobicContact CG-CD1 4.3Å; L473-L509 HydrophobicContact CD1-CD1 4.36Å; A492-L509 HydrophobicContact CB-CD2 3.67Å; A492-L509 HydrophobicContact CB-CG 4.04Å; V504-L509 HydrophobicContact CG1-CG 4.07Å; D505-L509 PolarHBondContact O-N 2.91Å; S506-L509 PolarHBondContact O-N 2.96Å; L509-Y511 VanDerWaalsContact C-N 3.35Å; L509-Y511 PolarHBondContact O-N 3.34Å; L509-A512 PolarHBondContact O-N 2.86Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 PolarHBondContact O-N 3.15Å
510	E	89.2	Confident	88.3	Confident	70 Å²	70	43 Å²	43	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-46	175.7	-73.4	-171.9	177.8	0	0	111.2	S506 A512 L513 E514	S506-E510 PolarHBondContact O-N 3.01Å; E510-A512 VanDerWaalsContact C-N 3.31Å; E510-A512 PolarHBondContact O-N 3.23Å; E510-L513 WeakPolarHBondContact O-CB 3.36Å; E510-L513 PolarHBondContact O-N 3.38Å; E510-E514 WeakPolarHBondContact O-CG 3.31Å; E510-E514 PolarHBondContact O-N 3Å
511	Y	88.9	Confident	87.6	Confident	28 Å²	28	43 Å²	43	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-42.1	174.7	176.5	-87.2	0	0	0	112.2	R495 A507 L509 L513 E514 R515 E521	R495-Y511 HydrophobicContact CG-CD1 4.36Å; R495-Y511 VanDerWaalsContact NH1-CE1 3.34Å; A507-Y511 WeakPolarHBondContact O-CB 3.48Å; A507-Y511 PolarHBondContact O-N 3.22Å; A507-Y511 VanDerWaalsContact O-N 3.15Å; L509-Y511 VanDerWaalsContact C-N 3.35Å; L509-Y511 PolarHBondContact O-N 3.34Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; Y511-E514 PolarHBondContact O-N 3.19Å; Y511-R515 HydrophobicContact CD1-CB 4.37Å; Y511-R515 HydrophobicContact CE1-CB 4.15Å; Y511-R515 HydrophobicContact CE1-CG 4.5Å; Y511-R515 WeakPolarHBondContact O-CB 3.22Å; Y511-R515 PolarHBondContact O-N 3.17Å; Y511-R515 PolarHBondContact OH-NH1 3.5Å; Y511-E521 WeakPolarHBondContact CD2-OE1 3.39Å; Y511-E521 VanDerWaalsContact CE2-CD 3.49Å; Y511-E521 HydrophobicContact CE2-CG 4.19Å; Y511-E521 VanDerWaalsContact CE2-OE1 3.24Å; Y511-E521 WeakPolarHBondContact CE2-OE1 3.49Å
512	A	92	Very high	86.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-39.8	-180	0	0	0	0	0	112.2	V488 E491 A492 D508 L509 E510 R515 T516	V488-A512 HydrophobicContact CG1-CB 4.3Å; V488-A512 WeakPolarHBondContact O-CB 3.48Å; E491-A512 HydrophobicContact CB-CB 3.98Å; E491-A512 HydrophobicContact CG-CB 4.21Å; A492-A512 HydrophobicContact CB-CB 3.71Å; D508-A512 WeakPolarHBondContact O-CB 3.49Å; D508-A512 PolarHBondContact O-N 3.05Å; L509-A512 PolarHBondContact O-N 2.86Å; E510-A512 VanDerWaalsContact C-N 3.31Å; E510-A512 PolarHBondContact O-N 3.23Å; A512-R515 PolarHBondContact O-N 2.88Å; A512-T516 WeakPolarHBondContact O-CB 3.49Å; A512-T516 PolarHBondContact O-N 3.44Å; A512-T516 PolarHBondContact O-OG1 3.15Å
513	L	88.8	Confident	85.9	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-49.9	173	179.2	67.4	0	0	0	110.8	R476 T477 V488 L509 E510 Y511 R515 T516 L517	R476-L513 HydrophobicContact CB-CD2 3.81Å; T477-L513 HydrophobicContact CG2-CD1 3.34Å; V488-L513 HydrophobicContact CG1-CB 4.5Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 PolarHBondContact O-N 3.15Å; E510-L513 WeakPolarHBondContact O-CB 3.36Å; E510-L513 PolarHBondContact O-N 3.38Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.03Å; L513-T516 PolarHBondContact O-N 3.49Å; L513-L517 PolarHBondContact O-N 2.82Å
514	E	84.3	Confident	84.7	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-42.2	177.8	-73.5	-175	-167.8	0	0	112.6	E510 Y511 T516 L517 S518 K557 R563 F572	E510-E514 WeakPolarHBondContact O-CG 3.31Å; E510-E514 PolarHBondContact O-N 3Å; Y511-E514 PolarHBondContact O-N 3.19Å; E514-T516 VanDerWaalsContact C-N 3.35Å; E514-L517 PolarHBondContact O-N 3.33Å; E514-S518 PolarHBondContact O-N 3.22Å; E514-K557 WeakPolarHBondContact OE1-CD 3.4Å; E514-K557 WeakPolarHBondContact OE1-CE 3.49Å; E514-K557 IonicContact OE1-NZ 2.75Å; E514-K557 PolarHBondContact OE1-NZ 3.45Å; E514-K557 IonicContact OE2-NZ 3.13Å; E514-R563 IonicContact OE2-CZ 3.24Å; E514-R563 IonicContact OE2-NH2 2.64Å; E514-R563 PolarHBondContact OE2-NH2 2.94Å; E514-F572 HydrophobicContact CG-CZ 4.5Å
515	R	86.3	Confident	83.4	Confident	86 Å²	86	49.3 Å²	49.3	33%	0.325	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-38.1	178.7	178.1	169	170.5	132.7	-11	112	E491 Y511 A512 L513 L517 G519	E491-R515 HydrophobicContact CG-CG 4.44Å; E491-R515 VanDerWaalsContact OE1-CD 3.22Å; E491-R515 WeakPolarHBondContact OE1-CD 2.99Å; E491-R515 IonicContact OE1-CZ 2.67Å; E491-R515 IonicContact OE1-NE 3.53Å; E491-R515 PolarHBondContact OE1-NE 2.87Å; E491-R515 IonicContact OE1-NH1 3.97Å; E491-R515 IonicContact OE1-NH2 2.65Å; E491-R515 PolarHBondContact OE1-NH2 2.88Å; Y511-R515 HydrophobicContact CD1-CB 4.37Å; Y511-R515 HydrophobicContact CE1-CB 4.15Å; Y511-R515 HydrophobicContact CE1-CG 4.5Å; Y511-R515 WeakPolarHBondContact O-CB 3.22Å; Y511-R515 PolarHBondContact O-N 3.17Å; Y511-R515 PolarHBondContact OH-NH1 3.5Å; A512-R515 PolarHBondContact O-N 2.88Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.03Å; R515-L517 VanDerWaalsContact C-N 3.35Å; R515-G519 WeakPolarHBondContact CA-O 3.34Å; R515-G519 WeakPolarHBondContact O-CA 3.2Å; R515-G519 PolarHBondContact O-N 3.49Å
516	T	85	Confident	82.1	Confident	21 Å²	21	52.2 Å²	52.2	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-41.6	176.7	-57.4	0	0	0	0	110.5	Y480 V488 A512 L513 E514 K565	Y480-T516 HydrophobicContact CE1-CG2 4.01Å; V488-T516 HydrophobicContact CG2-CG2 4.1Å; A512-T516 WeakPolarHBondContact O-CB 3.49Å; A512-T516 PolarHBondContact O-N 3.44Å; A512-T516 PolarHBondContact O-OG1 3.15Å; L513-T516 PolarHBondContact O-N 3.49Å; E514-T516 VanDerWaalsContact C-N 3.35Å; T516-K565 PolarHBondContact O-NZ 3.16Å
517	L	79.1	Confident	81.4	Confident	72 Å²	72	52.5 Å²	52.5	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-56.9	178.4	-171.9	67.5	0	0	0	112.7	L513 E514 R515 Q574	L513-L517 PolarHBondContact O-N 2.82Å; E514-L517 PolarHBondContact O-N 3.33Å; R515-L517 VanDerWaalsContact C-N 3.35Å; L517-Q574 HydrophobicContact CD2-CG 4.27Å
518	S	75.4	Confident	81.2	Confident	10 Å²	10	54 Å²	54	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-112.7	-1.9	-165.5	-58.1	0	0	0	0	114.4	E514 R563 K565	E514-S518 PolarHBondContact O-N 3.22Å; S518-R563 WeakPolarHBondContact O-CB 3.44Å; S518-K565 VanDerWaalsContact O-CB 3.32Å; S518-K565 WeakPolarHBondContact O-CB 3.38Å; S518-K565 PolarHBondContact O-N 3.15Å
519	G	81.6	Confident	80.9	Confident	7 Å²	7	61 Å²	61	7%	0.072	32%	0.322	C	S	.	.			trans	86.2	-179.6	-177.9	0	0	0	0	0	114.1	R515 R563	R515-G519 WeakPolarHBondContact CA-O 3.34Å; R515-G519 WeakPolarHBondContact O-CA 3.2Å; R515-G519 PolarHBondContact O-N 3.49Å; G519-R563 PolarHBondContact O-NH1 2.69Å
520	A	80.3	Confident	80.7	Confident	28 Å²	28	64.9 Å²	64.9	23%	0.231	35%	0.347	C	S	.	.			trans	-70.8	148.1	-178.1	0	0	0	0	0	112	R563 T564	A520-R563 CarbonylContact O-C 3.59Å; A520-R563 WeakPolarHBondContact O-CA 3.36Å; A520-T564 WeakPolarHBondContact CA-OG1 3.24Å; A520-T564 PolarHBondContact N-OG1 3.29Å; A520-T564 VanDerWaalsContact N-OG1 3.08Å; A520-T564 PolarHBondContact O-N 3.49Å; A520-T564 PolarHBondContact O-OG1 2.84Å
521	E	78.8	Confident	80.7	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.299	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-68.1	134.3	176.4	-67.6	167.9	-172.3	0	0	111	Y511 K523 V561 R563	Y511-E521 WeakPolarHBondContact CD2-OE1 3.39Å; Y511-E521 VanDerWaalsContact CE2-CD 3.49Å; Y511-E521 HydrophobicContact CE2-CG 4.19Å; Y511-E521 VanDerWaalsContact CE2-OE1 3.24Å; Y511-E521 WeakPolarHBondContact CE2-OE1 3.49Å; E521-K523 PolarHBondContact O-N 3.2Å; E521-V561 HydrophobicContact CG-CG1 4.18Å; E521-R563 HydrophobicContact CG-CG 4.48Å; E521-R563 IonicContact OE1-CZ 3.38Å; E521-R563 IonicContact OE1-NH1 3.78Å; E521-R563 IonicContact OE1-NH2 3.29Å; E521-R563 PolarHBondContact OE1-NH2 3.32Å
522	R	77.6	Confident	80.7	Confident	109 Å²	109	66.6 Å²	66.6	41%	0.411	36%	0.355	S	S	.	.			trans	-91.1	99.7	176	-66.6	-178.1	67.8	168.3	0.1	109.5	T524 T525 P562	R522-T524 VanDerWaalsContact C-N 3.34Å; R522-T525 PolarHBondContact NE-OG1 2.98Å; R522-T525 PolarHBondContact NH2-OG1 3.4Å; R522-P562 PolarHBondContact N-O 2.92Å
523	K	72.7	Confident	80.8	Confident	196 Å²	196	70.2 Å²	70.2	85%	0.852	37%	0.372	S	S	*	.	S	Bend	trans	-73.8	-23	176.8	-63	-173.5	179.3	-175.7	0	114	E521	E521-K523 PolarHBondContact O-N 3.2Å
524	T	69	Low	80.9	Confident	133 Å²	133	74 Å²	74	82%	0.816	39%	0.385	S	S	*	.	S	Bend	trans	-94.7	-9.5	-170.6	55.2	0	0	0	0	114.7	R522 S526	R522-T524 VanDerWaalsContact C-N 3.34Å; T524-S526 PolarHBondContact O-N 3.37Å
525	T	66.1	Low	81.2	Confident	50 Å²	50	74.3 Å²	74.3	31%	0.307	39%	0.387	S	S	.	.			trans	-78.6	112.4	-179.5	-53.1	0	0	0	0	109.4	R522 V527	R522-T525 PolarHBondContact NE-OG1 2.98Å; R522-T525 PolarHBondContact NH2-OG1 3.4Å; T525-V527 HydrophobicContact CG2-CG2 4.13Å; T525-V527 PolarHBondContact O-N 2.75Å
526	S	65.4	Low	81.6	Confident	113 Å²	113	70.2 Å²	70.2	79%	0.79	37%	0.372	S	S	*	.			trans	-75.6	88.3	168.5	57.6	0	0	0	0	109.3	T524	T524-S526 PolarHBondContact O-N 3.37Å
527	V	75.2	Confident	82.1	Confident	43 Å²	43	70.6 Å²	70.6	26%	0.261	37%	0.371	S	S	.	.			trans	-70.4	128	166.3	-177.5	0	0	0	0	107.3	T525 E531 K532 I535 P562	T525-V527 HydrophobicContact CG2-CG2 4.13Å; T525-V527 PolarHBondContact O-N 2.75Å; V527-E531 HydrophobicContact CG1-CB 3.95Å; V527-E531 HydrophobicContact CG1-CG 3.86Å; V527-K532 HydrophobicContact CG1-CB 3.92Å; V527-I535 HydrophobicContact CG1-CD1 4.35Å; V527-P562 HydrophobicContact CG2-CG 4.28Å
528	T	85.2	Confident	82.8	Confident	81 Å²	81	67.5 Å²	67.5	50%	0.497	36%	0.355	S	S	.	.			trans	-69.1	150.4	178.5	62.7	0	0	0	0	110.4	E531 K532	T528-E531 WeakPolarHBondContact O-CB 3.17Å; T528-E531 PolarHBondContact O-N 3.08Å; T528-E531 VanDerWaalsContact O-N 3.09Å; T528-E531 VanDerWaalsContact OG1-CB 3.22Å; T528-E531 WeakPolarHBondContact OG1-CB 3.22Å; T528-K532 PolarHBondContact O-N 2.82Å
529	L	86.4	Confident	83.6	Confident	147 Å²	147	67.5 Å²	67.5	77%	0.77	35%	0.354	S	S	*	.	H	α-helix	trans	-54	-44.4	179.3	-70.3	171.7	0	0	0	113.4	E531 K532 E533	L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 2.83Å; L529-K532 PolarHBondContact O-N 2.7Å; L529-E533 WeakPolarHBondContact O-CB 3.04Å; L529-E533 PolarHBondContact O-N 3.13Å
530	P	88.6	Confident	84.2	Confident	81 Å²	81	67.1 Å²	67.1	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-32.5	177.5	-21.8	34.5	0	0	0	113.6	R534	P530-R534 PolarHBondContact O-N 2.82Å
531	E	88.3	Confident	84.9	Confident	91 Å²	91	65.8 Å²	65.8	43%	0.425	34%	0.339	S	S	.	.	H	α-helix	trans	-72.5	-42.8	176.2	-176.1	178.3	-161.5	0	0	111.1	V527 T528 L529 E533 R534 I535	V527-E531 HydrophobicContact CG1-CB 3.95Å; V527-E531 HydrophobicContact CG1-CG 3.86Å; T528-E531 WeakPolarHBondContact O-CB 3.17Å; T528-E531 PolarHBondContact O-N 3.08Å; T528-E531 VanDerWaalsContact O-N 3.09Å; T528-E531 VanDerWaalsContact OG1-CB 3.22Å; T528-E531 WeakPolarHBondContact OG1-CB 3.22Å; L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 2.83Å; E531-E533 VanDerWaalsContact C-N 3.31Å; E531-E533 PolarHBondContact O-N 3.37Å; E531-R534 PolarHBondContact O-N 3.38Å; E531-I535 HydrophobicContact CG-CD1 4.26Å; E531-I535 VanDerWaalsContact O-CG1 3.31Å; E531-I535 WeakPolarHBondContact O-CG1 3.18Å; E531-I535 PolarHBondContact O-N 3.06Å
532	K	89.3	Confident	85.6	Confident	43 Å²	43	63.3 Å²	63.3	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-41	174.1	-171.7	176.1	173.8	-177.1	0	111.4	V527 T528 L529 I535 A536 I560 L703 E706	V527-K532 HydrophobicContact CG1-CB 3.92Å; T528-K532 PolarHBondContact O-N 2.82Å; L529-K532 PolarHBondContact O-N 2.7Å; K532-I535 PolarHBondContact O-N 3.05Å; K532-A536 WeakPolarHBondContact O-CB 3.3Å; K532-A536 PolarHBondContact O-N 3.42Å; K532-I560 HydrophobicContact CD-CD1 4.23Å; K532-I560 HydrophobicContact CG-CD1 3.83Å; K532-L703 HydrophobicContact CG-CD2 3.99Å; K532-E706 IonicContact NZ-OE1 2.74Å; K532-E706 PolarHBondContact NZ-OE1 3Å
533	E	92.7	Very high	86.3	Confident	76 Å²	76	58.1 Å²	58.1	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-46.4	173.4	-171.5	-176.4	-166.1	0	0	112.1	L529 E531 I535 A536 Y537 Y606 L703	L529-E533 WeakPolarHBondContact O-CB 3.04Å; L529-E533 PolarHBondContact O-N 3.13Å; E531-E533 VanDerWaalsContact C-N 3.31Å; E531-E533 PolarHBondContact O-N 3.37Å; E533-I535 VanDerWaalsContact C-N 3.35Å; E533-I535 PolarHBondContact O-N 2.72Å; E533-A536 WeakPolarHBondContact O-CB 3.44Å; E533-A536 PolarHBondContact O-N 2.96Å; E533-A536 VanDerWaalsContact O-N 3.13Å; E533-Y537 HydrophobicContact CG-CD2 4.01Å; E533-Y537 HydrophobicContact CG-CE2 3.84Å; E533-Y537 WeakPolarHBondContact O-CD2 3.36Å; E533-Y537 PolarHBondContact O-N 3.11Å; E533-Y606 WeakPolarHBondContact CG-OH 3.25Å; E533-L703 HydrophobicContact CB-CD1 4.38Å; E533-L703 HydrophobicContact CB-CD2 4.48Å; E533-L703 HydrophobicContact CG-CD1 4.04Å
534	R	92.2	Very high	87.3	Confident	90 Å²	90	48.8 Å²	48.8	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-43.4	177.4	-175.1	174.9	-67.5	141.6	-2.6	112.2	P530 E531 A536 Y537 H538 E602 Y606	P530-R534 PolarHBondContact O-N 2.82Å; E531-R534 PolarHBondContact O-N 3.38Å; R534-A536 VanDerWaalsContact C-N 3.3Å; R534-A536 PolarHBondContact O-N 3.19Å; R534-Y537 PolarHBondContact O-N 3.03Å; R534-H538 WeakPolarHBondContact O-CB 3.46Å; R534-H538 PolarHBondContact O-N 2.67Å; R534-E602 HydrophobicContact CG-CG 4.2Å; R534-Y606 HydrophobicContact CB-CE2 4.01Å; R534-Y606 HydrophobicContact CG-CD2 4.34Å; R534-Y606 HydrophobicContact CG-CE2 3.88Å; R534-Y606 PolarHBondContact N-OH 3.35Å
535	I	91.3	Very high	88.5	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-41.7	174.8	-65.1	164.8	0	0	0	110.1	V527 E531 K532 E533 Y537 H538 E539 I560	V527-I535 HydrophobicContact CG1-CD1 4.35Å; E531-I535 HydrophobicContact CG-CD1 4.26Å; E531-I535 VanDerWaalsContact O-CG1 3.31Å; E531-I535 WeakPolarHBondContact O-CG1 3.18Å; E531-I535 PolarHBondContact O-N 3.06Å; K532-I535 PolarHBondContact O-N 3.05Å; E533-I535 VanDerWaalsContact C-N 3.35Å; E533-I535 PolarHBondContact O-N 2.72Å; I535-Y537 PolarHBondContact O-N 3.35Å; I535-H538 WeakPolarHBondContact O-CB 3.36Å; I535-H538 PolarHBondContact O-N 2.95Å; I535-E539 HydrophobicContact CG2-CG 4.19Å; I535-E539 WeakPolarHBondContact O-CG 3.25Å; I535-E539 PolarHBondContact O-N 3.06Å; I535-I560 HydrophobicContact CG2-CB 4.23Å; I535-I560 HydrophobicContact CG2-CG2 4.03Å
536	A	93	Very high	89.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-41.7	177.5	0	0	0	0	0	112.4	K532 E533 R534 H538 S540 I560 T699 L702 L703	K532-A536 WeakPolarHBondContact O-CB 3.3Å; K532-A536 PolarHBondContact O-N 3.42Å; E533-A536 WeakPolarHBondContact O-CB 3.44Å; E533-A536 PolarHBondContact O-N 2.96Å; E533-A536 VanDerWaalsContact O-N 3.13Å; R534-A536 VanDerWaalsContact C-N 3.3Å; R534-A536 PolarHBondContact O-N 3.19Å; A536-H538 VanDerWaalsContact C-N 3.35Å; A536-S540 WeakPolarHBondContact O-CB 3.36Å; A536-S540 PolarHBondContact O-N 3.3Å; A536-S540 PolarHBondContact O-OG 3.38Å; A536-I560 HydrophobicContact CB-CD1 4.41Å; A536-I560 HydrophobicContact CB-CG2 4.08Å; A536-T699 HydrophobicContact CB-CG2 3.72Å; A536-L702 HydrophobicContact CB-CD2 4.16Å; A536-L702 HydrophobicContact CB-CG 4.46Å; A536-L703 HydrophobicContact CB-CD1 4.42Å; A536-L703 HydrophobicContact CB-CD2 3.76Å; A536-L703 HydrophobicContact CB-CG 3.78Å
537	Y	95.2	Very high	90.9	Very high	30 Å²	30	35 Å²	35	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-39.7	173	-84.9	-67	0	0	0	112.3	E533 R534 I535 G541 A601 V605 Y606 L695 T699	E533-Y537 HydrophobicContact CG-CD2 4.01Å; E533-Y537 HydrophobicContact CG-CE2 3.84Å; E533-Y537 WeakPolarHBondContact O-CD2 3.36Å; E533-Y537 PolarHBondContact O-N 3.11Å; R534-Y537 PolarHBondContact O-N 3.03Å; I535-Y537 PolarHBondContact O-N 3.35Å; Y537-G541 PolarHBondContact O-N 3.33Å; Y537-A601 WeakPolarHBondContact O-CB 3.41Å; Y537-V605 HydrophobicContact CD1-CB 4.5Å; Y537-V605 HydrophobicContact CD1-CG1 4.41Å; Y537-V605 HydrophobicContact CD1-CG2 3.76Å; Y537-V605 HydrophobicContact CD2-CG1 4.2Å; Y537-V605 HydrophobicContact CE1-CG1 4.18Å; Y537-V605 HydrophobicContact CE1-CG2 3.79Å; Y537-V605 HydrophobicContact CE2-CG1 3.96Å; Y537-V605 HydrophobicContact CG-CG1 4.42Å; Y537-V605 HydrophobicContact CG-CG2 4.34Å; Y537-Y606 HydrophobicContact CD2-CE2 4.03Å; Y537-Y606 WeakPolarHBondContact CD2-OH 3.24Å; Y537-L695 HydrophobicContact CD1-CG 4.34Å; Y537-T699 HydrophobicContact CD1-CG2 3.81Å; Y537-T699 WeakPolarHBondContact CD1-OG1 3.38Å; Y537-T699 HydrophobicContact CD2-CG2 3.8Å; Y537-T699 HydrophobicContact CE1-CG2 3.88Å; Y537-T699 HydrophobicContact CE2-CG2 3.86Å; Y537-T699 HydrophobicContact CG-CG2 3.77Å
538	H	93.7	Very high	91.7	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-54.5	177.2	-170.6	105	0	0	0	111.4	R534 I535 A536 S540 G541 H542 G598 E602 D616	R534-H538 WeakPolarHBondContact O-CB 3.46Å; R534-H538 PolarHBondContact O-N 2.67Å; I535-H538 WeakPolarHBondContact O-CB 3.36Å; I535-H538 PolarHBondContact O-N 2.95Å; A536-H538 VanDerWaalsContact C-N 3.35Å; H538-S540 PolarHBondContact O-N 3.2Å; H538-G541 WeakPolarHBondContact O-CA 3.14Å; H538-G541 PolarHBondContact O-N 3.41Å; H538-G541 VanDerWaalsContact O-N 3.1Å; H538-H542 AromaticContact CD2-CD2 3.58Å; H538-H542 AromaticContact CD2-NE2 3.29Å; H538-H542 PolarHBondContact CD2-NE2 2.94Å; H538-H542 VanDerWaalsContact CD2-NE2 3.29Å; H538-H542 AromaticContact CE1-NE2 3.99Å; H538-H542 AromaticContact NE2-CD2 3.86Å; H538-H542 AromaticContact NE2-NE2 3.07Å; H538-H542 PolarHBondContact NE2-NE2 2.92Å; H538-H542 PolarHBondContact O-CD2 3.27Å; H538-H542 PolarHBondContact O-N 2.92Å; H538-G598 WeakPolarHBondContact O-CA 3.21Å; H538-E602 HydrophobicContact CB-CG 4.39Å; H538-E602 IonicContact CE1-OE1 2.79Å; H538-E602 IonicContact CG-OE1 3.91Å; H538-E602 IonicContact ND1-OE1 3.39Å; H538-E602 PolarHBondContact ND1-OE1 2.8Å; H538-D616 IonicContact NE2-OD2 2.7Å
539	E	92.8	Very high	92	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-40	179.2	-64.8	-54.5	150.3	0	0	112.6	I535 G541 H542 A543 I558 I560 G571 F572 S573 L702	I535-E539 HydrophobicContact CG2-CG 4.19Å; I535-E539 WeakPolarHBondContact O-CG 3.25Å; I535-E539 PolarHBondContact O-N 3.06Å; E539-G541 PolarHBondContact O-N 3.22Å; E539-H542 PolarHBondContact O-N 3.4Å; E539-A543 WeakPolarHBondContact O-CB 3.48Å; E539-A543 PolarHBondContact O-N 3.42Å; E539-I558 HydrophobicContact CB-CG2 3.72Å; E539-I560 HydrophobicContact CG-CG2 4.35Å; E539-G571 VanDerWaalsContact CD-C 3.47Å; E539-G571 WeakPolarHBondContact OE1-CA 3.31Å; E539-F572 WeakPolarHBondContact OE2-CA 3.45Å; E539-S573 PolarHBondContact OE2-N 2.91Å; E539-L702 HydrophobicContact CB-CD2 4.19Å
540	S	94.5	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-32.9	174.6	-57.1	0	0	0	0	111.4	A536 H538 A543 L544 T699	A536-S540 WeakPolarHBondContact O-CB 3.36Å; A536-S540 PolarHBondContact O-N 3.3Å; A536-S540 PolarHBondContact O-OG 3.38Å; H538-S540 PolarHBondContact O-N 3.2Å; S540-A543 PolarHBondContact O-N 2.69Å; S540-L544 WeakPolarHBondContact O-CB 3.26Å; S540-L544 PolarHBondContact O-N 3.41Å; S540-T699 WeakPolarHBondContact CB-OG1 3.31Å; S540-T699 PolarHBondContact OG-OG1 2.91Å
541	G	94.8	Very high	91.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-49.9	174.5	0	0	0	0	0	112.7	Y537 H538 E539 V545	Y537-G541 PolarHBondContact O-N 3.33Å; H538-G541 WeakPolarHBondContact O-CA 3.14Å; H538-G541 PolarHBondContact O-N 3.41Å; H538-G541 VanDerWaalsContact O-N 3.1Å; E539-G541 PolarHBondContact O-N 3.22Å; G541-V545 WeakPolarHBondContact O-CB 3.23Å; G541-V545 VanDerWaalsContact O-CG2 3.31Å; G541-V545 WeakPolarHBondContact O-CG2 3.45Å; G541-V545 PolarHBondContact O-N 3Å; G541-V545 VanDerWaalsContact O-N 3.13Å
542	H	93.1	Very high	91.6	Very high	11 Å²	11	24.8 Å²	24.8	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-49.1	173.9	-68.4	-71.9	0	0	0	111.8	H538 E539 G546 M594 A595 D616	H538-H542 AromaticContact CD2-CD2 3.58Å; H538-H542 AromaticContact CD2-NE2 3.29Å; H538-H542 PolarHBondContact CD2-NE2 2.94Å; H538-H542 VanDerWaalsContact CD2-NE2 3.29Å; H538-H542 AromaticContact CE1-NE2 3.99Å; H538-H542 AromaticContact NE2-CD2 3.86Å; H538-H542 AromaticContact NE2-NE2 3.07Å; H538-H542 PolarHBondContact NE2-NE2 2.92Å; H538-H542 PolarHBondContact O-CD2 3.27Å; H538-H542 PolarHBondContact O-N 2.92Å; E539-H542 PolarHBondContact O-N 3.4Å; H542-G546 PolarHBondContact O-N 3.04Å; H542-M594 PolarHBondContact ND1-O 3.48Å; H542-A595 PolarHBondContact CE1-O 3.28Å; H542-D616 IonicContact CE1-OD1 3.98Å; H542-D616 IonicContact CE1-OD2 3.58Å; H542-D616 PolarHBondContact CE1-OD2 2.91Å; H542-D616 VanDerWaalsContact CE1-OD2 3.29Å; H542-D616 IonicContact NE2-OD2 3.08Å; H542-D616 PolarHBondContact NE2-OD2 3.02Å
543	A	92.3	Very high	91.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-47.2	-177.5	0	0	0	0	0	112.5	E539 S540 G546 W547 L555 I558	E539-A543 WeakPolarHBondContact O-CB 3.48Å; E539-A543 PolarHBondContact O-N 3.42Å; S540-A543 PolarHBondContact O-N 2.69Å; A543-G546 CarbonylContact O-C 3.52Å; A543-G546 PolarHBondContact O-N 2.88Å; A543-W547 VanDerWaalsContact O-CB 3.31Å; A543-W547 WeakPolarHBondContact O-CB 3.48Å; A543-W547 PolarHBondContact O-N 3.47Å; A543-L555 HydrophobicContact CB-CD1 4.34Å; A543-L555 HydrophobicContact CB-CD2 3.54Å; A543-I558 HydrophobicContact CB-CD1 3.28Å; A543-I558 HydrophobicContact CB-CG1 3.83Å
544	L	93.8	Very high	90.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.3	-43.6	-176.6	-175.5	62.1	0	0	0	112	S540 G546 W547 M548 L688 K691 E694 L695 L698 I717	S540-L544 WeakPolarHBondContact O-CB 3.26Å; S540-L544 PolarHBondContact O-N 3.41Å; L544-G546 VanDerWaalsContact C-N 3.32Å; L544-W547 WeakPolarHBondContact O-CB 3.44Å; L544-W547 PolarHBondContact O-N 3.25Å; L544-M548 HydrophobicContact CD1-CE 3.62Å; L544-M548 HydrophobicContact CD1-CG 4.33Å; L544-M548 VanDerWaalsContact O-CG 3.27Å; L544-M548 WeakPolarHBondContact O-CG 3.39Å; L544-M548 PolarHBondContact O-N 3.33Å; L544-L688 HydrophobicContact CB-CD2 4.28Å; L544-L688 HydrophobicContact CD2-CD2 3.93Å; L544-L688 HydrophobicContact CG-CD2 4.37Å; L544-K691 HydrophobicContact CD2-CB 4Å; L544-K691 WeakPolarHBondContact CD2-O 3.2Å; L544-E694 HydrophobicContact CD1-CB 4.18Å; L544-E694 HydrophobicContact CD2-CB 4.49Å; L544-L695 HydrophobicContact CD2-CB 3.69Å; L544-L695 HydrophobicContact CD2-CD1 4.3Å; L544-L698 HydrophobicContact CB-CD1 4.26Å; L544-L698 HydrophobicContact CD1-CD1 4.22Å; L544-I717 HydrophobicContact CD1-CD1 4.25Å
545	V	94.4	Very high	90	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62	-45.5	174.3	175.3	0	0	0	0	109.8	G541 W547 M548 L549 A684 I687 L688	G541-V545 WeakPolarHBondContact O-CB 3.23Å; G541-V545 VanDerWaalsContact O-CG2 3.31Å; G541-V545 WeakPolarHBondContact O-CG2 3.45Å; G541-V545 PolarHBondContact O-N 3Å; G541-V545 VanDerWaalsContact O-N 3.13Å; V545-W547 VanDerWaalsContact C-N 3.31Å; V545-W547 PolarHBondContact O-N 3.18Å; V545-M548 PolarHBondContact O-N 3.39Å; V545-L549 HydrophobicContact CG1-CD1 3.62Å; V545-L549 HydrophobicContact CG1-CG 4.31Å; V545-L549 WeakPolarHBondContact O-CB 3.28Å; V545-L549 VanDerWaalsContact O-CG 3.24Å; V545-L549 WeakPolarHBondContact O-CG 3.24Å; V545-L549 PolarHBondContact O-N 2.8Å; V545-L549 VanDerWaalsContact O-N 3.15Å; V545-A684 HydrophobicContact CG1-CB 4.3Å; V545-A684 HydrophobicContact CG2-CB 4.22Å; V545-I687 HydrophobicContact CG1-CD1 4.39Å; V545-I687 HydrophobicContact CG2-CG2 4.42Å; V545-L688 HydrophobicContact CG2-CD1 4.1Å; V545-L688 HydrophobicContact CG2-CD2 3.79Å; V545-L688 HydrophobicContact CG2-CG 3.71Å
546	G	91.4	Very high	89.5	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-53.7	-47	171.6	0	0	0	0	0	111.7	H542 A543 L544 M548 T552 K725	H542-G546 PolarHBondContact O-N 3.04Å; A543-G546 CarbonylContact O-C 3.52Å; A543-G546 PolarHBondContact O-N 2.88Å; L544-G546 VanDerWaalsContact C-N 3.32Å; G546-M548 PolarHBondContact O-N 3.49Å; G546-T552 PolarHBondContact O-OG1 2.91Å; G546-K725 PolarHBondContact O-NZ 2.74Å
547	W	91.2	Very high	89.1	Confident	6 Å²	6	17.9 Å²	17.9	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-38.9	-177.8	-159.7	-104.8	0	0	0	113.8	A543 L544 V545 L555 Y710 I713 V714 I717 G718 P720	A543-W547 VanDerWaalsContact O-CB 3.31Å; A543-W547 WeakPolarHBondContact O-CB 3.48Å; A543-W547 PolarHBondContact O-N 3.47Å; L544-W547 WeakPolarHBondContact O-CB 3.44Å; L544-W547 PolarHBondContact O-N 3.25Å; V545-W547 VanDerWaalsContact C-N 3.31Å; V545-W547 PolarHBondContact O-N 3.18Å; W547-L555 HydrophobicContact CE3-CB 4.06Å; W547-L555 HydrophobicContact CE3-CD2 4.1Å; W547-L555 HydrophobicContact CZ3-CB 4.11Å; W547-L555 HydrophobicContact CZ3-CD2 4.38Å; W547-Y710 AromaticContact CH2-CD2 3.63Å; W547-Y710 HydrophobicContact CH2-CD2 3.63Å; W547-Y710 AromaticContact CH2-CE2 3.31Å; W547-Y710 HydrophobicContact CH2-CE2 3.31Å; W547-Y710 HydrophobicContact CZ2-CE2 4.44Å; W547-Y710 AromaticContact CZ3-CD2 3.7Å; W547-Y710 HydrophobicContact CZ3-CD2 3.7Å; W547-Y710 AromaticContact CZ3-CE2 3.59Å; W547-Y710 HydrophobicContact CZ3-CE2 3.59Å; W547-I713 HydrophobicContact CD2-CG2 4.32Å; W547-I713 HydrophobicContact CE3-CG2 4.15Å; W547-I713 HydrophobicContact CH2-CB 4.41Å; W547-I713 HydrophobicContact CH2-CG2 3.85Å; W547-I713 HydrophobicContact CZ2-CG2 4.03Å; W547-I713 HydrophobicContact CZ3-CG2 3.92Å; W547-V714 HydrophobicContact CH2-CG2 3.65Å; W547-V714 HydrophobicContact CZ2-CG2 3.77Å; W547-I717 HydrophobicContact CB-CD1 4.45Å; W547-I717 HydrophobicContact CD2-CD1 4.09Å; W547-I717 HydrophobicContact CG-CD1 3.77Å; W547-G718 WeakPolarHBondContact CZ2-O 3.36Å; W547-G718 PolarHBondContact NE1-O 3.39Å; W547-P720 HydrophobicContact CD2-CB 4.26Å; W547-P720 HydrophobicContact CZ2-CB 4.35Å; W547-P720 HydrophobicContact CZ2-CG 4.38Å
548	M	91.4	Very high	88.8	Confident	32 Å²	32	16.4 Å²	16.4	16%	0.158	8%	0.078	C	C	.	.	H	α-helix	trans	-84.1	-23	-174.5	-63.9	-65.1	167.2	0	0	113.5	L544 V545 G546 I687 K691 A721 H722	L544-M548 HydrophobicContact CD1-CE 3.62Å; L544-M548 HydrophobicContact CD1-CG 4.33Å; L544-M548 VanDerWaalsContact O-CG 3.27Å; L544-M548 WeakPolarHBondContact O-CG 3.39Å; L544-M548 PolarHBondContact O-N 3.33Å; V545-M548 PolarHBondContact O-N 3.39Å; G546-M548 PolarHBondContact O-N 3.49Å; M548-I687 HydrophobicContact CB-CD1 4.32Å; M548-I687 HydrophobicContact CB-CG2 3.69Å; M548-I687 HydrophobicContact CG-CG2 3.78Å; M548-K691 HydrophobicContact CE-CB 4.49Å; M548-K691 HydrophobicContact CE-CD 3.91Å; M548-K691 HydrophobicContact CE-CG 3.91Å; M548-K691 HydrophobicContact SD-CG 4.28Å; M548-A721 HydrophobicContact SD-CB 4.2Å; M548-H722 PolarHBondContact O-CD2 3.13Å
549	L	91.9	Very high	88.5	Confident	10 Å²	10	16.3 Å²	16.3	5%	0.052	8%	0.078	C	C	.	.			trans	-77.1	155.4	178.1	-75.8	174.2	0	0	0	112.5	V545 T552 E590 L683 I687 K725	V545-L549 HydrophobicContact CG1-CD1 3.62Å; V545-L549 HydrophobicContact CG1-CG 4.31Å; V545-L549 WeakPolarHBondContact O-CB 3.28Å; V545-L549 VanDerWaalsContact O-CG 3.24Å; V545-L549 WeakPolarHBondContact O-CG 3.24Å; V545-L549 PolarHBondContact O-N 2.8Å; V545-L549 VanDerWaalsContact O-N 3.15Å; L549-T552 HydrophobicContact CB-CG2 3.58Å; L549-T552 HydrophobicContact CD1-CG2 3.76Å; L549-T552 HydrophobicContact CG-CG2 4.33Å; L549-E590 HydrophobicContact CD1-CB 4Å; L549-E590 HydrophobicContact CD1-CG 4.32Å; L549-E590 WeakPolarHBondContact CD1-O 3.32Å; L549-E590 HydrophobicContact CD2-CB 4.34Å; L549-E590 HydrophobicContact CD2-CG 3.73Å; L549-E590 HydrophobicContact CG-CG 4.41Å; L549-L683 HydrophobicContact CD1-CD2 4.44Å; L549-L683 HydrophobicContact CD2-CD2 3.58Å; L549-L683 HydrophobicContact CG-CD2 4.41Å; L549-I687 HydrophobicContact CD2-CD1 3.8Å; L549-I687 HydrophobicContact CG-CD1 3.92Å; L549-K725 WeakPolarHBondContact O-CE 3.5Å; L549-K725 PolarHBondContact O-NZ 3.4Å
550	K	87.3	Confident	88.2	Confident	120 Å²	120	16.1 Å²	16.1	52%	0.522	8%	0.077	S	C	.	.	S	Bend	trans	-87.2	-45.8	-173	-179.7	-179.6	169.8	-165.3	0	112.8	E590 H722	K550-E590 PolarHBondContact N-OE2 3.38Å; K550-E590 VanDerWaalsContact N-OE2 3.07Å; K550-H722 HydrophobicContact CB-CB 4.35Å; K550-H722 HydrophobicContact CG-CB 4.22Å
551	H	85.9	Confident	87.7	Confident	58 Å²	58	17.5 Å²	17.5	27%	0.269	9%	0.085	S	C	.	.	S	Bend	trans	-101.3	23.2	-172.4	-60.2	-82.9	0	0	0	113.2	E587 E590	H551-E587 HydrophobicContact CB-CB 3.92Å; H551-E587 HydrophobicContact CB-CG 3.61Å; H551-E587 IonicContact CG-OE1 3.98Å; H551-E587 IonicContact ND1-OE1 3.34Å; H551-E587 PolarHBondContact ND1-OE1 2.93Å; H551-E587 VanDerWaalsContact ND1-OE1 3.14Å; H551-E590 VanDerWaalsContact CA-OE2 3.29Å; H551-E590 WeakPolarHBondContact CA-OE2 3.36Å; H551-E590 VanDerWaalsContact CB-OE2 3.29Å; H551-E590 WeakPolarHBondContact CB-OE2 3.47Å; H551-E590 IonicContact CD2-OE1 3.17Å; H551-E590 IonicContact CD2-OE2 3.53Å; H551-E590 IonicContact CG-OE2 3.11Å; H551-E590 PolarHBondContact N-OE2 3.41Å
552	T	82.4	Confident	87	Confident	8 Å²	8	18.4 Å²	18.4	5%	0.049	9%	0.091	C	C	.	.	S	Bend	trans	-94.3	157.3	169	52.7	0	0	0	0	110.6	G546 L549 E590 M594 K725	G546-T552 PolarHBondContact O-OG1 2.91Å; L549-T552 HydrophobicContact CB-CG2 3.58Å; L549-T552 HydrophobicContact CD1-CG2 3.76Å; L549-T552 HydrophobicContact CG-CG2 4.33Å; T552-E590 HydrophobicContact CG2-CB 4.18Å; T552-M594 HydrophobicContact CG2-CB 4.14Å; T552-M594 HydrophobicContact CG2-SD 4.03Å; T552-K725 WeakPolarHBondContact O-CD 3.38Å; T552-K725 PolarHBondContact OG1-NZ 2.9Å
553	N	81.1	Confident	86.3	Confident	32 Å²	32	18 Å²	18	17%	0.171	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-67.4	153.4	178.5	-71.8	5.1	0	0	0	111.4	L555 H575 A576 T578	N553-L555 PolarHBondContact O-N 3.36Å; N553-H575 HydrophobicContact CB-CB 3.78Å; N553-A576 WeakPolarHBondContact CB-O 3.4Å; N553-A576 PolarHBondContact ND2-O 2.65Å; N553-A576 VanDerWaalsContact ND2-O 3.11Å; N553-T578 PolarHBondContact OD1-OG1 2.82Å
554	A	75.8	Confident	85.4	Confident	5 Å²	5	22 Å²	22	4%	0.041	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-63.6	128.9	175.9	0	0	0	0	0	110.5	L556 H575 A576 K725 L727	A554-L556 PolarHBondContact O-N 2.9Å; A554-H575 CarbonylContact O-C 3.47Å; A554-H575 VanDerWaalsContact O-CA 3.24Å; A554-H575 WeakPolarHBondContact O-CA 3.38Å; A554-A576 HydrophobicContact CB-CB 4.02Å; A554-A576 PolarHBondContact O-N 3.48Å; A554-K725 HydrophobicContact CB-CB 3.83Å; A554-L727 HydrophobicContact CB-CD2 3.89Å
555	L	83.3	Confident	84	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124	174.1	177.8	67.6	0	0	0	109.1	A543 W547 N553 I558 Y710 I713	A543-L555 HydrophobicContact CB-CD1 4.34Å; A543-L555 HydrophobicContact CB-CD2 3.54Å; W547-L555 HydrophobicContact CE3-CB 4.06Å; W547-L555 HydrophobicContact CE3-CD2 4.1Å; W547-L555 HydrophobicContact CZ3-CB 4.11Å; W547-L555 HydrophobicContact CZ3-CD2 4.38Å; N553-L555 PolarHBondContact O-N 3.36Å; L555-I558 HydrophobicContact CD1-CG1 4Å; L555-I558 HydrophobicContact CD2-CD1 3.98Å; L555-I558 HydrophobicContact CD2-CG1 3.99Å; L555-I558 HydrophobicContact CG-CG1 4.32Å; L555-Y710 WeakPolarHBondContact O-CD2 3.47Å; L555-I713 HydrophobicContact CD2-CD1 3.68Å; L555-I713 HydrophobicContact CG-CD1 4.18Å
556	L	80.1	Confident	82.3	Confident	10 Å²	10	30 Å²	30	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-44.3	-176.9	-62.5	178.2	0	0	0	112.2	R476 A554 Q574 A576 Y710 L727	R476-L556 HydrophobicContact CG-CD1 3.95Å; A554-L556 PolarHBondContact O-N 2.9Å; L556-Q574 HydrophobicContact CB-CB 4.25Å; L556-Q574 PolarHBondContact N-O 3.3Å; L556-A576 HydrophobicContact CD1-CB 4.09Å; L556-A576 HydrophobicContact CD2-CB 4.1Å; L556-A576 HydrophobicContact CG-CB 4.11Å; L556-Y710 PolarHBondContact O-N 3.17Å; L556-L727 HydrophobicContact CD2-CD2 4.11Å
557	K	85.2	Confident	80.5	Confident	32 Å²	32	37.8 Å²	37.8	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	141.9	-176.5	-171.5	172.7	-177.2	174.2	0	110.9	E514 Q574 L708	E514-K557 WeakPolarHBondContact OE1-CD 3.4Å; E514-K557 WeakPolarHBondContact OE1-CE 3.49Å; E514-K557 IonicContact OE1-NZ 2.75Å; E514-K557 PolarHBondContact OE1-NZ 3.45Å; E514-K557 IonicContact OE2-NZ 3.13Å; K557-Q574 HydrophobicContact CB-CB 4.42Å; K557-Q574 PolarHBondContact N-O 2.88Å; K557-Q574 PolarHBondContact O-N 3.4Å; K557-L708 CarbonylContact C-O 3.54Å; K557-L708 VanDerWaalsContact CA-O 3.31Å; K557-L708 WeakPolarHBondContact CA-O 3.44Å; K557-L708 WeakPolarHBondContact CG-O 3.33Å
558	I	88.4	Confident	78.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.4	169	-48.7	165.1	0	0	0	107.8	E539 A543 L555 L702 S707 L708 I713	E539-I558 HydrophobicContact CB-CG2 3.72Å; A543-I558 HydrophobicContact CB-CD1 3.28Å; A543-I558 HydrophobicContact CB-CG1 3.83Å; L555-I558 HydrophobicContact CD1-CG1 4Å; L555-I558 HydrophobicContact CD2-CD1 3.98Å; L555-I558 HydrophobicContact CD2-CG1 3.99Å; L555-I558 HydrophobicContact CG-CG1 4.32Å; I558-L702 HydrophobicContact CB-CD1 4.24Å; I558-L702 HydrophobicContact CG2-CD1 3.95Å; I558-L702 HydrophobicContact CG2-CD2 3.68Å; I558-L702 HydrophobicContact CG2-CG 4.5Å; I558-S707 CarbonylContact O-C 3.58Å; I558-S707 WeakPolarHBondContact O-CA 3.42Å; I558-S707 WeakPolarHBondContact O-CB 3.44Å; I558-L708 PolarHBondContact N-O 3.36Å; I558-L708 PolarHBondContact O-N 3.42Å; I558-I713 HydrophobicContact CD1-CD1 3.71Å; I558-I713 HydrophobicContact CD1-CG1 4.31Å; I558-I713 HydrophobicContact CG1-CD1 3.97Å
559	S	87.8	Confident	76.9	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.7	174.2	-179	0	0	0	0	111.4	V561 G571 F572 E706	S559-V561 WeakPolarHBondContact OG-CG2 3.41Å; S559-V561 PolarHBondContact OG-N 2.94Å; S559-G571 CarbonylContact O-C 3.45Å; S559-G571 WeakPolarHBondContact O-CA 3.47Å; S559-F572 PolarHBondContact N-O 3.09Å; S559-F572 PolarHBondContact O-N 3.11Å; S559-E706 WeakPolarHBondContact CA-O 3.49Å
560	I	86.8	Confident	75.5	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.036	21%	0.21	C	C	.	.			trans	-107	11.5	173.6	58.6	173.3	0	0	0	112.5	K532 I535 A536 E539 L702 L703 E706	K532-I560 HydrophobicContact CD-CD1 4.23Å; K532-I560 HydrophobicContact CG-CD1 3.83Å; I535-I560 HydrophobicContact CG2-CB 4.23Å; I535-I560 HydrophobicContact CG2-CG2 4.03Å; A536-I560 HydrophobicContact CB-CD1 4.41Å; A536-I560 HydrophobicContact CB-CG2 4.08Å; E539-I560 HydrophobicContact CG-CG2 4.35Å; I560-L702 HydrophobicContact CD1-CG 4.44Å; I560-L702 WeakPolarHBondContact CD1-O 3.31Å; I560-L702 HydrophobicContact CG1-CG 4.44Å; I560-L702 HydrophobicContact CG2-CD1 4.25Å; I560-L702 HydrophobicContact CG2-CD2 3.58Å; I560-L702 HydrophobicContact CG2-CG 3.7Å; I560-L703 HydrophobicContact CD1-CD2 4.09Å; I560-E706 HydrophobicContact CG1-CB 4.21Å; I560-E706 VanDerWaalsContact CG1-O 3.31Å; I560-E706 WeakPolarHBondContact CG1-O 3.13Å; I560-E706 PolarHBondContact N-O 2.69Å
561	V	84.2	Confident	74.2	Confident	29 Å²	29	35 Å²	35	18%	0.176	19%	0.188	C	C	.	.			trans	-77	125	-178.4	-179.7	0	0	0	0	110.4	E521 S559 E706	E521-V561 HydrophobicContact CG-CG1 4.18Å; S559-V561 WeakPolarHBondContact OG-CG2 3.41Å; S559-V561 PolarHBondContact OG-N 2.94Å; V561-E706 HydrophobicContact CG2-CB 4.05Å
562	P	80.2	Confident	73.7	Confident	19 Å²	19	33.1 Å²	33.1	12%	0.123	18%	0.179	C	C	.	.			trans	-69.8	135.8	-178.3	27.6	-34.7	0	0	0	112.5	R522 V527 G569	R522-P562 PolarHBondContact N-O 2.92Å; V527-P562 HydrophobicContact CG2-CG 4.28Å; P562-G569 WeakPolarHBondContact CB-O 3.5Å
563	R	78.5	Confident	72.8	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-125.2	167.5	-179.7	-64.7	-174.9	174.7	-82.2	-10.9	113.2	E514 S518 G519 A520 E521	E514-R563 IonicContact OE2-CZ 3.24Å; E514-R563 IonicContact OE2-NH2 2.64Å; E514-R563 PolarHBondContact OE2-NH2 2.94Å; S518-R563 WeakPolarHBondContact O-CB 3.44Å; G519-R563 PolarHBondContact O-NH1 2.69Å; A520-R563 CarbonylContact O-C 3.59Å; A520-R563 WeakPolarHBondContact O-CA 3.36Å; E521-R563 HydrophobicContact CG-CG 4.48Å; E521-R563 IonicContact OE1-CZ 3.38Å; E521-R563 IonicContact OE1-NH1 3.78Å; E521-R563 IonicContact OE1-NH2 3.29Å; E521-R563 PolarHBondContact OE1-NH2 3.32Å
564	T	71.8	Confident	72.1	Confident	85 Å²	85	33.8 Å²	33.8	52%	0.521	18%	0.184	S	C	.	.	S	Bend	trans	-75.6	-36.3	-172.1	-10.8	0	0	0	0	114.7	A520 N566	A520-T564 WeakPolarHBondContact CA-OG1 3.24Å; A520-T564 PolarHBondContact N-OG1 3.29Å; A520-T564 VanDerWaalsContact N-OG1 3.08Å; A520-T564 PolarHBondContact O-N 3.49Å; A520-T564 PolarHBondContact O-OG1 2.84Å; T564-N566 VanDerWaalsContact C-N 3.35Å
565	K	64.4	Low	71.6	Confident	130 Å²	130	35 Å²	35	57%	0.565	19%	0.189	S	C	*	.	S	Bend	trans	-76.2	-26.1	-177.9	-67.7	-178.4	177.3	177.8	0	112.2	T516 S518 I567	T516-K565 PolarHBondContact O-NZ 3.16Å; S518-K565 VanDerWaalsContact O-CB 3.32Å; S518-K565 WeakPolarHBondContact O-CB 3.38Å; S518-K565 PolarHBondContact O-N 3.15Å; K565-I567 PolarHBondContact O-N 3.04Å
566	N	59.4	Low	70.5	Confident	40 Å²	40	35.2 Å²	35.2	21%	0.214	19%	0.191	C	C	.	.			trans	-74.7	95.4	173.1	-64.5	3.2	0	0	0	107.5	T564 T568 G569 M570	T564-N566 VanDerWaalsContact C-N 3.35Å; N566-T568 PolarHBondContact O-N 3.43Å; N566-G569 PolarHBondContact O-N 3Å; N566-M570 PolarHBondContact ND2-O 3.42Å
567	I	52.9	Low	69.7	Low	163 Å²	163	40 Å²	40	84%	0.836	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-32.4	-179.2	-66.3	171	0	0	0	111.1	K565	K565-I567 PolarHBondContact O-N 3.04Å
568	T	54.3	Low	68.6	Low	63 Å²	63	40.4 Å²	40.4	39%	0.387	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.9	-178.8	49.7	0	0	0	0	114.9	N566 M570	N566-T568 PolarHBondContact O-N 3.43Å; T568-M570 HydrophobicContact CG2-CE 4.03Å; T568-M570 PolarHBondContact O-N 3.43Å; T568-M570 WeakPolarHBondContact OG1-CE 3.02Å
569	G	53.1	Low	67.2	Low	13 Å²	13	43.5 Å²	43.5	13%	0.134	23%	0.231	C	C	.	.			trans	66.4	14.1	179.8	0	0	0	0	0	115	P562 N566	P562-G569 WeakPolarHBondContact CB-O 3.5Å; N566-G569 PolarHBondContact O-N 3Å
570	M	62.4	Low	66.4	Low	27 Å²	27	48.4 Å²	48.4	13%	0.133	25%	0.252	C	S	.	.			trans	-75.1	162.4	-177.8	-65.3	-170.7	-73.4	0	0	113.2	N566 T568 G612	N566-M570 PolarHBondContact ND2-O 3.42Å; T568-M570 HydrophobicContact CG2-CE 4.03Å; T568-M570 PolarHBondContact O-N 3.43Å; T568-M570 WeakPolarHBondContact OG1-CE 3.02Å; M570-G612 WeakPolarHBondContact CE-O 3.46Å; M570-G612 WeakPolarHBondContact SD-CA 3.41Å
571	G	61.3	Low	65.5	Low	6 Å²	6	59.2 Å²	59.2	6%	0.062	29%	0.292	C	S	.	.			trans	-63.3	-173.7	170.5	0	0	0	0	0	113.1	E539 S559	E539-G571 VanDerWaalsContact CD-C 3.47Å; E539-G571 WeakPolarHBondContact OE1-CA 3.31Å; S559-G571 CarbonylContact O-C 3.45Å; S559-G571 WeakPolarHBondContact O-CA 3.47Å
572	F	73.8	Confident	65.5	Low	19 Å²	19	65.2 Å²	65.2	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.7	174.1	65.9	-94.1	0	0	0	111.6	E514 E539 S559 Q574	E514-F572 HydrophobicContact CG-CZ 4.5Å; E539-F572 WeakPolarHBondContact OE2-CA 3.45Å; S559-F572 PolarHBondContact N-O 3.09Å; S559-F572 PolarHBondContact O-N 3.11Å; F572-Q574 HydrophobicContact CD2-CG 3.72Å; F572-Q574 HydrophobicContact CE2-CG 3.66Å
573	S	64.5	Low	65.8	Low	29 Å²	29	66.9 Å²	66.9	20%	0.203	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.1	166.9	50.6	0	0	0	0	110.4	E539 H575	E539-S573 PolarHBondContact OE2-N 2.91Å; S573-H575 PolarHBondContact O-N 3.23Å; S573-H575 PolarHBondContact O-ND1 3.5Å; S573-H575 VanDerWaalsContact O-ND1 3.14Å; S573-H575 PolarHBondContact OG-CE1 3.17Å
574	Q	65.6	Low	66.4	Low	25 Å²	25	69.3 Å²	69.3	12%	0.117	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.6	174.1	-79	176.8	32.4	0	0	109.6	L517 L556 K557 F572	L517-Q574 HydrophobicContact CD2-CG 4.27Å; L556-Q574 HydrophobicContact CB-CB 4.25Å; L556-Q574 PolarHBondContact N-O 3.3Å; K557-Q574 HydrophobicContact CB-CB 4.42Å; K557-Q574 PolarHBondContact N-O 2.88Å; K557-Q574 PolarHBondContact O-N 3.4Å; F572-Q574 HydrophobicContact CD2-CG 3.72Å; F572-Q574 HydrophobicContact CE2-CG 3.66Å
575	H	66	Low	67.2	Low	32 Å²	32	69 Å²	69	15%	0.148	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.7	171.7	-62.6	82.1	0	0	0	109.5	N553 A554 S573 K577 M594	N553-H575 HydrophobicContact CB-CB 3.78Å; A554-H575 CarbonylContact O-C 3.47Å; A554-H575 VanDerWaalsContact O-CA 3.24Å; A554-H575 WeakPolarHBondContact O-CA 3.38Å; S573-H575 PolarHBondContact O-N 3.23Å; S573-H575 PolarHBondContact O-ND1 3.5Å; S573-H575 VanDerWaalsContact O-ND1 3.14Å; S573-H575 PolarHBondContact OG-CE1 3.17Å; H575-K577 PolarHBondContact O-N 3.38Å; H575-K577 VanDerWaalsContact O-N 3.07Å; H575-M594 PolarHBondContact NE2-SD 2.67Å; H575-M594 VanDerWaalsContact NE2-SD 3.44Å
576	A	59.6	Low	68.5	Low	6 Å²	6	67.5 Å²	67.5	5%	0.05	34%	0.337	C	S	.	.			trans	-59.5	110.4	172	0	0	0	0	0	108.6	N553 A554 L556 T578	N553-A576 WeakPolarHBondContact CB-O 3.4Å; N553-A576 PolarHBondContact ND2-O 2.65Å; N553-A576 VanDerWaalsContact ND2-O 3.11Å; A554-A576 HydrophobicContact CB-CB 4.02Å; A554-A576 PolarHBondContact O-N 3.48Å; L556-A576 HydrophobicContact CD1-CB 4.09Å; L556-A576 HydrophobicContact CD2-CB 4.1Å; L556-A576 HydrophobicContact CG-CB 4.11Å; A576-T578 PolarHBondContact O-N 3.25Å
577	K	63.3	Low	70	Confident	110 Å²	110	67 Å²	67	48%	0.478	33%	0.333	S	S	.	.			trans	-78.6	116.7	179.6	-31.3	-176.2	-171.9	162.2	0	108.6	P478 H575	P478-K577 HydrophobicContact CB-CB 4.12Å; P478-K577 HydrophobicContact CG-CB 3.39Å; P478-K577 HydrophobicContact CG-CD 3.8Å; P478-K577 HydrophobicContact CG-CG 3.56Å; H575-K577 PolarHBondContact O-N 3.38Å; H575-K577 VanDerWaalsContact O-N 3.07Å
578	T	62.4	Low	71.9	Confident	41 Å²	41	59.6 Å²	59.6	25%	0.252	30%	0.295	S	S	.	.			trans	-73.2	134.7	170.4	-38.3	0	0	0	0	109.8	N553 A576 K580 N729	N553-T578 PolarHBondContact OD1-OG1 2.82Å; A576-T578 PolarHBondContact O-N 3.25Å; T578-K580 HydrophobicContact CG2-CB 4.19Å; T578-K580 HydrophobicContact CG2-CD 3.65Å; T578-K580 HydrophobicContact CG2-CG 3.56Å; T578-K580 PolarHBondContact O-N 2.95Å; T578-N729 VanDerWaalsContact CG2-OD1 3.26Å; T578-N729 WeakPolarHBondContact CG2-OD1 3.02Å
579	E	59.9	Low	73.8	Confident	65 Å²	65	58.4 Å²	58.4	30%	0.304	29%	0.286	S	S	.	.			trans	-77.8	37	173	-62.5	-171.2	165.9	0	0	111.8	R450 P478 W581	R450-E579 IonicContact CZ-OE1 2.78Å; R450-E579 IonicContact NH1-OE1 3.15Å; R450-E579 PolarHBondContact NH1-OE1 3.46Å; R450-E579 IonicContact NH2-OE1 2.8Å; R450-E579 PolarHBondContact NH2-OE1 2.96Å; P478-E579 HydrophobicContact CB-CG 4.25Å; E579-W581 PolarHBondContact O-N 3.07Å
580	K	69.2	Low	75.7	Confident	107 Å²	107	59.1 Å²	59.1	47%	0.465	29%	0.286	S	S	.	.			trans	-78.5	118.6	177.3	-81.6	172.7	-173.5	171.3	0	109.5	T578 E726	T578-K580 HydrophobicContact CG2-CB 4.19Å; T578-K580 HydrophobicContact CG2-CD 3.65Å; T578-K580 HydrophobicContact CG2-CG 3.56Å; T578-K580 PolarHBondContact O-N 2.95Å; K580-E726 IonicContact NZ-OE2 3.9Å
581	W	69.7	Low	77.1	Confident	233 Å²	233	60 Å²	60	88%	0.883	29%	0.289	S	S	*	.	S	Bend	trans	-78.9	-27.1	176.9	-69.4	51.6	0	0	0	111.9	E579	E579-W581 PolarHBondContact O-N 3.07Å
582	L	83.3	Confident	78.7	Confident	155 Å²	155	59.7 Å²	59.7	81%	0.812	29%	0.286	S	S	*	.			trans	-104.9	128.5	-179.7	-58.2	175.6	0	0	0	109.3
583	L	87.2	Confident	79.8	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.288	28%	0.282	S	S	.	.			trans	-126.4	134.3	175.9	-63.6	173	0	0	0	109.4	E587 L588 K591	L583-E587 WeakPolarHBondContact CA-OE2 3.14Å; L583-E587 WeakPolarHBondContact CD2-OE2 3.22Å; L583-L588 HydrophobicContact CB-CD1 4.41Å; L583-L588 HydrophobicContact CB-CD2 4.14Å; L583-L588 HydrophobicContact CB-CG 4.02Å; L583-L588 HydrophobicContact CD1-CD2 3.73Å; L583-K591 HydrophobicContact CD1-CD 4.47Å; L583-K591 VanDerWaalsContact CD2-NZ 3.26Å
584	S	90.1	Very high	81.2	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	28%	0.28	S	S	.	.			trans	-77.5	164.2	175.5	105.4	0	0	0	0	111.6	D586 E587 L588	S584-D586 PolarHBondContact O-N 3.25Å; S584-D586 PolarHBondContact OG-N 2.84Å; S584-D586 VanDerWaalsContact OG-N 3.15Å; S584-E587 PolarHBondContact N-OE2 3.47Å; S584-E587 PolarHBondContact O-N 3.41Å; S584-E587 WeakPolarHBondContact OG-CG 3.33Å; S584-E587 PolarHBondContact OG-N 3.14Å; S584-L588 WeakPolarHBondContact O-CG 3.47Å; S584-L588 PolarHBondContact O-N 3.32Å
585	K	90.1	Very high	82.5	Confident	79 Å²	79	58.3 Å²	58.3	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-57	-40.5	174.2	-175.6	179.1	178.1	179.1	0	111.4	L588 L589 M627 M633 E635	K585-L588 PolarHBondContact O-N 2.87Å; K585-L589 PolarHBondContact O-N 2.94Å; K585-M627 HydrophobicContact CG-CE 4.1Å; K585-M633 HydrophobicContact CB-SD 4.27Å; K585-E635 IonicContact NZ-OE1 3.58Å; K585-E635 PolarHBondContact NZ-OE1 3.25Å; K585-E635 VanDerWaalsContact NZ-OE1 3.11Å
586	D	91.5	Very high	83.9	Confident	98 Å²	98	56.9 Å²	56.9	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-69.9	-41.1	179.5	-61.2	-27.8	0	0	0	111.1	S584 L588 L589 E590	S584-D586 PolarHBondContact O-N 3.25Å; S584-D586 PolarHBondContact OG-N 2.84Å; S584-D586 VanDerWaalsContact OG-N 3.15Å; D586-L588 VanDerWaalsContact C-N 3.3Å; D586-L588 PolarHBondContact O-N 3.2Å; D586-L589 PolarHBondContact O-N 3.39Å; D586-E590 WeakPolarHBondContact O-CG 3.19Å; D586-E590 PolarHBondContact O-N 2.92Å
587	E	90.6	Very high	85.6	Confident	30 Å²	30	56.6 Å²	56.6	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.5	-49.1	-166.6	134.6	0	0	111.8	H551 L583 S584 E590 K591	H551-E587 HydrophobicContact CB-CB 3.92Å; H551-E587 HydrophobicContact CB-CG 3.61Å; H551-E587 IonicContact CG-OE1 3.98Å; H551-E587 IonicContact ND1-OE1 3.34Å; H551-E587 PolarHBondContact ND1-OE1 2.93Å; H551-E587 VanDerWaalsContact ND1-OE1 3.14Å; L583-E587 WeakPolarHBondContact CA-OE2 3.14Å; L583-E587 WeakPolarHBondContact CD2-OE2 3.22Å; S584-E587 PolarHBondContact N-OE2 3.47Å; S584-E587 PolarHBondContact O-N 3.41Å; S584-E587 WeakPolarHBondContact OG-CG 3.33Å; S584-E587 PolarHBondContact OG-N 3.14Å; E587-E590 PolarHBondContact O-N 2.95Å; E587-K591 WeakPolarHBondContact O-CB 3.48Å; E587-K591 VanDerWaalsContact O-CG 3.31Å; E587-K591 WeakPolarHBondContact O-CG 3.29Å; E587-K591 PolarHBondContact O-N 3.29Å
588	L	91.8	Very high	87	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-40.7	175.1	-69.8	167.7	0	0	0	111.6	L583 S584 K585 D586 E590 K591 M592 M623 M627 F631 M633	L583-L588 HydrophobicContact CB-CD1 4.41Å; L583-L588 HydrophobicContact CB-CD2 4.14Å; L583-L588 HydrophobicContact CB-CG 4.02Å; L583-L588 HydrophobicContact CD1-CD2 3.73Å; S584-L588 WeakPolarHBondContact O-CG 3.47Å; S584-L588 PolarHBondContact O-N 3.32Å; K585-L588 PolarHBondContact O-N 2.87Å; D586-L588 VanDerWaalsContact C-N 3.3Å; D586-L588 PolarHBondContact O-N 3.2Å; L588-E590 VanDerWaalsContact C-N 3.33Å; L588-E590 PolarHBondContact O-N 3.43Å; L588-K591 PolarHBondContact O-N 3.08Å; L588-M592 VanDerWaalsContact O-CG 3.32Å; L588-M592 WeakPolarHBondContact O-CG 2.99Å; L588-M592 PolarHBondContact O-N 2.95Å; L588-M623 HydrophobicContact CB-SD 4.41Å; L588-M623 HydrophobicContact CD2-CG 4.06Å; L588-M623 HydrophobicContact CD2-SD 3.82Å; L588-M627 HydrophobicContact CB-CE 3.76Å; L588-M627 HydrophobicContact CB-CG 4.3Å; L588-M627 HydrophobicContact CB-SD 3.55Å; L588-M627 VanDerWaalsContact CB-SD 3.55Å; L588-M627 HydrophobicContact CD1-CE 4.29Å; L588-M627 HydrophobicContact CD1-CG 3.71Å; L588-M627 HydrophobicContact CD1-SD 4.09Å; L588-M627 HydrophobicContact CG-SD 4.37Å; L588-F631 HydrophobicContact CD1-CD2 4.14Å; L588-F631 HydrophobicContact CD1-CE2 4.22Å; L588-M633 HydrophobicContact CD1-CE 3.78Å; L588-M633 HydrophobicContact CD1-SD 3.61Å
589	L	93.9	Very high	88.5	Confident	38 Å²	38	53.1 Å²	53.1	20%	0.199	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-41.8	175.1	-175.4	71.4	0	0	0	111.6	K585 D586 M592 S593 L676 K679 A680	K585-L589 PolarHBondContact O-N 2.94Å; D586-L589 PolarHBondContact O-N 3.39Å; L589-M592 PolarHBondContact O-N 2.84Å; L589-S593 WeakPolarHBondContact O-CB 3.29Å; L589-S593 PolarHBondContact O-N 2.74Å; L589-S593 PolarHBondContact O-OG 3.09Å; L589-L676 HydrophobicContact CD1-CD1 3.82Å; L589-L676 HydrophobicContact CD1-CG 4.48Å; L589-K679 HydrophobicContact CD1-CB 4.45Å; L589-A680 HydrophobicContact CD1-CB 3.99Å
590	E	94.2	Very high	90.3	Very high	28 Å²	28	50 Å²	50	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-40.3	176.1	-73.1	-167.3	-170.8	0	0	112.1	L549 K550 H551 T552 D586 E587 L588 M592 S593 M594	L549-E590 HydrophobicContact CD1-CB 4Å; L549-E590 HydrophobicContact CD1-CG 4.32Å; L549-E590 WeakPolarHBondContact CD1-O 3.32Å; L549-E590 HydrophobicContact CD2-CB 4.34Å; L549-E590 HydrophobicContact CD2-CG 3.73Å; L549-E590 HydrophobicContact CG-CG 4.41Å; K550-E590 PolarHBondContact N-OE2 3.38Å; K550-E590 VanDerWaalsContact N-OE2 3.07Å; H551-E590 VanDerWaalsContact CA-OE2 3.29Å; H551-E590 WeakPolarHBondContact CA-OE2 3.36Å; H551-E590 VanDerWaalsContact CB-OE2 3.29Å; H551-E590 WeakPolarHBondContact CB-OE2 3.47Å; H551-E590 IonicContact CD2-OE1 3.17Å; H551-E590 IonicContact CD2-OE2 3.53Å; H551-E590 IonicContact CG-OE2 3.11Å; H551-E590 PolarHBondContact N-OE2 3.41Å; T552-E590 HydrophobicContact CG2-CB 4.18Å; D586-E590 WeakPolarHBondContact O-CG 3.19Å; D586-E590 PolarHBondContact O-N 2.92Å; E587-E590 PolarHBondContact O-N 2.95Å; L588-E590 VanDerWaalsContact C-N 3.33Å; L588-E590 PolarHBondContact O-N 3.43Å; E590-M592 VanDerWaalsContact C-N 3.34Å; E590-M592 PolarHBondContact O-N 3.44Å; E590-S593 WeakPolarHBondContact O-CB 3.4Å; E590-S593 PolarHBondContact O-N 3.07Å; E590-S593 VanDerWaalsContact O-N 3.16Å; E590-M594 WeakPolarHBondContact O-CB 3.46Å; E590-M594 PolarHBondContact O-N 3.29Å
591	K	91.9	Very high	91.6	Very high	46 Å²	46	45 Å²	45	20%	0.2	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-41.5	172	-78.3	178.6	177.5	-178.7	0	112.3	L583 E587 L588 S593 A595 M623	L583-K591 HydrophobicContact CD1-CD 4.47Å; L583-K591 VanDerWaalsContact CD2-NZ 3.26Å; E587-K591 WeakPolarHBondContact O-CB 3.48Å; E587-K591 VanDerWaalsContact O-CG 3.31Å; E587-K591 WeakPolarHBondContact O-CG 3.29Å; E587-K591 PolarHBondContact O-N 3.29Å; L588-K591 PolarHBondContact O-N 3.08Å; K591-S593 VanDerWaalsContact C-N 3.34Å; K591-A595 PolarHBondContact O-N 3.42Å; K591-A595 VanDerWaalsContact O-N 3.11Å; K591-M623 HydrophobicContact CB-CE 4.13Å; K591-M623 HydrophobicContact CB-SD 3.98Å
592	M	94.6	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-41.6	173.2	-70.1	173.2	64.9	0	0	111.5	L588 L589 E590 A595 L596 V620 M623 A624 M627 L676 I677 A680	L588-M592 VanDerWaalsContact O-CG 3.32Å; L588-M592 WeakPolarHBondContact O-CG 2.99Å; L588-M592 PolarHBondContact O-N 2.95Å; L589-M592 PolarHBondContact O-N 2.84Å; E590-M592 VanDerWaalsContact C-N 3.34Å; E590-M592 PolarHBondContact O-N 3.44Å; M592-A595 PolarHBondContact O-N 2.95Å; M592-L596 WeakPolarHBondContact O-CG 3.45Å; M592-L596 PolarHBondContact O-N 3.33Å; M592-V620 HydrophobicContact CB-CG1 4.36Å; M592-V620 HydrophobicContact CE-CG1 3.73Å; M592-V620 HydrophobicContact CG-CG1 4.35Å; M592-M623 HydrophobicContact CG-CB 4.23Å; M592-M623 HydrophobicContact CG-CG 4.24Å; M592-M623 HydrophobicContact CG-SD 3.68Å; M592-A624 HydrophobicContact CE-CB 3.81Å; M592-A624 HydrophobicContact SD-CB 4.48Å; M592-M627 HydrophobicContact SD-SD 3.88Å; M592-L676 HydrophobicContact CE-CD2 4.07Å; M592-L676 HydrophobicContact CE-CG 3.93Å; M592-L676 HydrophobicContact SD-CD2 3.93Å; M592-L676 HydrophobicContact SD-CG 4.09Å; M592-I677 HydrophobicContact CE-CB 4.37Å; M592-I677 HydrophobicContact CE-CG1 3.61Å; M592-A680 HydrophobicContact CB-CB 3.72Å; M592-A680 HydrophobicContact CE-CB 4.39Å
593	S	96.1	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-42.6	179.9	-54.9	0	0	0	0	111.5	L589 E590 K591 L596 G597 A680 A684	L589-S593 WeakPolarHBondContact O-CB 3.29Å; L589-S593 PolarHBondContact O-N 2.74Å; L589-S593 PolarHBondContact O-OG 3.09Å; E590-S593 WeakPolarHBondContact O-CB 3.4Å; E590-S593 PolarHBondContact O-N 3.07Å; E590-S593 VanDerWaalsContact O-N 3.16Å; K591-S593 VanDerWaalsContact C-N 3.34Å; S593-L596 CarbonylContact O-C 3.58Å; S593-L596 PolarHBondContact O-N 3.23Å; S593-G597 PolarHBondContact O-N 3.15Å; S593-G597 VanDerWaalsContact O-N 3.11Å; S593-A680 WeakPolarHBondContact OG-CA 3.27Å; S593-A680 PolarHBondContact OG-O 2.78Å; S593-A684 WeakPolarHBondContact O-CB 3.38Å
594	M	93.9	Very high	93.7	Very high	31 Å²	31	26.4 Å²	26.4	15%	0.153	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-44	174.3	-176.2	-170.9	80.8	0	0	112.2	H542 T552 H575 E590 L596 G597	H542-M594 PolarHBondContact ND1-O 3.48Å; T552-M594 HydrophobicContact CG2-CB 4.14Å; T552-M594 HydrophobicContact CG2-SD 4.03Å; H575-M594 PolarHBondContact NE2-SD 2.67Å; H575-M594 VanDerWaalsContact NE2-SD 3.44Å; E590-M594 WeakPolarHBondContact O-CB 3.46Å; E590-M594 PolarHBondContact O-N 3.29Å; M594-L596 VanDerWaalsContact C-N 3.28Å; M594-L596 PolarHBondContact O-N 2.83Å; M594-G597 PolarHBondContact O-N 3.11Å; M594-G597 VanDerWaalsContact O-N 3.1Å
595	A	92.8	Very high	93.9	Very high	12 Å²	12	25.9 Å²	25.9	10%	0.099	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-28.2	175.7	0	0	0	0	0	112.6	H542 K591 M592 G597 D616 V620	H542-A595 PolarHBondContact CE1-O 3.28Å; K591-A595 PolarHBondContact O-N 3.42Å; K591-A595 VanDerWaalsContact O-N 3.11Å; M592-A595 PolarHBondContact O-N 2.95Å; A595-G597 VanDerWaalsContact C-N 3.29Å; A595-D616 WeakPolarHBondContact O-CB 3.5Å; A595-V620 HydrophobicContact CB-CG2 3.47Å; A595-V620 VanDerWaalsContact CB-CG2 3.47Å
596	L	95.4	Very high	94.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.5	173.6	-67.1	170.7	0	0	0	113.5	M592 S593 M594 R599 A600 L617 V620 I677 A680 Y681	M592-L596 WeakPolarHBondContact O-CG 3.45Å; M592-L596 PolarHBondContact O-N 3.33Å; S593-L596 CarbonylContact O-C 3.58Å; S593-L596 PolarHBondContact O-N 3.23Å; M594-L596 VanDerWaalsContact C-N 3.28Å; M594-L596 PolarHBondContact O-N 2.83Å; L596-R599 PolarHBondContact O-N 3.43Å; L596-A600 WeakPolarHBondContact O-CB 3.45Å; L596-A600 PolarHBondContact O-N 2.89Å; L596-L617 HydrophobicContact CD2-CD2 4.04Å; L596-V620 HydrophobicContact CD1-CG1 4.08Å; L596-V620 HydrophobicContact CD2-CG1 4.27Å; L596-V620 HydrophobicContact CD2-CG2 4.13Å; L596-V620 HydrophobicContact CG-CG1 4.2Å; L596-V620 HydrophobicContact CG-CG2 3.94Å; L596-I677 HydrophobicContact CD1-CG2 4.19Å; L596-A680 HydrophobicContact CD1-CB 3.9Å; L596-Y681 HydrophobicContact CB-CD2 4.28Å; L596-Y681 HydrophobicContact CD1-CD2 4.49Å
597	G	94.9	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-44.8	-176	0	0	0	0	0	113.6	S593 M594 A595 A600 A601 L688	S593-G597 PolarHBondContact O-N 3.15Å; S593-G597 VanDerWaalsContact O-N 3.11Å; M594-G597 PolarHBondContact O-N 3.11Å; M594-G597 VanDerWaalsContact O-N 3.1Å; A595-G597 VanDerWaalsContact C-N 3.29Å; G597-A600 PolarHBondContact O-N 2.91Å; G597-A601 WeakPolarHBondContact O-CB 3.44Å; G597-A601 PolarHBondContact O-N 3.3Å; G597-L688 WeakPolarHBondContact O-CD1 3.48Å
598	G	93.5	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-46.5	179.1	0	0	0	0	0	112.9	H538 A600 A601 E602	H538-G598 WeakPolarHBondContact O-CA 3.21Å; G598-A600 PolarHBondContact O-N 3.16Å; G598-A601 PolarHBondContact O-N 2.86Å; G598-E602 PolarHBondContact O-N 2.51Å
599	R	95.1	Very high	94.3	Very high	77 Å²	77	27.5 Å²	27.5	29%	0.291	16%	0.163	S	C	.	.	H	α-helix	trans	-57.8	-44.8	172.7	171	157.2	-168.2	104.7	8.3	112.8	L596 A601 E602 A603 V609 A613 Y681	L596-R599 PolarHBondContact O-N 3.43Å; R599-A601 VanDerWaalsContact C-N 3.34Å; R599-E602 PolarHBondContact O-N 2.71Å; R599-A603 WeakPolarHBondContact O-CB 3.33Å; R599-A603 PolarHBondContact O-N 3.25Å; R599-V609 HydrophobicContact CB-CG1 4.37Å; R599-V609 HydrophobicContact CG-CG1 3.77Å; R599-V609 HydrophobicContact CG-CG2 4.26Å; R599-V609 VanDerWaalsContact CZ-CG1 3.49Å; R599-A613 HydrophobicContact CB-CB 3.87Å; R599-A613 HydrophobicContact CG-CB 4.42Å; R599-Y681 HydrophobicContact CG-CE2 4.08Å
600	A	96.5	Very high	94.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-35.6	179.6	0	0	0	0	0	112	L596 G597 G598 A603 L604 Y681 A684 L688	L596-A600 WeakPolarHBondContact O-CB 3.45Å; L596-A600 PolarHBondContact O-N 2.89Å; G597-A600 PolarHBondContact O-N 2.91Å; G598-A600 PolarHBondContact O-N 3.16Å; A600-A603 PolarHBondContact O-N 3.29Å; A600-L604 VanDerWaalsContact O-CB 3.31Å; A600-L604 WeakPolarHBondContact O-CB 3.09Å; A600-L604 PolarHBondContact O-N 2.8Å; A600-Y681 HydrophobicContact CB-CD2 4.48Å; A600-Y681 HydrophobicContact CB-CE2 3.84Å; A600-A684 HydrophobicContact CB-CB 4.23Å; A600-L688 HydrophobicContact CB-CD1 3.66Å
601	A	96	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-45.3	174.8	0	0	0	0	0	111.7	Y537 G597 G598 R599 A603 L604 V605 L688 L695	Y537-A601 WeakPolarHBondContact O-CB 3.41Å; G597-A601 WeakPolarHBondContact O-CB 3.44Å; G597-A601 PolarHBondContact O-N 3.3Å; G598-A601 PolarHBondContact O-N 2.86Å; R599-A601 VanDerWaalsContact C-N 3.34Å; A601-A603 PolarHBondContact O-N 3.38Å; A601-L604 PolarHBondContact O-N 2.81Å; A601-V605 WeakPolarHBondContact O-CG2 3.33Å; A601-V605 PolarHBondContact O-N 3.34Å; A601-L688 HydrophobicContact CB-CD1 3.93Å; A601-L695 HydrophobicContact CB-CD1 4.44Å; A601-L695 HydrophobicContact CB-CD2 4.24Å
602	E	94.8	Very high	93.5	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-46.4	174.9	-72	-175.2	-166.8	0	0	112.1	R534 H538 G598 R599 L604 V605 Y606 S608 V609 S610	R534-E602 HydrophobicContact CG-CG 4.2Å; H538-E602 HydrophobicContact CB-CG 4.39Å; H538-E602 IonicContact CE1-OE1 2.79Å; H538-E602 IonicContact CG-OE1 3.91Å; H538-E602 IonicContact ND1-OE1 3.39Å; H538-E602 PolarHBondContact ND1-OE1 2.8Å; G598-E602 PolarHBondContact O-N 2.51Å; R599-E602 PolarHBondContact O-N 2.71Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 3.33Å; E602-V605 PolarHBondContact O-N 2.9Å; E602-Y606 WeakPolarHBondContact O-CB 3.31Å; E602-Y606 PolarHBondContact O-N 3.14Å; E602-S608 CarbonylContact C-O 3.59Å; E602-V609 WeakPolarHBondContact OE2-CG1 3.26Å; E602-S610 VanDerWaalsContact CD-OG 3.3Å; E602-S610 PolarHBondContact OE1-OG 3.13Å; E602-S610 VanDerWaalsContact OE2-CB 3.22Å; E602-S610 WeakPolarHBondContact OE2-CB 3.12Å; E602-S610 PolarHBondContact OE2-N 2.74Å; E602-S610 PolarHBondContact OE2-OG 2.94Å
603	A	95.6	Very high	93.2	Very high	28 Å²	28	29.9 Å²	29.9	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37.4	178.3	0	0	0	0	0	112.2	R599 A600 A601 G607 V609 Y681	R599-A603 WeakPolarHBondContact O-CB 3.33Å; R599-A603 PolarHBondContact O-N 3.25Å; A600-A603 PolarHBondContact O-N 3.29Å; A601-A603 PolarHBondContact O-N 3.38Å; A603-G607 VanDerWaalsContact O-CA 3.25Å; A603-G607 WeakPolarHBondContact O-CA 3.31Å; A603-G607 PolarHBondContact O-N 2.96Å; A603-G607 VanDerWaalsContact O-N 3.12Å; A603-V609 HydrophobicContact CB-CG2 4.02Å; A603-Y681 WeakPolarHBondContact CB-OH 3.12Å
604	L	95	Very high	92.8	Very high	22 Å²	22	36.2 Å²	36.2	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-37.2	-179.5	-175.3	153.2	0	0	0	112.9	A600 A601 E602 L688 R689 R692	A600-L604 VanDerWaalsContact O-CB 3.31Å; A600-L604 WeakPolarHBondContact O-CB 3.09Å; A600-L604 PolarHBondContact O-N 2.8Å; A601-L604 PolarHBondContact O-N 2.81Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 3.33Å; L604-L688 HydrophobicContact CD1-CB 4.02Å; L604-R689 HydrophobicContact CD1-CB 4.34Å; L604-R689 HydrophobicContact CD1-CG 3.5Å; L604-R692 HydrophobicContact CD2-CG 4.43Å
605	V	94.8	Very high	92.4	Very high	40 Å²	40	39.4 Å²	39.4	24%	0.242	24%	0.235	C	C	.	.	H	α-helix	trans	-89.7	-47.5	-175.1	176.9	0	0	0	0	111.7	Y537 A601 E602 L695	Y537-V605 HydrophobicContact CD1-CB 4.5Å; Y537-V605 HydrophobicContact CD1-CG1 4.41Å; Y537-V605 HydrophobicContact CD1-CG2 3.76Å; Y537-V605 HydrophobicContact CD2-CG1 4.2Å; Y537-V605 HydrophobicContact CE1-CG1 4.18Å; Y537-V605 HydrophobicContact CE1-CG2 3.79Å; Y537-V605 HydrophobicContact CE2-CG1 3.96Å; Y537-V605 HydrophobicContact CG-CG1 4.42Å; Y537-V605 HydrophobicContact CG-CG2 4.34Å; A601-V605 WeakPolarHBondContact O-CG2 3.33Å; A601-V605 PolarHBondContact O-N 3.34Å; E602-V605 PolarHBondContact O-N 2.9Å; V605-L695 HydrophobicContact CG2-CD2 4.44Å
606	Y	93.4	Very high	92.3	Very high	68 Å²	68	40.5 Å²	40.5	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-101.3	-10.8	-173.7	-62.5	-71.9	0	0	0	114.2	E533 R534 Y537 E602 S608	E533-Y606 WeakPolarHBondContact CG-OH 3.25Å; R534-Y606 HydrophobicContact CB-CE2 4.01Å; R534-Y606 HydrophobicContact CG-CD2 4.34Å; R534-Y606 HydrophobicContact CG-CE2 3.88Å; R534-Y606 PolarHBondContact N-OH 3.35Å; Y537-Y606 HydrophobicContact CD2-CE2 4.03Å; Y537-Y606 WeakPolarHBondContact CD2-OH 3.24Å; E602-Y606 WeakPolarHBondContact O-CB 3.31Å; E602-Y606 PolarHBondContact O-N 3.14Å; Y606-S608 PolarHBondContact O-N 2.9Å; Y606-S608 PolarHBondContact O-OG 3.04Å
607	G	92.4	Very high	92.2	Very high	70 Å²	70	43.2 Å²	43.2	72%	0.722	25%	0.253	S	S	*	.	S	Bend	trans	64.7	8.6	-173.6	0	0	0	0	0	114.2	A603	A603-G607 VanDerWaalsContact O-CA 3.25Å; A603-G607 WeakPolarHBondContact O-CA 3.31Å; A603-G607 PolarHBondContact O-N 2.96Å; A603-G607 VanDerWaalsContact O-N 3.12Å
608	S	92.4	Very high	91.9	Very high	61 Å²	61	49.3 Å²	49.3	43%	0.427	28%	0.281	S	S	.	.	S	Bend	trans	-142	158.2	-179.4	56	0	0	0	0	108.7	E602 Y606	E602-S608 CarbonylContact C-O 3.59Å; Y606-S608 PolarHBondContact O-N 2.9Å; Y606-S608 PolarHBondContact O-OG 3.04Å
609	V	92.2	Very high	91.7	Very high	50 Å²	50	51.1 Å²	51.1	30%	0.303	29%	0.294	S	S	.	.			trans	-121.7	143.7	179.3	-167.4	0	0	0	0	110.3	R599 E602 A603	R599-V609 HydrophobicContact CB-CG1 4.37Å; R599-V609 HydrophobicContact CG-CG1 3.77Å; R599-V609 HydrophobicContact CG-CG2 4.26Å; R599-V609 VanDerWaalsContact CZ-CG1 3.49Å; E602-V609 WeakPolarHBondContact OE2-CG1 3.26Å; A603-V609 HydrophobicContact CB-CG2 4.02Å
610	S	90	Very high	91.6	Very high	34 Å²	34	47.4 Å²	47.4	24%	0.238	28%	0.28	C	S	.	.			trans	-85.6	170.3	178.2	78.6	0	0	0	0	113.4	E602 G612	E602-S610 VanDerWaalsContact CD-OG 3.3Å; E602-S610 PolarHBondContact OE1-OG 3.13Å; E602-S610 VanDerWaalsContact OE2-CB 3.22Å; E602-S610 WeakPolarHBondContact OE2-CB 3.12Å; E602-S610 PolarHBondContact OE2-N 2.74Å; E602-S610 PolarHBondContact OE2-OG 2.94Å; S610-G612 PolarHBondContact O-N 2.89Å; S610-G612 PolarHBondContact OG-N 3.3Å
611	T	89.3	Confident	91.4	Very high	122 Å²	122	49.9 Å²	49.9	75%	0.748	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-70.5	-7.5	168	52	0	0	0	0	112.7	A613 E614	T611-A613 PolarHBondContact O-N 2.97Å; T611-E614 PolarHBondContact O-N 2.83Å
612	G	84.9	Confident	91.1	Very high	5 Å²	5	57 Å²	57	5%	0.052	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.9	-28.2	-179.1	0	0	0	0	0	114	M570 S610 E614	M570-G612 WeakPolarHBondContact CE-O 3.46Å; M570-G612 WeakPolarHBondContact SD-CA 3.41Å; S610-G612 PolarHBondContact O-N 2.89Å; S610-G612 PolarHBondContact OG-N 3.3Å; G612-E614 PolarHBondContact O-N 2.81Å; G612-E614 VanDerWaalsContact O-N 3.11Å
613	A	87.9	Confident	91	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-76.5	9.1	179.6	0	0	0	0	0	114.9	R599 T611 L617	R599-A613 HydrophobicContact CB-CB 3.87Å; R599-A613 HydrophobicContact CG-CB 4.42Å; T611-A613 PolarHBondContact O-N 2.97Å; A613-L617 HydrophobicContact CB-CD1 4.46Å; A613-L617 VanDerWaalsContact O-CB 3.3Å; A613-L617 WeakPolarHBondContact O-CB 3.4Å; A613-L617 WeakPolarHBondContact O-CG 3.24Å; A613-L617 PolarHBondContact O-N 2.93Å
614	E	88.7	Confident	90.8	Very high	133 Å²	133	57.5 Å²	57.5	62%	0.621	32%	0.32	S	S	*	.	H	α-helix	trans	-61.1	-52.5	-176.6	-177.2	177.2	179	0	0	112.4	T611 G612 D616 L617 Q618	T611-E614 PolarHBondContact O-N 2.83Å; G612-E614 PolarHBondContact O-N 2.81Å; G612-E614 VanDerWaalsContact O-N 3.11Å; E614-D616 VanDerWaalsContact C-N 3.31Å; E614-D616 PolarHBondContact O-N 2.88Å; E614-L617 PolarHBondContact O-N 2.91Å; E614-Q618 PolarHBondContact O-N 2.87Å
615	D	85.2	Confident	90.5	Very high	98 Å²	98	59.8 Å²	59.8	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-39.8	-179	-73.8	-26.9	0	0	0	111.4	Q618 S619	D615-Q618 PolarHBondContact O-N 2.76Å; D615-S619 WeakPolarHBondContact O-CB 3.45Å; D615-S619 PolarHBondContact O-N 3.11Å
616	D	90.6	Very high	90.2	Very high	35 Å²	35	63.5 Å²	63.5	19%	0.187	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-46.9	175.9	-65	-47.9	0	0	0	111.9	H538 H542 A595 E614 Q618 S619 V620	H538-D616 IonicContact NE2-OD2 2.7Å; H542-D616 IonicContact CE1-OD1 3.98Å; H542-D616 IonicContact CE1-OD2 3.58Å; H542-D616 PolarHBondContact CE1-OD2 2.91Å; H542-D616 VanDerWaalsContact CE1-OD2 3.29Å; H542-D616 IonicContact NE2-OD2 3.08Å; H542-D616 PolarHBondContact NE2-OD2 3.02Å; A595-D616 WeakPolarHBondContact O-CB 3.5Å; E614-D616 VanDerWaalsContact C-N 3.31Å; E614-D616 PolarHBondContact O-N 2.88Å; D616-Q618 VanDerWaalsContact C-N 3.3Å; D616-Q618 PolarHBondContact O-N 2.77Å; D616-S619 PolarHBondContact O-N 3.49Å; D616-V620 VanDerWaalsContact O-CB 3.29Å; D616-V620 WeakPolarHBondContact O-CB 3.45Å; D616-V620 WeakPolarHBondContact O-CG2 3.47Å; D616-V620 PolarHBondContact O-N 2.85Å
617	L	92.1	Very high	90	Very high	59 Å²	59	60.4 Å²	60.4	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.3	-76.3	171.3	0	0	0	111.2	L596 A613 E614 T621	L596-L617 HydrophobicContact CD2-CD2 4.04Å; A613-L617 HydrophobicContact CB-CD1 4.46Å; A613-L617 VanDerWaalsContact O-CB 3.3Å; A613-L617 WeakPolarHBondContact O-CB 3.4Å; A613-L617 WeakPolarHBondContact O-CG 3.24Å; A613-L617 PolarHBondContact O-N 2.93Å; E614-L617 PolarHBondContact O-N 2.91Å; L617-T621 WeakPolarHBondContact O-CB 3.42Å; L617-T621 PolarHBondContact O-N 3.47Å; L617-T621 PolarHBondContact O-OG1 3.24Å
618	Q	90.4	Very high	89.8	Confident	129 Å²	129	57.3 Å²	57.3	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-63.5	-45.3	176	-167.1	-170.6	52.1	0	0	110.9	E614 D615 D616 R622	E614-Q618 PolarHBondContact O-N 2.87Å; D615-Q618 PolarHBondContact O-N 2.76Å; D616-Q618 VanDerWaalsContact C-N 3.3Å; D616-Q618 PolarHBondContact O-N 2.77Å; Q618-R622 VanDerWaalsContact O-CB 3.25Å; Q618-R622 WeakPolarHBondContact O-CB 3.37Å; Q618-R622 PolarHBondContact O-N 3.5Å
619	S	88.4	Confident	89.5	Confident	37 Å²	37	56.5 Å²	56.5	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-47.4	179.1	-170.3	0	0	0	0	112.1	D615 D616 R622 M623	D615-S619 WeakPolarHBondContact O-CB 3.45Å; D615-S619 PolarHBondContact O-N 3.11Å; D616-S619 PolarHBondContact O-N 3.49Å; S619-R622 PolarHBondContact O-N 3.27Å; S619-M623 WeakPolarHBondContact O-CB 3.19Å; S619-M623 PolarHBondContact O-N 3.31Å
620	V	93.6	Very high	89.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-47	177.7	168.5	0	0	0	0	110.9	M592 A595 L596 D616 R622 M623 A624 I677	M592-V620 HydrophobicContact CB-CG1 4.36Å; M592-V620 HydrophobicContact CE-CG1 3.73Å; M592-V620 HydrophobicContact CG-CG1 4.35Å; A595-V620 HydrophobicContact CB-CG2 3.47Å; A595-V620 VanDerWaalsContact CB-CG2 3.47Å; L596-V620 HydrophobicContact CD1-CG1 4.08Å; L596-V620 HydrophobicContact CD2-CG1 4.27Å; L596-V620 HydrophobicContact CD2-CG2 4.13Å; L596-V620 HydrophobicContact CG-CG1 4.2Å; L596-V620 HydrophobicContact CG-CG2 3.94Å; D616-V620 VanDerWaalsContact O-CB 3.29Å; D616-V620 WeakPolarHBondContact O-CB 3.45Å; D616-V620 WeakPolarHBondContact O-CG2 3.47Å; D616-V620 PolarHBondContact O-N 2.85Å; V620-R622 PolarHBondContact O-N 3.46Å; V620-M623 PolarHBondContact O-N 2.96Å; V620-A624 WeakPolarHBondContact O-CB 3.4Å; V620-A624 PolarHBondContact O-N 2.95Å; V620-I677 HydrophobicContact CG1-CD1 4.38Å; V620-I677 HydrophobicContact CG1-CG1 3.89Å; V620-I677 HydrophobicContact CG1-CG2 4.11Å
621	T	92.2	Very high	89.1	Confident	52 Å²	52	60.1 Å²	60.1	32%	0.319	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-47	177.2	-61.8	0	0	0	0	110.9	L617 M623 A624 Y625	L617-T621 WeakPolarHBondContact O-CB 3.42Å; L617-T621 PolarHBondContact O-N 3.47Å; L617-T621 PolarHBondContact O-OG1 3.24Å; T621-M623 VanDerWaalsContact C-N 3.32Å; T621-M623 PolarHBondContact O-N 2.93Å; T621-A624 PolarHBondContact O-N 3.39Å; T621-Y625 HydrophobicContact CG2-CD2 3.7Å; T621-Y625 HydrophobicContact CG2-CE2 3.56Å; T621-Y625 WeakPolarHBondContact O-CD2 3.1Å; T621-Y625 PolarHBondContact O-N 3.44Å
622	R	90.3	Very high	89	Confident	151 Å²	151	55 Å²	55	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-59.6	-42.5	176.1	179.5	174.9	60.5	-172	-4.9	111.6	Q618 S619 V620 Y625 R626	Q618-R622 VanDerWaalsContact O-CB 3.25Å; Q618-R622 WeakPolarHBondContact O-CB 3.37Å; Q618-R622 PolarHBondContact O-N 3.5Å; S619-R622 PolarHBondContact O-N 3.27Å; V620-R622 PolarHBondContact O-N 3.46Å; R622-Y625 PolarHBondContact O-N 3.05Å; R622-R626 WeakPolarHBondContact O-CG 3.44Å; R622-R626 PolarHBondContact O-N 3.46Å
623	M	91.7	Very high	89.1	Confident	40 Å²	40	57.1 Å²	57.1	20%	0.197	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-46.1	178.5	-161.4	177.9	-50.6	0	0	111.4	L588 K591 M592 S619 V620 T621 Y625 R626 M627	L588-M623 HydrophobicContact CB-SD 4.41Å; L588-M623 HydrophobicContact CD2-CG 4.06Å; L588-M623 HydrophobicContact CD2-SD 3.82Å; K591-M623 HydrophobicContact CB-CE 4.13Å; K591-M623 HydrophobicContact CB-SD 3.98Å; M592-M623 HydrophobicContact CG-CB 4.23Å; M592-M623 HydrophobicContact CG-CG 4.24Å; M592-M623 HydrophobicContact CG-SD 3.68Å; S619-M623 WeakPolarHBondContact O-CB 3.19Å; S619-M623 PolarHBondContact O-N 3.31Å; V620-M623 PolarHBondContact O-N 2.96Å; T621-M623 VanDerWaalsContact C-N 3.32Å; T621-M623 PolarHBondContact O-N 2.93Å; M623-Y625 PolarHBondContact O-N 3.47Å; M623-R626 PolarHBondContact O-N 3.13Å; M623-R626 VanDerWaalsContact O-N 3.11Å; M623-M627 WeakPolarHBondContact O-CG 3.48Å; M623-M627 PolarHBondContact O-N 2.88Å
624	A	91.5	Very high	89	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.1	-47.5	176	0	0	0	0	0	111.6	M592 V620 T621 R626 M627 I628 A673 L676 I677	M592-A624 HydrophobicContact CE-CB 3.81Å; M592-A624 HydrophobicContact SD-CB 4.48Å; V620-A624 WeakPolarHBondContact O-CB 3.4Å; V620-A624 PolarHBondContact O-N 2.95Å; T621-A624 PolarHBondContact O-N 3.39Å; A624-R626 VanDerWaalsContact C-N 3.32Å; A624-R626 PolarHBondContact O-N 3.45Å; A624-M627 PolarHBondContact O-N 3.1Å; A624-I628 WeakPolarHBondContact O-CD1 3.31Å; A624-I628 VanDerWaalsContact O-CG1 3.29Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 3.19Å; A624-I628 VanDerWaalsContact O-N 3.15Å; A624-A673 HydrophobicContact CB-CB 4.49Å; A624-L676 HydrophobicContact CB-CD2 4.05Å; A624-I677 HydrophobicContact CB-CD1 4.09Å; A624-I677 HydrophobicContact CB-CG1 3.98Å
625	Y	89.1	Confident	88.7	Confident	71 Å²	71	58.8 Å²	58.8	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-65	-32.9	176.9	-81.7	-67.2	0	0	0	113.3	T621 R622 M623 I628 K629 A673	T621-Y625 HydrophobicContact CG2-CD2 3.7Å; T621-Y625 HydrophobicContact CG2-CE2 3.56Å; T621-Y625 WeakPolarHBondContact O-CD2 3.1Å; T621-Y625 PolarHBondContact O-N 3.44Å; R622-Y625 PolarHBondContact O-N 3.05Å; M623-Y625 PolarHBondContact O-N 3.47Å; Y625-I628 PolarHBondContact O-N 2.93Å; Y625-K629 HydrophobicContact CD1-CD 4.1Å; Y625-K629 VanDerWaalsContact O-CB 3.25Å; Y625-K629 WeakPolarHBondContact O-CB 3.42Å; Y625-K629 PolarHBondContact O-N 2.91Å; Y625-A673 HydrophobicContact CE1-CB 4.38Å
626	R	88.6	Confident	88.5	Confident	117 Å²	117	60.3 Å²	60.3	44%	0.442	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-42.7	174.8	-73.1	-177.4	72.5	-169.1	-0.4	112.1	R622 M623 A624 I628 Q630 F631	R622-R626 WeakPolarHBondContact O-CG 3.44Å; R622-R626 PolarHBondContact O-N 3.46Å; M623-R626 PolarHBondContact O-N 3.13Å; M623-R626 VanDerWaalsContact O-N 3.11Å; A624-R626 VanDerWaalsContact C-N 3.32Å; A624-R626 PolarHBondContact O-N 3.45Å; R626-I628 PolarHBondContact O-N 3.37Å; R626-Q630 VanDerWaalsContact NE-OE1 3.08Å; R626-Q630 WeakPolarHBondContact O-CA 3.47Å; R626-Q630 WeakPolarHBondContact O-CB 3.44Å; R626-Q630 PolarHBondContact O-N 3Å; R626-F631 HydrophobicContact CB-CE2 4.24Å; R626-F631 PolarHBondContact O-N 3.34Å
627	M	89.6	Confident	88.1	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-55.3	-40.5	174.8	-71.8	173.6	74	0	0	111.7	K585 L588 M592 M623 A624 F631 G632 M633 L676	K585-M627 HydrophobicContact CG-CE 4.1Å; L588-M627 HydrophobicContact CB-CE 3.76Å; L588-M627 HydrophobicContact CB-CG 4.3Å; L588-M627 HydrophobicContact CB-SD 3.55Å; L588-M627 VanDerWaalsContact CB-SD 3.55Å; L588-M627 HydrophobicContact CD1-CE 4.29Å; L588-M627 HydrophobicContact CD1-CG 3.71Å; L588-M627 HydrophobicContact CD1-SD 4.09Å; L588-M627 HydrophobicContact CG-SD 4.37Å; M592-M627 HydrophobicContact SD-SD 3.88Å; M623-M627 WeakPolarHBondContact O-CG 3.48Å; M623-M627 PolarHBondContact O-N 2.88Å; A624-M627 PolarHBondContact O-N 3.1Å; M627-F631 HydrophobicContact CG-CD2 4.37Å; M627-G632 PolarHBondContact O-N 3.2Å; M627-M633 HydrophobicContact CB-CB 4.33Å; M627-M633 HydrophobicContact CB-SD 4.31Å; M627-M633 HydrophobicContact CE-SD 4.12Å; M627-M633 HydrophobicContact CG-SD 4.03Å; M627-M633 WeakPolarHBondContact O-CB 3.43Å; M627-M633 PolarHBondContact O-N 3.19Å; M627-L676 HydrophobicContact CB-CD2 4.38Å; M627-L676 HydrophobicContact CE-CD1 4.26Å; M627-L676 HydrophobicContact CE-CD2 3.93Å; M627-L676 HydrophobicContact SD-CD2 3.71Å
628	I	87.6	Confident	87.6	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-81.5	-52.8	-177.3	-65	169.3	0	0	0	111.6	A624 Y625 R626 I637 M667 E672 A673	A624-I628 WeakPolarHBondContact O-CD1 3.31Å; A624-I628 VanDerWaalsContact O-CG1 3.29Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 3.19Å; A624-I628 VanDerWaalsContact O-N 3.15Å; Y625-I628 PolarHBondContact O-N 2.93Å; R626-I628 PolarHBondContact O-N 3.37Å; I628-I637 HydrophobicContact CG2-CD1 3.32Å; I628-M667 HydrophobicContact CG2-CG 4.12Å; I628-E672 HydrophobicContact CD1-CB 3.76Å; I628-E672 HydrophobicContact CG1-CB 4.38Å; I628-A673 VanDerWaalsContact CD1-CA 3.41Å; I628-A673 HydrophobicContact CD1-CB 3.64Å; I628-A673 VanDerWaalsContact CD1-N 3.26Å
629	K	85.1	Confident	87.4	Confident	45 Å²	45	57.6 Å²	57.6	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-84.9	-33.5	-170.4	-66.3	177.1	174.3	166.2	0	113.8	Y625 F642 M667 D668	Y625-K629 HydrophobicContact CD1-CD 4.1Å; Y625-K629 VanDerWaalsContact O-CB 3.25Å; Y625-K629 WeakPolarHBondContact O-CB 3.42Å; Y625-K629 PolarHBondContact O-N 2.91Å; K629-F642 PolarHBondContact O-N 3.32Å; K629-M667 HydrophobicContact CD-SD 4.4Å; K629-M667 HydrophobicContact CG-SD 3.99Å; K629-D668 IonicContact NZ-OD1 3.6Å; K629-D668 PolarHBondContact NZ-OD1 3.07Å; K629-D668 VanDerWaalsContact NZ-OD1 3.16Å
630	Q	85.8	Confident	87.2	Confident	67 Å²	67	59.9 Å²	59.9	31%	0.313	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-39.2	-173	-64.7	177.4	4.1	0	0	112.7	R626 A641	R626-Q630 VanDerWaalsContact NE-OE1 3.08Å; R626-Q630 WeakPolarHBondContact O-CA 3.47Å; R626-Q630 WeakPolarHBondContact O-CB 3.44Å; R626-Q630 PolarHBondContact O-N 3Å; Q630-A641 WeakPolarHBondContact O-CB 3.45Å
631	F	88.6	Confident	86.8	Confident	92 Å²	92	63 Å²	63	40%	0.404	32%	0.317	S	S	.	.	S	Bend	trans	-96.7	-9.2	-173.7	-55.2	-31.8	0	0	0	114.1	L588 R626 M627 M633	L588-F631 HydrophobicContact CD1-CD2 4.14Å; L588-F631 HydrophobicContact CD1-CE2 4.22Å; R626-F631 HydrophobicContact CB-CE2 4.24Å; R626-F631 PolarHBondContact O-N 3.34Å; M627-F631 HydrophobicContact CG-CD2 4.37Å; F631-M633 HydrophobicContact CB-CE 3.96Å; F631-M633 HydrophobicContact CB-CG 3.74Å; F631-M633 HydrophobicContact CB-SD 3.98Å; F631-M633 HydrophobicContact CD2-CE 4.13Å; F631-M633 HydrophobicContact CD2-SD 4.16Å; F631-M633 HydrophobicContact CG-CE 4.31Å; F631-M633 PolarHBondContact O-N 3.46Å
632	G	87.8	Confident	86.2	Confident	14 Å²	14	61.9 Å²	61.9	14%	0.144	31%	0.308	C	S	.	.			trans	59.3	30.2	-179	0	0	0	0	0	113.4	M627 S634	M627-G632 PolarHBondContact O-N 3.2Å; G632-S634 PolarHBondContact O-N 2.88Å; G632-S634 VanDerWaalsContact O-N 3.16Å
633	M	87.4	Confident	85.3	Confident	51 Å²	51	60.2 Å²	60.2	25%	0.251	32%	0.317	S	S	.	.			trans	-81.9	16.7	-178.2	-65.2	179.2	170.9	0	0	113.3	K585 L588 M627 F631	K585-M633 HydrophobicContact CB-SD 4.27Å; L588-M633 HydrophobicContact CD1-CE 3.78Å; L588-M633 HydrophobicContact CD1-SD 3.61Å; M627-M633 HydrophobicContact CB-CB 4.33Å; M627-M633 HydrophobicContact CB-SD 4.31Å; M627-M633 HydrophobicContact CE-SD 4.12Å; M627-M633 HydrophobicContact CG-SD 4.03Å; M627-M633 WeakPolarHBondContact O-CB 3.43Å; M627-M633 PolarHBondContact O-N 3.19Å; F631-M633 HydrophobicContact CB-CE 3.96Å; F631-M633 HydrophobicContact CB-CG 3.74Å; F631-M633 HydrophobicContact CB-SD 3.98Å; F631-M633 HydrophobicContact CD2-CE 4.13Å; F631-M633 HydrophobicContact CD2-SD 4.16Å; F631-M633 HydrophobicContact CG-CE 4.31Å; F631-M633 PolarHBondContact O-N 3.46Å
634	S	84.3	Confident	84.2	Confident	10 Å²	10	64.3 Å²	64.3	7%	0.07	33%	0.333	C	S	.	.			trans	-97.1	132.5	178.7	155.8	0	0	0	0	109.6	G632 H636 I637 G638 E672	G632-S634 PolarHBondContact O-N 2.88Å; G632-S634 VanDerWaalsContact O-N 3.16Å; S634-H636 PolarHBondContact OG-N 2.88Å; S634-I637 VanDerWaalsContact OG-CB 3.27Å; S634-I637 WeakPolarHBondContact OG-CB 3.37Å; S634-I637 WeakPolarHBondContact OG-CG1 3.41Å; S634-I637 PolarHBondContact OG-N 3.34Å; S634-G638 WeakPolarHBondContact O-CA 3.34Å; S634-G638 PolarHBondContact O-N 3.41Å; S634-G638 VanDerWaalsContact O-N 3.14Å; S634-E672 WeakPolarHBondContact CB-OE2 3.35Å; S634-E672 PolarHBondContact OG-OE1 3.11Å; S634-E672 PolarHBondContact OG-OE2 3.36Å
635	E	82.5	Confident	82.7	Confident	159 Å²	159	66.5 Å²	66.5	74%	0.743	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-30.4	176.2	-74.8	162.7	-143.1	0	0	111.9	K585	K585-E635 IonicContact NZ-OE1 3.58Å; K585-E635 PolarHBondContact NZ-OE1 3.25Å; K585-E635 VanDerWaalsContact NZ-OE1 3.11Å
636	H	82.2	Confident	81.2	Confident	130 Å²	130	65.9 Å²	65.9	60%	0.602	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-34	-176.7	-56.4	86	0	0	0	113.3	S634 E672	S634-H636 PolarHBondContact OG-N 2.88Å; H636-E672 VanDerWaalsContact CB-OE1 3.28Å; H636-E672 WeakPolarHBondContact CB-OE1 3.19Å; H636-E672 IonicContact CE1-OE1 3.88Å; H636-E672 IonicContact CG-OE1 3.89Å; H636-E672 PolarHBondContact N-OE1 3.49Å; H636-E672 IonicContact ND1-OE1 3.14Å; H636-E672 PolarHBondContact ND1-OE1 2.83Å
637	I	81.3	Confident	79.4	Confident	15 Å²	15	65.5 Å²	65.5	8%	0.077	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-32.2	176.3	-59.1	171	0	0	0	110.1	I628 S634 L663 L666 M667	I628-I637 HydrophobicContact CG2-CD1 3.32Å; S634-I637 VanDerWaalsContact OG-CB 3.27Å; S634-I637 WeakPolarHBondContact OG-CB 3.37Å; S634-I637 WeakPolarHBondContact OG-CG1 3.41Å; S634-I637 PolarHBondContact OG-N 3.34Å; I637-L663 HydrophobicContact CG1-CD1 4.4Å; I637-L663 HydrophobicContact CG2-CD1 4.49Å; I637-L666 HydrophobicContact CG1-CD2 4.19Å; I637-M667 HydrophobicContact CD1-CE 4.07Å; I637-M667 HydrophobicContact CD1-CG 3.61Å; I637-M667 HydrophobicContact CG2-CE 4.44Å
638	G	82.1	Confident	77.6	Confident	18 Å²	18	68.3 Å²	68.3	19%	0.186	39%	0.394	C	S	.	.			trans	77.6	-168.3	-176.4	0	0	0	0	0	113.3	S634 I640	S634-G638 WeakPolarHBondContact O-CA 3.34Å; S634-G638 PolarHBondContact O-N 3.41Å; S634-G638 VanDerWaalsContact O-N 3.14Å; G638-I640 PolarHBondContact O-N 3.1Å
639	P	86.9	Confident	75.8	Confident	132 Å²	132	73.3 Å²	73.3	86%	0.857	42%	0.417	S	S	*	.	S	Bend	trans	-80.5	53.8	-172.3	34.9	-37.4	0	0	0	112.4
640	I	84.2	Confident	74.1	Confident	86 Å²	86	76.8 Å²	76.8	44%	0.441	43%	0.434	S	S	.	.			trans	-109.2	131.1	178.2	-57.2	174.9	0	0	0	109.1	G638 F642	G638-I640 PolarHBondContact O-N 3.1Å; I640-F642 HydrophobicContact CG2-CE1 4.23Å; I640-F642 HydrophobicContact CG2-CE2 3.94Å; I640-F642 HydrophobicContact CG2-CZ 3.7Å
641	A	83.5	Confident	72.5	Confident	65 Å²	65	78.2 Å²	78.2	54%	0.537	45%	0.452	S	S	.	.			trans	-110.9	132	177.7	0	0	0	0	0	111.5	Q630	Q630-A641 WeakPolarHBondContact O-CB 3.45Å
642	F	80.3	Confident	70.8	Confident	29 Å²	29	78.5 Å²	78.5	13%	0.127	46%	0.461	C	S	.	.			trans	-104.7	113.7	171.9	-59.2	-76.1	0	0	0	108.6	K629 I640 P658 Y659 L663 M667	K629-F642 PolarHBondContact O-N 3.32Å; I640-F642 HydrophobicContact CG2-CE1 4.23Å; I640-F642 HydrophobicContact CG2-CE2 3.94Å; I640-F642 HydrophobicContact CG2-CZ 3.7Å; F642-P658 HydrophobicContact CD1-CG 3.82Å; F642-Y659 AromaticContact CD1-CD1 3.7Å; F642-Y659 HydrophobicContact CD1-CD1 3.7Å; F642-Y659 HydrophobicContact CD1-CE1 4.43Å; F642-Y659 HydrophobicContact CD2-CD1 4.48Å; F642-Y659 AromaticContact CE1-CD1 3.84Å; F642-Y659 HydrophobicContact CE1-CD1 3.84Å; F642-Y659 HydrophobicContact CE1-CG 4.35Å; F642-Y659 HydrophobicContact CG-CD1 4.03Å; F642-Y659 HydrophobicContact CG-CE1 4.38Å; F642-Y659 HydrophobicContact CZ-CD1 4.32Å; F642-L663 HydrophobicContact CE1-CD2 4.36Å; F642-L663 HydrophobicContact CE2-CD2 4.01Å; F642-L663 HydrophobicContact CZ-CD2 3.46Å; F642-L663 VanDerWaalsContact CZ-CD2 3.46Å; F642-M667 HydrophobicContact CD2-CE 3.54Å; F642-M667 HydrophobicContact CE2-CE 3.12Å; F642-M667 HydrophobicContact CZ-CE 3.9Å
643	P	71.9	Confident	69	Low	115 Å²	115	79.3 Å²	79.3	75%	0.747	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-64.2	146.2	-177.1	25	-32.5	0	0	0	111.3
644	K	68.6	Low	67.4	Low	126 Å²	126	84.8 Å²	84.8	55%	0.548	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-64.8	136.9	168.3	-169.2	-163.6	166.8	-157.1	0	108	A646 D647	K644-A646 PolarHBondContact O-N 2.92Å; K644-D647 IonicContact NZ-OD1 2.72Å; K644-D647 PolarHBondContact NZ-OD1 3.16Å
645	P	60	Low	66.1	Low	46 Å²	46	91.5 Å²	91.5	30%	0.299	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.2	138.4	165.9	-17.7	29.4	0	0	0	109.6	E650 A653	P645-E650 HydrophobicContact CB-CG 4.46Å; P645-A653 HydrophobicContact CB-CB 3.62Å; P645-A653 HydrophobicContact CG-CB 3.45Å; P645-A653 VanDerWaalsContact CG-CB 3.45Å
646	A	56.2	Low	65	Low	59 Å²	59	94.2 Å²	94.2	49%	0.488	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-62.3	148.8	171.6	0	0	0	0	0	109.9	K644 G648 E649	K644-A646 PolarHBondContact O-N 2.92Å; A646-G648 PolarHBondContact O-N 3.46Å; A646-E649 PolarHBondContact O-N 2.87Å
647	D	52.2	Low	64.4	Low	108 Å²	108	91.8 Å²	91.8	58%	0.578	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	116.2	-179.9	-61.4	-28	0	0	0	109	K644	K644-D647 IonicContact NZ-OD1 2.72Å; K644-D647 PolarHBondContact NZ-OD1 3.16Å
648	G	51.3	Low	64	Low	63 Å²	63	95.9 Å²	95.9	65%	0.649	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.8	-19.2	-172.8	0	0	0	0	0	115.7	A646	A646-G648 PolarHBondContact O-N 3.46Å
649	E	49.8	Very low	63.7	Low	109 Å²	109	97.1 Å²	97.1	51%	0.509	54%	0.541	S	S	.	.			trans	-92.2	-2.2	172	-73.4	-173.7	175.7	0	0	113.2	A646 S651 V652 A653	A646-E649 PolarHBondContact O-N 2.87Å; E649-S651 PolarHBondContact O-N 3.49Å; E649-S651 VanDerWaalsContact O-N 3.1Å; E649-V652 PolarHBondContact O-N 3.04Å; E649-A653 WeakPolarHBondContact O-CB 3.48Å; E649-A653 PolarHBondContact O-N 3.27Å
650	E	49.8	Very low	63.5	Low	118 Å²	118	94.1 Å²	94.1	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-51.9	-37.4	179.4	-73.6	-168.6	156.6	0	0	112.1	P645 V652 F654	P645-E650 HydrophobicContact CB-CG 4.46Å; E650-V652 VanDerWaalsContact C-N 3.34Å; E650-V652 PolarHBondContact O-N 3.49Å; E650-F654 VanDerWaalsContact O-CB 3.29Å; E650-F654 WeakPolarHBondContact O-CB 3.47Å; E650-F654 PolarHBondContact O-N 3.38Å
651	S	52.1	Low	63.5	Low	97 Å²	97	98.8 Å²	98.8	68%	0.678	54%	0.541	S	S	*	.	H	α-helix	trans	-64.4	-34.9	178.5	-45.8	0	0	0	0	113.3	E649	E649-S651 PolarHBondContact O-N 3.49Å; E649-S651 VanDerWaalsContact O-N 3.1Å
652	V	51.9	Low	63.4	Low	98 Å²	98	104 Å²	104	59%	0.594	55%	0.547	S	S	*	.	H	α-helix	trans	-88	-37.7	180	-171.7	0	0	0	0	110.7	E649 E650 F654 L655 R656	E649-V652 PolarHBondContact O-N 3.04Å; E650-V652 VanDerWaalsContact C-N 3.34Å; E650-V652 PolarHBondContact O-N 3.49Å; V652-F654 VanDerWaalsContact C-N 3.33Å; V652-F654 PolarHBondContact O-N 3.45Å; V652-L655 WeakPolarHBondContact O-CB 3.49Å; V652-L655 PolarHBondContact O-N 3.24Å; V652-L655 VanDerWaalsContact O-N 3.11Å; V652-R656 PolarHBondContact O-N 3.37Å
653	A	51.3	Low	63.5	Low	31 Å²	31	104.3 Å²	104.3	26%	0.256	55%	0.55	S	S	.	*	H	α-helix	trans	-69.1	-30.1	178.4	0	0	0	0	0	112.7	P645 E649 L655 R656	P645-A653 HydrophobicContact CB-CB 3.62Å; P645-A653 HydrophobicContact CG-CB 3.45Å; P645-A653 VanDerWaalsContact CG-CB 3.45Å; E649-A653 WeakPolarHBondContact O-CB 3.48Å; E649-A653 PolarHBondContact O-N 3.27Å; A653-L655 PolarHBondContact O-N 3.42Å; A653-R656 CarbonylContact O-C 3.46Å; A653-R656 PolarHBondContact O-N 3.02Å
654	F	53.7	Low	63.9	Low	167 Å²	167	101.2 Å²	101.2	73%	0.732	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-32	171.1	-162.4	-94.1	0	0	0	111.8	E650 V652	E650-F654 VanDerWaalsContact O-CB 3.29Å; E650-F654 WeakPolarHBondContact O-CB 3.47Å; E650-F654 PolarHBondContact O-N 3.38Å; V652-F654 VanDerWaalsContact C-N 3.33Å; V652-F654 PolarHBondContact O-N 3.45Å
655	L	55.6	Low	64.5	Low	150 Å²	150	97.2 Å²	97.2	79%	0.785	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-24.6	178.5	-63.5	172.5	0	0	0	113.4	V652 A653	V652-L655 WeakPolarHBondContact O-CB 3.49Å; V652-L655 PolarHBondContact O-N 3.24Å; V652-L655 VanDerWaalsContact O-N 3.11Å; A653-L655 PolarHBondContact O-N 3.42Å
656	R	60.8	Low	65.4	Low	216 Å²	216	96.6 Å²	96.6	82%	0.815	51%	0.51	S	S	*	.			trans	-133.9	71.4	-176.4	-155	176.6	-173.4	-173.5	1.3	111.8	V652 A653	V652-R656 PolarHBondContact O-N 3.37Å; A653-R656 CarbonylContact O-C 3.46Å; A653-R656 PolarHBondContact O-N 3.02Å
657	K	68.6	Low	66.3	Low	80 Å²	80	93.8 Å²	93.8	35%	0.348	49%	0.487	S	S	.	.			trans	-57.9	130.4	167	-62.7	-177.1	-174	178.4	0	108.8	Y659	K657-Y659 HydrophobicContact CB-CE1 4.47Å; K657-Y659 HydrophobicContact CB-CE2 4.32Å; K657-Y659 HydrophobicContact CD-CE2 4.07Å; K657-Y659 PolarHBondContact O-N 3.48Å; K657-Y659 VanDerWaalsContact O-N 3.09Å
658	P	73.7	Confident	67.2	Low	100 Å²	100	91.3 Å²	91.3	65%	0.649	47%	0.474	S	S	*	.	S	Bend	trans	-74.3	5	-176.9	29.7	-35.5	0	0	0	113.8	F642	F642-P658 HydrophobicContact CD1-CG 3.82Å
659	Y	75.9	Confident	67.4	Low	44 Å²	44	96.6 Å²	96.6	17%	0.173	48%	0.482	C	S	.	.	S	Bend	trans	-130.3	156.6	-175.8	50.3	-99.1	0	0	0	112.7	F642 K657 L663 Q664 M667	F642-Y659 AromaticContact CD1-CD1 3.7Å; F642-Y659 HydrophobicContact CD1-CD1 3.7Å; F642-Y659 HydrophobicContact CD1-CE1 4.43Å; F642-Y659 HydrophobicContact CD2-CD1 4.48Å; F642-Y659 AromaticContact CE1-CD1 3.84Å; F642-Y659 HydrophobicContact CE1-CD1 3.84Å; F642-Y659 HydrophobicContact CE1-CG 4.35Å; F642-Y659 HydrophobicContact CG-CD1 4.03Å; F642-Y659 HydrophobicContact CG-CE1 4.38Å; F642-Y659 HydrophobicContact CZ-CD1 4.32Å; K657-Y659 HydrophobicContact CB-CE1 4.47Å; K657-Y659 HydrophobicContact CB-CE2 4.32Å; K657-Y659 HydrophobicContact CD-CE2 4.07Å; K657-Y659 PolarHBondContact O-N 3.48Å; K657-Y659 VanDerWaalsContact O-N 3.09Å; Y659-L663 HydrophobicContact CG-CD2 4.36Å; Y659-Q664 HydrophobicContact CD2-CB 3.92Å; Y659-Q664 HydrophobicContact CE2-CB 3.62Å; Y659-Q664 HydrophobicContact CE2-CG 3.86Å; Y659-M667 HydrophobicContact CE1-SD 4.48Å; Y659-M667 HydrophobicContact CE2-SD 4.31Å
660	S	82.5	Confident	67.3	Low	69 Å²	69	95.2 Å²	95.2	48%	0.483	49%	0.489	S	S	.	.			trans	-69.4	159	-179	70.2	0	0	0	0	112.3	Y662 L663 Q664	S660-Y662 PolarHBondContact O-N 3.32Å; S660-L663 PolarHBondContact O-N 2.92Å; S660-L663 VanDerWaalsContact O-N 3.13Å; S660-L663 PolarHBondContact OG-N 3.11Å; S660-Q664 PolarHBondContact O-N 2.96Å
661	K	83.2	Confident	67.6	Low	185 Å²	185	90.6 Å²	90.6	80%	0.804	47%	0.47	S	S	*	.	H	α-helix	trans	-56.9	-32.6	172.6	-69.8	-175.9	178.4	-179.6	0	112.5	Q664 A665	K661-Q664 WeakPolarHBondContact O-CB 3.37Å; K661-Q664 PolarHBondContact O-N 3.2Å; K661-A665 WeakPolarHBondContact O-CB 3.45Å; K661-A665 PolarHBondContact O-N 2.92Å
662	Y	82.9	Confident	68.7	Low	174 Å²	174	86.9 Å²	86.9	68%	0.682	44%	0.442	S	S	*	.	H	α-helix	trans	-63.5	-49.4	174.8	175.3	-99.4	0	0	0	111.6	S660 Q664 A665 L666	S660-Y662 PolarHBondContact O-N 3.32Å; Y662-Q664 VanDerWaalsContact C-N 3.27Å; Y662-Q664 PolarHBondContact O-N 2.99Å; Y662-A665 PolarHBondContact O-N 2.75Å; Y662-A665 VanDerWaalsContact O-N 3.17Å; Y662-L666 WeakPolarHBondContact O-CB 3.47Å; Y662-L666 PolarHBondContact O-N 3.2Å
663	L	81.4	Confident	70.2	Confident	35 Å²	35	82.5 Å²	82.5	18%	0.183	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-35	177.9	-165.7	69.7	0	0	0	111.3	I637 F642 Y659 S660 L666 M667	I637-L663 HydrophobicContact CG1-CD1 4.4Å; I637-L663 HydrophobicContact CG2-CD1 4.49Å; F642-L663 HydrophobicContact CE1-CD2 4.36Å; F642-L663 HydrophobicContact CE2-CD2 4.01Å; F642-L663 HydrophobicContact CZ-CD2 3.46Å; F642-L663 VanDerWaalsContact CZ-CD2 3.46Å; Y659-L663 HydrophobicContact CG-CD2 4.36Å; S660-L663 PolarHBondContact O-N 2.92Å; S660-L663 VanDerWaalsContact O-N 3.13Å; S660-L663 PolarHBondContact OG-N 3.11Å; L663-L666 HydrophobicContact CD1-CD2 4.08Å; L663-L666 WeakPolarHBondContact O-CB 3.13Å; L663-L666 PolarHBondContact O-N 3.49Å; L663-M667 HydrophobicContact CD2-CE 3.7Å; L663-M667 HydrophobicContact CG-CE 3.74Å; L663-M667 VanDerWaalsContact O-CG 3.26Å; L663-M667 WeakPolarHBondContact O-CG 3.47Å; L663-M667 PolarHBondContact O-N 3.47Å
664	Q	80.8	Confident	72	Confident	50 Å²	50	89.8 Å²	89.8	23%	0.234	44%	0.436	C	S	.	.	H	α-helix	trans	-60.2	-49.1	171.3	-171	179.2	-19.6	0	0	111.5	Y659 S660 K661 Y662 L666 M667 D668	Y659-Q664 HydrophobicContact CD2-CB 3.92Å; Y659-Q664 HydrophobicContact CE2-CB 3.62Å; Y659-Q664 HydrophobicContact CE2-CG 3.86Å; S660-Q664 PolarHBondContact O-N 2.96Å; K661-Q664 WeakPolarHBondContact O-CB 3.37Å; K661-Q664 PolarHBondContact O-N 3.2Å; Y662-Q664 VanDerWaalsContact C-N 3.27Å; Y662-Q664 PolarHBondContact O-N 2.99Å; Q664-L666 VanDerWaalsContact C-N 3.27Å; Q664-L666 PolarHBondContact O-N 2.89Å; Q664-M667 PolarHBondContact O-N 3.35Å; Q664-D668 WeakPolarHBondContact CG-OD2 3.42Å; Q664-D668 PolarHBondContact NE2-OD2 2.84Å; Q664-D668 VanDerWaalsContact O-CB 3.23Å; Q664-D668 WeakPolarHBondContact O-CB 3.35Å; Q664-D668 PolarHBondContact O-N 3.12Å
665	A	80.8	Confident	73.6	Confident	43 Å²	43	85.9 Å²	85.9	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-36.7	178.8	0	0	0	0	0	111.7	K661 Y662 Q669 A670	K661-A665 WeakPolarHBondContact O-CB 3.45Å; K661-A665 PolarHBondContact O-N 2.92Å; Y662-A665 PolarHBondContact O-N 2.75Å; Y662-A665 VanDerWaalsContact O-N 3.17Å; A665-Q669 PolarHBondContact O-N 3.37Å; A665-A670 PolarHBondContact O-N 3.04Å
666	L	78.5	Confident	75.2	Confident	32 Å²	32	80 Å²	80	17%	0.168	39%	0.39	C	S	.	.	I	π-helix	trans	-61.3	-44.1	173.7	-162.6	72.7	0	0	0	111.4	I637 Y662 L663 Q664	I637-L666 HydrophobicContact CG1-CD2 4.19Å; Y662-L666 WeakPolarHBondContact O-CB 3.47Å; Y662-L666 PolarHBondContact O-N 3.2Å; L663-L666 HydrophobicContact CD1-CD2 4.08Å; L663-L666 WeakPolarHBondContact O-CB 3.13Å; L663-L666 PolarHBondContact O-N 3.49Å; Q664-L666 VanDerWaalsContact C-N 3.27Å; Q664-L666 PolarHBondContact O-N 2.89Å
667	M	75.3	Confident	76.8	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	36%	0.36	C	S	.	.	I	π-helix	trans	-70.9	-46.6	176.2	-70.3	170.6	-178.6	0	0	113.6	I628 K629 I637 F642 Y659 L663 Q664	I628-M667 HydrophobicContact CG2-CG 4.12Å; K629-M667 HydrophobicContact CD-SD 4.4Å; K629-M667 HydrophobicContact CG-SD 3.99Å; I637-M667 HydrophobicContact CD1-CE 4.07Å; I637-M667 HydrophobicContact CD1-CG 3.61Å; I637-M667 HydrophobicContact CG2-CE 4.44Å; F642-M667 HydrophobicContact CD2-CE 3.54Å; F642-M667 HydrophobicContact CE2-CE 3.12Å; F642-M667 HydrophobicContact CZ-CE 3.9Å; Y659-M667 HydrophobicContact CE1-SD 4.48Å; Y659-M667 HydrophobicContact CE2-SD 4.31Å; L663-M667 HydrophobicContact CD2-CE 3.7Å; L663-M667 HydrophobicContact CG-CE 3.74Å; L663-M667 VanDerWaalsContact O-CG 3.26Å; L663-M667 WeakPolarHBondContact O-CG 3.47Å; L663-M667 PolarHBondContact O-N 3.47Å; Q664-M667 PolarHBondContact O-N 3.35Å
668	D	71	Confident	78	Confident	56 Å²	56	71.8 Å²	71.8	30%	0.299	36%	0.363	S	S	.	.	I	π-helix	trans	-91.1	-40.6	-164.7	-70.8	-11.8	0	0	0	112.6	K629 Q664	K629-D668 IonicContact NZ-OD1 3.6Å; K629-D668 PolarHBondContact NZ-OD1 3.07Å; K629-D668 VanDerWaalsContact NZ-OD1 3.16Å; Q664-D668 WeakPolarHBondContact CG-OD2 3.42Å; Q664-D668 PolarHBondContact NE2-OD2 2.84Å; Q664-D668 VanDerWaalsContact O-CB 3.23Å; Q664-D668 WeakPolarHBondContact O-CB 3.35Å; Q664-D668 PolarHBondContact O-N 3.12Å
669	Q	55.3	Low	78.9	Confident	174 Å²	174	73.3 Å²	73.3	81%	0.813	36%	0.359	S	S	*	.	I	π-helix	trans	-122.2	-15	-162	-132.6	176.8	0.1	0	0	116.5	A665	A665-Q669 PolarHBondContact O-N 3.37Å
670	A	47.3	Very low	79.9	Confident	80 Å²	80	71.2 Å²	71.2	66%	0.661	35%	0.351	S	S	*	.	I	π-helix	trans	-135.7	-19.2	-166.1	0	0	0	0	0	121.1	A665	A665-A670 PolarHBondContact O-N 3.04Å
671	S	57.9	Low	80.6	Confident	21 Å²	21	70.7 Å²	70.7	15%	0.147	34%	0.339	C	S	.	.	S	Bend	trans	-147.8	-7.7	-178	56.7	0	0	0	0	120.5	Q675	S671-Q675 WeakPolarHBondContact O-CG 3.36Å; S671-Q675 PolarHBondContact O-NE2 3.4Å; S671-Q675 PolarHBondContact O-OE1 2.86Å; S671-Q675 VanDerWaalsContact O-OE1 3.06Å
672	E	73.5	Confident	81.2	Confident	19 Å²	19	64.5 Å²	64.5	9%	0.089	32%	0.322	C	S	.	.	S	Bend	trans	-135.1	-53	-171.8	-64.1	-170.5	153.3	0	0	116.5	I628 S634 H636 R674 Q675 L676	I628-E672 HydrophobicContact CD1-CB 3.76Å; I628-E672 HydrophobicContact CG1-CB 4.38Å; S634-E672 WeakPolarHBondContact CB-OE2 3.35Å; S634-E672 PolarHBondContact OG-OE1 3.11Å; S634-E672 PolarHBondContact OG-OE2 3.36Å; H636-E672 VanDerWaalsContact CB-OE1 3.28Å; H636-E672 WeakPolarHBondContact CB-OE1 3.19Å; H636-E672 IonicContact CE1-OE1 3.88Å; H636-E672 IonicContact CG-OE1 3.89Å; H636-E672 PolarHBondContact N-OE1 3.49Å; H636-E672 IonicContact ND1-OE1 3.14Å; H636-E672 PolarHBondContact ND1-OE1 2.83Å; E672-R674 PolarHBondContact O-N 2.96Å; E672-Q675 PolarHBondContact O-N 3.36Å; E672-L676 WeakPolarHBondContact O-CB 3.49Å; E672-L676 PolarHBondContact O-N 3.05Å
673	A	85	Confident	81.9	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-49.4	-178.1	0	0	0	0	0	110.5	A624 Y625 I628 L676 I677	A624-A673 HydrophobicContact CB-CB 4.49Å; Y625-A673 HydrophobicContact CE1-CB 4.38Å; I628-A673 VanDerWaalsContact CD1-CA 3.41Å; I628-A673 HydrophobicContact CD1-CB 3.64Å; I628-A673 VanDerWaalsContact CD1-N 3.26Å; A673-L676 PolarHBondContact O-N 3.29Å; A673-I677 WeakPolarHBondContact O-CG1 3.31Å; A673-I677 PolarHBondContact O-N 3.37Å
674	R	88	Confident	82.6	Confident	183 Å²	183	56.8 Å²	56.8	69%	0.691	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-48	176.6	-176	179.2	172.4	100.6	12.7	112.1	E672 L676 I677 E678	E672-R674 PolarHBondContact O-N 2.96Å; R674-L676 VanDerWaalsContact C-N 3.28Å; R674-L676 PolarHBondContact O-N 3.48Å; R674-I677 PolarHBondContact O-N 2.79Å; R674-E678 HydrophobicContact CG-CG 4.32Å; R674-E678 IonicContact CZ-OE1 2.77Å; R674-E678 IonicContact NE-OE1 3.37Å; R674-E678 PolarHBondContact NE-OE1 3.24Å; R674-E678 IonicContact NH2-OE1 3.52Å; R674-E678 PolarHBondContact NH2-OE1 3Å; R674-E678 WeakPolarHBondContact O-CB 3.42Å; R674-E678 WeakPolarHBondContact O-CG 3.36Å; R674-E678 PolarHBondContact O-N 3.06Å
675	Q	88.2	Confident	83.4	Confident	85 Å²	85	56.8 Å²	56.8	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-37.2	179.8	-68	-172.6	13.1	0	0	112	S671 E672 E678 K679	S671-Q675 WeakPolarHBondContact O-CG 3.36Å; S671-Q675 PolarHBondContact O-NE2 3.4Å; S671-Q675 PolarHBondContact O-OE1 2.86Å; S671-Q675 VanDerWaalsContact O-OE1 3.06Å; E672-Q675 PolarHBondContact O-N 3.36Å; Q675-E678 PolarHBondContact O-N 3.18Å; Q675-K679 WeakPolarHBondContact O-CB 3.28Å; Q675-K679 WeakPolarHBondContact O-CG 3.34Å; Q675-K679 PolarHBondContact O-N 2.85Å
676	L	89.6	Confident	84.1	Confident	26 Å²	26	62.4 Å²	62.4	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-43.9	176.7	-174.3	70.6	0	0	0	111.2	L589 M592 A624 M627 E672 A673 R674 K679 A680	L589-L676 HydrophobicContact CD1-CD1 3.82Å; L589-L676 HydrophobicContact CD1-CG 4.48Å; M592-L676 HydrophobicContact CE-CD2 4.07Å; M592-L676 HydrophobicContact CE-CG 3.93Å; M592-L676 HydrophobicContact SD-CD2 3.93Å; M592-L676 HydrophobicContact SD-CG 4.09Å; A624-L676 HydrophobicContact CB-CD2 4.05Å; M627-L676 HydrophobicContact CB-CD2 4.38Å; M627-L676 HydrophobicContact CE-CD1 4.26Å; M627-L676 HydrophobicContact CE-CD2 3.93Å; M627-L676 HydrophobicContact SD-CD2 3.71Å; E672-L676 WeakPolarHBondContact O-CB 3.49Å; E672-L676 PolarHBondContact O-N 3.05Å; A673-L676 PolarHBondContact O-N 3.29Å; R674-L676 VanDerWaalsContact C-N 3.28Å; R674-L676 PolarHBondContact O-N 3.48Å; L676-K679 PolarHBondContact O-N 2.81Å; L676-A680 WeakPolarHBondContact O-CB 3.14Å; L676-A680 PolarHBondContact O-N 3.17Å
677	I	93.2	Very high	85	Confident	36 Å²	36	62 Å²	62	19%	0.185	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-43.3	175.3	-64.9	169.7	0	0	0	110.7	M592 L596 V620 A624 A673 R674 A680 Y681	M592-I677 HydrophobicContact CE-CB 4.37Å; M592-I677 HydrophobicContact CE-CG1 3.61Å; L596-I677 HydrophobicContact CD1-CG2 4.19Å; V620-I677 HydrophobicContact CG1-CD1 4.38Å; V620-I677 HydrophobicContact CG1-CG1 3.89Å; V620-I677 HydrophobicContact CG1-CG2 4.11Å; A624-I677 HydrophobicContact CB-CD1 4.09Å; A624-I677 HydrophobicContact CB-CG1 3.98Å; A673-I677 WeakPolarHBondContact O-CG1 3.31Å; A673-I677 PolarHBondContact O-N 3.37Å; R674-I677 PolarHBondContact O-N 2.79Å; I677-A680 PolarHBondContact O-N 3.23Å; I677-Y681 WeakPolarHBondContact O-CB 3.23Å; I677-Y681 PolarHBondContact O-N 3.37Å
678	E	93.5	Very high	85.9	Confident	89 Å²	89	61.9 Å²	61.9	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-40.9	175.9	-76.1	175.2	173.5	0	0	111.8	R674 Q675 Y681 A682	R674-E678 HydrophobicContact CG-CG 4.32Å; R674-E678 IonicContact CZ-OE1 2.77Å; R674-E678 IonicContact NE-OE1 3.37Å; R674-E678 PolarHBondContact NE-OE1 3.24Å; R674-E678 IonicContact NH2-OE1 3.52Å; R674-E678 PolarHBondContact NH2-OE1 3Å; R674-E678 WeakPolarHBondContact O-CB 3.42Å; R674-E678 WeakPolarHBondContact O-CG 3.36Å; R674-E678 PolarHBondContact O-N 3.06Å; Q675-E678 PolarHBondContact O-N 3.18Å; E678-Y681 PolarHBondContact O-N 2.97Å; E678-A682 VanDerWaalsContact O-CB 3.31Å; E678-A682 WeakPolarHBondContact O-CB 3.49Å; E678-A682 PolarHBondContact O-N 3.32Å
679	K	93.9	Very high	87.1	Confident	132 Å²	132	66.3 Å²	66.3	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-61.6	-45.6	173.5	-76.8	172.5	-175.4	-179.4	0	111.6	L589 Q675 L676 A682 L683	L589-K679 HydrophobicContact CD1-CB 4.45Å; Q675-K679 WeakPolarHBondContact O-CB 3.28Å; Q675-K679 WeakPolarHBondContact O-CG 3.34Å; Q675-K679 PolarHBondContact O-N 2.85Å; L676-K679 PolarHBondContact O-N 2.81Å; K679-A682 PolarHBondContact O-N 2.94Å; K679-L683 WeakPolarHBondContact O-CB 3.39Å; K679-L683 PolarHBondContact O-N 3.15Å
680	A	95.4	Very high	89.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.4	0	0	0	0	0	111.8	L589 M592 S593 L596 L676 I677 L683 A684	L589-A680 HydrophobicContact CD1-CB 3.99Å; M592-A680 HydrophobicContact CB-CB 3.72Å; M592-A680 HydrophobicContact CE-CB 4.39Å; S593-A680 WeakPolarHBondContact OG-CA 3.27Å; S593-A680 PolarHBondContact OG-O 2.78Å; L596-A680 HydrophobicContact CD1-CB 3.9Å; L676-A680 WeakPolarHBondContact O-CB 3.14Å; L676-A680 PolarHBondContact O-N 3.17Å; I677-A680 PolarHBondContact O-N 3.23Å; A680-L683 PolarHBondContact O-N 3.47Å; A680-A684 PolarHBondContact O-N 3.34Å
681	Y	97.2	Very high	91.3	Very high	58 Å²	58	61.6 Å²	61.6	23%	0.227	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-47.7	176.4	-174	-98.2	0	0	0	112	L596 R599 A600 A603 I677 E678 L683 A684 E685	L596-Y681 HydrophobicContact CB-CD2 4.28Å; L596-Y681 HydrophobicContact CD1-CD2 4.49Å; R599-Y681 HydrophobicContact CG-CE2 4.08Å; A600-Y681 HydrophobicContact CB-CD2 4.48Å; A600-Y681 HydrophobicContact CB-CE2 3.84Å; A603-Y681 WeakPolarHBondContact CB-OH 3.12Å; I677-Y681 WeakPolarHBondContact O-CB 3.23Å; I677-Y681 PolarHBondContact O-N 3.37Å; E678-Y681 PolarHBondContact O-N 2.97Å; Y681-L683 VanDerWaalsContact C-N 3.26Å; Y681-L683 PolarHBondContact O-N 2.85Å; Y681-A684 WeakPolarHBondContact O-CB 3.31Å; Y681-A684 PolarHBondContact O-N 3.37Å; Y681-E685 WeakPolarHBondContact CE1-OE2 3.42Å; Y681-E685 WeakPolarHBondContact O-CB 3.36Å; Y681-E685 PolarHBondContact O-N 3.48Å
682	A	97.2	Very high	93	Very high	54 Å²	54	65.8 Å²	65.8	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-35.2	178.9	0	0	0	0	0	112	E678 K679 K686	E678-A682 VanDerWaalsContact O-CB 3.31Å; E678-A682 WeakPolarHBondContact O-CB 3.49Å; E678-A682 PolarHBondContact O-N 3.32Å; K679-A682 PolarHBondContact O-N 2.94Å; A682-K686 VanDerWaalsContact O-CB 3.26Å; A682-K686 WeakPolarHBondContact O-CB 3.13Å; A682-K686 PolarHBondContact O-N 3.1Å
683	L	96.5	Very high	94	Very high	48 Å²	48	68.7 Å²	68.7	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-50.7	173.5	-167.2	162.2	0	0	0	110.7	L549 K679 A680 Y681 E685 K686 I687	L549-L683 HydrophobicContact CD1-CD2 4.44Å; L549-L683 HydrophobicContact CD2-CD2 3.58Å; L549-L683 HydrophobicContact CG-CD2 4.41Å; K679-L683 WeakPolarHBondContact O-CB 3.39Å; K679-L683 PolarHBondContact O-N 3.15Å; A680-L683 PolarHBondContact O-N 3.47Å; Y681-L683 VanDerWaalsContact C-N 3.26Å; Y681-L683 PolarHBondContact O-N 2.85Å; L683-E685 VanDerWaalsContact C-N 3.34Å; L683-E685 PolarHBondContact O-N 2.93Å; L683-K686 PolarHBondContact O-N 3.17Å; L683-I687 HydrophobicContact CD2-CD1 3.43Å; L683-I687 VanDerWaalsContact CD2-CD1 3.43Å; L683-I687 HydrophobicContact CD2-CG1 4.17Å; L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 3Å; L683-I687 VanDerWaalsContact O-N 3.08Å
684	A	96.4	Very high	94.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.4	-47.2	177.7	0	0	0	0	0	111.6	V545 S593 A600 A680 Y681 K686 I687 L688	V545-A684 HydrophobicContact CG1-CB 4.3Å; V545-A684 HydrophobicContact CG2-CB 4.22Å; S593-A684 WeakPolarHBondContact O-CB 3.38Å; A600-A684 HydrophobicContact CB-CB 4.23Å; A680-A684 PolarHBondContact O-N 3.34Å; Y681-A684 WeakPolarHBondContact O-CB 3.31Å; Y681-A684 PolarHBondContact O-N 3.37Å; A684-K686 PolarHBondContact O-N 3.45Å; A684-I687 PolarHBondContact O-N 3.26Å; A684-L688 WeakPolarHBondContact O-CG 3.29Å; A684-L688 PolarHBondContact O-N 2.87Å
685	E	97.1	Very high	94.7	Very high	50 Å²	50	61.4 Å²	61.4	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-42.4	177.7	-172.1	-178.9	168.7	0	0	112.2	Y681 L683 I687 L688 R689	Y681-E685 WeakPolarHBondContact CE1-OE2 3.42Å; Y681-E685 WeakPolarHBondContact O-CB 3.36Å; Y681-E685 PolarHBondContact O-N 3.48Å; L683-E685 VanDerWaalsContact C-N 3.34Å; L683-E685 PolarHBondContact O-N 2.93Å; E685-I687 VanDerWaalsContact C-N 3.32Å; E685-I687 PolarHBondContact O-N 3.46Å; E685-L688 PolarHBondContact O-N 2.68Å; E685-R689 HydrophobicContact CG-CG 4.35Å; E685-R689 WeakPolarHBondContact O-CB 3.36Å; E685-R689 VanDerWaalsContact O-CG 3.29Å; E685-R689 WeakPolarHBondContact O-CG 3.43Å; E685-R689 PolarHBondContact O-N 3.39Å; E685-R689 IonicContact OE1-CZ 2.69Å; E685-R689 IonicContact OE1-NE 2.9Å; E685-R689 PolarHBondContact OE1-NE 3.41Å; E685-R689 IonicContact OE1-NH2 2.99Å; E685-R689 PolarHBondContact OE1-NH2 3.34Å
686	K	97.3	Very high	95.1	Very high	160 Å²	160	61.1 Å²	61.1	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-60.3	-41.4	177	-178.3	-178	177.9	-176.7	0	112	A682 L683 A684 S690	A682-K686 VanDerWaalsContact O-CB 3.26Å; A682-K686 WeakPolarHBondContact O-CB 3.13Å; A682-K686 PolarHBondContact O-N 3.1Å; L683-K686 PolarHBondContact O-N 3.17Å; A684-K686 PolarHBondContact O-N 3.45Å; K686-S690 PolarHBondContact O-N 3.46Å; K686-S690 PolarHBondContact O-OG 3.38Å
687	I	95.6	Very high	95.3	Very high	23 Å²	23	63.2 Å²	63.2	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-48.3	177.2	-68.4	176.5	0	0	0	110.4	V545 M548 L549 L683 A684 E685 R689 S690 K691	V545-I687 HydrophobicContact CG1-CD1 4.39Å; V545-I687 HydrophobicContact CG2-CG2 4.42Å; M548-I687 HydrophobicContact CB-CD1 4.32Å; M548-I687 HydrophobicContact CB-CG2 3.69Å; M548-I687 HydrophobicContact CG-CG2 3.78Å; L549-I687 HydrophobicContact CD2-CD1 3.8Å; L549-I687 HydrophobicContact CG-CD1 3.92Å; L683-I687 HydrophobicContact CD2-CD1 3.43Å; L683-I687 VanDerWaalsContact CD2-CD1 3.43Å; L683-I687 HydrophobicContact CD2-CG1 4.17Å; L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 3Å; L683-I687 VanDerWaalsContact O-N 3.08Å; A684-I687 PolarHBondContact O-N 3.26Å; E685-I687 VanDerWaalsContact C-N 3.32Å; E685-I687 PolarHBondContact O-N 3.46Å; I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.18Å; I687-S690 PolarHBondContact O-N 3.49Å; I687-S690 PolarHBondContact O-OG 3Å; I687-K691 WeakPolarHBondContact O-CB 3.34Å; I687-K691 PolarHBondContact O-N 3.23Å
688	L	95.8	Very high	95.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-35.7	-178.2	-66.6	173.3	0	0	0	112.6	L544 V545 G597 A600 A601 L604 A684 E685 K691 R692 L695	L544-L688 HydrophobicContact CB-CD2 4.28Å; L544-L688 HydrophobicContact CD2-CD2 3.93Å; L544-L688 HydrophobicContact CG-CD2 4.37Å; V545-L688 HydrophobicContact CG2-CD1 4.1Å; V545-L688 HydrophobicContact CG2-CD2 3.79Å; V545-L688 HydrophobicContact CG2-CG 3.71Å; G597-L688 WeakPolarHBondContact O-CD1 3.48Å; A600-L688 HydrophobicContact CB-CD1 3.66Å; A601-L688 HydrophobicContact CB-CD1 3.93Å; L604-L688 HydrophobicContact CD1-CB 4.02Å; A684-L688 WeakPolarHBondContact O-CG 3.29Å; A684-L688 PolarHBondContact O-N 2.87Å; E685-L688 PolarHBondContact O-N 2.68Å; L688-K691 CarbonylContact O-C 3.48Å; L688-K691 PolarHBondContact O-N 3.43Å; L688-R692 WeakPolarHBondContact O-CA 3.31Å; L688-R692 PolarHBondContact O-N 2.77Å; L688-R692 VanDerWaalsContact O-N 3.13Å; L688-L695 HydrophobicContact CD2-CD1 4.29Å; L688-L695 HydrophobicContact CD2-CD2 4.33Å
689	R	96.2	Very high	95.4	Very high	148 Å²	148	57.4 Å²	57.4	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-66	-39.9	174.2	-74.3	-179.3	-178.9	-76.9	-1.6	112.5	L604 E685 I687 K691	L604-R689 HydrophobicContact CD1-CB 4.34Å; L604-R689 HydrophobicContact CD1-CG 3.5Å; E685-R689 HydrophobicContact CG-CG 4.35Å; E685-R689 WeakPolarHBondContact O-CB 3.36Å; E685-R689 VanDerWaalsContact O-CG 3.29Å; E685-R689 WeakPolarHBondContact O-CG 3.43Å; E685-R689 PolarHBondContact O-N 3.39Å; E685-R689 IonicContact OE1-CZ 2.69Å; E685-R689 IonicContact OE1-NE 2.9Å; E685-R689 PolarHBondContact OE1-NE 3.41Å; E685-R689 IonicContact OE1-NH2 2.99Å; E685-R689 PolarHBondContact OE1-NH2 3.34Å; I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.18Å; R689-K691 VanDerWaalsContact C-N 3.33Å
690	S	95.7	Very high	95.4	Very high	86 Å²	86	57 Å²	57	60%	0.601	28%	0.279	S	S	*	.	H	α-helix	trans	-74.2	-25.9	179.6	69.5	0	0	0	0	112.9	K686 I687	K686-S690 PolarHBondContact O-N 3.46Å; K686-S690 PolarHBondContact O-OG 3.38Å; I687-S690 PolarHBondContact O-N 3.49Å; I687-S690 PolarHBondContact O-OG 3Å
691	K	93.6	Very high	95.4	Very high	69 Å²	69	58.4 Å²	58.4	30%	0.3	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	35.7	-176.1	-65.2	-68.5	-175.2	-177	0	113.4	L544 M548 I687 L688 R689 S693 E694 L695	L544-K691 HydrophobicContact CD2-CB 4Å; L544-K691 WeakPolarHBondContact CD2-O 3.2Å; M548-K691 HydrophobicContact CE-CB 4.49Å; M548-K691 HydrophobicContact CE-CD 3.91Å; M548-K691 HydrophobicContact CE-CG 3.91Å; M548-K691 HydrophobicContact SD-CG 4.28Å; I687-K691 WeakPolarHBondContact O-CB 3.34Å; I687-K691 PolarHBondContact O-N 3.23Å; L688-K691 CarbonylContact O-C 3.48Å; L688-K691 PolarHBondContact O-N 3.43Å; R689-K691 VanDerWaalsContact C-N 3.33Å; K691-S693 VanDerWaalsContact C-N 3.33Å; K691-S693 PolarHBondContact O-N 2.62Å; K691-E694 WeakPolarHBondContact CA-OE2 3.29Å; K691-E694 VanDerWaalsContact CD-CD 3.41Å; K691-E694 HydrophobicContact CD-CG 4.41Å; K691-E694 WeakPolarHBondContact CD-OE1 3.24Å; K691-E694 WeakPolarHBondContact CE-OE1 3.45Å; K691-E694 IonicContact NZ-OE1 2.76Å; K691-E694 PolarHBondContact NZ-OE1 3.14Å; K691-E694 PolarHBondContact O-N 2.66Å; K691-L695 PolarHBondContact O-N 2.71Å; K691-L695 VanDerWaalsContact O-N 3.08Å
692	R	94.2	Very high	95.1	Very high	109 Å²	109	55.6 Å²	55.6	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-39.8	-176.6	-176	176.7	178.5	130.7	3.6	112.8	L604 L688 E694 L695 E696	L604-R692 HydrophobicContact CD2-CG 4.43Å; L688-R692 WeakPolarHBondContact O-CA 3.31Å; L688-R692 PolarHBondContact O-N 2.77Å; L688-R692 VanDerWaalsContact O-N 3.13Å; R692-E694 VanDerWaalsContact C-N 3.34Å; R692-E694 PolarHBondContact O-N 2.7Å; R692-L695 WeakPolarHBondContact O-CB 3.48Å; R692-L695 PolarHBondContact O-N 2.71Å; R692-E696 IonicContact CZ-OE1 3.67Å; R692-E696 IonicContact NE-OE1 3.78Å; R692-E696 PolarHBondContact NE-OE1 3.15Å; R692-E696 IonicContact NH2-OE1 2.81Å; R692-E696 WeakPolarHBondContact O-CG 3.4Å; R692-E696 PolarHBondContact O-N 2.86Å
693	S	94.5	Very high	94.9	Very high	81 Å²	81	55.5 Å²	55.5	57%	0.566	27%	0.267	S	S	*	.	H	α-helix	trans	-60.8	-42.7	177.8	33.4	0	0	0	0	112.5	K691 E696 L697	K691-S693 VanDerWaalsContact C-N 3.33Å; K691-S693 PolarHBondContact O-N 2.62Å; S693-E696 PolarHBondContact O-N 3.13Å; S693-L697 WeakPolarHBondContact O-CB 3.42Å; S693-L697 PolarHBondContact O-N 3.35Å
694	E	93.9	Very high	94.7	Very high	35 Å²	35	59 Å²	59	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-36.5	178.3	-64.9	90.7	147.2	0	0	111.2	L544 K691 R692 L697 L698 I717	L544-E694 HydrophobicContact CD1-CB 4.18Å; L544-E694 HydrophobicContact CD2-CB 4.49Å; K691-E694 WeakPolarHBondContact CA-OE2 3.29Å; K691-E694 VanDerWaalsContact CD-CD 3.41Å; K691-E694 HydrophobicContact CD-CG 4.41Å; K691-E694 WeakPolarHBondContact CD-OE1 3.24Å; K691-E694 WeakPolarHBondContact CE-OE1 3.45Å; K691-E694 IonicContact NZ-OE1 2.76Å; K691-E694 PolarHBondContact NZ-OE1 3.14Å; K691-E694 PolarHBondContact O-N 2.66Å; R692-E694 VanDerWaalsContact C-N 3.34Å; R692-E694 PolarHBondContact O-N 2.7Å; E694-L697 PolarHBondContact O-N 2.65Å; E694-L698 WeakPolarHBondContact O-CB 3.4Å; E694-L698 VanDerWaalsContact O-CG 3.31Å; E694-L698 WeakPolarHBondContact O-CG 3.35Å; E694-L698 PolarHBondContact O-N 3.07Å; E694-I717 HydrophobicContact CB-CG2 3.93Å; E694-I717 HydrophobicContact CG-CG2 4.21Å
695	L	94.5	Very high	94.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-47.2	173.3	-179.4	65.5	0	0	0	111.7	Y537 L544 A601 V605 L688 K691 R692 T699	Y537-L695 HydrophobicContact CD1-CG 4.34Å; L544-L695 HydrophobicContact CD2-CB 3.69Å; L544-L695 HydrophobicContact CD2-CD1 4.3Å; A601-L695 HydrophobicContact CB-CD1 4.44Å; A601-L695 HydrophobicContact CB-CD2 4.24Å; V605-L695 HydrophobicContact CG2-CD2 4.44Å; L688-L695 HydrophobicContact CD2-CD1 4.29Å; L688-L695 HydrophobicContact CD2-CD2 4.33Å; K691-L695 PolarHBondContact O-N 2.71Å; K691-L695 VanDerWaalsContact O-N 3.08Å; R692-L695 WeakPolarHBondContact O-CB 3.48Å; R692-L695 PolarHBondContact O-N 2.71Å; L695-T699 WeakPolarHBondContact O-CB 3.5Å; L695-T699 PolarHBondContact O-N 3.28Å; L695-T699 PolarHBondContact O-OG1 3.47Å
696	E	95.6	Very high	94.1	Very high	80 Å²	80	67.1 Å²	67.1	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-41.3	178.8	-72	173.2	-170.6	0	0	111.4	R692 S693 T699 K700	R692-E696 IonicContact CZ-OE1 3.67Å; R692-E696 IonicContact NE-OE1 3.78Å; R692-E696 PolarHBondContact NE-OE1 3.15Å; R692-E696 IonicContact NH2-OE1 2.81Å; R692-E696 WeakPolarHBondContact O-CG 3.4Å; R692-E696 PolarHBondContact O-N 2.86Å; S693-E696 PolarHBondContact O-N 3.13Å; E696-T699 PolarHBondContact O-N 3.15Å; E696-K700 WeakPolarHBondContact O-CB 3.25Å; E696-K700 PolarHBondContact O-N 3.04Å
697	L	94.7	Very high	93.7	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-49.5	176.4	-178.7	63.5	0	0	0	112.3	S693 E694 T699 K700 M701 L716	S693-L697 WeakPolarHBondContact O-CB 3.42Å; S693-L697 PolarHBondContact O-N 3.35Å; E694-L697 PolarHBondContact O-N 2.65Å; L697-T699 VanDerWaalsContact C-N 3.33Å; L697-T699 PolarHBondContact O-N 3.24Å; L697-K700 PolarHBondContact O-N 3.01Å; L697-M701 WeakPolarHBondContact O-CG 3.48Å; L697-M701 PolarHBondContact O-N 3.18Å; L697-M701 VanDerWaalsContact O-N 3.1Å; L697-L716 WeakPolarHBondContact CD2-O 3.39Å
698	L	93.7	Very high	93.4	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-46.9	177.2	-77.7	174.1	0	0	0	111.2	L544 E694 K700 M701 L702 L708 I713 L716 I717	L544-L698 HydrophobicContact CB-CD1 4.26Å; L544-L698 HydrophobicContact CD1-CD1 4.22Å; E694-L698 WeakPolarHBondContact O-CB 3.4Å; E694-L698 VanDerWaalsContact O-CG 3.31Å; E694-L698 WeakPolarHBondContact O-CG 3.35Å; E694-L698 PolarHBondContact O-N 3.07Å; L698-K700 PolarHBondContact O-N 3.27Å; L698-M701 PolarHBondContact O-N 3.05Å; L698-L702 VanDerWaalsContact O-CB 3.24Å; L698-L702 WeakPolarHBondContact O-CB 3.45Å; L698-L702 PolarHBondContact O-N 2.89Å; L698-L708 HydrophobicContact CD2-CD1 4.45Å; L698-I713 HydrophobicContact CD2-CG1 4.49Å; L698-I713 HydrophobicContact CD2-CG2 4.3Å; L698-L716 HydrophobicContact CD2-CD1 4.47Å; L698-I717 HydrophobicContact CD1-CD1 4.18Å; L698-I717 HydrophobicContact CD1-CG2 4.21Å; L698-I717 HydrophobicContact CD2-CG2 3.92Å; L698-I717 HydrophobicContact CG-CG2 3.77Å
699	T	94.3	Very high	93	Very high	1 Å²	1	62 Å²	62	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44.7	-178.5	-56.9	0	0	0	0	111.1	A536 Y537 S540 L695 E696 L697 M701 L702 L703	A536-T699 HydrophobicContact CB-CG2 3.72Å; Y537-T699 HydrophobicContact CD1-CG2 3.81Å; Y537-T699 WeakPolarHBondContact CD1-OG1 3.38Å; Y537-T699 HydrophobicContact CD2-CG2 3.8Å; Y537-T699 HydrophobicContact CE1-CG2 3.88Å; Y537-T699 HydrophobicContact CE2-CG2 3.86Å; Y537-T699 HydrophobicContact CG-CG2 3.77Å; S540-T699 WeakPolarHBondContact CB-OG1 3.31Å; S540-T699 PolarHBondContact OG-OG1 2.91Å; L695-T699 WeakPolarHBondContact O-CB 3.5Å; L695-T699 PolarHBondContact O-N 3.28Å; L695-T699 PolarHBondContact O-OG1 3.47Å; E696-T699 PolarHBondContact O-N 3.15Å; L697-T699 VanDerWaalsContact C-N 3.33Å; L697-T699 PolarHBondContact O-N 3.24Å; T699-M701 PolarHBondContact O-N 3.21Å; T699-L702 PolarHBondContact O-N 3.01Å; T699-L703 HydrophobicContact CG2-CD1 4.2Å; T699-L703 WeakPolarHBondContact O-CG 3.39Å; T699-L703 PolarHBondContact O-N 2.89Å
700	K	95.2	Very high	92.5	Very high	123 Å²	123	56.4 Å²	56.4	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-47.5	178.2	-174.2	-179.2	177.4	-175.8	0	111.6	E696 L697 L698 L702 L703 E704	E696-K700 WeakPolarHBondContact O-CB 3.25Å; E696-K700 PolarHBondContact O-N 3.04Å; L697-K700 PolarHBondContact O-N 3.01Å; L698-K700 PolarHBondContact O-N 3.27Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 3.45Å; K700-L703 PolarHBondContact O-N 3.34Å; K700-E704 WeakPolarHBondContact CE-OE1 3.46Å; K700-E704 WeakPolarHBondContact O-CG 3.18Å; K700-E704 PolarHBondContact O-N 3.4Å; K700-E704 VanDerWaalsContact O-N 3.17Å
701	M	93.5	Very high	92.1	Very high	30 Å²	30	57.9 Å²	57.9	15%	0.148	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-35.9	178.2	-67.5	-66.5	104.8	0	0	112.2	L697 L698 T699 L703 E704 R705 L708 L716	L697-M701 WeakPolarHBondContact O-CG 3.48Å; L697-M701 PolarHBondContact O-N 3.18Å; L697-M701 VanDerWaalsContact O-N 3.1Å; L698-M701 PolarHBondContact O-N 3.05Å; T699-M701 PolarHBondContact O-N 3.21Å; M701-L703 VanDerWaalsContact C-N 3.33Å; M701-E704 VanDerWaalsContact CE-OE2 3.23Å; M701-E704 WeakPolarHBondContact CE-OE2 3.19Å; M701-E704 PolarHBondContact O-N 3.04Å; M701-R705 PolarHBondContact O-N 2.85Å; M701-L708 HydrophobicContact CB-CD1 4.17Å; M701-L708 HydrophobicContact CB-CD2 4.24Å; M701-L716 HydrophobicContact CB-CD1 3.8Å; M701-L716 HydrophobicContact CG-CD1 3.76Å; M701-L716 HydrophobicContact CG-CD2 3.68Å; M701-L716 HydrophobicContact CG-CG 4.38Å; M701-L716 HydrophobicContact SD-CD2 4.15Å
702	L	92.8	Very high	91.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-33.6	176.9	-171.9	61.2	0	0	0	111.9	A536 E539 I558 I560 L698 T699 K700 E706 L708	A536-L702 HydrophobicContact CB-CD2 4.16Å; A536-L702 HydrophobicContact CB-CG 4.46Å; E539-L702 HydrophobicContact CB-CD2 4.19Å; I558-L702 HydrophobicContact CB-CD1 4.24Å; I558-L702 HydrophobicContact CG2-CD1 3.95Å; I558-L702 HydrophobicContact CG2-CD2 3.68Å; I558-L702 HydrophobicContact CG2-CG 4.5Å; I560-L702 HydrophobicContact CD1-CG 4.44Å; I560-L702 WeakPolarHBondContact CD1-O 3.31Å; I560-L702 HydrophobicContact CG1-CG 4.44Å; I560-L702 HydrophobicContact CG2-CD1 4.25Å; I560-L702 HydrophobicContact CG2-CD2 3.58Å; I560-L702 HydrophobicContact CG2-CG 3.7Å; L698-L702 VanDerWaalsContact O-CB 3.24Å; L698-L702 WeakPolarHBondContact O-CB 3.45Å; L698-L702 PolarHBondContact O-N 2.89Å; T699-L702 PolarHBondContact O-N 3.01Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 3.45Å; L702-E706 WeakPolarHBondContact O-CA 3.39Å; L702-E706 PolarHBondContact O-N 3.11Å; L702-L708 HydrophobicContact CB-CD1 4.01Å; L702-L708 HydrophobicContact CD1-CD1 4.26Å; L702-L708 HydrophobicContact CD1-CG 4.06Å
703	L	92.5	Very high	91.6	Very high	52 Å²	52	51.8 Å²	51.8	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-69.9	-36.4	173.8	-73.2	166.2	0	0	0	112.9	K532 E533 A536 I560 T699 K700 M701	K532-L703 HydrophobicContact CG-CD2 3.99Å; E533-L703 HydrophobicContact CB-CD1 4.38Å; E533-L703 HydrophobicContact CB-CD2 4.48Å; E533-L703 HydrophobicContact CG-CD1 4.04Å; A536-L703 HydrophobicContact CB-CD1 4.42Å; A536-L703 HydrophobicContact CB-CD2 3.76Å; A536-L703 HydrophobicContact CB-CG 3.78Å; I560-L703 HydrophobicContact CD1-CD2 4.09Å; T699-L703 HydrophobicContact CG2-CD1 4.2Å; T699-L703 WeakPolarHBondContact O-CG 3.39Å; T699-L703 PolarHBondContact O-N 2.89Å; K700-L703 PolarHBondContact O-N 3.34Å; M701-L703 VanDerWaalsContact C-N 3.33Å
704	E	92.7	Very high	91.3	Very high	121 Å²	121	50 Å²	50	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-72.8	-45.9	178.2	-71.2	175.4	-165.4	0	0	112.3	K700 M701	K700-E704 WeakPolarHBondContact CE-OE1 3.46Å; K700-E704 WeakPolarHBondContact O-CG 3.18Å; K700-E704 PolarHBondContact O-N 3.4Å; K700-E704 VanDerWaalsContact O-N 3.17Å; M701-E704 VanDerWaalsContact CE-OE2 3.23Å; M701-E704 WeakPolarHBondContact CE-OE2 3.19Å; M701-E704 PolarHBondContact O-N 3.04Å
705	R	90.7	Very high	91.2	Very high	131 Å²	131	55.8 Å²	55.8	49%	0.494	27%	0.265	S	S	.	.	H	α-helix	trans	-96.2	-12	-174.7	-62.9	-169.9	-179.2	-165.9	3.6	114.7	M701 S707 L708 Q712	M701-R705 PolarHBondContact O-N 2.85Å; R705-S707 WeakPolarHBondContact CB-O 3.31Å; R705-S707 PolarHBondContact O-N 3.46Å; R705-L708 HydrophobicContact CB-CD2 4.34Å; R705-Q712 VanDerWaalsContact NH1-NE2 3.14Å
706	E	88.9	Confident	90.9	Very high	90 Å²	90	58.1 Å²	58.1	42%	0.421	28%	0.278	S	S	.	.	S	Bend	trans	61.8	-19.9	-173	-50	-168.6	137.8	0	0	115.8	K532 S559 I560 V561 L702	K532-E706 IonicContact NZ-OE1 2.74Å; K532-E706 PolarHBondContact NZ-OE1 3Å; S559-E706 WeakPolarHBondContact CA-O 3.49Å; I560-E706 HydrophobicContact CG1-CB 4.21Å; I560-E706 VanDerWaalsContact CG1-O 3.31Å; I560-E706 WeakPolarHBondContact CG1-O 3.13Å; I560-E706 PolarHBondContact N-O 2.69Å; V561-E706 HydrophobicContact CG2-CB 4.05Å; L702-E706 WeakPolarHBondContact O-CA 3.39Å; L702-E706 PolarHBondContact O-N 3.11Å
707	S	88.4	Confident	90.5	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	149.4	172.2	64.5	0	0	0	0	111.3	I558 R705	I558-S707 CarbonylContact O-C 3.58Å; I558-S707 WeakPolarHBondContact O-CA 3.42Å; I558-S707 WeakPolarHBondContact O-CB 3.44Å; R705-S707 WeakPolarHBondContact CB-O 3.31Å; R705-S707 PolarHBondContact O-N 3.46Å
708	L	90.6	Very high	90.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	178.4	-64.5	174.6	0	0	0	109.8	K557 I558 L698 M701 L702 R705 Q712 I713 L716	K557-L708 CarbonylContact C-O 3.54Å; K557-L708 VanDerWaalsContact CA-O 3.31Å; K557-L708 WeakPolarHBondContact CA-O 3.44Å; K557-L708 WeakPolarHBondContact CG-O 3.33Å; I558-L708 PolarHBondContact N-O 3.36Å; I558-L708 PolarHBondContact O-N 3.42Å; L698-L708 HydrophobicContact CD2-CD1 4.45Å; M701-L708 HydrophobicContact CB-CD1 4.17Å; M701-L708 HydrophobicContact CB-CD2 4.24Å; L702-L708 HydrophobicContact CB-CD1 4.01Å; L702-L708 HydrophobicContact CD1-CD1 4.26Å; L702-L708 HydrophobicContact CD1-CG 4.06Å; R705-L708 HydrophobicContact CB-CD2 4.34Å; L708-Q712 HydrophobicContact CD2-CB 4.5Å; L708-I713 HydrophobicContact CB-CD1 4.33Å; L708-I713 HydrophobicContact CB-CG1 4.03Å; L708-L716 HydrophobicContact CD1-CD1 4.17Å; L708-L716 HydrophobicContact CD2-CD1 4.25Å
709	T	87.6	Confident	89.8	Confident	39 Å²	39	58 Å²	58	24%	0.239	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	166.2	174	70.9	0	0	0	0	111.7	E711 Q712 I713	T709-E711 VanDerWaalsContact C-N 3.3Å; T709-E711 WeakPolarHBondContact CB-OE2 3.27Å; T709-E711 PolarHBondContact O-N 3.38Å; T709-E711 PolarHBondContact OG1-OE2 3.01Å; T709-Q712 VanDerWaalsContact N-OE1 3.07Å; T709-Q712 PolarHBondContact O-N 2.93Å; T709-Q712 WeakPolarHBondContact OG1-CG 3.45Å; T709-I713 WeakPolarHBondContact O-CD1 3.43Å; T709-I713 VanDerWaalsContact O-CG1 3.31Å; T709-I713 WeakPolarHBondContact O-CG1 3.49Å; T709-I713 PolarHBondContact O-N 2.95Å
710	Y	86	Confident	89.3	Confident	32 Å²	32	58.3 Å²	58.3	13%	0.125	29%	0.292	C	S	.	.	H	α-helix	trans	-49.8	-48.8	176.3	176.9	-101.9	0	0	0	112.7	W547 L555 L556 Q712 I713 V714 L727	W547-Y710 AromaticContact CH2-CD2 3.63Å; W547-Y710 HydrophobicContact CH2-CD2 3.63Å; W547-Y710 AromaticContact CH2-CE2 3.31Å; W547-Y710 HydrophobicContact CH2-CE2 3.31Å; W547-Y710 HydrophobicContact CZ2-CE2 4.44Å; W547-Y710 AromaticContact CZ3-CD2 3.7Å; W547-Y710 HydrophobicContact CZ3-CD2 3.7Å; W547-Y710 AromaticContact CZ3-CE2 3.59Å; W547-Y710 HydrophobicContact CZ3-CE2 3.59Å; L555-Y710 WeakPolarHBondContact O-CD2 3.47Å; L556-Y710 PolarHBondContact O-N 3.17Å; Y710-Q712 VanDerWaalsContact C-N 3.3Å; Y710-Q712 PolarHBondContact O-N 3.45Å; Y710-I713 PolarHBondContact O-N 3.15Å; Y710-I713 VanDerWaalsContact O-N 3.15Å; Y710-V714 HydrophobicContact CD1-CG2 4.17Å; Y710-V714 HydrophobicContact CD2-CG2 4.44Å; Y710-V714 HydrophobicContact CE1-CG2 3.74Å; Y710-V714 HydrophobicContact CE2-CG2 4.09Å; Y710-V714 WeakPolarHBondContact O-CG2 3.46Å; Y710-V714 PolarHBondContact O-N 3.04Å; Y710-L727 HydrophobicContact CE1-CD1 4.26Å
711	E	86.4	Confident	88.5	Confident	116 Å²	116	55.7 Å²	55.7	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-40.1	-177.2	-56.1	75.2	-159.1	0	0	111.3	T709 V714 E715	T709-E711 VanDerWaalsContact C-N 3.3Å; T709-E711 WeakPolarHBondContact CB-OE2 3.27Å; T709-E711 PolarHBondContact O-N 3.38Å; T709-E711 PolarHBondContact OG1-OE2 3.01Å; E711-V714 PolarHBondContact O-N 3.47Å; E711-E715 PolarHBondContact O-N 3.33Å
712	Q	89.3	Confident	87.9	Confident	49 Å²	49	59.8 Å²	59.8	23%	0.229	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-36.9	177.4	-64.6	173.8	-17.5	0	0	111.7	R705 L708 T709 Y710 E715 L716	R705-Q712 VanDerWaalsContact NH1-NE2 3.14Å; L708-Q712 HydrophobicContact CD2-CB 4.5Å; T709-Q712 VanDerWaalsContact N-OE1 3.07Å; T709-Q712 PolarHBondContact O-N 2.93Å; T709-Q712 WeakPolarHBondContact OG1-CG 3.45Å; Y710-Q712 VanDerWaalsContact C-N 3.3Å; Y710-Q712 PolarHBondContact O-N 3.45Å; Q712-E715 PolarHBondContact O-N 3Å; Q712-L716 WeakPolarHBondContact O-CB 3.29Å; Q712-L716 WeakPolarHBondContact O-CG 3.26Å; Q712-L716 PolarHBondContact O-N 3.04Å
713	I	88.5	Confident	87	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-42.6	176	-65.8	157.4	0	0	0	110.2	W547 L555 I558 L698 L708 T709 Y710 E715 L716 I717	W547-I713 HydrophobicContact CD2-CG2 4.32Å; W547-I713 HydrophobicContact CE3-CG2 4.15Å; W547-I713 HydrophobicContact CH2-CB 4.41Å; W547-I713 HydrophobicContact CH2-CG2 3.85Å; W547-I713 HydrophobicContact CZ2-CG2 4.03Å; W547-I713 HydrophobicContact CZ3-CG2 3.92Å; L555-I713 HydrophobicContact CD2-CD1 3.68Å; L555-I713 HydrophobicContact CG-CD1 4.18Å; I558-I713 HydrophobicContact CD1-CD1 3.71Å; I558-I713 HydrophobicContact CD1-CG1 4.31Å; I558-I713 HydrophobicContact CG1-CD1 3.97Å; L698-I713 HydrophobicContact CD2-CG1 4.49Å; L698-I713 HydrophobicContact CD2-CG2 4.3Å; L708-I713 HydrophobicContact CB-CD1 4.33Å; L708-I713 HydrophobicContact CB-CG1 4.03Å; T709-I713 WeakPolarHBondContact O-CD1 3.43Å; T709-I713 VanDerWaalsContact O-CG1 3.31Å; T709-I713 WeakPolarHBondContact O-CG1 3.49Å; T709-I713 PolarHBondContact O-N 2.95Å; Y710-I713 PolarHBondContact O-N 3.15Å; Y710-I713 VanDerWaalsContact O-N 3.15Å; I713-E715 VanDerWaalsContact C-N 3.29Å; I713-E715 PolarHBondContact O-N 3.42Å; I713-L716 PolarHBondContact O-N 3.47Å; I713-L716 VanDerWaalsContact O-N 3.15Å; I713-I717 HydrophobicContact CG2-CD1 3.84Å; I713-I717 HydrophobicContact CG2-CG1 3.82Å; I713-I717 WeakPolarHBondContact O-CG1 3.48Å; I713-I717 PolarHBondContact O-N 3.08Å
714	V	88.5	Confident	85.6	Confident	43 Å²	43	63.6 Å²	63.6	26%	0.261	35%	0.345	S	S	.	.	H	α-helix	trans	-59.9	-41.1	174.7	175.3	0	0	0	0	111.1	W547 Y710 E711 L716 G718	W547-V714 HydrophobicContact CH2-CG2 3.65Å; W547-V714 HydrophobicContact CZ2-CG2 3.77Å; Y710-V714 HydrophobicContact CD1-CG2 4.17Å; Y710-V714 HydrophobicContact CD2-CG2 4.44Å; Y710-V714 HydrophobicContact CE1-CG2 3.74Å; Y710-V714 HydrophobicContact CE2-CG2 4.09Å; Y710-V714 WeakPolarHBondContact O-CG2 3.46Å; Y710-V714 PolarHBondContact O-N 3.04Å; E711-V714 PolarHBondContact O-N 3.47Å; V714-L716 VanDerWaalsContact C-N 3.31Å; V714-L716 PolarHBondContact O-N 3.28Å; V714-G718 CarbonylContact O-C 3.48Å; V714-G718 WeakPolarHBondContact O-CA 3.39Å; V714-G718 PolarHBondContact O-N 3.27Å
715	E	90.4	Very high	84.3	Confident	158 Å²	158	59.1 Å²	59.1	74%	0.738	32%	0.324	S	S	*	.	H	α-helix	trans	-63.6	-36.5	176.1	-171	-180	-175.7	0	0	112.2	E711 Q712 I713	E711-E715 PolarHBondContact O-N 3.33Å; Q712-E715 PolarHBondContact O-N 3Å; I713-E715 VanDerWaalsContact C-N 3.29Å; I713-E715 PolarHBondContact O-N 3.42Å
716	L	88.7	Confident	82.7	Confident	49 Å²	49	58.7 Å²	58.7	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-81.2	-46.8	-175.3	-72.2	170.9	0	0	0	114.4	L697 L698 M701 L708 Q712 I713 V714	L697-L716 WeakPolarHBondContact CD2-O 3.39Å; L698-L716 HydrophobicContact CD2-CD1 4.47Å; M701-L716 HydrophobicContact CB-CD1 3.8Å; M701-L716 HydrophobicContact CG-CD1 3.76Å; M701-L716 HydrophobicContact CG-CD2 3.68Å; M701-L716 HydrophobicContact CG-CG 4.38Å; M701-L716 HydrophobicContact SD-CD2 4.15Å; L708-L716 HydrophobicContact CD1-CD1 4.17Å; L708-L716 HydrophobicContact CD2-CD1 4.25Å; Q712-L716 WeakPolarHBondContact O-CB 3.29Å; Q712-L716 WeakPolarHBondContact O-CG 3.26Å; Q712-L716 PolarHBondContact O-N 3.04Å; I713-L716 PolarHBondContact O-N 3.47Å; I713-L716 VanDerWaalsContact O-N 3.15Å; V714-L716 VanDerWaalsContact C-N 3.31Å; V714-L716 PolarHBondContact O-N 3.28Å
717	I	88.2	Confident	80.9	Confident	29 Å²	29	57.4 Å²	57.4	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-116.9	2.3	-172.9	60.8	159.3	0	0	0	113.6	L544 W547 E694 L698 I713	L544-I717 HydrophobicContact CD1-CD1 4.25Å; W547-I717 HydrophobicContact CB-CD1 4.45Å; W547-I717 HydrophobicContact CD2-CD1 4.09Å; W547-I717 HydrophobicContact CG-CD1 3.77Å; E694-I717 HydrophobicContact CB-CG2 3.93Å; E694-I717 HydrophobicContact CG-CG2 4.21Å; L698-I717 HydrophobicContact CD1-CD1 4.18Å; L698-I717 HydrophobicContact CD1-CG2 4.21Å; L698-I717 HydrophobicContact CD2-CG2 3.92Å; L698-I717 HydrophobicContact CG-CG2 3.77Å; I713-I717 HydrophobicContact CG2-CD1 3.84Å; I713-I717 HydrophobicContact CG2-CG1 3.82Å; I713-I717 WeakPolarHBondContact O-CG1 3.48Å; I713-I717 PolarHBondContact O-N 3.08Å
718	G	87.9	Confident	78.9	Confident	22 Å²	22	59.6 Å²	59.6	23%	0.227	34%	0.335	C	S	.	.			trans	81.9	177	-175.7	0	0	0	0	0	113.6	W547 V714	W547-G718 WeakPolarHBondContact CZ2-O 3.36Å; W547-G718 PolarHBondContact NE1-O 3.39Å; V714-G718 CarbonylContact O-C 3.48Å; V714-G718 WeakPolarHBondContact O-CA 3.39Å; V714-G718 PolarHBondContact O-N 3.27Å
719	P	85.6	Confident	77	Confident	97 Å²	97	61.3 Å²	61.3	63%	0.63	34%	0.344	S	S	*	.	S	Bend	trans	-64.3	156.4	179.3	28.1	-34.8	0	0	0	111.8
720	P	82.2	Confident	75	Confident	8 Å²	8	68.7 Å²	68.7	5%	0.052	37%	0.373	C	S	.	.			trans	-55.7	139.8	176.2	22.5	-33.6	0	0	0	112.2	W547 H722 G723	W547-P720 HydrophobicContact CD2-CB 4.26Å; W547-P720 HydrophobicContact CZ2-CB 4.35Å; W547-P720 HydrophobicContact CZ2-CG 4.38Å; P720-H722 PolarHBondContact O-N 3.06Å; P720-G723 WeakPolarHBondContact CG-O 3.09Å; P720-G723 PolarHBondContact O-N 2.99Å
721	A	79.4	Confident	73.2	Confident	67 Å²	67	71.4 Å²	71.4	55%	0.554	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.5	-170.9	0	0	0	0	0	114.1	M548	M548-A721 HydrophobicContact SD-CB 4.2Å
722	H	80.8	Confident	71.2	Confident	117 Å²	117	73.1 Å²	73.1	54%	0.542	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	22.1	-180	-66.1	-64.5	0	0	0	113.5	M548 K550 P720	M548-H722 PolarHBondContact O-CD2 3.13Å; K550-H722 HydrophobicContact CB-CB 4.35Å; K550-H722 HydrophobicContact CG-CB 4.22Å; P720-H722 PolarHBondContact O-N 3.06Å
723	G	72.9	Confident	68.8	Low	31 Å²	31	79.1 Å²	79.1	32%	0.32	43%	0.427	S	S	.	.	S	Bend	trans	84.6	166.9	-177.4	0	0	0	0	0	113	P720 K725	P720-G723 WeakPolarHBondContact CG-O 3.09Å; P720-G723 PolarHBondContact O-N 2.99Å; G723-K725 PolarHBondContact O-N 3.48Å
724	P	64.1	Low	66.6	Low	101 Å²	101	87.2 Å²	87.2	66%	0.656	46%	0.462	S	S	*	.			trans	-59.4	114	-179	25.2	-32.7	0	0	0	109
725	K	66.1	Low	64.2	Low	26 Å²	26	90.6 Å²	90.6	11%	0.113	49%	0.485	C	S	.	.			trans	-61.1	137.5	173.2	-70.9	166.4	176	177.9	0	108.1	G546 L549 T552 A554 G723 L727	G546-K725 PolarHBondContact O-NZ 2.74Å; L549-K725 WeakPolarHBondContact O-CE 3.5Å; L549-K725 PolarHBondContact O-NZ 3.4Å; T552-K725 WeakPolarHBondContact O-CD 3.38Å; T552-K725 PolarHBondContact OG1-NZ 2.9Å; A554-K725 HydrophobicContact CB-CB 3.83Å; G723-K725 PolarHBondContact O-N 3.48Å; K725-L727 PolarHBondContact O-N 3.33Å
726	E	56.2	Low	61.9	Low	123 Å²	123	91.9 Å²	91.9	58%	0.575	49%	0.491	S	S	*	.			trans	-48.6	104.7	-176.3	-67.8	175.8	155.5	0	0	110.3	K580 T728	K580-E726 IonicContact NZ-OE2 3.9Å; E726-T728 PolarHBondContact O-N 3.01Å
727	L	50.5	Low	59.4	Low	63 Å²	63	98.4 Å²	98.4	33%	0.33	52%	0.521	S	S	.	.	S	Bend	trans	-78.7	-4.6	174.9	-71.9	169.7	0	0	0	111.9	D475 A554 L556 Y710 K725	D475-L727 VanDerWaalsContact CG-O 3.27Å; A554-L727 HydrophobicContact CB-CD2 3.89Å; L556-L727 HydrophobicContact CD2-CD2 4.11Å; Y710-L727 HydrophobicContact CE1-CD1 4.26Å; K725-L727 PolarHBondContact O-N 3.33Å
728	T	47.9	Very low	56.9	Low	80 Å²	80	102.9 Å²	102.9	49%	0.491	55%	0.554	S	S	.	*	S	Bend	trans	-148.2	117.5	-176.8	3.5	0	0	0	0	105.9	M447 E726 K730	M447-T728 HydrophobicContact CE-CG2 4.1Å; E726-T728 PolarHBondContact O-N 3.01Å; T728-K730 PolarHBondContact O-N 2.95Å
729	N	50.2	Low	54.5	Low	36 Å²	36	104.4 Å²	104.4	19%	0.193	57%	0.57	C	S	.	*			trans	-60.8	105.6	166.2	-64.3	-37	0	0	0	106.3	M447 T578 E731	M447-N729 HydrophobicContact SD-CB 4.03Å; T578-N729 VanDerWaalsContact CG2-OD1 3.26Å; T578-N729 WeakPolarHBondContact CG2-OD1 3.02Å; N729-E731 VanDerWaalsContact C-N 3.27Å; N729-E731 PolarHBondContact O-N 3.23Å
730	K	45.3	Very low	52.1	Low	195 Å²	195	104 Å²	104	85%	0.848	57%	0.569	S	S	*	*			trans	-68.4	98.5	162.7	-76.3	-175.2	178.9	179.1	0	105.5	T728 L732	T728-K730 PolarHBondContact O-N 2.95Å; K730-L732 PolarHBondContact O-N 3.33Å
731	E	48.5	Very low	50.1	Low	89 Å²	89	111.6 Å²	111.6	42%	0.416	61%	0.61	S	S	.	*			trans	-50.1	132.4	163.7	-75.6	177.2	175	0	0	107.1	S448 N729 Q733	S448-E731 PolarHBondContact N-OE1 3.08Å; N729-E731 VanDerWaalsContact C-N 3.27Å; N729-E731 PolarHBondContact O-N 3.23Å; E731-Q733 PolarHBondContact O-N 3.42Å
732	L	43.8	Very low	48.1	Very low	152 Å²	152	117 Å²	117	80%	0.796	62%	0.62	S	S	*	*			trans	-60.6	96.7	160.9	-87	153.2	0	0	0	105.5	K730 F734	K730-L732 PolarHBondContact O-N 3.33Å; L732-F734 VanDerWaalsContact C-N 3.26Å; L732-F734 PolarHBondContact O-N 3.17Å
733	Q	38.7	Very low	45.8	Very low	175 Å²	175	120.8 Å²	120.8	82%	0.818	64%	0.638	S	S	*	*			trans	-64.5	98.6	165.8	-69.7	-178.5	-8.7	0	0	105.5	E731	E731-Q733 PolarHBondContact O-N 3.42Å
734	F	41.7	Very low	44.4	Very low	170 Å²	170	130.6 Å²	130.6	75%	0.746	68%	0.681	S	S	*	*			trans	-56	130.9	157.4	-67.4	-80.7	0	0	0	105.4	L732 E736	L732-F734 VanDerWaalsContact C-N 3.26Å; L732-F734 PolarHBondContact O-N 3.17Å; F734-E736 PolarHBondContact O-N 3.24Å
735	P	39.2	Very low	43.4	Very low	115 Å²	115	132.1 Å²	132.1	75%	0.747	68%	0.683	S	S	*	*			trans	-50.8	121.1	179	19.7	-30	0	0	0	107.1	E737	P735-E737 PolarHBondContact O-N 2.81Å
736	E	41.2	Very low	42.2	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	71%	0.713	S	S	*	*			trans	-50.6	113.7	168	-69.4	-179.3	172.9	0	0	104.6	F734 S738	F734-E736 PolarHBondContact O-N 3.24Å; E736-S738 VanDerWaalsContact C-N 3.3Å; E736-S738 PolarHBondContact O-N 3.43Å
737	E	37.6	Very low	41.4	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	72%	0.72	S	S	*	*			trans	-53.7	111.8	167.3	-80.1	-167	165.1	0	0	104.2	P735 G739	P735-E737 PolarHBondContact O-N 2.81Å; E737-G739 PolarHBondContact O-N 2.96Å
738	S	35.7	Very low	40.9	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	74%	0.743	S	S	*	*			trans	-67.3	64.6	163.5	39.9	0	0	0	0	106.4	E736 S740	E736-S738 VanDerWaalsContact C-N 3.3Å; E736-S738 PolarHBondContact O-N 3.43Å; S738-S740 PolarHBondContact O-N 3.27Å
739	G	36.1	Very low	40.5	Very low	54 Å²	54	146.9 Å²	146.9	56%	0.557	76%	0.759	S	S	*	*			trans	-73.4	87.4	172.9	0	0	0	0	0	106	E737 N741	E737-G739 PolarHBondContact O-N 2.96Å; G739-N741 PolarHBondContact O-N 2.95Å; G739-N741 VanDerWaalsContact O-N 3.09Å
740	S	35.7	Very low	39.8	Very low	87 Å²	87	154.3 Å²	154.3	61%	0.608	80%	0.797	S	S	*	*			trans	-36	119.8	148.6	58.6	0	0	0	0	107.9	S738 K742	S738-S740 PolarHBondContact O-N 3.27Å; S740-K742 PolarHBondContact O-N 2.98Å
741	N	40.1	Very low	39.4	Very low	169 Å²	169	151.4 Å²	151.4	90%	0.904	79%	0.793	S	S	*	*			trans	-52.7	88.2	161.6	-81.1	-31.5	0	0	0	107.6	G739 E743	G739-N741 PolarHBondContact O-N 2.95Å; G739-N741 VanDerWaalsContact O-N 3.09Å; N741-E743 PolarHBondContact O-N 3.06Å
742	K	37.3	Very low	38.7	Very low	179 Å²	179	156.2 Å²	156.2	78%	0.778	82%	0.822	S	S	*	*			trans	-82.9	106.1	157.3	-81.9	-174	176.3	178.6	0	104.2	S740 I744	S740-K742 PolarHBondContact O-N 2.98Å; K742-I744 PolarHBondContact O-N 2.76Å
743	E	33.6	Very low	38.3	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	82%	0.824	S	S	*	*			trans	-37.7	119.3	165.3	-63.7	176.2	150	0	0	109.1	N741	N741-E743 PolarHBondContact O-N 3.06Å
744	I	42.8	Very low	38.3	Very low	238 Å²	238	154.8 Å²	154.8	100%	1.221	83%	0.825	S	S	*	*			trans	-93.6	0	165.5	-64.9	177.3	0	0	0	107.6	K742	K742-I744 PolarHBondContact O-N 2.76Å

Retrieved 744 of 744 residues in 1065.1 ms (Link to these results)

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