A0A096NDY0_PAPAN Loading...

dual-specificity kinase

AlphaFold DB (A0A2K5XA25), UniProt , Accession A0A096NDY0, Species PAPAN (Papio anubis, Olive baboon), Gene CLK4, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.7	Very low	27.4	Very low	241 Å²	241	169.8 Å²	169.8	100%	1.187	84%	0.838	S	S	*	*				0	97.2	0	-74.6	167.6	167.5	0	0	107
2	R	30	Very low	27.5	Very low	236 Å²	236	177.1 Å²	177.1	89%	0.891	85%	0.849	S	S	*	*				45.7	115.2	93.7	-83.4	-167.7	-179.9	-163	1.1	113.5
3	H	26	Very low	27.3	Very low	208 Å²	208	173.8 Å²	173.8	96%	0.963	84%	0.84	S	S	*	*			trans	-153.7	148.2	132	-92.9	-55.1	0	0	0	110.9
4	S	24.8	Very low	27.3	Very low	99 Å²	99	167.3 Å²	167.3	69%	0.692	82%	0.821	S	S	*	*			trans	-122.1	155.9	-170.3	90.6	0	0	0	0	111.4
5	K	29.5	Very low	27.3	Very low	186 Å²	186	169.5 Å²	169.5	81%	0.809	82%	0.816	S	S	*	*			trans	92.7	137.9	145.2	-82.1	179.7	179.9	-177.7	0	119.4
6	R	25.5	Very low	27.2	Very low	230 Å²	230	167.4 Å²	167.4	87%	0.868	81%	0.805	S	S	*	*			trans	81.7	144.9	155.5	-79.1	-179.2	177	179.1	-1.5	116.2
7	T	25.2	Very low	27.1	Very low	115 Å²	115	163.2 Å²	163.2	71%	0.706	80%	0.797	S	S	*	*			cis	-179.7	152.8	-26.3	16.4	0	0	0	0	103.7
8	H	23.1	Very low	27.1	Very low	186 Å²	186	168.3 Å²	168.3	86%	0.861	81%	0.807	S	S	*	*			trans	79.8	121.1	153.5	-115.3	-60.8	0	0	0	120.7
9	C	28.9	Very low	27	Very low	108 Å²	108	162.9 Å²	162.9	73%	0.73	80%	0.8	S	S	*	*			trans	-71.3	166	157.9	-56.9	0	0	0	0	111
10	P	35.1	Very low	27	Very low	111 Å²	111	163.4 Å²	163.4	72%	0.721	80%	0.799	S	S	*	*				-150.3	159.8	93	35.9	-16.6	0	0	0	117.3
11	D	25.8	Very low	27	Very low	148 Å²	148	163.2 Å²	163.2	79%	0.791	80%	0.797	S	S	*	*			trans	40.2	126.9	144.5	-65.2	-23.2	0	0	0	122.6
12	W	27.9	Very low	26.9	Very low	257 Å²	257	156.1 Å²	156.1	97%	0.973	77%	0.771	S	S	*	*			trans	-135.7	145.2	139.4	-87.5	91	0	0	0	111.9
13	D	25.9	Very low	26.7	Very low	135 Å²	135	153.9 Å²	153.9	72%	0.722	76%	0.764	S	S	*	*			trans	-97.4	161.9	-159.6	-157.8	-14.4	0	0	0	111.4
14	S	26.4	Very low	26.7	Very low	82 Å²	82	154.5 Å²	154.5	57%	0.573	76%	0.758	S	S	*	*			trans	76.1	114.8	141.2	-74.3	0	0	0	0	122.8
15	R	27.2	Very low	26.6	Very low	200 Å²	200	153 Å²	153	76%	0.755	76%	0.759	S	S	*	*				90.5	123.9	116.5	-81.1	-176.5	174.2	-139.4	9.9	122
16	E	26.7	Very low	26.5	Very low	136 Å²	136	150.4 Å²	150.4	64%	0.636	76%	0.763	S	S	*	*			trans	72.4	106.8	133.3	-67.7	171.2	-158.9	0	0	117.2
17	S	24.8	Very low	26.6	Very low	97 Å²	97	148 Å²	148	68%	0.678	76%	0.761	S	S	*	*				91.6	143.1	67.2	-76	0	0	0	0	113.5
18	W	26.5	Very low	26.7	Very low	255 Å²	255	152.8 Å²	152.8	97%	0.966	77%	0.773	S	S	*	*			trans	81.4	130.5	171.3	-45.5	97.8	0	0	0	115.8
19	G	26.1	Very low	26.9	Very low	65 Å²	65	155 Å²	155	67%	0.67	77%	0.774	S	S	*	*			cis	178.1	168.6	5.7	0	0	0	0	0	109.5
20	H	26.6	Very low	26.8	Very low	172 Å²	172	160.2 Å²	160.2	80%	0.796	78%	0.784	S	S	*	*			trans	6.3	145.9	150.5	-82.1	-108.9	0	0	0	118.6
21	E	26.8	Very low	26.5	Very low	161 Å²	161	165.6 Å²	165.6	75%	0.752	79%	0.79	S	S	*	*			cis	-169.8	164.3	20.9	-139.2	160.5	-150.7	0	0	109.6
22	S	26.3	Very low	26.6	Very low	91 Å²	91	168 Å²	168	64%	0.636	79%	0.788	S	S	*	*			trans	-37.2	159.2	173.6	47.1	0	0	0	0	119.7
23	Y	24.6	Very low	26.4	Very low	190 Å²	190	161.7 Å²	161.7	75%	0.745	78%	0.783	S	S	*	*				-173.7	131.1	123.1	-112.9	-96.8	0	0	0	112.5
24	R	26.2	Very low	26.4	Very low	220 Å²	220	162.2 Å²	162.2	83%	0.83	78%	0.781	S	S	*	*			trans	33	133.1	149.5	-60.9	-179.3	-175.6	-162.1	0.1	119.8
25	G	23.9	Very low	26.4	Very low	69 Å²	69	163.6 Å²	163.6	71%	0.711	79%	0.79	S	S	*	*			cis	115.4	119.7	31.2	0	0	0	0	0	109.8
26	S	26.5	Very low	26.3	Very low	130 Å²	130	159.1 Å²	159.1	91%	0.909	79%	0.789	S	S	*	*			trans	-175.6	143.9	151.1	-89.9	0	0	0	0	115.2
27	H	27.1	Very low	26.3	Very low	179 Å²	179	159.8 Å²	159.8	83%	0.829	80%	0.803	S	S	*	*			trans	-74.1	161	-170	-65.9	-69.9	0	0	0	116.7
28	K	28.5	Very low	26.4	Very low	217 Å²	217	164 Å²	164	94%	0.943	81%	0.812	S	S	*	*				-161	126.3	122.1	-106.5	166.9	-171.7	177.3	0	113
29	R	26.2	Very low	26.5	Very low	232 Å²	232	161.4 Å²	161.4	88%	0.875	81%	0.811	S	S	*	*			trans	-84.2	156.8	172.9	-80.8	172.8	160.8	166.3	-4.5	111.3
30	K	27.7	Very low	26.5	Very low	217 Å²	217	166.2 Å²	166.2	94%	0.943	82%	0.821	S	S	*	*			trans	-139.1	132.6	141.4	-108.7	-179.2	179.2	179.8	0	111.1
31	R	28.5	Very low	26.5	Very low	224 Å²	224	168.9 Å²	168.9	85%	0.845	82%	0.824	S	S	*	*			trans	-77.8	137.7	179.7	-90.6	172.2	152.4	177.9	-8.2	110.5
32	R	27.1	Very low	26.4	Very low	200 Å²	200	170.7 Å²	170.7	76%	0.755	83%	0.832	S	S	*	*				65.6	132.2	86.9	-75.7	-167.9	179.9	-172.4	5.1	116.8	H34	R32-H34 PolarHBondContact NH1-CE1 3.45Å; R32-H34 PolarHBondContact NH1-NE2 3.24Å; R32-H34 VanDerWaalsContact NH1-NE2 3.14Å
33	S	24.3	Very low	26.3	Very low	124 Å²	124	171.8 Å²	171.8	87%	0.867	84%	0.839	S	S	*	*			trans	-138	150.8	143.3	38.5	0	0	0	0	109.8
34	H	26.4	Very low	26.3	Very low	146 Å²	146	172.6 Å²	172.6	68%	0.676	85%	0.846	S	S	*	*			trans	-128.2	152.7	-167.6	-80.7	-11	0	0	0	110.7	R32	R32-H34 PolarHBondContact NH1-CE1 3.45Å; R32-H34 PolarHBondContact NH1-NE2 3.24Å; R32-H34 VanDerWaalsContact NH1-NE2 3.14Å
35	S	25.6	Very low	26.3	Very low	111 Å²	111	167.6 Å²	167.6	78%	0.776	84%	0.842	S	S	*	*			trans	-169.4	117.1	132	65.9	0	0	0	0	106.6
36	S	25.6	Very low	26.3	Very low	105 Å²	105	170.5 Å²	170.5	73%	0.734	85%	0.85	S	S	*	*				88.6	108.5	62	73.9	0	0	0	0	113.4
37	T	28	Very low	26.3	Very low	151 Å²	151	172.6 Å²	172.6	93%	0.926	85%	0.845	S	S	*	*			trans	-160.5	138.5	132	27	0	0	0	0	109.6
38	Q	26.9	Very low	26.3	Very low	186 Å²	186	173.1 Å²	173.1	87%	0.869	85%	0.848	S	S	*	*			trans	-74.2	151.2	-177.8	-71.8	163.3	-62.7	0	0	112
39	E	27.3	Very low	26.2	Very low	200 Å²	200	172.9 Å²	172.9	94%	0.935	85%	0.847	S	S	*	*				-160.1	153.7	128.8	-112.5	173.5	-166.1	0	0	112.6
40	N	26.6	Very low	26.2	Very low	165 Å²	165	168.5 Å²	168.5	88%	0.882	83%	0.834	S	S	*	*			trans	-75.9	151.8	-158.1	-89.7	-37.8	0	0	0	115.8
41	R	26.3	Very low	26.3	Very low	228 Å²	228	167.1 Å²	167.1	86%	0.86	83%	0.832	S	S	*	*			trans	-69.3	143.4	169.7	-70.1	174.3	172.1	173.9	-3.5	112.5
42	H	25.3	Very low	26.4	Very low	199 Å²	199	160.8 Å²	160.8	92%	0.921	82%	0.821	S	S	*	*			trans	-145.4	137.2	134.9	-105.3	43.4	0	0	0	110.1
43	C	23.9	Very low	26.3	Very low	115 Å²	115	154.9 Å²	154.9	78%	0.777	81%	0.805	S	S	*	*			trans	-87.8	149.9	-166.4	-60.8	0	0	0	0	113.8
44	K	24.3	Very low	26.5	Very low	206 Å²	206	153.4 Å²	153.4	90%	0.896	79%	0.794	S	S	*	*			trans	-171.3	156	134.6	-102	171.2	-172.2	-174.9	0	111.3
45	P	27.3	Very low	26.7	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-90.7	152.5	-141.3	34.2	-35.6	0	0	0	115.6
46	C	23.5	Very low	27	Very low	131 Å²	131	156.8 Å²	156.8	89%	0.885	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.3	127.5	176.7	-149.3	0	0	0	0	110.8
47	H	26.3	Very low	27.1	Very low	173 Å²	173	157.3 Å²	157.3	80%	0.801	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.3	125.7	171.1	-86	-85.6	0	0	0	110.9	F49	H47-F49 PolarHBondContact O-N 3.28Å
48	Q	27.1	Very low	27.4	Very low	190 Å²	190	155.1 Å²	155.1	89%	0.888	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.2	120.9	161	-84.1	175.5	-23.6	0	0	109
49	F	25.8	Very low	27.7	Very low	213 Å²	213	148.5 Å²	148.5	93%	0.934	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-71.6	137.3	171.4	-105.7	-99.6	0	0	0	110.5	H47	H47-F49 PolarHBondContact O-N 3.28Å
50	K	27.4	Very low	27.7	Very low	139 Å²	139	148.1 Å²	148.1	60%	0.604	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-80.7	133	-176.1	-68.4	167.9	166.6	-175.6	0	112	S52 D53	K50-S52 VanDerWaalsContact C-N 3.25Å; K50-D53 WeakPolarHBondContact CD-OD2 3.46Å; K50-D53 IonicContact NZ-OD1 3.97Å; K50-D53 PolarHBondContact NZ-OD1 3.14Å; K50-D53 IonicContact NZ-OD2 2.71Å
51	E	29.6	Very low	27.9	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	71%	0.706	S	S	*	*	S	Bend	trans	-83.2	1.2	158.2	-83.3	-179.3	146.6	0	0	112.7
52	S	30.2	Very low	28.4	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	68%	0.682	S	S	*	*	S	Bend	trans	-90.5	-12.1	-171.8	-38.5	0	0	0	0	115.1	K50	K50-S52 VanDerWaalsContact C-N 3.25Å
53	D	25.3	Very low	29	Very low	77 Å²	77	129.4 Å²	129.4	41%	0.412	66%	0.659	S	S	.	*	S	Bend	trans	-87.9	-12.2	-173.5	-71.5	-21.7	0	0	0	113.1	K50 L57	K50-D53 WeakPolarHBondContact CD-OD2 3.46Å; K50-D53 IonicContact NZ-OD1 3.97Å; K50-D53 PolarHBondContact NZ-OD1 3.14Å; K50-D53 IonicContact NZ-OD2 2.71Å; D53-L57 WeakPolarHBondContact O-CG 3.43Å; D53-L57 PolarHBondContact O-N 2.7Å
54	C	28.4	Very low	29.3	Very low	93 Å²	93	130.8 Å²	130.8	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-73.3	-41	-177.3	-161.4	0	0	0	0	112.6	Y56 E58	C54-Y56 VanDerWaalsContact C-N 3.31Å; C54-Y56 PolarHBondContact O-N 2.83Å; C54-E58 PolarHBondContact O-N 3.45Å
55	H	30.3	Very low	29.9	Very low	147 Å²	147	128.3 Å²	128.3	68%	0.681	64%	0.638	S	S	*	*	H	α-helix	trans	-70.5	-25.8	178.1	-78.5	-69.1	0	0	0	113.6
56	Y	32	Very low	30.4	Very low	181 Å²	181	125.7 Å²	125.7	71%	0.71	62%	0.618	S	S	*	*	H	α-helix	trans	-81.1	-34.3	-177.8	-165.1	-97.2	0	0	0	112.6	C54	C54-Y56 VanDerWaalsContact C-N 3.31Å; C54-Y56 PolarHBondContact O-N 2.83Å
57	L	28.4	Very low	30.9	Very low	116 Å²	116	126.2 Å²	126.2	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-77.1	-31.9	177.5	-68.8	171.2	0	0	0	112.5	D53 R60 S61	D53-L57 WeakPolarHBondContact O-CG 3.43Å; D53-L57 PolarHBondContact O-N 2.7Å; L57-R60 PolarHBondContact O-N 3.3Å; L57-S61 PolarHBondContact O-N 2.97Å
58	E	33.4	Very low	31.2	Very low	105 Å²	105	125.8 Å²	125.8	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-43.2	177.3	-134.3	171.9	-169.3	0	0	111.2	C54 R60 S61 L62	C54-E58 PolarHBondContact O-N 3.45Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.91Å; E58-S61 PolarHBondContact O-N 3.37Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E58-S61 PolarHBondContact O-OG 3.18Å; E58-L62 WeakPolarHBondContact O-CG 3.08Å; E58-L62 PolarHBondContact O-N 3.1Å
59	A	32.6	Very low	31.7	Very low	47 Å²	47	118.2 Å²	118.2	39%	0.388	56%	0.559	S	S	.	*	H	α-helix	trans	-62.5	-32.8	177.3	0	0	0	0	0	114.1	L62	A59-L62 PolarHBondContact O-N 2.93Å
60	R	28.7	Very low	32.4	Very low	191 Å²	191	114.4 Å²	114.4	72%	0.721	54%	0.539	S	S	*	.	H	α-helix	trans	-71.8	-31.2	176.5	-153	177.8	-174.9	-178.2	1.8	112.2	L57 E58	L57-R60 PolarHBondContact O-N 3.3Å; E58-R60 VanDerWaalsContact C-N 3.33Å; E58-R60 PolarHBondContact O-N 2.91Å
61	S	29.2	Very low	32.7	Very low	53 Å²	53	115 Å²	115	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-76.6	-21.6	175.2	86.8	0	0	0	0	113.6	L57 E58	L57-S61 PolarHBondContact O-N 2.97Å; E58-S61 PolarHBondContact O-N 3.37Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E58-S61 PolarHBondContact O-OG 3.18Å
62	L	37.5	Very low	32.9	Very low	68 Å²	68	111.2 Å²	111.2	36%	0.356	52%	0.516	S	S	.	.	H	α-helix	trans	-71.4	-40.1	175.1	-67.1	171.6	0	0	0	111.3	E58 A59 E64 R65 D66	E58-L62 WeakPolarHBondContact O-CG 3.08Å; E58-L62 PolarHBondContact O-N 3.1Å; A59-L62 PolarHBondContact O-N 2.93Å; L62-E64 PolarHBondContact O-N 3.32Å; L62-R65 WeakPolarHBondContact O-CB 3.25Å; L62-R65 PolarHBondContact O-N 3.45Å; L62-R65 VanDerWaalsContact O-N 3.13Å; L62-D66 PolarHBondContact O-N 3.32Å; L62-D66 VanDerWaalsContact O-N 3.12Å
63	N	37.2	Very low	33.3	Very low	79 Å²	79	110 Å²	110	42%	0.422	51%	0.505	S	S	.	.	H	α-helix	trans	-69.5	-31.9	-178.9	-80.6	3.2	0	0	0	115	R65 Y67	N63-R65 PolarHBondContact O-N 2.94Å; N63-Y67 PolarHBondContact O-N 3.18Å
64	E	30.8	Very low	34	Very low	143 Å²	143	107 Å²	107	67%	0.668	49%	0.489	S	S	*	.	H	α-helix	trans	-70.1	-19.3	173.3	-82.6	-172.3	174.1	0	0	112.5	L62	L62-E64 PolarHBondContact O-N 3.32Å
65	R	37.2	Very low	34.3	Very low	154 Å²	154	108.8 Å²	108.8	58%	0.581	49%	0.487	S	S	*	.	H	α-helix	trans	-87.4	-37.2	176.4	-68.3	-179	-171.5	-176.2	3.5	112.1	L62 N63 Y67 R68 D69	L62-R65 WeakPolarHBondContact O-CB 3.25Å; L62-R65 PolarHBondContact O-N 3.45Å; L62-R65 VanDerWaalsContact O-N 3.13Å; N63-R65 PolarHBondContact O-N 2.94Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.94Å; R65-R68 CarbonylContact O-C 3.52Å; R65-R68 WeakPolarHBondContact O-CA 3.21Å; R65-R68 WeakPolarHBondContact O-CB 3.48Å; R65-R68 PolarHBondContact O-N 3.15Å; R65-D69 PolarHBondContact O-N 2.95Å
66	D	37.2	Very low	34.5	Very low	60 Å²	60	107.1 Å²	107.1	32%	0.321	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-35.6	172	-83.1	-19	0	0	0	112.7	L62 R68 D69 R70	L62-D66 PolarHBondContact O-N 3.32Å; L62-D66 VanDerWaalsContact O-N 3.12Å; D66-R68 VanDerWaalsContact C-N 3.26Å; D66-R68 PolarHBondContact O-N 3.18Å; D66-D69 PolarHBondContact O-N 3.19Å; D66-R70 PolarHBondContact O-N 3.12Å
67	Y	34	Very low	35	Very low	142 Å²	142	104.8 Å²	104.8	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-66.7	-27.1	172.7	-151.6	-86.8	0	0	0	112.7	N63 R65	N63-Y67 PolarHBondContact O-N 3.18Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.94Å
68	R	33.1	Very low	35.4	Very low	165 Å²	165	103 Å²	103	62%	0.623	46%	0.457	S	S	*	.	H	α-helix	trans	-78.7	-30.3	171.8	-66.3	-176	-158.6	-162.8	3.8	112.1	R65 D66 R71 Y72	R65-R68 CarbonylContact O-C 3.52Å; R65-R68 WeakPolarHBondContact O-CA 3.21Å; R65-R68 WeakPolarHBondContact O-CB 3.48Å; R65-R68 PolarHBondContact O-N 3.15Å; D66-R68 VanDerWaalsContact C-N 3.26Å; D66-R68 PolarHBondContact O-N 3.18Å; R68-R71 WeakPolarHBondContact O-CA 3.05Å; R68-R71 WeakPolarHBondContact O-CB 3.16Å; R68-R71 PolarHBondContact O-N 3.01Å; R68-R71 VanDerWaalsContact O-N 3.08Å; R68-Y72 PolarHBondContact O-N 3.25Å
69	D	38.3	Very low	35.3	Very low	30 Å²	30	104 Å²	104	16%	0.16	47%	0.466	C	S	.	.	H	α-helix	trans	-68.6	-34.4	-178.5	-123.2	19.3	0	0	0	112.5	R65 D66 R71 Y72 V73 H380	R65-D69 PolarHBondContact O-N 2.95Å; D66-D69 PolarHBondContact O-N 3.19Å; D69-R71 VanDerWaalsContact C-N 3.27Å; D69-R71 PolarHBondContact O-N 3Å; D69-Y72 PolarHBondContact O-N 2.86Å; D69-V73 PolarHBondContact O-N 3.32Å; D69-V73 VanDerWaalsContact O-N 3.14Å; D69-H380 VanDerWaalsContact CG-ND1 3.31Å; D69-H380 IonicContact OD1-ND1 3.38Å; D69-H380 PolarHBondContact OD1-ND1 3.21Å; D69-H380 IonicContact OD2-CE1 3.43Å; D69-H380 PolarHBondContact OD2-CE1 3.25Å; D69-H380 IonicContact OD2-ND1 2.82Å; D69-H380 PolarHBondContact OD2-ND1 3.22Å
70	R	39.7	Very low	35.5	Very low	133 Å²	133	110.4 Å²	110.4	50%	0.502	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-32.9	168.8	-72.6	-174.5	-174.1	176.5	-0.7	113	D66 E167	D66-R70 PolarHBondContact O-N 3.12Å; R70-E167 PolarHBondContact NH1-O 3.45Å
71	R	34.5	Very low	35.9	Very low	153 Å²	153	106.4 Å²	106.4	58%	0.577	48%	0.481	S	S	*	.	H	α-helix	trans	-77.6	-35.4	173.9	-82.3	-165.4	-83.5	-174.7	-8.1	112.4	R68 D69 D74 E75	R68-R71 WeakPolarHBondContact O-CA 3.05Å; R68-R71 WeakPolarHBondContact O-CB 3.16Å; R68-R71 PolarHBondContact O-N 3.01Å; R68-R71 VanDerWaalsContact O-N 3.08Å; D69-R71 VanDerWaalsContact C-N 3.27Å; D69-R71 PolarHBondContact O-N 3Å; R71-D74 PolarHBondContact O-N 3.48Å; R71-E75 WeakPolarHBondContact O-CB 3.38Å; R71-E75 PolarHBondContact O-N 3.49Å
72	Y	32.1	Very low	36	Very low	109 Å²	109	113 Å²	113	43%	0.427	51%	0.506	S	S	.	.	H	α-helix	trans	-71.1	-39.5	-176	-170.8	-98.9	0	0	0	113.5	R68 D69 D74 Y76	R68-Y72 PolarHBondContact O-N 3.25Å; D69-Y72 PolarHBondContact O-N 2.86Å; Y72-D74 VanDerWaalsContact C-N 3.27Å; Y72-D74 PolarHBondContact O-N 2.91Å; Y72-Y76 HydrophobicContact CE1-CD2 4.37Å; Y72-Y76 WeakPolarHBondContact O-CB 3.4Å; Y72-Y76 PolarHBondContact O-N 3.39Å
73	V	39.8	Very low	35.9	Very low	65 Å²	65	112.3 Å²	112.3	39%	0.394	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-36.3	174.6	175.9	0	0	0	0	111.2	D69 R77	D69-V73 PolarHBondContact O-N 3.32Å; D69-V73 VanDerWaalsContact O-N 3.14Å; V73-R77 WeakPolarHBondContact O-CB 3.2Å; V73-R77 PolarHBondContact O-N 2.99Å
74	D	40.5	Very low	35.5	Very low	14 Å²	14	119.3 Å²	119.3	8%	0.075	54%	0.537	C	S	.	.	H	α-helix	trans	-79.9	-34	179.5	-88.1	6.3	0	0	0	113.7	R71 Y72 N78 A169 Y197	R71-D74 PolarHBondContact O-N 3.48Å; Y72-D74 VanDerWaalsContact C-N 3.27Å; Y72-D74 PolarHBondContact O-N 2.91Å; D74-N78 PolarHBondContact O-N 2.97Å; D74-N78 PolarHBondContact O-ND2 3.45Å; D74-A169 VanDerWaalsContact OD2-CB 3.24Å; D74-A169 WeakPolarHBondContact OD2-CB 3.49Å; D74-Y197 PolarHBondContact OD2-OH 3.21Å
75	E	34.5	Very low	35.4	Very low	129 Å²	129	118.9 Å²	118.9	60%	0.603	54%	0.544	S	S	*	.	H	α-helix	trans	-66.8	-41.4	171.5	-94.1	179.6	158.4	0	0	111.4	R71 R77 N78	R71-E75 WeakPolarHBondContact O-CB 3.38Å; R71-E75 PolarHBondContact O-N 3.49Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 3.05Å; E75-N78 WeakPolarHBondContact O-CB 3.35Å; E75-N78 PolarHBondContact O-N 3.49Å
76	Y	33.4	Very low	34.9	Very low	113 Å²	113	117.1 Å²	117.1	44%	0.443	55%	0.553	S	S	.	*	H	α-helix	trans	-72	-26	179.2	-138.4	-92.9	0	0	0	113	Y72 N78 Y80	Y72-Y76 HydrophobicContact CE1-CD2 4.37Å; Y72-Y76 WeakPolarHBondContact O-CB 3.4Å; Y72-Y76 PolarHBondContact O-N 3.39Å; Y76-N78 VanDerWaalsContact C-N 3.31Å; Y76-Y80 HydrophobicContact CD1-CE2 4.47Å; Y76-Y80 HydrophobicContact CE1-CE2 4.01Å
77	R	42.1	Very low	34.5	Very low	132 Å²	132	124.4 Å²	124.4	50%	0.498	58%	0.576	S	S	.	*	H	α-helix	trans	-70.5	-27	172.5	-167.1	174	178.3	168.2	0.7	112.1	V73 E75 C81	V73-R77 WeakPolarHBondContact O-CB 3.2Å; V73-R77 PolarHBondContact O-N 2.99Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 3.05Å; R77-C81 PolarHBondContact O-SG 2.68Å
78	N	37.4	Very low	34.2	Very low	77 Å²	77	124.1 Å²	124.1	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-73.2	-36.2	178.2	-78.5	-26.4	0	0	0	113.6	D74 E75 Y76 Y80 R196	D74-N78 PolarHBondContact O-N 2.97Å; D74-N78 PolarHBondContact O-ND2 3.45Å; E75-N78 WeakPolarHBondContact O-CB 3.35Å; E75-N78 PolarHBondContact O-N 3.49Å; Y76-N78 VanDerWaalsContact C-N 3.31Å; N78-Y80 VanDerWaalsContact C-N 3.27Å; N78-Y80 PolarHBondContact O-N 3.25Å; N78-R196 PolarHBondContact ND2-NH1 3.34Å; N78-R196 PolarHBondContact OD1-NH1 3.19Å
79	D	31.6	Very low	33.9	Very low	128 Å²	128	127.6 Å²	127.6	68%	0.684	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-15.1	-174.9	-86.6	-4.2	0	0	0	114.6
80	Y	37.1	Very low	33.3	Very low	181 Å²	181	133.2 Å²	133.2	71%	0.71	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-3.2	-178.1	-79.9	-88.5	0	0	0	114.9	Y76 N78	Y76-Y80 HydrophobicContact CD1-CE2 4.47Å; Y76-Y80 HydrophobicContact CE1-CE2 4.01Å; N78-Y80 VanDerWaalsContact C-N 3.27Å; N78-Y80 PolarHBondContact O-N 3.25Å
81	C	36.3	Very low	32.7	Very low	107 Å²	107	138.3 Å²	138.3	72%	0.723	64%	0.638	S	S	*	*	S	Bend	trans	-88	-5.4	174	-65.5	0	0	0	0	113.2	R77	R77-C81 PolarHBondContact O-SG 2.68Å
82	E	32.6	Very low	32.2	Very low	191 Å²	191	136.9 Å²	136.9	89%	0.893	64%	0.642	S	S	*	*	S	Bend	trans	-91.8	10.3	-175.5	-127.3	-172.3	-158.9	0	0	115.3
83	G	35	Very low	32.1	Very low	53 Å²	53	139.9 Å²	139.9	55%	0.546	66%	0.664	S	S	.	*			trans	-143	85.1	-177.7	0	0	0	0	0	113
84	Y	27.8	Very low	31.4	Very low	226 Å²	226	145.7 Å²	145.7	89%	0.886	69%	0.686	S	S	*	*			trans	-177.2	102.7	137.7	-108.6	-81.9	0	0	0	108.7	P86	Y84-P86 WeakPolarHBondContact O-CD 3.08Å
85	V	28.2	Very low	30.9	Very low	135 Å²	135	150.5 Å²	150.5	82%	0.818	72%	0.721	S	S	*	*			trans	-102	107.8	168.1	-178	0	0	0	0	107.9	R87	V85-R87 PolarHBondContact O-N 2.68Å
86	P	28.6	Very low	30.4	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	72%	0.722	S	S	*	*			trans	-73.8	125	166	-19.8	33.9	0	0	0	110.8	Y84	Y84-P86 WeakPolarHBondContact O-CD 3.08Å
87	R	27.3	Very low	30.2	Very low	214 Å²	214	152.7 Å²	152.7	81%	0.808	74%	0.744	S	S	*	*			trans	-71.1	136.7	175.9	-86.4	-173.5	-169.8	-171.2	3.3	112.5	V85	V85-R87 PolarHBondContact O-N 2.68Å
88	H	27.3	Very low	29.4	Very low	135 Å²	135	156.7 Å²	156.7	63%	0.625	76%	0.759	S	S	*	*			trans	69.3	120.7	149.6	-58.9	-55.6	0	0	0	120.1
89	Y	26.9	Very low	28.9	Very low	238 Å²	238	161.1 Å²	161.1	93%	0.933	78%	0.781	S	S	*	*				-144.4	127.4	104.7	-98.8	-81.3	0	0	0	110.5
90	H	25.8	Very low	28.7	Very low	149 Å²	149	161.8 Å²	161.8	69%	0.69	78%	0.779	S	S	*	*			trans	-67.1	137.9	172.1	-105	-95.3	0	0	0	110.8	D92	H90-D92 IonicContact ND1-OD1 3.09Å; H90-D92 PolarHBondContact ND1-OD1 3.1Å
91	R	26.8	Very low	28.1	Very low	240 Å²	240	158.5 Å²	158.5	91%	0.906	78%	0.782	S	S	*	*			trans	-146.7	119.9	142.6	-166.4	176.2	-80.1	-175.6	-4.1	109.4
92	D	25.9	Very low	27.7	Very low	123 Å²	123	158.4 Å²	158.4	66%	0.658	78%	0.782	S	S	*	*			trans	-68.4	135.7	-176.9	-48.5	-59.3	0	0	0	111.8	H90	H90-D92 IonicContact ND1-OD1 3.09Å; H90-D92 PolarHBondContact ND1-OD1 3.1Å
93	I	28.9	Very low	27.5	Very low	172 Å²	172	159.3 Å²	159.3	88%	0.882	78%	0.783	S	S	*	*			trans	-143.5	115.9	144.2	-63.7	-171.1	0	0	0	107.7
94	E	25.9	Very low	27.2	Very low	186 Å²	186	162.4 Å²	162.4	87%	0.869	80%	0.797	S	S	*	*			trans	-70.2	151	170.1	-75.5	179.1	130.1	0	0	112.9
95	S	28.7	Very low	27.3	Very low	116 Å²	116	156.9 Å²	156.9	81%	0.811	79%	0.791	S	S	*	*			trans	141.2	110.8	144.7	-169.7	0	0	0	0	106.8
96	G	24.7	Very low	27.4	Very low	60 Å²	60	157.6 Å²	157.6	62%	0.619	80%	0.795	S	S	*	*			cis	126.7	147.6	48.1	0	0	0	0	0	106.1
97	Y	28.6	Very low	27.5	Very low	228 Å²	228	163.4 Å²	163.4	89%	0.894	80%	0.802	S	S	*	*			trans	95.4	79.9	-177.3	-55.1	-70.3	0	0	0	117.5
98	R	25.1	Very low	27.6	Very low	215 Å²	215	159 Å²	159	81%	0.811	80%	0.804	S	S	*	*			trans	-79.8	137.5	145.4	-71.6	179.8	-174	177.1	3.7	109.4
99	I	27.9	Very low	27.8	Very low	170 Å²	170	164 Å²	164	87%	0.872	82%	0.818	S	S	*	*			trans	-125.7	127.2	145.5	-64.8	-178.2	0	0	0	108.1
100	H	26.5	Very low	27.9	Very low	142 Å²	142	164.8 Å²	164.8	66%	0.657	82%	0.819	S	S	*	*			trans	-82.4	170.6	-176.6	-96.4	-85.6	0	0	0	113.5
101	C	25.7	Very low	28.1	Very low	113 Å²	113	162.5 Å²	162.5	76%	0.764	82%	0.82	S	S	*	*			trans	93.4	145.5	147.4	-79.2	0	0	0	0	117.5
102	S	27.5	Very low	28.3	Very low	105 Å²	105	156.6 Å²	156.6	73%	0.734	82%	0.815	S	S	*	*			cis	-175.6	146.6	-19.9	-92.5	0	0	0	0	105.7
103	K	28.8	Very low	29.1	Very low	209 Å²	209	156.2 Å²	156.2	91%	0.909	82%	0.819	S	S	*	*			trans	-65.6	142.6	167.9	-67.2	174.5	175.7	174.7	0	111.1
104	S	28.3	Very low	29.3	Very low	119 Å²	119	157.3 Å²	157.3	83%	0.832	82%	0.818	S	S	*	*			trans	-163.9	129.7	138.5	55.7	0	0	0	0	112.9
105	S	30.3	Very low	29.5	Very low	110 Å²	110	158.9 Å²	158.9	77%	0.769	82%	0.816	S	S	*	*			trans	-66.8	146.7	169.1	50.8	0	0	0	0	114.4
106	V	30.3	Very low	29.6	Very low	149 Å²	149	161.9 Å²	161.9	90%	0.903	81%	0.814	S	S	*	*			trans	-155.2	135.5	139.8	179	0	0	0	0	110.7
107	R	29.5	Very low	30	Very low	238 Å²	238	169 Å²	169	90%	0.898	82%	0.822	S	S	*	*			trans	-75.5	149.8	172.1	-66	168.8	167.1	176.7	-3.9	111.8
108	S	30.9	Very low	30.2	Very low	122 Å²	122	166.2 Å²	166.2	85%	0.853	82%	0.823	S	S	*	*				-165.2	144.8	124.9	71.2	0	0	0	0	112.9
109	R	30	Very low	30.5	Very low	241 Å²	241	164.7 Å²	164.7	91%	0.909	82%	0.817	S	S	*	*			trans	-82.2	149.9	176	-66.2	170	167.2	178.1	-5.1	110.3
110	R	30	Very low	30.7	Very low	254 Å²	254	164.4 Å²	164.4	96%	0.958	81%	0.812	S	S	*	*			trans	-165.7	149.7	133.2	-107.6	169.2	-171.4	-161.1	3	112.5
111	S	29.9	Very low	30.7	Very low	101 Å²	101	163.7 Å²	163.7	71%	0.706	82%	0.821	S	S	*	*			trans	-105.2	139.7	-160.5	44.2	0	0	0	0	113.5
112	S	31.1	Very low	31.1	Very low	115 Å²	115	164.2 Å²	164.2	80%	0.804	83%	0.826	S	S	*	*			trans	49.2	166.6	137.9	-48.9	0	0	0	0	120.5
113	P	42.8	Very low	31.4	Very low	115 Å²	115	164.5 Å²	164.5	75%	0.747	83%	0.828	S	S	*	*			cis	-143.7	162.8	7.7	38.9	-17.4	0	0	0	119
114	K	32.7	Very low	31.7	Very low	195 Å²	195	163.8 Å²	163.8	85%	0.848	83%	0.828	S	S	*	*			trans	26.3	133.3	139.4	-60.7	-179.7	177.9	176.9	0	122.6
115	R	31.2	Very low	32	Very low	220 Å²	220	166.9 Å²	166.9	83%	0.83	83%	0.829	S	S	*	*			trans	167.8	151.5	130.1	-97.1	174.2	168.2	-162.2	-1	108.5
116	K	30.8	Very low	32.2	Very low	178 Å²	178	167.2 Å²	167.2	77%	0.774	83%	0.831	S	S	*	*			cis	-164.2	159.4	-10.7	-126.1	177.5	-177.1	-174.8	0	106
117	R	33	Very low	32.4	Very low	210 Å²	210	171.7 Å²	171.7	79%	0.792	83%	0.832	S	S	*	*			trans	-47.8	153.5	176.5	-77.8	168	156.3	174.7	-5.6	116.4
118	N	31	Very low	32.7	Very low	169 Å²	169	165.6 Å²	165.6	90%	0.904	83%	0.826	S	S	*	*			trans	-147.3	136.3	130.5	-111.2	-2.3	0	0	0	112.2
119	R	32.1	Very low	33.1	Very low	184 Å²	184	169.5 Å²	169.5	69%	0.694	83%	0.827	S	S	*	*			trans	-91.7	146.9	165.2	-66.4	174.9	167.5	175.7	-6.1	106.3
120	H	31.3	Very low	33.4	Very low	164 Å²	164	162.9 Å²	162.9	76%	0.759	82%	0.818	S	S	*	*				178.4	168.4	72.5	-99.5	-70.5	0	0	0	110.6
121	C	28.5	Very low	34	Very low	126 Å²	126	159.9 Å²	159.9	85%	0.851	82%	0.815	S	S	*	*			trans	112	112.7	148.3	-67	0	0	0	0	117.5
122	S	34.2	Very low	34.5	Very low	124 Å²	124	165.2 Å²	165.2	87%	0.867	82%	0.819	S	S	*	*			trans	-72.5	137.4	170.6	-34.2	0	0	0	0	110.9
123	S	31.8	Very low	35.3	Very low	112 Å²	112	170.9 Å²	170.9	78%	0.783	82%	0.823	S	S	*	*			trans	-146.6	126.9	147.7	67	0	0	0	0	109.7
124	H	36.9	Very low	35.5	Very low	194 Å²	194	175.1 Å²	175.1	90%	0.898	83%	0.829	S	S	*	*			trans	-73.8	123.7	170	-81.3	-75.1	0	0	0	108.7
125	Q	34.7	Very low	36.3	Very low	184 Å²	184	176.2 Å²	176.2	86%	0.86	83%	0.828	S	S	*	*			trans	-144.3	136.3	155.8	-105.4	171.4	10	0	0	110.9
126	S	34.2	Very low	37.5	Very low	117 Å²	117	171.2 Å²	171.2	82%	0.818	83%	0.827	S	S	*	*			trans	-50.1	122.6	-168.4	46.6	0	0	0	0	115.4	S128	S126-S128 PolarHBondContact O-N 3.25Å
127	R	34.3	Very low	39	Very low	243 Å²	243	170.7 Å²	170.7	92%	0.917	82%	0.82	S	S	*	*			trans	-81.5	106.6	164.9	-78.8	-178.2	164.9	-177.7	-4	109.9	K129	R127-K129 PolarHBondContact O-N 2.99Å
128	S	36.2	Very low	40.7	Very low	109 Å²	109	164.7 Å²	164.7	76%	0.762	81%	0.81	S	S	*	*			trans	-53.9	126.2	155.8	42.3	0	0	0	0	109	S126 S130	S126-S128 PolarHBondContact O-N 3.25Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.24Å
129	K	37.5	Very low	43.1	Very low	205 Å²	205	160.7 Å²	160.7	89%	0.891	79%	0.788	S	S	*	*			trans	-69	91.8	175	-73.2	-179.9	178.5	176.5	0	108.1	R127 H131	R127-K129 PolarHBondContact O-N 2.99Å; K129-H131 PolarHBondContact O-N 3.05Å
130	S	37	Very low	45.8	Very low	102 Å²	102	157 Å²	157	71%	0.713	78%	0.779	S	S	*	*			trans	-67.1	128.7	162.3	66.7	0	0	0	0	108	S128 R132	S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.24Å; S130-R132 PolarHBondContact O-N 3.13Å
131	H	43.3	Very low	48.7	Very low	191 Å²	191	152.3 Å²	152.3	88%	0.884	76%	0.759	S	S	*	*			trans	-61.6	89.8	166	-77	-81	0	0	0	107.9	K129 R133	K129-H131 PolarHBondContact O-N 3.05Å; H131-R133 VanDerWaalsContact C-N 3.33Å; H131-R133 PolarHBondContact O-N 3.18Å
132	R	40.5	Very low	51.6	Low	212 Å²	212	149.1 Å²	149.1	80%	0.8	73%	0.734	S	S	*	*			trans	-63.9	98.4	170.4	-170.8	176.6	172.6	-171.4	-3.8	106.1	S130 K134	S130-R132 PolarHBondContact O-N 3.13Å; R132-K134 PolarHBondContact O-N 3.07Å
133	R	48	Very low	54.2	Low	234 Å²	234	153.1 Å²	153.1	88%	0.883	74%	0.739	S	S	*	*			trans	-42.2	116.8	162.8	-81.7	-179.2	166.3	175.6	-4.8	106.3	H131 R135	H131-R133 VanDerWaalsContact C-N 3.33Å; H131-R133 PolarHBondContact O-N 3.18Å; R133-R135 PolarHBondContact O-N 3.35Å
134	K	46.9	Very low	56.8	Low	204 Å²	204	153.5 Å²	153.5	89%	0.887	73%	0.728	S	S	*	*			trans	-50.8	114.6	173.1	-83.9	177.8	176.1	176.7	0	105.4	R132 S136	R132-K134 PolarHBondContact O-N 3.07Å; K134-S136 PolarHBondContact O-N 3.5Å
135	R	49.5	Very low	59.3	Low	219 Å²	219	144.9 Å²	144.9	83%	0.826	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-53.6	131.4	167.5	-92.5	179.7	159.4	179.8	-7.3	106.1	R133 R137	R133-R135 PolarHBondContact O-N 3.35Å; R135-R137 PolarHBondContact O-N 3.41Å; R135-R137 VanDerWaalsContact O-N 3.09Å
136	S	56.2	Low	62	Low	115 Å²	115	136.7 Å²	136.7	80%	0.804	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-48.9	119.4	168.2	50.4	0	0	0	0	107.3	K134	K134-S136 PolarHBondContact O-N 3.5Å
137	R	62	Low	64.7	Low	167 Å²	167	131.4 Å²	131.4	63%	0.63	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.7	142.7	171	-77.5	174.6	164	167.1	-11	107.6	R135 I139	R135-R137 PolarHBondContact O-N 3.41Å; R135-R137 VanDerWaalsContact O-N 3.09Å; R137-I139 PolarHBondContact O-N 2.84Å
138	S	68.6	Low	67.5	Low	83 Å²	83	124 Å²	124	58%	0.58	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.1	129	166.8	29.3	0	0	0	0	107.5	E140	S138-E140 WeakPolarHBondContact CB-OE1 3.46Å; S138-E140 PolarHBondContact O-N 3.04Å; S138-E140 PolarHBondContact OG-OE1 2.91Å
139	I	81.2	Confident	70	Confident	85 Å²	85	119.8 Å²	119.8	44%	0.436	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-73.5	119	172.4	-63.2	170.2	0	0	0	105.6	R137 L147 H232	R137-I139 PolarHBondContact O-N 2.84Å; I139-L147 HydrophobicContact CG2-CD1 3.61Å; I139-H232 VanDerWaalsContact CD1-CD2 3.47Å; I139-H232 WeakPolarHBondContact CD1-CD2 3.49Å; I139-H232 WeakPolarHBondContact CD1-NE2 3.48Å; I139-H232 HydrophobicContact CG2-CB 4.31Å
140	E	89.1	Confident	72.6	Confident	108 Å²	108	114.9 Å²	114.9	51%	0.505	54%	0.544	S	S	.	.			trans	-131.4	145.6	-171.9	-71.3	173.8	-161.8	0	0	109.9	S138 I148	S138-E140 WeakPolarHBondContact CB-OE1 3.46Å; S138-E140 PolarHBondContact O-N 3.04Å; S138-E140 PolarHBondContact OG-OE1 2.91Å; E140-I148 HydrophobicContact CB-CD1 4.26Å; E140-I148 VanDerWaalsContact O-CB 3.3Å; E140-I148 WeakPolarHBondContact O-CB 3.49Å; E140-I148 WeakPolarHBondContact O-CG1 3.36Å; E140-I148 PolarHBondContact O-N 3.29Å
141	D	91.5	Very high	75.3	Confident	64 Å²	64	114.3 Å²	114.3	34%	0.342	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-100.5	150.2	174.8	-60	2	0	0	0	108.8	H146 N193 H234	D141-H146 CarbonylContact C-O 3.52Å; D141-H146 VanDerWaalsContact CA-O 3.25Å; D141-H146 WeakPolarHBondContact CA-O 3.26Å; D141-N193 PolarHBondContact OD2-ND2 3.23Å; D141-H234 IonicContact OD1-NE2 3.72Å; D141-H234 PolarHBondContact OD1-NE2 3.34Å; D141-H234 VanDerWaalsContact OD1-NE2 3.09Å; D141-H234 IonicContact OD2-NE2 2.69Å
142	D	89.3	Confident	77.7	Confident	59 Å²	59	107 Å²	107	32%	0.316	52%	0.517	S	S	.	.			trans	-79.3	176	169.8	74.5	11.8	0	0	0	112.3	E144 G145 H146 I148	D142-E144 PolarHBondContact O-N 2.82Å; D142-E144 VanDerWaalsContact O-N 3.14Å; D142-E144 VanDerWaalsContact OD1-C 3.32Å; D142-E144 WeakPolarHBondContact OD1-CA 3.48Å; D142-E144 WeakPolarHBondContact OD1-CB 3.4Å; D142-E144 PolarHBondContact OD1-N 2.68Å; D142-G145 PolarHBondContact O-N 2.88Å; D142-G145 PolarHBondContact OD1-N 3.27Å; D142-H146 PolarHBondContact N-O 3.04Å; D142-H146 IonicContact OD1-CG 2.65Å; D142-H146 PolarHBondContact OD1-N 3.47Å; D142-H146 IonicContact OD1-ND1 2.69Å; D142-H146 PolarHBondContact OD1-ND1 2.95Å; D142-H146 WeakPolarHBondContact OD2-CB 3.37Å; D142-H146 IonicContact OD2-CE1 3.54Å; D142-H146 IonicContact OD2-CG 2.72Å; D142-H146 IonicContact OD2-ND1 3.21Å; D142-H146 PolarHBondContact OD2-ND1 3.12Å; D142-I148 HydrophobicContact CB-CD1 4.23Å; D142-I148 HydrophobicContact CB-CG1 4.12Å
143	E	89.4	Confident	80.3	Confident	209 Å²	209	99.3 Å²	99.3	98%	0.977	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.3	179.9	-64	-174.1	171.1	0	0	113.6
144	E	86.3	Confident	82.5	Confident	120 Å²	120	91.4 Å²	91.4	56%	0.561	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.9	178.7	-61	-171.1	-175.6	0	0	113	D142 H146 K192	D142-E144 PolarHBondContact O-N 2.82Å; D142-E144 VanDerWaalsContact O-N 3.14Å; D142-E144 VanDerWaalsContact OD1-C 3.32Å; D142-E144 WeakPolarHBondContact OD1-CA 3.48Å; D142-E144 WeakPolarHBondContact OD1-CB 3.4Å; D142-E144 PolarHBondContact OD1-N 2.68Å; E144-H146 IonicContact OE2-CE1 3.4Å; E144-H146 PolarHBondContact OE2-CE1 3.47Å; E144-H146 IonicContact OE2-ND1 3.54Å; E144-K192 IonicContact OE2-NZ 3.2Å; E144-K192 PolarHBondContact OE2-NZ 3.26Å
145	G	89.3	Confident	84.8	Confident	12 Å²	12	81.9 Å²	81.9	12%	0.124	43%	0.428	C	S	.	.	S	Bend	trans	78	21.8	-178.8	0	0	0	0	0	114.3	D142 K192 N193 H234	D142-G145 PolarHBondContact O-N 2.88Å; D142-G145 PolarHBondContact OD1-N 3.27Å; G145-K192 CarbonylContact O-C 3.51Å; G145-K192 VanDerWaalsContact O-CA 3.24Å; G145-K192 WeakPolarHBondContact O-CA 3.19Å; G145-K192 WeakPolarHBondContact O-CB 3.38Å; G145-N193 PolarHBondContact O-N 3.38Å; G145-H234 PolarHBondContact O-CE1 3.39Å; G145-H234 VanDerWaalsContact O-CE1 3.27Å
146	H	91.6	Very high	86.9	Confident	12 Å²	12	77.6 Å²	77.6	6%	0.056	41%	0.411	C	S	.	.			trans	-80.1	145.2	165.7	-56.3	97.4	0	0	0	110.9	D141 D142 E144 I148 E167 K192	D141-H146 CarbonylContact C-O 3.52Å; D141-H146 VanDerWaalsContact CA-O 3.25Å; D141-H146 WeakPolarHBondContact CA-O 3.26Å; D142-H146 PolarHBondContact N-O 3.04Å; D142-H146 IonicContact OD1-CG 2.65Å; D142-H146 PolarHBondContact OD1-N 3.47Å; D142-H146 IonicContact OD1-ND1 2.69Å; D142-H146 PolarHBondContact OD1-ND1 2.95Å; D142-H146 WeakPolarHBondContact OD2-CB 3.37Å; D142-H146 IonicContact OD2-CE1 3.54Å; D142-H146 IonicContact OD2-CG 2.72Å; D142-H146 IonicContact OD2-ND1 3.21Å; D142-H146 PolarHBondContact OD2-ND1 3.12Å; E144-H146 IonicContact OE2-CE1 3.4Å; E144-H146 PolarHBondContact OE2-CE1 3.47Å; E144-H146 IonicContact OE2-ND1 3.54Å; H146-I148 PolarHBondContact O-N 2.96Å; H146-E167 IonicContact NE2-OE1 3.5Å; H146-K192 WeakPolarHBondContact CD2-CE 3.37Å; H146-K192 WeakPolarHBondContact CE1-CE 3.17Å; H146-K192 PolarHBondContact CE1-NZ 3.17Å; H146-K192 WeakPolarHBondContact NE2-CE 3.4Å; H146-K192 PolarHBondContact NE2-NZ 3.11Å
147	L	92.1	Very high	88.6	Confident	6 Å²	6	76.7 Å²	76.7	3%	0.031	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-66.4	125.2	168	-174.4	63.6	0	0	0	110	I139 C149 L155 K172 I190 H234	I139-L147 HydrophobicContact CG2-CD1 3.61Å; L147-C149 HydrophobicContact CD2-CB 4.48Å; L147-C149 HydrophobicContact CG-CB 4.42Å; L147-C149 PolarHBondContact O-N 3.16Å; L147-L155 HydrophobicContact CD2-CD2 3.97Å; L147-K172 PolarHBondContact O-NZ 3.33Å; L147-I190 HydrophobicContact CB-CG2 4.05Å; L147-I190 HydrophobicContact CD2-CD1 4.36Å; L147-I190 HydrophobicContact CD2-CG2 4.01Å; L147-H234 PolarHBondContact N-CE1 2.86Å
148	I	91.3	Very high	90.2	Very high	87 Å²	87	71.6 Å²	71.6	45%	0.446	39%	0.392	S	S	.	.			trans	-80	100	172.6	-56.9	173.4	0	0	0	108.1	E140 D142 H146	E140-I148 HydrophobicContact CB-CD1 4.26Å; E140-I148 VanDerWaalsContact O-CB 3.3Å; E140-I148 WeakPolarHBondContact O-CB 3.49Å; E140-I148 WeakPolarHBondContact O-CG1 3.36Å; E140-I148 PolarHBondContact O-N 3.29Å; D142-I148 HydrophobicContact CB-CD1 4.23Å; D142-I148 HydrophobicContact CB-CG1 4.12Å; H146-I148 PolarHBondContact O-N 2.96Å
149	C	89.9	Confident	91.6	Very high	21 Å²	21	67.6 Å²	67.6	14%	0.142	36%	0.364	C	S	.	.			trans	-127.2	151.1	179.8	64	0	0	0	0	111.7	L147 D153 I161 K172	L147-C149 HydrophobicContact CD2-CB 4.48Å; L147-C149 HydrophobicContact CG-CB 4.42Å; L147-C149 PolarHBondContact O-N 3.16Å; C149-D153 WeakPolarHBondContact CA-OD2 3.28Å; C149-I161 HydrophobicContact CB-CD1 3.66Å; C149-K172 WeakPolarHBondContact SG-CD 3.5Å
150	Q	90.9	Very high	92.4	Very high	102 Å²	102	66.7 Å²	66.7	48%	0.477	36%	0.358	S	S	.	.			trans	-132.1	162.3	178.7	-63.2	-180	-1	0	0	110.6	G152 D153	Q150-G152 PolarHBondContact O-N 3.39Å; Q150-D153 PolarHBondContact N-OD2 3.06Å; Q150-D153 WeakPolarHBondContact O-CB 3.41Å; Q150-D153 PolarHBondContact O-N 3.33Å
151	S	94.1	Very high	92.8	Very high	91 Å²	91	61.7 Å²	61.7	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	131.6	170.5	-175.1	0	0	0	0	111	I161 V162	S151-I161 WeakPolarHBondContact CA-O 3.43Å; S151-V162 VanDerWaalsContact CB-O 3.3Å; S151-V162 WeakPolarHBondContact CB-O 3.39Å; S151-V162 PolarHBondContact OG-O 3.47Å
152	G	94	Very high	93.1	Very high	38 Å²	38	60.9 Å²	60.9	39%	0.392	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-3.8	-174.8	0	0	0	0	0	115.7	Q150 I161	Q150-G152 PolarHBondContact O-N 3.39Å; G152-I161 PolarHBondContact N-O 3.48Å
153	D	94.5	Very high	93.5	Very high	50 Å²	50	62.8 Å²	62.8	27%	0.267	34%	0.342	S	S	.	.			trans	-73.9	148.1	169.9	-68.2	-25.6	0	0	0	110.4	C149 Q150 I161	C149-D153 WeakPolarHBondContact CA-OD2 3.28Å; Q150-D153 PolarHBondContact N-OD2 3.06Å; Q150-D153 WeakPolarHBondContact O-CB 3.41Å; Q150-D153 PolarHBondContact O-N 3.33Å; D153-I161 HydrophobicContact CB-CD1 4.32Å; D153-I161 PolarHBondContact O-N 2.88Å
154	V	94.8	Very high	93.8	Very high	68 Å²	68	56.1 Å²	56.1	41%	0.412	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.5	-174.9	-174.1	0	0	0	0	111.3	Y159 E160	V154-Y159 CarbonylContact C-O 3.35Å; V154-Y159 VanDerWaalsContact CA-O 3.29Å; V154-Y159 WeakPolarHBondContact CA-O 3.45Å; V154-E160 HydrophobicContact CG2-CB 4.15Å; V154-E160 HydrophobicContact CG2-CG 4.29Å
155	L	94.8	Very high	94.1	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.4	175.3	-49.1	172.6	0	0	0	110.2	L147 A157 R158 Y159 I161 V188 I190 F229	L147-L155 HydrophobicContact CD2-CD2 3.97Å; L155-A157 PolarHBondContact O-N 3.44Å; L155-R158 PolarHBondContact O-N 3.36Å; L155-Y159 PolarHBondContact N-O 2.87Å; L155-Y159 PolarHBondContact O-N 3.44Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å; L155-I161 HydrophobicContact CD1-CG1 4.33Å; L155-I161 HydrophobicContact CD2-CD1 4.25Å; L155-I161 HydrophobicContact CG-CD1 4.18Å; L155-I161 HydrophobicContact CG-CG1 4.32Å; L155-V188 HydrophobicContact CD1-CG1 4.09Å; L155-I190 HydrophobicContact CD1-CD1 3.75Å; L155-I190 HydrophobicContact CD1-CG1 4.23Å; L155-F229 HydrophobicContact CB-CE2 4.26Å; L155-F229 HydrophobicContact CB-CZ 4.16Å
156	R	93.3	Very high	94.2	Very high	128 Å²	128	55.5 Å²	55.5	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	30.2	179.3	-159.4	-178.2	175.3	-166.1	-3.1	114	R158 E227 F229	R156-R158 PolarHBondContact O-N 2.94Å; R156-E227 IonicContact CZ-OE2 3.79Å; R156-E227 IonicContact NH1-OE2 3.51Å; R156-E227 PolarHBondContact NH1-OE2 3.16Å; R156-F229 HydrophobicContact CB-CD2 4.16Å; R156-F229 HydrophobicContact CB-CE2 3.97Å; R156-F229 HydrophobicContact CB-CZ 4.32Å; R156-F229 HydrophobicContact CG-CD2 4.46Å
157	A	92.9	Very high	94.1	Very high	97 Å²	97	59.2 Å²	59.2	80%	0.802	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	24.5	-174.8	0	0	0	0	0	114.5	L155	L155-A157 PolarHBondContact O-N 3.44Å
158	R	96.1	Very high	93.8	Very high	59 Å²	59	60 Å²	60	22%	0.223	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-43.1	-174.7	178.1	175.1	173.3	-165.3	-10.2	113.5	L155 R156 D178 H179 E227	L155-R158 PolarHBondContact O-N 3.36Å; R156-R158 PolarHBondContact O-N 2.94Å; R158-D178 VanDerWaalsContact CG-OD1 3.26Å; R158-D178 WeakPolarHBondContact CG-OD1 3.35Å; R158-D178 IonicContact CZ-OD1 3.42Å; R158-D178 IonicContact CZ-OD2 3.11Å; R158-D178 IonicContact NE-OD1 3.35Å; R158-D178 PolarHBondContact NE-OD1 2.95Å; R158-D178 IonicContact NE-OD2 3.22Å; R158-D178 PolarHBondContact NE-OD2 2.87Å; R158-D178 IonicContact NH2-OD1 2.95Å; R158-D178 PolarHBondContact NH2-OD1 3.28Å; R158-D178 IonicContact NH2-OD2 2.76Å; R158-D178 PolarHBondContact NH2-OD2 3.1Å; R158-H179 WeakPolarHBondContact O-CB 3.46Å; R158-H179 PolarHBondContact O-CD2 3.36Å; R158-H179 VanDerWaalsContact O-CD2 3.25Å; R158-H179 PolarHBondContact O-N 3.32Å; R158-E227 IonicContact CZ-OE1 2.85Å; R158-E227 IonicContact NH1-OE1 2.81Å; R158-E227 PolarHBondContact NH1-OE1 3.46Å; R158-E227 IonicContact NH1-OE2 2.79Å; R158-E227 IonicContact NH2-OE1 2.62Å; R158-E227 PolarHBondContact NH2-OE1 3.42Å
159	Y	97.9	Very high	93.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.7	-174.6	-55.9	-78.9	0	0	0	110.4	V154 L155 I177 D178 V186 V188 E227 F229 V238	V154-Y159 CarbonylContact C-O 3.35Å; V154-Y159 VanDerWaalsContact CA-O 3.29Å; V154-Y159 WeakPolarHBondContact CA-O 3.45Å; L155-Y159 PolarHBondContact N-O 2.87Å; L155-Y159 PolarHBondContact O-N 3.44Å; Y159-I177 WeakPolarHBondContact CA-O 3.38Å; Y159-D178 HydrophobicContact CD1-CB 4.08Å; Y159-D178 HydrophobicContact CE1-CB 3.98Å; Y159-D178 WeakPolarHBondContact CE1-OD2 3.32Å; Y159-V186 HydrophobicContact CD1-CG2 3.88Å; Y159-V186 HydrophobicContact CE1-CG2 4.16Å; Y159-V188 HydrophobicContact CD1-CG2 4.47Å; Y159-E227 WeakPolarHBondContact OH-CG 3.07Å; Y159-E227 PolarHBondContact OH-OE1 2.78Å; Y159-E227 PolarHBondContact OH-OE2 3.42Å; Y159-F229 AromaticContact CD2-CE1 3.66Å; Y159-F229 HydrophobicContact CD2-CE1 3.66Å; Y159-F229 AromaticContact CD2-CZ 3.7Å; Y159-F229 HydrophobicContact CD2-CZ 3.7Å; Y159-F229 HydrophobicContact CE2-CD1 4.13Å; Y159-F229 AromaticContact CE2-CE1 3.36Å; Y159-F229 HydrophobicContact CE2-CE1 3.36Å; Y159-F229 AromaticContact CE2-CZ 3.91Å; Y159-F229 HydrophobicContact CE2-CZ 3.91Å; Y159-V238 HydrophobicContact CE1-CG1 4.01Å; Y159-V238 HydrophobicContact CE1-CG2 4.22Å; Y159-V238 HydrophobicContact CE2-CG2 4.29Å
160	E	97.7	Very high	93.1	Very high	65 Å²	65	59.6 Å²	59.6	30%	0.304	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.5	176.1	179	177.7	178.8	0	0	110.4	V154 V162 C176 I177 H179	V154-E160 HydrophobicContact CG2-CB 4.15Å; V154-E160 HydrophobicContact CG2-CG 4.29Å; E160-V162 PolarHBondContact O-N 3.09Å; E160-C176 CarbonylContact O-C 3.57Å; E160-C176 WeakPolarHBondContact O-CA 3.43Å; E160-I177 HydrophobicContact CB-CB 4.5Å; E160-I177 PolarHBondContact N-O 2.82Å; E160-I177 PolarHBondContact O-N 2.76Å; E160-H179 WeakPolarHBondContact CB-NE2 3.25Å; E160-H179 IonicContact OE2-CE1 3.43Å; E160-H179 PolarHBondContact OE2-CE1 2.78Å; E160-H179 IonicContact OE2-NE2 2.73Å; E160-H179 PolarHBondContact OE2-NE2 3.32Å
161	I	97.8	Very high	93.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.7	-178.8	-61.9	176.7	0	0	0	109.8	C149 S151 G152 D153 L155 V174	C149-I161 HydrophobicContact CB-CD1 3.66Å; S151-I161 WeakPolarHBondContact CA-O 3.43Å; G152-I161 PolarHBondContact N-O 3.48Å; D153-I161 HydrophobicContact CB-CD1 4.32Å; D153-I161 PolarHBondContact O-N 2.88Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å; L155-I161 HydrophobicContact CD1-CG1 4.33Å; L155-I161 HydrophobicContact CD2-CD1 4.25Å; L155-I161 HydrophobicContact CG-CD1 4.18Å; L155-I161 HydrophobicContact CG-CG1 4.32Å; I161-V174 HydrophobicContact CD1-CG2 4.41Å; I161-V174 HydrophobicContact CG1-CG2 4.18Å; I161-V174 HydrophobicContact CG2-CB 4.12Å; I161-V174 HydrophobicContact CG2-CG1 4.29Å
162	V	97.4	Very high	93.2	Very high	48 Å²	48	52 Å²	52	29%	0.291	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-57.7	176.1	-178.7	0	0	0	0	110.1	S151 E160 E175 I177	S151-V162 VanDerWaalsContact CB-O 3.3Å; S151-V162 WeakPolarHBondContact CB-O 3.39Å; S151-V162 PolarHBondContact OG-O 3.47Å; E160-V162 PolarHBondContact O-N 3.09Å; V162-E175 HydrophobicContact CB-CB 4.42Å; V162-E175 HydrophobicContact CB-CG 4.28Å; V162-E175 PolarHBondContact N-O 3.25Å; V162-I177 HydrophobicContact CG2-CD1 3.7Å; V162-I177 HydrophobicContact CG2-CG1 3.59Å
163	D	96.8	Very high	93.3	Very high	98 Å²	98	52.4 Å²	52.4	52%	0.524	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	165.6	-176.1	-157.4	4.4	0	0	0	111.9	V174 E175	D163-V174 CarbonylContact O-C 3.58Å; D163-V174 VanDerWaalsContact O-CA 3.29Å; D163-V174 WeakPolarHBondContact O-CA 3.22Å; D163-V174 WeakPolarHBondContact O-CB 3.35Å; D163-E175 PolarHBondContact O-N 3.13Å
164	T	95.6	Very high	93.5	Very high	70 Å²	70	50 Å²	50	43%	0.429	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.4	173	-57.4	0	0	0	0	110
165	L	94.4	Very high	93.6	Very high	87 Å²	87	48.6 Å²	48.6	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-32.4	178.8	-61.7	174.7	0	0	0	111.8	V173 E175 A187 L241	L165-V173 HydrophobicContact CB-CB 4.48Å; L165-V173 HydrophobicContact CB-CG1 4.28Å; L165-V173 HydrophobicContact CD1-CG1 4.21Å; L165-V173 PolarHBondContact N-O 3.16Å; L165-E175 HydrophobicContact CD1-CB 4.08Å; L165-E175 HydrophobicContact CD2-CB 4.01Å; L165-E175 HydrophobicContact CG-CB 3.98Å; L165-A187 HydrophobicContact CD1-CB 3.94Å; L165-L241 HydrophobicContact CD1-CD1 3.67Å
166	G	90.6	Very high	93.8	Very high	32 Å²	32	48.4 Å²	48.4	33%	0.33	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	159.4	177.9	0	0	0	0	0	113.8	K172 V173	G166-K172 CarbonylContact O-C 3.58Å; G166-K172 WeakPolarHBondContact O-CA 3.45Å; G166-V173 PolarHBondContact N-O 2.87Å; G166-V173 VanDerWaalsContact N-O 3.11Å; G166-V173 PolarHBondContact O-N 3.05Å
167	E	89.2	Confident	94	Very high	90 Å²	90	44.2 Å²	44.2	42%	0.421	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.5	177.7	-173.1	167.2	-152.7	0	0	110.1	R70 H146 K172	R70-E167 PolarHBondContact NH1-O 3.45Å; H146-E167 IonicContact NE2-OE1 3.5Å; E167-K172 HydrophobicContact CG-CB 4.48Å
168	G	85.2	Confident	94.3	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-176.8	-176.5	0	0	0	0	0	112.6	F170 G171	G168-F170 PolarHBondContact O-N 3.1Å; G168-F170 VanDerWaalsContact O-N 3.15Å; G168-G171 PolarHBondContact N-O 3.25Å; G168-G171 PolarHBondContact O-N 3.32Å; G168-G171 VanDerWaalsContact O-N 3.12Å
169	A	82.7	Confident	94.3	Very high	20 Å²	20	42 Å²	42	17%	0.165	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.6	-173.9	0	0	0	0	0	113.4	D74 K192 Y197	D74-A169 VanDerWaalsContact OD2-CB 3.24Å; D74-A169 WeakPolarHBondContact OD2-CB 3.49Å; A169-K192 VanDerWaalsContact O-CD 3.29Å; A169-K192 WeakPolarHBondContact O-CD 3.24Å; A169-K192 WeakPolarHBondContact O-CE 3.37Å; A169-K192 PolarHBondContact O-NZ 2.92Å; A169-K192 VanDerWaalsContact O-NZ 3.15Å; A169-Y197 PolarHBondContact O-OH 2.77Å
170	F	85.6	Confident	94	Very high	78 Å²	78	44.6 Å²	44.6	34%	0.342	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.3	-178.8	-59.8	-82.5	0	0	0	114.2	G168 K192 Y197	G168-F170 PolarHBondContact O-N 3.1Å; G168-F170 VanDerWaalsContact O-N 3.15Å; F170-K192 PolarHBondContact O-N 3.23Å; F170-Y197 AromaticContact CD1-CD1 3.5Å; F170-Y197 HydrophobicContact CD1-CD1 3.5Å; F170-Y197 AromaticContact CD1-CE1 3.65Å; F170-Y197 HydrophobicContact CD1-CE1 3.65Å; F170-Y197 AromaticContact CE1-CD1 3.95Å; F170-Y197 HydrophobicContact CE1-CD1 3.95Å; F170-Y197 AromaticContact CE1-CE1 3.85Å; F170-Y197 HydrophobicContact CE1-CE1 3.85Å; F170-Y197 HydrophobicContact CG-CD1 4.44Å; F170-Y197 HydrophobicContact CG-CE1 4.41Å
171	G	91.5	Very high	93.7	Very high	10 Å²	10	46.1 Å²	46.1	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.2	-150.3	-172.5	0	0	0	0	0	112.6	G168 I190	G168-G171 PolarHBondContact N-O 3.25Å; G168-G171 PolarHBondContact O-N 3.32Å; G168-G171 VanDerWaalsContact O-N 3.12Å; G171-I190 WeakPolarHBondContact CA-O 3.23Å
172	K	94.2	Very high	93.3	Very high	24 Å²	24	54.4 Å²	54.4	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.9	-176.4	61.5	-172.7	60.2	176.9	0	111.9	L147 C149 G166 E167 V174 K189 I190	L147-K172 PolarHBondContact O-NZ 3.33Å; C149-K172 WeakPolarHBondContact SG-CD 3.5Å; G166-K172 CarbonylContact O-C 3.58Å; G166-K172 WeakPolarHBondContact O-CA 3.45Å; E167-K172 HydrophobicContact CG-CB 4.48Å; K172-V174 HydrophobicContact CD-CG1 4.45Å; K172-V174 HydrophobicContact CG-CG1 4.46Å; K172-K189 CarbonylContact O-C 3.51Å; K172-I190 HydrophobicContact CD-CD1 4.42Å; K172-I190 HydrophobicContact CG-CB 4Å; K172-I190 HydrophobicContact CG-CD1 4.26Å; K172-I190 HydrophobicContact CG-CG1 4.49Å; K172-I190 PolarHBondContact N-O 2.87Å; K172-I190 PolarHBondContact O-N 2.98Å
173	V	97	Very high	93.1	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.5	171.6	-173.8	0	0	0	0	107.4	L165 G166 A187 V188 K189	L165-V173 HydrophobicContact CB-CB 4.48Å; L165-V173 HydrophobicContact CB-CG1 4.28Å; L165-V173 HydrophobicContact CD1-CG1 4.21Å; L165-V173 PolarHBondContact N-O 3.16Å; G166-V173 PolarHBondContact N-O 2.87Å; G166-V173 VanDerWaalsContact N-O 3.11Å; G166-V173 PolarHBondContact O-N 3.05Å; V173-A187 HydrophobicContact CG1-CB 4.24Å; V173-V188 WeakPolarHBondContact CA-O 3.45Å; V173-K189 HydrophobicContact CG2-CB 4.24Å; V173-K189 HydrophobicContact CG2-CG 4.15Å
174	V	97.8	Very high	93.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.2	-178	-64.5	0	0	0	0	110.5	I161 D163 K172 A187 V188 I190	I161-V174 HydrophobicContact CD1-CG2 4.41Å; I161-V174 HydrophobicContact CG1-CG2 4.18Å; I161-V174 HydrophobicContact CG2-CB 4.12Å; I161-V174 HydrophobicContact CG2-CG1 4.29Å; D163-V174 CarbonylContact O-C 3.58Å; D163-V174 VanDerWaalsContact O-CA 3.29Å; D163-V174 WeakPolarHBondContact O-CA 3.22Å; D163-V174 WeakPolarHBondContact O-CB 3.35Å; K172-V174 HydrophobicContact CD-CG1 4.45Å; K172-V174 HydrophobicContact CG-CG1 4.46Å; V174-A187 CarbonylContact O-C 3.51Å; V174-A187 WeakPolarHBondContact O-CA 3.26Å; V174-V188 HydrophobicContact CG2-CB 4Å; V174-V188 PolarHBondContact N-O 3.35Å; V174-V188 PolarHBondContact O-N 2.81Å; V174-I190 HydrophobicContact CG1-CD1 4.49Å; V174-I190 HydrophobicContact CG2-CD1 3.84Å; V174-I190 HydrophobicContact CG2-CG1 4.36Å
175	E	98.2	Very high	93.2	Very high	37 Å²	37	53.7 Å²	53.7	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.2	166.2	-176.5	177.2	-173.2	0	0	108.2	V162 D163 L165 H185 V186 L241	V162-E175 HydrophobicContact CB-CB 4.42Å; V162-E175 HydrophobicContact CB-CG 4.28Å; V162-E175 PolarHBondContact N-O 3.25Å; D163-E175 PolarHBondContact O-N 3.13Å; L165-E175 HydrophobicContact CD1-CB 4.08Å; L165-E175 HydrophobicContact CD2-CB 4.01Å; L165-E175 HydrophobicContact CG-CB 3.98Å; E175-H185 IonicContact OE1-CE1 3.34Å; E175-H185 IonicContact OE1-CG 3.64Å; E175-H185 IonicContact OE1-ND1 2.7Å; E175-H185 PolarHBondContact OE1-ND1 3.15Å; E175-V186 WeakPolarHBondContact CA-O 3.35Å; E175-L241 HydrophobicContact CG-CD1 4.32Å; E175-L241 HydrophobicContact CG-CD2 4.11Å; E175-L241 WeakPolarHBondContact OE1-CD2 3.46Å
176	C	98.4	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149	177.1	-66.2	0	0	0	0	111.7	E160 H185 V186 V188	E160-C176 CarbonylContact O-C 3.57Å; E160-C176 WeakPolarHBondContact O-CA 3.43Å; C176-H185 CarbonylContact O-C 3.56Å; C176-H185 WeakPolarHBondContact O-CA 3.38Å; C176-V186 HydrophobicContact CB-CG2 3.95Å; C176-V186 PolarHBondContact N-O 3.34Å; C176-V186 PolarHBondContact O-N 2.83Å; C176-V188 HydrophobicContact CB-CG2 3.93Å
177	I	98.1	Very high	93.7	Very high	41 Å²	41	48.5 Å²	48.5	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.8	163	-66.5	163.5	0	0	0	107.9	Y159 E160 V162 H179	Y159-I177 WeakPolarHBondContact CA-O 3.38Å; E160-I177 HydrophobicContact CB-CB 4.5Å; E160-I177 PolarHBondContact N-O 2.82Å; E160-I177 PolarHBondContact O-N 2.76Å; V162-I177 HydrophobicContact CG2-CD1 3.7Å; V162-I177 HydrophobicContact CG2-CG1 3.59Å; I177-H179 PolarHBondContact O-N 2.71Å
178	D	97.6	Very high	94.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	101.6	173.8	-173	-14.4	0	0	0	110.9	R158 Y159 G180 M181 G183 M184 V186	R158-D178 VanDerWaalsContact CG-OD1 3.26Å; R158-D178 WeakPolarHBondContact CG-OD1 3.35Å; R158-D178 IonicContact CZ-OD1 3.42Å; R158-D178 IonicContact CZ-OD2 3.11Å; R158-D178 IonicContact NE-OD1 3.35Å; R158-D178 PolarHBondContact NE-OD1 2.95Å; R158-D178 IonicContact NE-OD2 3.22Å; R158-D178 PolarHBondContact NE-OD2 2.87Å; R158-D178 IonicContact NH2-OD1 2.95Å; R158-D178 PolarHBondContact NH2-OD1 3.28Å; R158-D178 IonicContact NH2-OD2 2.76Å; R158-D178 PolarHBondContact NH2-OD2 3.1Å; Y159-D178 HydrophobicContact CD1-CB 4.08Å; Y159-D178 HydrophobicContact CE1-CB 3.98Å; Y159-D178 WeakPolarHBondContact CE1-OD2 3.32Å; D178-G180 PolarHBondContact O-N 3.23Å; D178-G180 WeakPolarHBondContact OD1-CA 3.29Å; D178-G180 PolarHBondContact OD1-N 2.92Å; D178-M181 HydrophobicContact CB-CB 4.4Å; D178-M181 PolarHBondContact O-N 3.43Å; D178-M181 PolarHBondContact OD1-N 3.34Å; D178-M181 WeakPolarHBondContact OD2-CG 3.43Å; D178-G183 WeakPolarHBondContact O-CA 3.35Å; D178-G183 PolarHBondContact O-N 3.36Å; D178-M184 WeakPolarHBondContact CB-O 3.48Å; D178-M184 PolarHBondContact N-O 3.24Å; D178-V186 HydrophobicContact CB-CG1 4.33Å; D178-V186 HydrophobicContact CB-CG2 4.37Å
179	H	95.8	Very high	94.8	Very high	108 Å²	108	44.5 Å²	44.5	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.4	177.3	-70.6	-70.6	0	0	0	114	R158 E160 I177	R158-H179 WeakPolarHBondContact O-CB 3.46Å; R158-H179 PolarHBondContact O-CD2 3.36Å; R158-H179 VanDerWaalsContact O-CD2 3.25Å; R158-H179 PolarHBondContact O-N 3.32Å; E160-H179 WeakPolarHBondContact CB-NE2 3.25Å; E160-H179 IonicContact OE2-CE1 3.43Å; E160-H179 PolarHBondContact OE2-CE1 2.78Å; E160-H179 IonicContact OE2-NE2 2.73Å; E160-H179 PolarHBondContact OE2-NE2 3.32Å; I177-H179 PolarHBondContact O-N 2.71Å
180	G	92.8	Very high	95.5	Very high	55 Å²	55	43.7 Å²	43.7	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-12.8	174.8	0	0	0	0	0	114.2	D178	D178-G180 PolarHBondContact O-N 3.23Å; D178-G180 WeakPolarHBondContact OD1-CA 3.29Å; D178-G180 PolarHBondContact OD1-N 2.92Å
181	M	90.3	Very high	96	Very high	97 Å²	97	40.2 Å²	40.2	48%	0.478	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	56.3	-179.1	-60.5	-168.1	97.9	0	0	111.2	D178 G183 M184	D178-M181 HydrophobicContact CB-CB 4.4Å; D178-M181 PolarHBondContact O-N 3.43Å; D178-M181 PolarHBondContact OD1-N 3.34Å; D178-M181 WeakPolarHBondContact OD2-CG 3.43Å; M181-G183 PolarHBondContact O-N 2.92Å; M181-M184 HydrophobicContact CB-CB 4.29Å; M181-M184 VanDerWaalsContact O-CB 3.3Å; M181-M184 WeakPolarHBondContact O-CB 3.36Å; M181-M184 PolarHBondContact O-N 2.98Å
182	D	90.6	Very high	96.2	Very high	176 Å²	176	40.4 Å²	40.4	94%	0.941	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	30.2	175.8	-64.3	-31.4	0	0	0	115
183	G	92.3	Very high	96.2	Very high	28 Å²	28	41.9 Å²	41.9	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	21.7	179.3	0	0	0	0	0	114.2	D178 M181	D178-G183 WeakPolarHBondContact O-CA 3.35Å; D178-G183 PolarHBondContact O-N 3.36Å; M181-G183 PolarHBondContact O-N 2.92Å
184	M	96.2	Very high	96.1	Very high	93 Å²	93	42 Å²	42	46%	0.458	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.2	173.7	-177.4	173.6	177.4	0	0	111.1	D178 M181	D178-M184 WeakPolarHBondContact CB-O 3.48Å; D178-M184 PolarHBondContact N-O 3.24Å; M181-M184 HydrophobicContact CB-CB 4.29Å; M181-M184 VanDerWaalsContact O-CB 3.3Å; M181-M184 WeakPolarHBondContact O-CB 3.36Å; M181-M184 PolarHBondContact O-N 2.98Å
185	H	98	Very high	95.9	Very high	80 Å²	80	44.1 Å²	44.1	37%	0.37	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.7	174.4	-74.5	-126.1	0	0	0	110.7	E175 C176 L241	E175-H185 IonicContact OE1-CE1 3.34Å; E175-H185 IonicContact OE1-CG 3.64Å; E175-H185 IonicContact OE1-ND1 2.7Å; E175-H185 PolarHBondContact OE1-ND1 3.15Å; C176-H185 CarbonylContact O-C 3.56Å; C176-H185 WeakPolarHBondContact O-CA 3.38Å; H185-L241 HydrophobicContact CB-CD2 3.7Å
186	V	98.4	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.1	-178	-62.6	0	0	0	0	110.7	Y159 E175 C176 D178 V188 L226 V238 F239	Y159-V186 HydrophobicContact CD1-CG2 3.88Å; Y159-V186 HydrophobicContact CE1-CG2 4.16Å; E175-V186 WeakPolarHBondContact CA-O 3.35Å; C176-V186 HydrophobicContact CB-CG2 3.95Å; C176-V186 PolarHBondContact N-O 3.34Å; C176-V186 PolarHBondContact O-N 2.83Å; D178-V186 HydrophobicContact CB-CG1 4.33Å; D178-V186 HydrophobicContact CB-CG2 4.37Å; V186-V188 HydrophobicContact CG2-CG2 4.09Å; V186-L226 HydrophobicContact CG1-CD1 3.74Å; V186-V238 HydrophobicContact CB-CG1 3.9Å; V186-V238 HydrophobicContact CG1-CG1 4.28Å; V186-V238 HydrophobicContact CG2-CG1 3.88Å; V186-F239 WeakPolarHBondContact CB-O 3.27Å
187	A	98.5	Very high	95.3	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.1	169.7	0	0	0	0	0	109.8	L165 V173 V174 V238 F239 L241	L165-A187 HydrophobicContact CD1-CB 3.94Å; V173-A187 HydrophobicContact CG1-CB 4.24Å; V174-A187 CarbonylContact O-C 3.51Å; V174-A187 WeakPolarHBondContact O-CA 3.26Å; A187-V238 CarbonylContact O-C 3.58Å; A187-V238 WeakPolarHBondContact O-CA 3.36Å; A187-F239 HydrophobicContact CB-CB 4.41Å; A187-F239 PolarHBondContact N-O 3.15Å; A187-F239 PolarHBondContact O-N 3.34Å; A187-L241 HydrophobicContact CB-CD1 4.17Å
188	V	98.4	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.2	178.5	-174.3	0	0	0	0	109.6	L155 Y159 V173 V174 C176 V186 I190 C236 I237 V238	L155-V188 HydrophobicContact CD1-CG1 4.09Å; Y159-V188 HydrophobicContact CD1-CG2 4.47Å; V173-V188 WeakPolarHBondContact CA-O 3.45Å; V174-V188 HydrophobicContact CG2-CB 4Å; V174-V188 PolarHBondContact N-O 3.35Å; V174-V188 PolarHBondContact O-N 2.81Å; C176-V188 HydrophobicContact CB-CG2 3.93Å; V186-V188 HydrophobicContact CG2-CG2 4.09Å; V188-I190 HydrophobicContact CG1-CG1 4.13Å; V188-C236 HydrophobicContact CG1-CB 4.12Å; V188-I237 CarbonylContact C-O 3.43Å; V188-I237 WeakPolarHBondContact CA-O 3.48Å; V188-V238 HydrophobicContact CG2-CG1 4.37Å; V188-V238 HydrophobicContact CG2-CG2 4.28Å
189	K	97.9	Very high	95	Very high	29 Å²	29	55 Å²	55	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.6	172.1	-174.1	-179.9	-167.7	179.7	0	108.8	K172 V173 V191 E204 C236 I237 F239 D323	K172-K189 CarbonylContact O-C 3.51Å; V173-K189 HydrophobicContact CG2-CB 4.24Å; V173-K189 HydrophobicContact CG2-CG 4.15Å; K189-V191 HydrophobicContact CG-CG2 4.48Å; K189-E204 IonicContact NZ-OE1 3.91Å; K189-E204 PolarHBondContact NZ-OE1 2.88Å; K189-E204 IonicContact NZ-OE2 3.51Å; K189-E204 PolarHBondContact NZ-OE2 2.9Å; K189-C236 CarbonylContact O-C 3.46Å; K189-C236 VanDerWaalsContact O-CA 3.25Å; K189-C236 WeakPolarHBondContact O-CA 3.36Å; K189-I237 HydrophobicContact CB-CB 4.4Å; K189-I237 PolarHBondContact N-O 3.2Å; K189-I237 PolarHBondContact O-N 3.03Å; K189-F239 HydrophobicContact CB-CE2 3.94Å; K189-F239 HydrophobicContact CD-CE2 4.42Å; K189-D323 IonicContact NZ-OD1 3.38Å; K189-D323 PolarHBondContact NZ-OD1 2.88Å
190	I	97.7	Very high	94.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	108	178.4	-50.8	173.1	0	0	0	108.2	L147 L155 G171 K172 V174 V188 H234	L147-I190 HydrophobicContact CB-CG2 4.05Å; L147-I190 HydrophobicContact CD2-CD1 4.36Å; L147-I190 HydrophobicContact CD2-CG2 4.01Å; L155-I190 HydrophobicContact CD1-CD1 3.75Å; L155-I190 HydrophobicContact CD1-CG1 4.23Å; G171-I190 WeakPolarHBondContact CA-O 3.23Å; K172-I190 HydrophobicContact CD-CD1 4.42Å; K172-I190 HydrophobicContact CG-CB 4Å; K172-I190 HydrophobicContact CG-CD1 4.26Å; K172-I190 HydrophobicContact CG-CG1 4.49Å; K172-I190 PolarHBondContact N-O 2.87Å; K172-I190 PolarHBondContact O-N 2.98Å; V174-I190 HydrophobicContact CG1-CD1 4.49Å; V174-I190 HydrophobicContact CG2-CD1 3.84Å; V174-I190 HydrophobicContact CG2-CG1 4.36Å; V188-I190 HydrophobicContact CG1-CG1 4.13Å; I190-H234 HydrophobicContact CG2-CB 3.89Å
191	V	97.2	Very high	95	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	142.1	-177.2	-179.3	0	0	0	0	110.2	K189 Y197 A201 H234 V235	K189-V191 HydrophobicContact CG-CG2 4.48Å; V191-Y197 WeakPolarHBondContact CG1-O 3.35Å; V191-A201 HydrophobicContact CB-CB 4.33Å; V191-A201 HydrophobicContact CG1-CB 4.08Å; V191-A201 HydrophobicContact CG2-CB 3.73Å; V191-H234 WeakPolarHBondContact O-CB 3.4Å; V191-H234 PolarHBondContact O-ND1 2.73Å; V191-V235 HydrophobicContact CB-CB 4.23Å; V191-V235 VanDerWaalsContact CB-O 3.3Å; V191-V235 WeakPolarHBondContact CB-O 3.25Å; V191-V235 HydrophobicContact CG2-CB 4.41Å; V191-V235 WeakPolarHBondContact CG2-O 3.44Å; V191-V235 PolarHBondContact N-O 2.99Å
192	K	95	Very high	95.3	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	26%	0.262	C	S	.	.			trans	-53.5	146.1	174.4	-72.9	-179.5	174.5	-173	0	112.3	E144 G145 H146 A169 F170 V194 Y197	E144-K192 IonicContact OE2-NZ 3.2Å; E144-K192 PolarHBondContact OE2-NZ 3.26Å; G145-K192 CarbonylContact O-C 3.51Å; G145-K192 VanDerWaalsContact O-CA 3.24Å; G145-K192 WeakPolarHBondContact O-CA 3.19Å; G145-K192 WeakPolarHBondContact O-CB 3.38Å; H146-K192 WeakPolarHBondContact CD2-CE 3.37Å; H146-K192 WeakPolarHBondContact CE1-CE 3.17Å; H146-K192 PolarHBondContact CE1-NZ 3.17Å; H146-K192 WeakPolarHBondContact NE2-CE 3.4Å; H146-K192 PolarHBondContact NE2-NZ 3.11Å; A169-K192 VanDerWaalsContact O-CD 3.29Å; A169-K192 WeakPolarHBondContact O-CD 3.24Å; A169-K192 WeakPolarHBondContact O-CE 3.37Å; A169-K192 PolarHBondContact O-NZ 2.92Å; A169-K192 VanDerWaalsContact O-NZ 3.15Å; F170-K192 PolarHBondContact O-N 3.23Å; K192-V194 HydrophobicContact CB-CG2 4.18Å; K192-V194 PolarHBondContact O-N 2.89Å; K192-Y197 HydrophobicContact CB-CD2 3.92Å; K192-Y197 HydrophobicContact CD-CD2 3.91Å; K192-Y197 HydrophobicContact CD-CE2 3.79Å; K192-Y197 HydrophobicContact CG-CD2 4.48Å
193	N	94.3	Very high	95.5	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.294	23%	0.231	S	C	.	.	S	Bend	trans	-80.2	55.8	175.9	-165.8	11.6	0	0	0	111.5	D141 G145 R198 G233 H234	D141-N193 PolarHBondContact OD2-ND2 3.23Å; G145-N193 PolarHBondContact O-N 3.38Å; N193-R198 PolarHBondContact OD1-NH1 3.45Å; N193-G233 PolarHBondContact OD1-O 3.31Å; N193-G233 VanDerWaalsContact OD1-O 3.13Å; N193-H234 PolarHBondContact N-ND1 2.97Å
194	V	94.2	Very high	95.7	Very high	50 Å²	50	43.4 Å²	43.4	30%	0.303	22%	0.219	S	C	.	.			trans	-126.4	129.7	178.6	-178.1	0	0	0	0	108.1	K192 R196 Y197 R198	K192-V194 HydrophobicContact CB-CG2 4.18Å; K192-V194 PolarHBondContact O-N 2.89Å; V194-R196 HydrophobicContact CG1-CG 4.1Å; V194-R196 PolarHBondContact O-N 3.16Å; V194-Y197 HydrophobicContact CB-CD2 3.79Å; V194-Y197 HydrophobicContact CG1-CD2 4.25Å; V194-Y197 HydrophobicContact CG2-CD2 4.24Å; V194-Y197 PolarHBondContact O-N 3.43Å; V194-R198 WeakPolarHBondContact O-CG 3.26Å; V194-R198 PolarHBondContact O-N 3.09Å
195	G	93.4	Very high	95.8	Very high	45 Å²	45	39.3 Å²	39.3	46%	0.464	20%	0.199	S	C	.	.	H	α-helix	trans	-45.6	-52.5	-171.5	0	0	0	0	0	114.4	Y197 R198 E199	G195-Y197 VanDerWaalsContact C-N 3.32Å; G195-Y197 PolarHBondContact O-N 3.23Å; G195-R198 PolarHBondContact O-N 3.06Å; G195-E199 WeakPolarHBondContact O-CG 3.48Å; G195-E199 PolarHBondContact O-N 2.83Å
196	R	91.5	Very high	95.9	Very high	99 Å²	99	41 Å²	41	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-39.7	179.3	72.3	-177.7	-178.3	154.4	0.6	114	N78 V194 A200	N78-R196 PolarHBondContact ND2-NH1 3.34Å; N78-R196 PolarHBondContact OD1-NH1 3.19Å; V194-R196 HydrophobicContact CG1-CG 4.1Å; V194-R196 PolarHBondContact O-N 3.16Å; R196-A200 PolarHBondContact O-N 2.95Å; R196-A200 VanDerWaalsContact O-N 3.11Å
197	Y	92.9	Very high	95.8	Very high	17 Å²	17	41.1 Å²	41.1	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-76.7	-34.3	-178.4	-66.8	-49	0	0	0	111	D74 A169 F170 V191 K192 V194 G195 A200 A201	D74-Y197 PolarHBondContact OD2-OH 3.21Å; A169-Y197 PolarHBondContact O-OH 2.77Å; F170-Y197 AromaticContact CD1-CD1 3.5Å; F170-Y197 HydrophobicContact CD1-CD1 3.5Å; F170-Y197 AromaticContact CD1-CE1 3.65Å; F170-Y197 HydrophobicContact CD1-CE1 3.65Å; F170-Y197 AromaticContact CE1-CD1 3.95Å; F170-Y197 HydrophobicContact CE1-CD1 3.95Å; F170-Y197 AromaticContact CE1-CE1 3.85Å; F170-Y197 HydrophobicContact CE1-CE1 3.85Å; F170-Y197 HydrophobicContact CG-CD1 4.44Å; F170-Y197 HydrophobicContact CG-CE1 4.41Å; V191-Y197 WeakPolarHBondContact CG1-O 3.35Å; K192-Y197 HydrophobicContact CB-CD2 3.92Å; K192-Y197 HydrophobicContact CD-CD2 3.91Å; K192-Y197 HydrophobicContact CD-CE2 3.79Å; K192-Y197 HydrophobicContact CG-CD2 4.48Å; V194-Y197 HydrophobicContact CB-CD2 3.79Å; V194-Y197 HydrophobicContact CG1-CD2 4.25Å; V194-Y197 HydrophobicContact CG2-CD2 4.24Å; V194-Y197 PolarHBondContact O-N 3.43Å; G195-Y197 VanDerWaalsContact C-N 3.32Å; G195-Y197 PolarHBondContact O-N 3.23Å; Y197-A200 PolarHBondContact O-N 3.15Å; Y197-A201 WeakPolarHBondContact O-CB 3.22Å; Y197-A201 PolarHBondContact O-N 3.5Å
198	R	95.3	Very high	95.9	Very high	51 Å²	51	40.7 Å²	40.7	19%	0.192	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-38.9	173.9	-64.3	177.9	59.7	144.5	13.6	112.3	N193 V194 G195 A201 R202 D230 G233 V235	N193-R198 PolarHBondContact OD1-NH1 3.45Å; V194-R198 WeakPolarHBondContact O-CG 3.26Å; V194-R198 PolarHBondContact O-N 3.09Å; G195-R198 PolarHBondContact O-N 3.06Å; R198-A201 PolarHBondContact O-N 2.71Å; R198-R202 WeakPolarHBondContact O-CG 3.36Å; R198-R202 PolarHBondContact O-N 3.31Å; R198-D230 IonicContact CZ-OD2 3.49Å; R198-D230 IonicContact NH2-OD2 3.52Å; R198-D230 PolarHBondContact NH2-OD2 3.34Å; R198-G233 WeakPolarHBondContact CD-O 3.47Å; R198-G233 PolarHBondContact NE-O 3.05Å; R198-G233 VanDerWaalsContact NH1-C 3.33Å; R198-G233 PolarHBondContact NH1-O 3.24Å; R198-V235 HydrophobicContact CB-CG2 4.24Å; R198-V235 HydrophobicContact CG-CG2 4.25Å
199	E	93.6	Very high	95.9	Very high	140 Å²	140	45 Å²	45	65%	0.654	22%	0.224	S	C	*	.	H	α-helix	trans	-64.7	-46.9	173.9	-74	172.9	-173	0	0	111.3	G195 A201 R202 S203	G195-E199 WeakPolarHBondContact O-CG 3.48Å; G195-E199 PolarHBondContact O-N 2.83Å; E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 2.95Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.11Å; E199-R202 VanDerWaalsContact O-N 3.11Å; E199-S203 PolarHBondContact O-N 3.37Å
200	A	92.7	Very high	95.9	Very high	27 Å²	27	46.1 Å²	46.1	22%	0.223	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-43.3	174.3	0	0	0	0	0	112.1	R196 Y197 R202 S203 E204	R196-A200 PolarHBondContact O-N 2.95Å; R196-A200 VanDerWaalsContact O-N 3.11Å; Y197-A200 PolarHBondContact O-N 3.15Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 3.25Å; A200-S203 WeakPolarHBondContact O-CB 3.11Å; A200-S203 PolarHBondContact O-N 2.95Å; A200-E204 PolarHBondContact O-N 3.36Å
201	A	96.1	Very high	95.9	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-33.7	176.5	0	0	0	0	0	113.2	V191 Y197 R198 E199 E204 I205 V235	V191-A201 HydrophobicContact CB-CB 4.33Å; V191-A201 HydrophobicContact CG1-CB 4.08Å; V191-A201 HydrophobicContact CG2-CB 3.73Å; Y197-A201 WeakPolarHBondContact O-CB 3.22Å; Y197-A201 PolarHBondContact O-N 3.5Å; R198-A201 PolarHBondContact O-N 2.71Å; E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 2.95Å; A201-E204 WeakPolarHBondContact O-CB 3.35Å; A201-E204 PolarHBondContact O-N 3.34Å; A201-I205 WeakPolarHBondContact O-CD1 3.4Å; A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.44Å; A201-I205 PolarHBondContact O-N 3.36Å; A201-V235 HydrophobicContact CB-CB 4.17Å; A201-V235 HydrophobicContact CB-CG1 3.97Å
202	R	96.4	Very high	96	Very high	140 Å²	140	47.6 Å²	47.6	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-68.8	-38.2	173.9	-74.2	176.9	177.5	-173.4	-0	112.1	R198 E199 A200 E204 I205 Q206	R198-R202 WeakPolarHBondContact O-CG 3.36Å; R198-R202 PolarHBondContact O-N 3.31Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.11Å; E199-R202 VanDerWaalsContact O-N 3.11Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 3.25Å; R202-E204 VanDerWaalsContact C-N 3.33Å; R202-I205 PolarHBondContact O-N 3.3Å; R202-Q206 WeakPolarHBondContact O-CG 3.5Å; R202-Q206 PolarHBondContact O-N 2.92Å; R202-Q206 VanDerWaalsContact O-N 3.12Å
203	S	95.2	Very high	96.1	Very high	43 Å²	43	51 Å²	51	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-44.7	171.9	-156.2	0	0	0	0	110.9	E199 A200 I205 Q206 V207	E199-S203 PolarHBondContact O-N 3.37Å; A200-S203 WeakPolarHBondContact O-CB 3.11Å; A200-S203 PolarHBondContact O-N 2.95Å; S203-I205 PolarHBondContact O-N 3.25Å; S203-Q206 PolarHBondContact O-N 3.41Å; S203-V207 PolarHBondContact O-N 3.01Å; S203-V207 VanDerWaalsContact O-N 3.13Å
204	E	97.6	Very high	96.3	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-45.3	175.8	-171.2	174.7	-173.6	0	0	111.9	K189 A200 A201 R202 Q206 V207 L208 I237 F324	K189-E204 IonicContact NZ-OE1 3.91Å; K189-E204 PolarHBondContact NZ-OE1 2.88Å; K189-E204 IonicContact NZ-OE2 3.51Å; K189-E204 PolarHBondContact NZ-OE2 2.9Å; A200-E204 PolarHBondContact O-N 3.36Å; A201-E204 WeakPolarHBondContact O-CB 3.35Å; A201-E204 PolarHBondContact O-N 3.34Å; R202-E204 VanDerWaalsContact C-N 3.33Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 3.34Å; E204-V207 PolarHBondContact O-N 3.5Å; E204-L208 HydrophobicContact CG-CD1 3.87Å; E204-L208 HydrophobicContact CG-CG 4.45Å; E204-L208 WeakPolarHBondContact O-CB 3.3Å; E204-L208 VanDerWaalsContact O-CG 3.31Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 3.27Å; E204-I237 HydrophobicContact CG-CD1 4.49Å; E204-F324 HydrophobicContact CG-CB 4.42Å
205	I	98.5	Very high	96.5	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-44.4	176.5	-72.2	161.2	0	0	0	111	A201 R202 S203 V207 L208 E209 M225 W228 V235 I237	A201-I205 WeakPolarHBondContact O-CD1 3.4Å; A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.44Å; A201-I205 PolarHBondContact O-N 3.36Å; R202-I205 PolarHBondContact O-N 3.3Å; S203-I205 PolarHBondContact O-N 3.25Å; I205-V207 PolarHBondContact O-N 2.87Å; I205-L208 PolarHBondContact O-N 3.21Å; I205-E209 HydrophobicContact CG2-CG 4.19Å; I205-E209 WeakPolarHBondContact O-CB 3.39Å; I205-E209 WeakPolarHBondContact O-CG 3.43Å; I205-E209 PolarHBondContact O-N 2.85Å; I205-M225 HydrophobicContact CG1-SD 4.34Å; I205-M225 HydrophobicContact CG2-CE 4.39Å; I205-M225 HydrophobicContact CG2-SD 4.42Å; I205-W228 HydrophobicContact CD1-CB 3.95Å; I205-W228 HydrophobicContact CD1-CD2 3.79Å; I205-W228 HydrophobicContact CD1-CE3 4Å; I205-W228 HydrophobicContact CD1-CG 3.76Å; I205-W228 HydrophobicContact CG1-CB 4.25Å; I205-W228 HydrophobicContact CG1-CG 4.17Å; I205-W228 HydrophobicContact CG2-CD2 4.4Å; I205-W228 HydrophobicContact CG2-CG 4.08Å; I205-V235 HydrophobicContact CD1-CG1 3.72Å; I205-I237 HydrophobicContact CD1-CD1 4.23Å; I205-I237 HydrophobicContact CD1-CG1 4.14Å; I205-I237 HydrophobicContact CG1-CD1 3.76Å; I205-I237 HydrophobicContact CG1-CG1 3.98Å
206	Q	98.3	Very high	96.7	Very high	117 Å²	117	51.4 Å²	51.4	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-41.3	179.4	-71.2	172.4	-5.9	0	0	112.3	R202 S203 E204 H210	R202-Q206 WeakPolarHBondContact O-CG 3.5Å; R202-Q206 PolarHBondContact O-N 2.92Å; R202-Q206 VanDerWaalsContact O-N 3.12Å; S203-Q206 PolarHBondContact O-N 3.41Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 3.34Å; Q206-H210 WeakPolarHBondContact O-CB 3.19Å; Q206-H210 PolarHBondContact O-N 3.34Å
207	V	98.4	Very high	96.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-47.9	173.9	174.3	0	0	0	0	110.2	S203 E204 I205 E209 H210 L211 L282 F324 A327 Y329	S203-V207 PolarHBondContact O-N 3.01Å; S203-V207 VanDerWaalsContact O-N 3.13Å; E204-V207 PolarHBondContact O-N 3.5Å; I205-V207 PolarHBondContact O-N 2.87Å; V207-E209 PolarHBondContact O-N 3.47Å; V207-H210 PolarHBondContact O-N 2.84Å; V207-L211 HydrophobicContact CG1-CD1 3.89Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 3.24Å; V207-L282 HydrophobicContact CG1-CD1 4.03Å; V207-L282 HydrophobicContact CG1-CD2 4.41Å; V207-L282 HydrophobicContact CG2-CD2 4.24Å; V207-F324 HydrophobicContact CG1-CB 3.99Å; V207-F324 HydrophobicContact CG1-CD1 4.38Å; V207-F324 HydrophobicContact CG1-CG 4.4Å; V207-A327 HydrophobicContact CG1-CB 4.13Å; V207-A327 HydrophobicContact CG2-CB 4.37Å; V207-Y329 HydrophobicContact CG2-CE2 3.89Å
208	L	98.6	Very high	97	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-41.6	179.8	-73.2	166	0	0	0	112.8	E204 I205 L211 N212 V223 M225 I237 F239 F324	E204-L208 HydrophobicContact CG-CD1 3.87Å; E204-L208 HydrophobicContact CG-CG 4.45Å; E204-L208 WeakPolarHBondContact O-CB 3.3Å; E204-L208 VanDerWaalsContact O-CG 3.31Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 3.27Å; I205-L208 PolarHBondContact O-N 3.21Å; L208-L211 PolarHBondContact O-N 3.11Å; L208-N212 VanDerWaalsContact O-CB 3.24Å; L208-N212 WeakPolarHBondContact O-CB 3.37Å; L208-N212 PolarHBondContact O-N 3.07Å; L208-V223 HydrophobicContact CD2-CG1 4.19Å; L208-M225 HydrophobicContact CB-CB 4Å; L208-M225 HydrophobicContact CB-CE 4.22Å; L208-M225 HydrophobicContact CB-SD 4Å; L208-M225 HydrophobicContact CD1-CB 4.19Å; L208-M225 HydrophobicContact CD1-CG 4.44Å; L208-M225 HydrophobicContact CD1-SD 4.02Å; L208-M225 HydrophobicContact CD2-CB 4.45Å; L208-M225 HydrophobicContact CG-CB 4.46Å; L208-I237 HydrophobicContact CD1-CG2 4.19Å; L208-F239 HydrophobicContact CD1-CE1 3.58Å; L208-F239 HydrophobicContact CD1-CZ 3.75Å; L208-F239 HydrophobicContact CD2-CE1 4.01Å; L208-F239 HydrophobicContact CG-CE1 4.46Å; L208-F324 HydrophobicContact CD2-CD2 3.66Å; L208-F324 HydrophobicContact CD2-CE2 4.25Å; L208-F324 HydrophobicContact CD2-CG 4.4Å
209	E	98.6	Very high	97.1	Very high	91 Å²	91	54.5 Å²	54.5	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-45	174.9	-74.2	178.1	166.3	0	0	111	I205 V207 S213 M225 W228	I205-E209 HydrophobicContact CG2-CG 4.19Å; I205-E209 WeakPolarHBondContact O-CB 3.39Å; I205-E209 WeakPolarHBondContact O-CG 3.43Å; I205-E209 PolarHBondContact O-N 2.85Å; V207-E209 PolarHBondContact O-N 3.47Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.04Å; E209-S213 PolarHBondContact O-OG 3.15Å; E209-M225 HydrophobicContact CG-CE 3.48Å; E209-M225 VanDerWaalsContact CG-CE 3.48Å; E209-W228 PolarHBondContact OE1-NE1 3.47Å
210	H	98.5	Very high	97.3	Very high	52 Å²	52	51.2 Å²	51.2	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-53.9	175.3	173.8	-153.2	0	0	0	111.3	Q206 V207 N212 S213 T214 Y329	Q206-H210 WeakPolarHBondContact O-CB 3.19Å; Q206-H210 PolarHBondContact O-N 3.34Å; V207-H210 PolarHBondContact O-N 2.84Å; H210-N212 PolarHBondContact O-N 3.09Å; H210-S213 PolarHBondContact O-N 3.06Å; H210-S213 VanDerWaalsContact O-N 3.12Å; H210-S213 PolarHBondContact O-OG 2.98Å; H210-T214 PolarHBondContact CD2-OG1 3.16Å; H210-T214 VanDerWaalsContact CD2-OG1 3.29Å; H210-T214 PolarHBondContact NE2-OG1 2.83Å; H210-T214 PolarHBondContact O-N 3.05Å; H210-T214 PolarHBondContact O-OG1 2.83Å; H210-T214 VanDerWaalsContact O-OG1 3.11Å; H210-Y329 AromaticContact ND1-CE1 3.64Å; H210-Y329 AromaticContact ND1-CZ 3.67Å; H210-Y329 PolarHBondContact ND1-OH 3.16Å
211	L	98.3	Very high	97.5	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-43.6	-178.6	-64.2	178.3	0	0	0	112	V207 L208 S213 T214 D215 C222 F276 L277 L282 F324	V207-L211 HydrophobicContact CG1-CD1 3.89Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 3.24Å; L208-L211 PolarHBondContact O-N 3.11Å; L211-S213 VanDerWaalsContact C-N 3.33Å; L211-S213 PolarHBondContact O-N 3.34Å; L211-T214 PolarHBondContact O-N 3.22Å; L211-D215 PolarHBondContact O-N 2.84Å; L211-C222 HydrophobicContact CD1-CB 4.48Å; L211-F276 HydrophobicContact CD2-CD1 4.42Å; L211-F276 HydrophobicContact CD2-CE1 3.68Å; L211-F276 HydrophobicContact CD2-CZ 4.24Å; L211-L277 HydrophobicContact CD1-CD1 4.35Å; L211-L277 HydrophobicContact CD2-CD1 4.32Å; L211-L282 HydrophobicContact CD2-CD1 3.88Å; L211-L282 HydrophobicContact CG-CD1 4.44Å; L211-F324 HydrophobicContact CD1-CD1 3.84Å; L211-F324 HydrophobicContact CD1-CE1 3.72Å; L211-F324 HydrophobicContact CD1-CG 4.31Å; L211-F324 HydrophobicContact CD1-CZ 4.1Å
212	N	98.3	Very high	97.7	Very high	34 Å²	34	53 Å²	53	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-36.6	176	-82.8	2.8	0	0	0	112.7	L208 H210 D215 P216 M225	L208-N212 VanDerWaalsContact O-CB 3.24Å; L208-N212 WeakPolarHBondContact O-CB 3.37Å; L208-N212 PolarHBondContact O-N 3.07Å; H210-N212 PolarHBondContact O-N 3.09Å; N212-D215 CarbonylContact O-C 3.44Å; N212-P216 WeakPolarHBondContact O-CA 3.34Å; N212-P216 VanDerWaalsContact O-N 3.16Å; N212-M225 PolarHBondContact ND2-N 3.3Å; N212-M225 PolarHBondContact ND2-O 2.89Å
213	S	98.3	Very high	97.8	Very high	87 Å²	87	46.7 Å²	46.7	61%	0.608	26%	0.255	S	S	*	.	H	α-helix	trans	-70.7	-36.5	178.3	74.5	0	0	0	0	112.2	E209 H210 L211	E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.04Å; E209-S213 PolarHBondContact O-OG 3.15Å; H210-S213 PolarHBondContact O-N 3.06Å; H210-S213 VanDerWaalsContact O-N 3.12Å; H210-S213 PolarHBondContact O-OG 2.98Å; L211-S213 VanDerWaalsContact C-N 3.33Å; L211-S213 PolarHBondContact O-N 3.34Å
214	T	98.3	Very high	97.9	Very high	66 Å²	66	46.9 Å²	46.9	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-78.6	-34.8	-179.8	-56.3	0	0	0	0	111.8	H210 L211 F276	H210-T214 PolarHBondContact CD2-OG1 3.16Å; H210-T214 VanDerWaalsContact CD2-OG1 3.29Å; H210-T214 PolarHBondContact NE2-OG1 2.83Å; H210-T214 PolarHBondContact O-N 3.05Å; H210-T214 PolarHBondContact O-OG1 2.83Å; H210-T214 VanDerWaalsContact O-OG1 3.11Å; L211-T214 PolarHBondContact O-N 3.22Å; T214-F276 HydrophobicContact CG2-CE2 3.77Å; T214-F276 HydrophobicContact CG2-CZ 3.96Å
215	D	98.2	Very high	98	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	25%	0.253	C	S	.	.			trans	-130.7	72.9	177.8	-178.3	25.4	0	0	0	112.1	L211 N212 N217 S218 V219 F220 F276	L211-D215 PolarHBondContact O-N 2.84Å; N212-D215 CarbonylContact O-C 3.44Å; D215-N217 PolarHBondContact O-N 2.98Å; D215-N217 VanDerWaalsContact O-N 3.13Å; D215-S218 PolarHBondContact O-N 2.78Å; D215-S218 VanDerWaalsContact O-N 3.1Å; D215-S218 PolarHBondContact OD1-N 2.82Å; D215-S218 WeakPolarHBondContact OD2-CA 3.14Å; D215-V219 VanDerWaalsContact CG-N 3.31Å; D215-V219 PolarHBondContact OD1-N 3.32Å; D215-V219 PolarHBondContact OD2-N 3.44Å; D215-F220 HydrophobicContact CB-CD2 3.96Å; D215-F220 WeakPolarHBondContact OD2-CD2 3.33Å; D215-F220 PolarHBondContact OD2-N 3.43Å; D215-F276 HydrophobicContact CB-CE1 4.23Å; D215-F276 HydrophobicContact CB-CE2 4.25Å; D215-F276 HydrophobicContact CB-CZ 3.71Å
216	P	96.7	Very high	97.9	Very high	79 Å²	79	50.3 Å²	50.3	51%	0.513	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.4	-175.4	26.2	-35.5	0	0	0	113.9	N212 Q224	N212-P216 WeakPolarHBondContact O-CA 3.34Å; N212-P216 VanDerWaalsContact O-N 3.16Å; P216-Q224 PolarHBondContact O-NE2 2.93Å
217	N	95.4	Very high	97.9	Very high	135 Å²	135	46.8 Å²	46.8	72%	0.722	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	2.9	179.4	-63.6	-49.3	0	0	0	112.8	D215 V219	D215-N217 PolarHBondContact O-N 2.98Å; D215-N217 VanDerWaalsContact O-N 3.13Å; N217-V219 HydrophobicContact CB-CG2 4.01Å; N217-V219 PolarHBondContact O-N 3.1Å
218	S	95.5	Very high	97.9	Very high	12 Å²	12	52 Å²	52	8%	0.084	27%	0.272	C	S	.	.			trans	53	38.2	-178	-167.1	0	0	0	0	112.7	D215 F220 R221 C222 K320	D215-S218 PolarHBondContact O-N 2.78Å; D215-S218 VanDerWaalsContact O-N 3.1Å; D215-S218 PolarHBondContact OD1-N 2.82Å; D215-S218 WeakPolarHBondContact OD2-CA 3.14Å; S218-F220 PolarHBondContact O-N 3.12Å; S218-R221 PolarHBondContact O-N 3.32Å; S218-C222 PolarHBondContact OG-O 3.42Å; S218-K320 WeakPolarHBondContact OG-CE 3.24Å; S218-K320 PolarHBondContact OG-NZ 2.9Å
219	V	97.4	Very high	97.8	Very high	84 Å²	84	52.3 Å²	52.3	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-35	176	179	0	0	0	0	110.6	D215 N217 R221	D215-V219 VanDerWaalsContact CG-N 3.31Å; D215-V219 PolarHBondContact OD1-N 3.32Å; D215-V219 PolarHBondContact OD2-N 3.44Å; N217-V219 HydrophobicContact CB-CG2 4.01Å; N217-V219 PolarHBondContact O-N 3.1Å; V219-R221 VanDerWaalsContact C-N 3.31Å
220	F	98.1	Very high	97.7	Very high	72 Å²	72	51.8 Å²	51.8	32%	0.316	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	11.9	177.7	-57	-73.5	0	0	0	113.2	D215 S218 C222 Q272 S273 F276	D215-F220 HydrophobicContact CB-CD2 3.96Å; D215-F220 WeakPolarHBondContact OD2-CD2 3.33Å; D215-F220 PolarHBondContact OD2-N 3.43Å; S218-F220 PolarHBondContact O-N 3.12Å; F220-C222 PolarHBondContact O-N 3.08Å; F220-C222 VanDerWaalsContact O-N 3.12Å; F220-Q272 HydrophobicContact CD1-CG 4.1Å; F220-S273 WeakPolarHBondContact O-CA 3.47Å; F220-S273 WeakPolarHBondContact O-CB 3.24Å; F220-S273 PolarHBondContact O-OG 3.05Å; F220-F276 HydrophobicContact CB-CB 3.64Å; F220-F276 HydrophobicContact CB-CD1 3.6Å; F220-F276 HydrophobicContact CB-CD2 4.21Å; F220-F276 HydrophobicContact CB-CE1 4.28Å; F220-F276 HydrophobicContact CB-CG 3.56Å; F220-F276 HydrophobicContact CD1-CB 3.69Å; F220-F276 HydrophobicContact CD1-CD2 4.28Å; F220-F276 HydrophobicContact CD1-CG 4.1Å; F220-F276 HydrophobicContact CD2-CB 4.16Å; F220-F276 HydrophobicContact CD2-CD1 4.16Å; F220-F276 AromaticContact CD2-CD2 3.34Å; F220-F276 HydrophobicContact CD2-CD2 3.34Å; F220-F276 HydrophobicContact CD2-CE1 4.39Å; F220-F276 AromaticContact CD2-CE2 3.64Å; F220-F276 HydrophobicContact CD2-CE2 3.64Å; F220-F276 AromaticContact CD2-CG 3.63Å; F220-F276 HydrophobicContact CD2-CG 3.63Å; F220-F276 HydrophobicContact CD2-CZ 4.16Å; F220-F276 HydrophobicContact CE1-CB 4.38Å; F220-F276 AromaticContact CE2-CD2 3.66Å; F220-F276 HydrophobicContact CE2-CD2 3.66Å; F220-F276 AromaticContact CE2-CE2 3.94Å; F220-F276 HydrophobicContact CE2-CE2 3.94Å; F220-F276 HydrophobicContact CE2-CG 4.34Å; F220-F276 HydrophobicContact CG-CB 3.57Å; F220-F276 HydrophobicContact CG-CD1 4.03Å; F220-F276 AromaticContact CG-CD2 3.69Å; F220-F276 HydrophobicContact CG-CD2 3.69Å; F220-F276 HydrophobicContact CG-CE2 4.37Å; F220-F276 AromaticContact CG-CG 3.49Å; F220-F276 HydrophobicContact CG-CG 3.49Å; F220-F276 VanDerWaalsContact CG-CG 3.49Å; F220-F276 HydrophobicContact CZ-CD2 4.25Å
221	R	98.2	Very high	97.6	Very high	61 Å²	61	50.2 Å²	50.2	23%	0.23	27%	0.266	C	S	.	.			trans	60.7	27.7	164.1	-55.9	173.6	179	-90.6	5.3	115	S218 V219 D318 K320 V321	S218-R221 PolarHBondContact O-N 3.32Å; V219-R221 VanDerWaalsContact C-N 3.31Å; R221-D318 IonicContact CZ-OD1 3.63Å; R221-D318 IonicContact NH1-OD1 2.83Å; R221-D318 PolarHBondContact NH1-OD1 2.95Å; R221-D318 IonicContact NH2-OD1 3.57Å; R221-D318 PolarHBondContact NH2-OD1 3.34Å; R221-D318 VanDerWaalsContact NH2-OD1 3.11Å; R221-K320 HydrophobicContact CB-CG 4.28Å; R221-K320 CarbonylContact O-C 3.58Å; R221-K320 WeakPolarHBondContact O-CA 3.24Å; R221-K320 WeakPolarHBondContact O-CB 3.31Å; R221-V321 PolarHBondContact O-N 3.11Å
222	C	98.5	Very high	97.3	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.047	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-76.9	144.2	161.9	-61.2	0	0	0	0	109	L211 S218 F220 Q224 L277 F324	L211-C222 HydrophobicContact CD1-CB 4.48Å; S218-C222 PolarHBondContact OG-O 3.42Å; F220-C222 PolarHBondContact O-N 3.08Å; F220-C222 VanDerWaalsContact O-N 3.12Å; C222-Q224 PolarHBondContact O-N 3.32Å; C222-L277 WeakPolarHBondContact SG-CD1 3.39Å; C222-F324 HydrophobicContact CB-CE2 4.29Å; C222-F324 HydrophobicContact CB-CZ 3.77Å
223	V	98.4	Very high	97.1	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.042	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.8	135.8	174.9	74.8	0	0	0	0	111.2	L208 F239 E240 L242 V321 V322 F324	L208-V223 HydrophobicContact CD2-CG1 4.19Å; V223-F239 HydrophobicContact CB-CD1 4.5Å; V223-F239 HydrophobicContact CG1-CD1 3.8Å; V223-F239 HydrophobicContact CG1-CE1 3.85Å; V223-F239 HydrophobicContact CG2-CB 4.13Å; V223-F239 HydrophobicContact CG2-CD1 3.87Å; V223-F239 HydrophobicContact CG2-CG 4.29Å; V223-E240 HydrophobicContact CG2-CG 4.24Å; V223-L242 HydrophobicContact CG2-CD1 4.02Å; V223-V321 PolarHBondContact N-O 3.07Å; V223-V322 HydrophobicContact CB-CG1 3.98Å; V223-V322 HydrophobicContact CG1-CB 4.42Å; V223-V322 HydrophobicContact CG1-CG1 4.39Å; V223-V322 HydrophobicContact CG2-CG1 4.24Å; V223-F324 HydrophobicContact CG1-CD2 4.29Å; V223-F324 HydrophobicContact CG1-CE2 3.87Å
224	Q	98.3	Very high	97	Very high	46 Å²	46	50.2 Å²	50.2	22%	0.215	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-86.9	120.2	177.4	-63.5	-161.7	-65.2	0	0	110.7	P216 C222 F239 E240	P216-Q224 PolarHBondContact O-NE2 2.93Å; C222-Q224 PolarHBondContact O-N 3.32Å; Q224-F239 WeakPolarHBondContact O-CA 3.43Å; Q224-E240 WeakPolarHBondContact CB-OE1 3.47Å; Q224-E240 PolarHBondContact N-OE1 3.02Å; Q224-E240 PolarHBondContact O-N 3Å
225	M	98.5	Very high	97	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123	163.3	-175.1	-177.8	69.6	0	0	109.2	I205 L208 E209 N212 W228 I237 V238 F239	I205-M225 HydrophobicContact CG1-SD 4.34Å; I205-M225 HydrophobicContact CG2-CE 4.39Å; I205-M225 HydrophobicContact CG2-SD 4.42Å; L208-M225 HydrophobicContact CB-CB 4Å; L208-M225 HydrophobicContact CB-CE 4.22Å; L208-M225 HydrophobicContact CB-SD 4Å; L208-M225 HydrophobicContact CD1-CB 4.19Å; L208-M225 HydrophobicContact CD1-CG 4.44Å; L208-M225 HydrophobicContact CD1-SD 4.02Å; L208-M225 HydrophobicContact CD2-CB 4.45Å; L208-M225 HydrophobicContact CG-CB 4.46Å; E209-M225 HydrophobicContact CG-CE 3.48Å; E209-M225 VanDerWaalsContact CG-CE 3.48Å; N212-M225 PolarHBondContact ND2-N 3.3Å; N212-M225 PolarHBondContact ND2-O 2.89Å; M225-W228 HydrophobicContact SD-CB 4.38Å; M225-I237 HydrophobicContact CG-CG2 3.64Å; M225-I237 HydrophobicContact SD-CG2 3.62Å; M225-V238 CarbonylContact C-O 3.59Å; M225-V238 WeakPolarHBondContact CA-O 3.27Å; M225-F239 HydrophobicContact CB-CD1 4.3Å; M225-F239 HydrophobicContact CB-CE1 4.18Å
226	L	97.7	Very high	97	Very high	71 Å²	71	46.6 Å²	46.6	37%	0.372	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-44.2	178.2	-57.3	-179.3	0	0	0	110.8	V186 V238	V186-L226 HydrophobicContact CG1-CD1 3.74Å; L226-V238 HydrophobicContact CB-CB 4.46Å; L226-V238 HydrophobicContact CB-CG1 4.25Å; L226-V238 HydrophobicContact CD1-CG1 4.29Å; L226-V238 PolarHBondContact N-O 2.92Å
227	E	97.2	Very high	97.1	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.201	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	176.3	172.3	67	-174.7	93.7	0	0	111.2	R156 R158 Y159 V238	R156-E227 IonicContact CZ-OE2 3.79Å; R156-E227 IonicContact NH1-OE2 3.51Å; R156-E227 PolarHBondContact NH1-OE2 3.16Å; R158-E227 IonicContact CZ-OE1 2.85Å; R158-E227 IonicContact NH1-OE1 2.81Å; R158-E227 PolarHBondContact NH1-OE1 3.46Å; R158-E227 IonicContact NH1-OE2 2.79Å; R158-E227 IonicContact NH2-OE1 2.62Å; R158-E227 PolarHBondContact NH2-OE1 3.42Å; Y159-E227 WeakPolarHBondContact OH-CG 3.07Å; Y159-E227 PolarHBondContact OH-OE1 2.78Å; Y159-E227 PolarHBondContact OH-OE2 3.42Å; E227-V238 HydrophobicContact CG-CB 4.02Å; E227-V238 HydrophobicContact CG-CG2 3.79Å; E227-V238 WeakPolarHBondContact O-CB 3.49Å; E227-V238 PolarHBondContact O-N 2.98Å
228	W	98.4	Very high	97.3	Very high	110 Å²	110	36.4 Å²	36.4	42%	0.417	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.1	169.2	70.2	-91.5	0	0	0	110.7	I205 E209 M225 C236	I205-W228 HydrophobicContact CD1-CB 3.95Å; I205-W228 HydrophobicContact CD1-CD2 3.79Å; I205-W228 HydrophobicContact CD1-CE3 4Å; I205-W228 HydrophobicContact CD1-CG 3.76Å; I205-W228 HydrophobicContact CG1-CB 4.25Å; I205-W228 HydrophobicContact CG1-CG 4.17Å; I205-W228 HydrophobicContact CG2-CD2 4.4Å; I205-W228 HydrophobicContact CG2-CG 4.08Å; E209-W228 PolarHBondContact OE1-NE1 3.47Å; M225-W228 HydrophobicContact SD-CB 4.38Å; W228-C236 CarbonylContact C-O 3.59Å; W228-C236 WeakPolarHBondContact CA-O 3.38Å; W228-C236 WeakPolarHBondContact CB-O 3.19Å
229	F	98.1	Very high	97.4	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164	176.3	56.5	-90.1	0	0	0	112.1	L155 R156 Y159 H231 C236 V238	L155-F229 HydrophobicContact CB-CE2 4.26Å; L155-F229 HydrophobicContact CB-CZ 4.16Å; R156-F229 HydrophobicContact CB-CD2 4.16Å; R156-F229 HydrophobicContact CB-CE2 3.97Å; R156-F229 HydrophobicContact CB-CZ 4.32Å; R156-F229 HydrophobicContact CG-CD2 4.46Å; Y159-F229 AromaticContact CD2-CE1 3.66Å; Y159-F229 HydrophobicContact CD2-CE1 3.66Å; Y159-F229 AromaticContact CD2-CZ 3.7Å; Y159-F229 HydrophobicContact CD2-CZ 3.7Å; Y159-F229 HydrophobicContact CE2-CD1 4.13Å; Y159-F229 AromaticContact CE2-CE1 3.36Å; Y159-F229 HydrophobicContact CE2-CE1 3.36Å; Y159-F229 AromaticContact CE2-CZ 3.91Å; Y159-F229 HydrophobicContact CE2-CZ 3.91Å; F229-H231 HydrophobicContact CD2-CB 4.05Å; F229-H231 HydrophobicContact CE2-CB 3.89Å; F229-C236 HydrophobicContact CD1-CB 4.23Å; F229-C236 HydrophobicContact CD2-CB 3.76Å; F229-C236 HydrophobicContact CE1-CB 3.92Å; F229-C236 HydrophobicContact CE2-CB 3.42Å; F229-C236 VanDerWaalsContact CE2-CB 3.42Å; F229-C236 HydrophobicContact CG-CB 4.15Å; F229-C236 HydrophobicContact CZ-CB 3.51Å; F229-C236 PolarHBondContact N-O 2.96Å; F229-C236 PolarHBondContact O-N 3.32Å; F229-V238 HydrophobicContact CD1-CG2 4.19Å; F229-V238 HydrophobicContact CE1-CG2 3.6Å
230	D	96.8	Very high	97.4	Very high	79 Å²	79	34.3 Å²	34.3	42%	0.422	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.6	168	-170.3	-63.9	0	0	0	109.4	R198 G233 H234	R198-D230 IonicContact CZ-OD2 3.49Å; R198-D230 IonicContact NH2-OD2 3.52Å; R198-D230 PolarHBondContact NH2-OD2 3.34Å; D230-G233 WeakPolarHBondContact OD1-CA 3.5Å; D230-G233 PolarHBondContact OD1-N 3.08Å; D230-H234 CarbonylContact C-O 3.49Å; D230-H234 WeakPolarHBondContact CA-O 3.34Å
231	H	94.9	Very high	97.4	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.088	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	98.6	175.6	-169.6	70.3	0	0	0	109.6	F229 G233 H234	F229-H231 HydrophobicContact CD2-CB 4.05Å; F229-H231 HydrophobicContact CE2-CB 3.89Å; H231-G233 PolarHBondContact O-N 3.29Å; H231-H234 PolarHBondContact N-O 3.11Å; H231-H234 WeakPolarHBondContact O-CB 3.3Å; H231-H234 PolarHBondContact O-CD2 3.43Å; H231-H234 PolarHBondContact O-N 3.09Å
232	H	92.7	Very high	97.4	Very high	115 Å²	115	31.8 Å²	31.8	53%	0.532	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.8	-179.9	-59.6	-80.6	0	0	0	114	I139	I139-H232 VanDerWaalsContact CD1-CD2 3.47Å; I139-H232 WeakPolarHBondContact CD1-CD2 3.49Å; I139-H232 WeakPolarHBondContact CD1-NE2 3.48Å; I139-H232 HydrophobicContact CG2-CB 4.31Å
233	G	93.4	Very high	97.4	Very high	10 Å²	10	32.5 Å²	32.5	10%	0.103	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-7.1	-176.9	0	0	0	0	0	114.4	N193 R198 D230 H231	N193-G233 PolarHBondContact OD1-O 3.31Å; N193-G233 VanDerWaalsContact OD1-O 3.13Å; R198-G233 WeakPolarHBondContact CD-O 3.47Å; R198-G233 PolarHBondContact NE-O 3.05Å; R198-G233 VanDerWaalsContact NH1-C 3.33Å; R198-G233 PolarHBondContact NH1-O 3.24Å; D230-G233 WeakPolarHBondContact OD1-CA 3.5Å; D230-G233 PolarHBondContact OD1-N 3.08Å; H231-G233 PolarHBondContact O-N 3.29Å
234	H	97	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.4	168.5	-62.3	-84.4	0	0	0	109.6	D141 G145 L147 I190 V191 N193 D230 H231 C236	D141-H234 IonicContact OD1-NE2 3.72Å; D141-H234 PolarHBondContact OD1-NE2 3.34Å; D141-H234 VanDerWaalsContact OD1-NE2 3.09Å; D141-H234 IonicContact OD2-NE2 2.69Å; G145-H234 PolarHBondContact O-CE1 3.39Å; G145-H234 VanDerWaalsContact O-CE1 3.27Å; L147-H234 PolarHBondContact N-CE1 2.86Å; I190-H234 HydrophobicContact CG2-CB 3.89Å; V191-H234 WeakPolarHBondContact O-CB 3.4Å; V191-H234 PolarHBondContact O-ND1 2.73Å; N193-H234 PolarHBondContact N-ND1 2.97Å; D230-H234 CarbonylContact C-O 3.49Å; D230-H234 WeakPolarHBondContact CA-O 3.34Å; H231-H234 PolarHBondContact N-O 3.11Å; H231-H234 WeakPolarHBondContact O-CB 3.3Å; H231-H234 PolarHBondContact O-CD2 3.43Å; H231-H234 PolarHBondContact O-N 3.09Å; H234-C236 PolarHBondContact O-N 3.44Å
235	V	98	Very high	97.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.4	167.2	179.9	0	0	0	0	107.1	V191 R198 A201 I205 I237	V191-V235 HydrophobicContact CB-CB 4.23Å; V191-V235 VanDerWaalsContact CB-O 3.3Å; V191-V235 WeakPolarHBondContact CB-O 3.25Å; V191-V235 HydrophobicContact CG2-CB 4.41Å; V191-V235 WeakPolarHBondContact CG2-O 3.44Å; V191-V235 PolarHBondContact N-O 2.99Å; R198-V235 HydrophobicContact CB-CG2 4.24Å; R198-V235 HydrophobicContact CG-CG2 4.25Å; A201-V235 HydrophobicContact CB-CB 4.17Å; A201-V235 HydrophobicContact CB-CG1 3.97Å; I205-V235 HydrophobicContact CD1-CG1 3.72Å; V235-I237 HydrophobicContact CG1-CG1 4.35Å
236	C	98.4	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.4	178.2	-65.3	0	0	0	0	109.3	V188 K189 W228 F229 H234	V188-C236 HydrophobicContact CG1-CB 4.12Å; K189-C236 CarbonylContact O-C 3.46Å; K189-C236 VanDerWaalsContact O-CA 3.25Å; K189-C236 WeakPolarHBondContact O-CA 3.36Å; W228-C236 CarbonylContact C-O 3.59Å; W228-C236 WeakPolarHBondContact CA-O 3.38Å; W228-C236 WeakPolarHBondContact CB-O 3.19Å; F229-C236 HydrophobicContact CD1-CB 4.23Å; F229-C236 HydrophobicContact CD2-CB 3.76Å; F229-C236 HydrophobicContact CE1-CB 3.92Å; F229-C236 HydrophobicContact CE2-CB 3.42Å; F229-C236 VanDerWaalsContact CE2-CB 3.42Å; F229-C236 HydrophobicContact CG-CB 4.15Å; F229-C236 HydrophobicContact CZ-CB 3.51Å; F229-C236 PolarHBondContact N-O 2.96Å; F229-C236 PolarHBondContact O-N 3.32Å; H234-C236 PolarHBondContact O-N 3.44Å
237	I	98.6	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.6	177.4	-48.4	174.5	0	0	0	108.1	V188 K189 E204 I205 L208 M225 V235 F239	V188-I237 CarbonylContact C-O 3.43Å; V188-I237 WeakPolarHBondContact CA-O 3.48Å; K189-I237 HydrophobicContact CB-CB 4.4Å; K189-I237 PolarHBondContact N-O 3.2Å; K189-I237 PolarHBondContact O-N 3.03Å; E204-I237 HydrophobicContact CG-CD1 4.49Å; I205-I237 HydrophobicContact CD1-CD1 4.23Å; I205-I237 HydrophobicContact CD1-CG1 4.14Å; I205-I237 HydrophobicContact CG1-CD1 3.76Å; I205-I237 HydrophobicContact CG1-CG1 3.98Å; L208-I237 HydrophobicContact CD1-CG2 4.19Å; M225-I237 HydrophobicContact CG-CG2 3.64Å; M225-I237 HydrophobicContact SD-CG2 3.62Å; V235-I237 HydrophobicContact CG1-CG1 4.35Å; I237-F239 HydrophobicContact CB-CE2 3.78Å; I237-F239 HydrophobicContact CB-CZ 3.99Å; I237-F239 HydrophobicContact CG2-CD2 4.32Å; I237-F239 HydrophobicContact CG2-CE1 3.94Å; I237-F239 HydrophobicContact CG2-CE2 3.55Å; I237-F239 HydrophobicContact CG2-CZ 3.33Å
238	V	98.6	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130	-177.1	-171.3	0	0	0	0	109	Y159 V186 A187 V188 M225 L226 E227 F229	Y159-V238 HydrophobicContact CE1-CG1 4.01Å; Y159-V238 HydrophobicContact CE1-CG2 4.22Å; Y159-V238 HydrophobicContact CE2-CG2 4.29Å; V186-V238 HydrophobicContact CB-CG1 3.9Å; V186-V238 HydrophobicContact CG1-CG1 4.28Å; V186-V238 HydrophobicContact CG2-CG1 3.88Å; A187-V238 CarbonylContact O-C 3.58Å; A187-V238 WeakPolarHBondContact O-CA 3.36Å; V188-V238 HydrophobicContact CG2-CG1 4.37Å; V188-V238 HydrophobicContact CG2-CG2 4.28Å; M225-V238 CarbonylContact C-O 3.59Å; M225-V238 WeakPolarHBondContact CA-O 3.27Å; L226-V238 HydrophobicContact CB-CB 4.46Å; L226-V238 HydrophobicContact CB-CG1 4.25Å; L226-V238 HydrophobicContact CD1-CG1 4.29Å; L226-V238 PolarHBondContact N-O 2.92Å; E227-V238 HydrophobicContact CG-CB 4.02Å; E227-V238 HydrophobicContact CG-CG2 3.79Å; E227-V238 WeakPolarHBondContact O-CB 3.49Å; E227-V238 PolarHBondContact O-N 2.98Å; F229-V238 HydrophobicContact CD1-CG2 4.19Å; F229-V238 HydrophobicContact CE1-CG2 3.6Å
239	F	98.6	Very high	97.4	Very high	19 Å²	19	25.9 Å²	25.9	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.4	179.4	-58.8	-83	0	0	0	110.9	V186 A187 K189 L208 V223 Q224 M225 I237	V186-F239 WeakPolarHBondContact CB-O 3.27Å; A187-F239 HydrophobicContact CB-CB 4.41Å; A187-F239 PolarHBondContact N-O 3.15Å; A187-F239 PolarHBondContact O-N 3.34Å; K189-F239 HydrophobicContact CB-CE2 3.94Å; K189-F239 HydrophobicContact CD-CE2 4.42Å; L208-F239 HydrophobicContact CD1-CE1 3.58Å; L208-F239 HydrophobicContact CD1-CZ 3.75Å; L208-F239 HydrophobicContact CD2-CE1 4.01Å; L208-F239 HydrophobicContact CG-CE1 4.46Å; V223-F239 HydrophobicContact CB-CD1 4.5Å; V223-F239 HydrophobicContact CG1-CD1 3.8Å; V223-F239 HydrophobicContact CG1-CE1 3.85Å; V223-F239 HydrophobicContact CG2-CB 4.13Å; V223-F239 HydrophobicContact CG2-CD1 3.87Å; V223-F239 HydrophobicContact CG2-CG 4.29Å; Q224-F239 WeakPolarHBondContact O-CA 3.43Å; M225-F239 HydrophobicContact CB-CD1 4.3Å; M225-F239 HydrophobicContact CB-CE1 4.18Å; I237-F239 HydrophobicContact CB-CE2 3.78Å; I237-F239 HydrophobicContact CB-CZ 3.99Å; I237-F239 HydrophobicContact CG2-CD2 4.32Å; I237-F239 HydrophobicContact CG2-CE1 3.94Å; I237-F239 HydrophobicContact CG2-CE2 3.55Å; I237-F239 HydrophobicContact CG2-CZ 3.33Å
240	E	97.9	Very high	97.4	Very high	33 Å²	33	25.5 Å²	25.5	15%	0.154	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	142.4	160.6	68.9	-170.3	125.1	0	0	110.6	V223 Q224 L242 K320	V223-E240 HydrophobicContact CG2-CG 4.24Å; Q224-E240 WeakPolarHBondContact CB-OE1 3.47Å; Q224-E240 PolarHBondContact N-OE1 3.02Å; Q224-E240 PolarHBondContact O-N 3Å; E240-L242 HydrophobicContact CG-CD2 4.12Å; E240-L242 HydrophobicContact CG-CG 4.32Å; E240-K320 WeakPolarHBondContact OE1-CD 3.48Å; E240-K320 IonicContact OE1-NZ 3.5Å; E240-K320 PolarHBondContact OE1-NZ 3.39Å; E240-K320 IonicContact OE2-NZ 3.54Å; E240-K320 PolarHBondContact OE2-NZ 3.32Å
241	L	98.1	Very high	97.4	Very high	55 Å²	55	26 Å²	26	29%	0.288	13%	0.133	S	C	.	.			trans	-77.1	129.4	175	-174.9	67.2	0	0	0	110.3	L165 E175 H185 A187	L165-L241 HydrophobicContact CD1-CD1 3.67Å; E175-L241 HydrophobicContact CG-CD1 4.32Å; E175-L241 HydrophobicContact CG-CD2 4.11Å; E175-L241 WeakPolarHBondContact OE1-CD2 3.46Å; H185-L241 HydrophobicContact CB-CD2 3.7Å; A187-L241 HydrophobicContact CB-CD1 4.17Å
242	L	98.4	Very high	97.4	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.136	15%	0.148	C	C	.	.			trans	-113.4	170.7	176.6	-61.5	175.6	0	0	0	110.9	V223 E240 L293 K320 V322	V223-L242 HydrophobicContact CG2-CD1 4.02Å; E240-L242 HydrophobicContact CG-CD2 4.12Å; E240-L242 HydrophobicContact CG-CG 4.32Å; L242-L293 HydrophobicContact CB-CB 4.15Å; L242-L293 HydrophobicContact CB-CD2 3.98Å; L242-L293 HydrophobicContact CD1-CB 3.95Å; L242-L293 HydrophobicContact CD1-CD2 4.17Å; L242-K320 HydrophobicContact CD1-CB 3.99Å; L242-K320 HydrophobicContact CD2-CD 4.1Å; L242-V322 HydrophobicContact CD1-CG1 3.97Å
243	G	98	Very high	97.5	Very high	22 Å²	22	24.1 Å²	24.1	23%	0.227	13%	0.125	C	C	.	.			trans	-78.8	-162.5	172.9	0	0	0	0	0	113.2	F294	G243-F294 WeakPolarHBondContact CA-O 3.28Å; G243-F294 PolarHBondContact N-O 2.58Å
244	L	97.8	Very high	97.6	Very high	49 Å²	49	27.3 Å²	27.3	26%	0.257	15%	0.146	S	C	.	.			trans	-58.9	150.8	178.2	-65.2	176.4	0	0	0	112.3	D248 F249 F294 S297	L244-D248 HydrophobicContact CB-CB 4.4Å; L244-D248 HydrophobicContact CD2-CB 4.33Å; L244-F249 HydrophobicContact CD1-CD2 4.46Å; L244-F294 WeakPolarHBondContact O-CD2 3.26Å; L244-F294 PolarHBondContact O-N 3.36Å; L244-S297 PolarHBondContact N-OG 3.13Å; L244-S297 VanDerWaalsContact N-OG 3.14Å
245	S	98.4	Very high	97.5	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.049	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-62.2	154.1	162.6	77.1	0	0	0	0	110.4	Y247 D248 F249 E290	S245-Y247 PolarHBondContact O-N 3.1Å; S245-D248 PolarHBondContact O-N 2.66Å; S245-D248 WeakPolarHBondContact OG-CB 3.4Å; S245-D248 PolarHBondContact OG-N 2.93Å; S245-D248 PolarHBondContact OG-OD2 2.85Å; S245-F249 PolarHBondContact O-N 3.07Å; S245-E290 WeakPolarHBondContact CB-O 3.43Å
246	T	98.6	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-32.1	176.4	61.1	0	0	0	0	111.7	I250 M266 P289 I292 F294 I319 Y370	T246-I250 WeakPolarHBondContact O-CG1 3.46Å; T246-I250 PolarHBondContact O-N 2.83Å; T246-I250 VanDerWaalsContact O-N 3.1Å; T246-M266 HydrophobicContact CG2-SD 4.31Å; T246-P289 PolarHBondContact N-O 3.47Å; T246-P289 VanDerWaalsContact OG1-CA 3.3Å; T246-P289 WeakPolarHBondContact OG1-CA 3.49Å; T246-P289 WeakPolarHBondContact OG1-CB 3.44Å; T246-P289 PolarHBondContact OG1-O 2.9Å; T246-I292 HydrophobicContact CG2-CB 4.18Å; T246-I292 HydrophobicContact CG2-CG2 3.87Å; T246-I292 VanDerWaalsContact CG2-O 3.27Å; T246-I292 WeakPolarHBondContact CG2-O 3.46Å; T246-I292 PolarHBondContact N-O 2.73Å; T246-I292 PolarHBondContact OG1-O 2.88Å; T246-F294 HydrophobicContact CG2-CD2 4.41Å; T246-F294 HydrophobicContact CG2-CE1 4.09Å; T246-F294 HydrophobicContact CG2-CE2 3.76Å; T246-F294 HydrophobicContact CG2-CZ 3.54Å; T246-I319 HydrophobicContact CG2-CG2 4.4Å; T246-Y370 VanDerWaalsContact CB-OH 3.3Å; T246-Y370 WeakPolarHBondContact CB-OH 3.46Å; T246-Y370 HydrophobicContact CG2-CE1 4.44Å; T246-Y370 VanDerWaalsContact CG2-OH 3.31Å; T246-Y370 WeakPolarHBondContact CG2-OH 3.29Å; T246-Y370 WeakPolarHBondContact OG1-CE1 3.35Å; T246-Y370 PolarHBondContact OG1-OH 2.81Å
247	Y	98	Very high	97.3	Very high	37 Å²	37	34 Å²	34	15%	0.145	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-53	170.9	-178.8	-99.5	0	0	0	112.2	S245 F249 I250 K251 P289 E290	S245-Y247 PolarHBondContact O-N 3.1Å; Y247-F249 VanDerWaalsContact C-N 3.26Å; Y247-F249 PolarHBondContact O-N 3.23Å; Y247-I250 PolarHBondContact O-N 2.84Å; Y247-I250 VanDerWaalsContact O-N 3.13Å; Y247-K251 HydrophobicContact CE1-CD 3.96Å; Y247-K251 WeakPolarHBondContact O-CB 3.23Å; Y247-K251 PolarHBondContact O-N 3.5Å; Y247-P289 PolarHBondContact N-O 3.26Å; Y247-E290 HydrophobicContact CD1-CG 4.15Å; Y247-E290 HydrophobicContact CG-CG 3.94Å
248	D	97.6	Very high	97.2	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-35.8	-177.2	-69.4	-49.2	0	0	0	111	L244 S245 K251 E252	L244-D248 HydrophobicContact CB-CB 4.4Å; L244-D248 HydrophobicContact CD2-CB 4.33Å; S245-D248 PolarHBondContact O-N 2.66Å; S245-D248 WeakPolarHBondContact OG-CB 3.4Å; S245-D248 PolarHBondContact OG-N 2.93Å; S245-D248 PolarHBondContact OG-OD2 2.85Å; D248-K251 PolarHBondContact O-N 3.32Å; D248-E252 WeakPolarHBondContact O-CB 3.41Å; D248-E252 WeakPolarHBondContact O-CG 3.49Å; D248-E252 PolarHBondContact O-N 3.13Å
249	F	98	Very high	97	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-47.9	172.6	-169.9	-82.8	0	0	0	112.3	L244 S245 Y247 K251 E252 N253 F258 F294 Y299 R312 L314	L244-F249 HydrophobicContact CD1-CD2 4.46Å; S245-F249 PolarHBondContact O-N 3.07Å; Y247-F249 VanDerWaalsContact C-N 3.26Å; Y247-F249 PolarHBondContact O-N 3.23Å; F249-K251 VanDerWaalsContact C-N 3.31Å; F249-K251 PolarHBondContact O-N 3.13Å; F249-E252 PolarHBondContact O-N 2.95Å; F249-N253 HydrophobicContact CE1-CB 4.42Å; F249-N253 VanDerWaalsContact O-CB 3.29Å; F249-N253 WeakPolarHBondContact O-CB 3.42Å; F249-N253 PolarHBondContact O-N 3.05Å; F249-F258 AromaticContact CD1-CE1 3.46Å; F249-F258 HydrophobicContact CD1-CE1 3.46Å; F249-F258 VanDerWaalsContact CD1-CE1 3.46Å; F249-F258 AromaticContact CD1-CZ 3.81Å; F249-F258 HydrophobicContact CD1-CZ 3.81Å; F249-F258 AromaticContact CE1-CE1 3.79Å; F249-F258 HydrophobicContact CE1-CE1 3.79Å; F249-F258 HydrophobicContact CG-CE1 4.4Å; F249-F258 HydrophobicContact CG-CZ 4.48Å; F249-F294 HydrophobicContact CB-CD2 4.34Å; F249-F294 HydrophobicContact CB-CE2 3.72Å; F249-F294 HydrophobicContact CD2-CE2 4.35Å; F249-F294 AromaticContact CG-CE2 3.97Å; F249-F294 HydrophobicContact CG-CE2 3.97Å; F249-Y299 HydrophobicContact CE2-CD1 4.05Å; F249-Y299 HydrophobicContact CE2-CG 4.39Å; F249-R312 HydrophobicContact CZ-CB 4.03Å; F249-L314 HydrophobicContact CD1-CD1 4.44Å; F249-L314 HydrophobicContact CD1-CG 4.41Å; F249-L314 HydrophobicContact CD2-CD2 3.77Å; F249-L314 HydrophobicContact CD2-CG 4.33Å; F249-L314 HydrophobicContact CE1-CD1 4.25Å; F249-L314 HydrophobicContact CE1-CD2 4.34Å; F249-L314 HydrophobicContact CE1-CG 3.87Å; F249-L314 HydrophobicContact CE2-CD2 3.35Å; F249-L314 HydrophobicContact CE2-CG 3.77Å; F249-L314 HydrophobicContact CG-CD2 4.42Å; F249-L314 HydrophobicContact CZ-CD1 4.36Å; F249-L314 HydrophobicContact CZ-CD2 3.69Å; F249-L314 HydrophobicContact CZ-CG 3.52Å
250	I	97.3	Very high	97	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-46.5	176.3	-73.8	170.2	0	0	0	110.1	T246 Y247 N253 S254 F255 F258 Y370	T246-I250 WeakPolarHBondContact O-CG1 3.46Å; T246-I250 PolarHBondContact O-N 2.83Å; T246-I250 VanDerWaalsContact O-N 3.1Å; Y247-I250 PolarHBondContact O-N 2.84Å; Y247-I250 VanDerWaalsContact O-N 3.13Å; I250-N253 CarbonylContact O-C 3.58Å; I250-N253 VanDerWaalsContact O-C 3.28Å; I250-N253 WeakPolarHBondContact O-CA 3.1Å; I250-N253 PolarHBondContact O-N 3.36Å; I250-N253 VanDerWaalsContact O-N 3.13Å; I250-S254 PolarHBondContact O-N 3.21Å; I250-F255 HydrophobicContact CG2-CB 4.43Å; I250-F255 HydrophobicContact CG2-CD1 3.99Å; I250-F255 WeakPolarHBondContact O-CA 3.38Å; I250-F255 PolarHBondContact O-N 2.99Å; I250-F258 HydrophobicContact CD1-CD2 4.05Å; I250-F258 HydrophobicContact CD1-CE2 3.5Å; I250-F258 HydrophobicContact CD1-CZ 4.24Å; I250-F258 HydrophobicContact CG1-CD2 4.16Å; I250-F258 HydrophobicContact CG1-CE2 3.49Å; I250-F258 VanDerWaalsContact CG1-CE2 3.49Å; I250-F258 HydrophobicContact CG1-CZ 3.73Å; I250-Y370 HydrophobicContact CD1-CD1 3.85Å; I250-Y370 HydrophobicContact CD1-CE1 4.3Å
251	K	96.2	Very high	96.9	Very high	89 Å²	89	41.5 Å²	41.5	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-47.6	179.2	177.4	-179.3	171.8	-171.7	0	111.7	Y247 D248 F249 N253 S254 F255	Y247-K251 HydrophobicContact CE1-CD 3.96Å; Y247-K251 WeakPolarHBondContact O-CB 3.23Å; Y247-K251 PolarHBondContact O-N 3.5Å; D248-K251 PolarHBondContact O-N 3.32Å; F249-K251 VanDerWaalsContact C-N 3.31Å; F249-K251 PolarHBondContact O-N 3.13Å; K251-N253 PolarHBondContact O-N 2.86Å; K251-S254 PolarHBondContact O-N 3.26Å; K251-F255 HydrophobicContact CB-CE1 4.35Å; K251-F255 HydrophobicContact CB-CZ 4.18Å; K251-F255 HydrophobicContact CG-CE2 4.38Å; K251-F255 HydrophobicContact CG-CZ 4.01Å
252	E	96	Very high	96.9	Very high	87 Å²	87	40.2 Å²	40.2	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-27.7	175.9	-75.2	-166.7	-159.1	0	0	113	D248 F249 S254 R312	D248-E252 WeakPolarHBondContact O-CB 3.41Å; D248-E252 WeakPolarHBondContact O-CG 3.49Å; D248-E252 PolarHBondContact O-N 3.13Å; F249-E252 PolarHBondContact O-N 2.95Å; E252-S254 PolarHBondContact O-N 3.07Å; E252-R312 IonicContact OE2-CZ 3.87Å; E252-R312 IonicContact OE2-NH1 2.71Å; E252-R312 PolarHBondContact OE2-NH1 2.97Å
253	N	95.2	Very high	96.9	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	21.1	171	-156.2	26.2	0	0	0	112.7	F249 I250 K251 F255 L256 R312	F249-N253 HydrophobicContact CE1-CB 4.42Å; F249-N253 VanDerWaalsContact O-CB 3.29Å; F249-N253 WeakPolarHBondContact O-CB 3.42Å; F249-N253 PolarHBondContact O-N 3.05Å; I250-N253 CarbonylContact O-C 3.58Å; I250-N253 VanDerWaalsContact O-C 3.28Å; I250-N253 WeakPolarHBondContact O-CA 3.1Å; I250-N253 PolarHBondContact O-N 3.36Å; I250-N253 VanDerWaalsContact O-N 3.13Å; K251-N253 PolarHBondContact O-N 2.86Å; N253-F255 VanDerWaalsContact C-N 3.31Å; N253-F255 PolarHBondContact O-N 2.8Å; N253-L256 HydrophobicContact CB-CB 4.44Å; N253-L256 WeakPolarHBondContact ND2-CB 3.39Å; N253-L256 VanDerWaalsContact O-CB 3.28Å; N253-L256 WeakPolarHBondContact O-CB 3.3Å; N253-L256 WeakPolarHBondContact O-CD1 3.5Å; N253-L256 WeakPolarHBondContact O-CG 3.17Å; N253-L256 PolarHBondContact O-N 2.8Å; N253-R312 HydrophobicContact CB-CB 4.46Å; N253-R312 PolarHBondContact ND2-O 3.06Å; N253-R312 VanDerWaalsContact ND2-O 3.17Å; N253-R312 WeakPolarHBondContact OD1-CB 3.37Å; N253-R312 WeakPolarHBondContact OD1-CG 3.43Å; N253-R312 PolarHBondContact OD1-N 3.04Å
254	S	94.9	Very high	97	Very high	78 Å²	78	38.2 Å²	38.2	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	40.8	177.7	-55.8	0	0	0	0	114	I250 K251 E252 L256	I250-S254 PolarHBondContact O-N 3.21Å; K251-S254 PolarHBondContact O-N 3.26Å; E252-S254 PolarHBondContact O-N 3.07Å; S254-L256 PolarHBondContact O-N 3.12Å
255	F	95.4	Very high	97	Very high	101 Å²	101	38.9 Å²	38.9	44%	0.443	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	32	-179.4	-60	-85	0	0	0	113.3	I250 K251 N253	I250-F255 HydrophobicContact CG2-CB 4.43Å; I250-F255 HydrophobicContact CG2-CD1 3.99Å; I250-F255 WeakPolarHBondContact O-CA 3.38Å; I250-F255 PolarHBondContact O-N 2.99Å; K251-F255 HydrophobicContact CB-CE1 4.35Å; K251-F255 HydrophobicContact CB-CZ 4.18Å; K251-F255 HydrophobicContact CG-CE2 4.38Å; K251-F255 HydrophobicContact CG-CZ 4.01Å; N253-F255 VanDerWaalsContact C-N 3.31Å; N253-F255 PolarHBondContact O-N 2.8Å
256	L	95	Very high	97	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-74.3	137.3	168.3	-81.6	169	0	0	0	110.2	N253 S254 M307 R309 E311	N253-L256 HydrophobicContact CB-CB 4.44Å; N253-L256 WeakPolarHBondContact ND2-CB 3.39Å; N253-L256 VanDerWaalsContact O-CB 3.28Å; N253-L256 WeakPolarHBondContact O-CB 3.3Å; N253-L256 WeakPolarHBondContact O-CD1 3.5Å; N253-L256 WeakPolarHBondContact O-CG 3.17Å; N253-L256 PolarHBondContact O-N 2.8Å; S254-L256 PolarHBondContact O-N 3.12Å; L256-M307 HydrophobicContact CD2-CE 3.85Å; L256-M307 HydrophobicContact CD2-SD 3.37Å; L256-M307 WeakPolarHBondContact CD2-SD 3.49Å; L256-R309 VanDerWaalsContact CG-NH2 3.34Å; L256-E311 HydrophobicContact CD1-CB 4.04Å; L256-E311 HydrophobicContact CD1-CG 4Å
257	P	95.8	Very high	97	Very high	37 Å²	37	38.5 Å²	38.5	24%	0.24	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-68.4	163.1	175.8	30.3	-35.5	0	0	0	111.5	Y370 Y371	P257-Y370 WeakPolarHBondContact CA-O 3.49Å; P257-Y370 WeakPolarHBondContact CB-O 3.34Å; P257-Y371 WeakPolarHBondContact CB-O 3.36Å
258	F	96.9	Very high	97.1	Very high	16 Å²	16	40 Å²	40	7%	0.07	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-77.1	155.3	169.1	-68.3	-66.2	0	0	0	111.4	F249 I250 H262 I263 M266 F294 L314 Y370	F249-F258 AromaticContact CD1-CE1 3.46Å; F249-F258 HydrophobicContact CD1-CE1 3.46Å; F249-F258 VanDerWaalsContact CD1-CE1 3.46Å; F249-F258 AromaticContact CD1-CZ 3.81Å; F249-F258 HydrophobicContact CD1-CZ 3.81Å; F249-F258 AromaticContact CE1-CE1 3.79Å; F249-F258 HydrophobicContact CE1-CE1 3.79Å; F249-F258 HydrophobicContact CG-CE1 4.4Å; F249-F258 HydrophobicContact CG-CZ 4.48Å; I250-F258 HydrophobicContact CD1-CD2 4.05Å; I250-F258 HydrophobicContact CD1-CE2 3.5Å; I250-F258 HydrophobicContact CD1-CZ 4.24Å; I250-F258 HydrophobicContact CG1-CD2 4.16Å; I250-F258 HydrophobicContact CG1-CE2 3.49Å; I250-F258 VanDerWaalsContact CG1-CE2 3.49Å; I250-F258 HydrophobicContact CG1-CZ 3.73Å; F258-H262 HydrophobicContact CB-CB 4.39Å; F258-I263 HydrophobicContact CB-CD1 4.29Å; F258-I263 HydrophobicContact CB-CG1 3.72Å; F258-I263 WeakPolarHBondContact O-CD1 3.47Å; F258-M266 HydrophobicContact CB-CE 4.13Å; F258-M266 HydrophobicContact CD1-CE 4.21Å; F258-M266 HydrophobicContact CD2-CE 3.58Å; F258-M266 HydrophobicContact CE2-CE 3.92Å; F258-M266 HydrophobicContact CG-CE 3.72Å; F258-M266 HydrophobicContact CZ-CE 4.4Å; F258-F294 HydrophobicContact CE1-CZ 4.1Å; F258-F294 HydrophobicContact CZ-CE2 4.21Å; F258-F294 AromaticContact CZ-CZ 3.79Å; F258-F294 HydrophobicContact CZ-CZ 3.79Å; F258-L314 HydrophobicContact CD1-CD1 4.11Å; F258-L314 HydrophobicContact CE1-CD1 3.53Å; F258-L314 HydrophobicContact CE1-CG 4.49Å; F258-L314 HydrophobicContact CZ-CD1 4.35Å; F258-Y370 AromaticContact CD2-CD1 3.93Å; F258-Y370 HydrophobicContact CD2-CD1 3.93Å; F258-Y370 HydrophobicContact CD2-CD2 4.49Å; F258-Y370 AromaticContact CD2-CG 3.86Å; F258-Y370 HydrophobicContact CD2-CG 3.86Å; F258-Y370 AromaticContact CE2-CD1 3.86Å; F258-Y370 HydrophobicContact CE2-CD1 3.86Å; F258-Y370 HydrophobicContact CE2-CE1 4.13Å; F258-Y370 HydrophobicContact CE2-CG 4.21Å; F258-Y370 PolarHBondContact N-O 2.7Å
259	Q	95.4	Very high	97.1	Very high	80 Å²	80	37.7 Å²	37.7	37%	0.374	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-69.2	146.6	171.7	-63.9	-179.4	-3	0	0	110.2	D261 H262 I263	Q259-D261 PolarHBondContact O-N 3.21Å; Q259-D261 VanDerWaalsContact O-N 3.1Å; Q259-H262 WeakPolarHBondContact O-CA 3.39Å; Q259-H262 WeakPolarHBondContact O-CB 3.21Å; Q259-H262 PolarHBondContact O-N 2.75Å; Q259-I263 WeakPolarHBondContact O-CG1 3.49Å; Q259-I263 PolarHBondContact O-N 3.15Å
260	I	97.1	Very high	97.2	Very high	31 Å²	31	37.7 Å²	37.7	16%	0.159	19%	0.186	C	C	.	.	H	α-helix	trans	-54.8	-35.8	-174.9	-169	63.2	0	0	0	112.9	I263 R264 Y371 L448 F474	I260-I263 PolarHBondContact O-N 2.92Å; I260-R264 WeakPolarHBondContact O-CB 3.4Å; I260-R264 PolarHBondContact O-N 3.14Å; I260-Y371 HydrophobicContact CD1-CD2 4.47Å; I260-Y371 HydrophobicContact CD1-CE2 4.48Å; I260-L448 HydrophobicContact CD1-CB 4.15Å; I260-L448 HydrophobicContact CD1-CD2 3.49Å; I260-L448 VanDerWaalsContact CD1-CD2 3.49Å; I260-L448 HydrophobicContact CD1-CG 4.4Å; I260-F474 HydrophobicContact CD1-CE2 4.04Å; I260-F474 HydrophobicContact CD1-CZ 4.2Å; I260-F474 HydrophobicContact CG1-CE2 4.34Å
261	D	97.2	Very high	97.3	Very high	82 Å²	82	37.6 Å²	37.6	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-67.3	-38.6	177	-66.4	-21.4	0	0	0	112.9	Q259 R264 Q265	Q259-D261 PolarHBondContact O-N 3.21Å; Q259-D261 VanDerWaalsContact O-N 3.1Å; D261-R264 PolarHBondContact O-N 2.91Å; D261-R264 IonicContact OD1-CZ 3.41Å; D261-R264 IonicContact OD1-NH1 3.7Å; D261-R264 PolarHBondContact OD1-NH1 2.85Å; D261-R264 IonicContact OD1-NH2 2.68Å; D261-Q265 WeakPolarHBondContact O-CG 3.37Å; D261-Q265 PolarHBondContact O-N 3.28Å; D261-Q265 VanDerWaalsContact O-N 3.1Å
262	H	98.1	Very high	97.4	Very high	28 Å²	28	35.7 Å²	35.7	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-41.8	173.2	-63.8	176.5	0	0	0	110.9	F258 Q259 R264 Q265 M266 T317	F258-H262 HydrophobicContact CB-CB 4.39Å; Q259-H262 WeakPolarHBondContact O-CA 3.39Å; Q259-H262 WeakPolarHBondContact O-CB 3.21Å; Q259-H262 PolarHBondContact O-N 2.75Å; H262-R264 VanDerWaalsContact C-N 3.3Å; H262-R264 PolarHBondContact O-N 3.31Å; H262-Q265 PolarHBondContact O-N 3Å; H262-M266 HydrophobicContact CB-CE 4.32Å; H262-M266 WeakPolarHBondContact O-CB 3.38Å; H262-M266 WeakPolarHBondContact O-CG 3.27Å; H262-M266 PolarHBondContact O-N 3.3Å; H262-T317 HydrophobicContact CB-CG2 3.71Å; H262-T317 VanDerWaalsContact CD2-CG2 3.46Å; H262-T317 WeakPolarHBondContact CD2-CG2 3.36Å
263	I	98.7	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-45	175.6	-61.3	174.6	0	0	0	109.8	F258 Q259 I260 Q265 M266 A267 L367 Y371 L448	F258-I263 HydrophobicContact CB-CD1 4.29Å; F258-I263 HydrophobicContact CB-CG1 3.72Å; F258-I263 WeakPolarHBondContact O-CD1 3.47Å; Q259-I263 WeakPolarHBondContact O-CG1 3.49Å; Q259-I263 PolarHBondContact O-N 3.15Å; I260-I263 PolarHBondContact O-N 2.92Å; I263-Q265 PolarHBondContact O-N 2.82Å; I263-M266 PolarHBondContact O-N 2.96Å; I263-A267 WeakPolarHBondContact O-CB 3.28Å; I263-A267 PolarHBondContact O-N 3.26Å; I263-L367 HydrophobicContact CG2-CD2 4.46Å; I263-Y371 HydrophobicContact CD1-CD2 3.97Å; I263-Y371 HydrophobicContact CD1-CG 4.49Å; I263-L448 HydrophobicContact CG2-CD1 4.2Å; I263-L448 HydrophobicContact CG2-CD2 4.24Å
264	R	98.7	Very high	97.7	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-47.7	177.5	-168.9	-175.7	-63.2	95.7	2.9	112.3	I260 D261 H262 Y268 E444 F474 F475 L478	I260-R264 WeakPolarHBondContact O-CB 3.4Å; I260-R264 PolarHBondContact O-N 3.14Å; D261-R264 PolarHBondContact O-N 2.91Å; D261-R264 IonicContact OD1-CZ 3.41Å; D261-R264 IonicContact OD1-NH1 3.7Å; D261-R264 PolarHBondContact OD1-NH1 2.85Å; D261-R264 IonicContact OD1-NH2 2.68Å; H262-R264 VanDerWaalsContact C-N 3.3Å; H262-R264 PolarHBondContact O-N 3.31Å; R264-Y268 WeakPolarHBondContact O-CB 3.47Å; R264-Y268 PolarHBondContact O-N 3.05Å; R264-E444 IonicContact CZ-OE2 3.47Å; R264-E444 IonicContact NE-OE2 3.52Å; R264-E444 IonicContact NH2-OE2 3.69Å; R264-E444 PolarHBondContact NH2-OE2 3.14Å; R264-F474 HydrophobicContact CB-CE1 3.87Å; R264-F474 HydrophobicContact CB-CE2 4.2Å; R264-F474 HydrophobicContact CB-CZ 3.55Å; R264-F474 WeakPolarHBondContact CD-O 3.33Å; R264-F474 HydrophobicContact CG-CD1 4.24Å; R264-F474 HydrophobicContact CG-CE1 3.86Å; R264-F474 HydrophobicContact CG-CE2 4.25Å; R264-F474 HydrophobicContact CG-CZ 3.85Å; R264-F474 WeakPolarHBondContact CG-O 3.35Å; R264-F474 PolarHBondContact NE-O 3.3Å; R264-F475 HydrophobicContact CG-CD1 3.96Å; R264-F475 HydrophobicContact CG-CE1 4.43Å; R264-L478 HydrophobicContact CG-CD1 4.05Å; R264-L478 HydrophobicContact CG-CD2 4.41Å; R264-L478 HydrophobicContact CG-CG 4.1Å
265	Q	98.6	Very high	97.9	Very high	63 Å²	63	28.2 Å²	28.2	29%	0.294	14%	0.135	S	C	.	.	H	α-helix	trans	-65.6	-43.9	-179.8	-71.1	170.4	2.1	0	0	111.9	D261 H262 I263 Q269 T317 L478	D261-Q265 WeakPolarHBondContact O-CG 3.37Å; D261-Q265 PolarHBondContact O-N 3.28Å; D261-Q265 VanDerWaalsContact O-N 3.1Å; H262-Q265 PolarHBondContact O-N 3Å; I263-Q265 PolarHBondContact O-N 2.82Å; Q265-Q269 VanDerWaalsContact O-CG 3.27Å; Q265-Q269 WeakPolarHBondContact O-CG 3.45Å; Q265-Q269 PolarHBondContact O-N 2.92Å; Q265-Q269 PolarHBondContact O-NE2 2.9Å; Q265-T317 WeakPolarHBondContact CB-OG1 3.37Å; Q265-T317 PolarHBondContact OE1-OG1 3.04Å; Q265-L478 HydrophobicContact CG-CD2 3.77Å
266	M	98.9	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-45.3	177.4	-68	-174.5	-64.8	0	0	111.6	T246 F258 H262 I263 Y268 Q269 I270 F294 I319 Y370	T246-M266 HydrophobicContact CG2-SD 4.31Å; F258-M266 HydrophobicContact CB-CE 4.13Å; F258-M266 HydrophobicContact CD1-CE 4.21Å; F258-M266 HydrophobicContact CD2-CE 3.58Å; F258-M266 HydrophobicContact CE2-CE 3.92Å; F258-M266 HydrophobicContact CG-CE 3.72Å; F258-M266 HydrophobicContact CZ-CE 4.4Å; H262-M266 HydrophobicContact CB-CE 4.32Å; H262-M266 WeakPolarHBondContact O-CB 3.38Å; H262-M266 WeakPolarHBondContact O-CG 3.27Å; H262-M266 PolarHBondContact O-N 3.3Å; I263-M266 PolarHBondContact O-N 2.96Å; M266-Y268 VanDerWaalsContact C-N 3.3Å; M266-Y268 PolarHBondContact O-N 3.36Å; M266-Q269 PolarHBondContact O-N 3.49Å; M266-Q269 VanDerWaalsContact O-N 3.16Å; M266-I270 HydrophobicContact CB-CD1 4.39Å; M266-I270 WeakPolarHBondContact O-CB 3.08Å; M266-I270 WeakPolarHBondContact O-CD1 3.19Å; M266-I270 WeakPolarHBondContact O-CG1 3.26Å; M266-I270 PolarHBondContact O-N 3.38Å; M266-F294 HydrophobicContact SD-CE1 3.55Å; M266-F294 VanDerWaalsContact SD-CE1 3.55Å; M266-F294 HydrophobicContact SD-CZ 3.78Å; M266-I319 HydrophobicContact CG-CG2 4.06Å; M266-I319 HydrophobicContact SD-CG2 4.23Å; M266-Y370 HydrophobicContact CB-CE2 4.41Å; M266-Y370 HydrophobicContact CE-CD2 3.95Å; M266-Y370 HydrophobicContact CE-CE2 4.13Å; M266-Y370 HydrophobicContact SD-CE2 4.39Å
267	A	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-43.6	178	0	0	0	0	0	111.8	I263 I270 C271 L367 F474 F475	I263-A267 WeakPolarHBondContact O-CB 3.28Å; I263-A267 PolarHBondContact O-N 3.26Å; A267-I270 PolarHBondContact O-N 3.09Å; A267-C271 WeakPolarHBondContact O-CB 3.13Å; A267-C271 PolarHBondContact O-N 3.03Å; A267-C271 PolarHBondContact O-SG 2.86Å; A267-L367 HydrophobicContact CB-CD1 3.9Å; A267-L367 HydrophobicContact CB-CD2 3.51Å; A267-L367 HydrophobicContact CB-CG 4.37Å; A267-F474 HydrophobicContact CB-CE1 4.38Å; A267-F475 HydrophobicContact CB-CE1 3.85Å; A267-F475 HydrophobicContact CB-CZ 3.98Å
268	Y	98.8	Very high	98.3	Very high	68 Å²	68	23.4 Å²	23.4	27%	0.267	11%	0.11	S	C	.	.	H	α-helix	trans	-62.1	-47.1	176.9	-174	-95.4	0	0	0	111.8	R264 M266 C271 Q272 L470 F475 L478	R264-Y268 WeakPolarHBondContact O-CB 3.47Å; R264-Y268 PolarHBondContact O-N 3.05Å; M266-Y268 VanDerWaalsContact C-N 3.3Å; M266-Y268 PolarHBondContact O-N 3.36Å; Y268-C271 PolarHBondContact O-N 3.2Å; Y268-Q272 WeakPolarHBondContact O-CB 3.45Å; Y268-Q272 PolarHBondContact O-N 2.88Å; Y268-L470 HydrophobicContact CD2-CD2 3.76Å; Y268-L470 HydrophobicContact CE2-CD2 3.59Å; Y268-L470 HydrophobicContact CG-CD2 4.38Å; Y268-F475 HydrophobicContact CD2-CB 4Å; Y268-F475 AromaticContact CD2-CD1 3.88Å; Y268-F475 HydrophobicContact CD2-CD1 3.88Å; Y268-F475 HydrophobicContact CD2-CD2 4.05Å; Y268-F475 HydrophobicContact CD2-CE1 4.34Å; Y268-F475 HydrophobicContact CD2-CE2 4.49Å; Y268-F475 AromaticContact CD2-CG 3.72Å; Y268-F475 HydrophobicContact CD2-CG 3.72Å; Y268-F475 HydrophobicContact CE2-CB 4.46Å; Y268-F475 HydrophobicContact CG-CD1 4.34Å; Y268-L478 VanDerWaalsContact CB-CD1 3.48Å; Y268-L478 HydrophobicContact CD1-CD1 4.27Å; Y268-L478 HydrophobicContact CD2-CD1 4.02Å; Y268-L478 HydrophobicContact CG-CD1 3.66Å
269	Q	98.8	Very high	98.4	Very high	11 Å²	11	28.2 Å²	28.2	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-41.1	178.8	-69.3	172.6	71.4	0	0	112.4	Q265 M266 Q272 S273 T317 I319	Q265-Q269 VanDerWaalsContact O-CG 3.27Å; Q265-Q269 WeakPolarHBondContact O-CG 3.45Å; Q265-Q269 PolarHBondContact O-N 2.92Å; Q265-Q269 PolarHBondContact O-NE2 2.9Å; M266-Q269 PolarHBondContact O-N 3.49Å; M266-Q269 VanDerWaalsContact O-N 3.16Å; Q269-Q272 PolarHBondContact O-N 3.47Å; Q269-S273 WeakPolarHBondContact O-CB 3.2Å; Q269-S273 PolarHBondContact O-N 3.32Å; Q269-T317 PolarHBondContact NE2-O 3.17Å; Q269-I319 HydrophobicContact CB-CD1 3.73Å; Q269-I319 HydrophobicContact CB-CG1 3.85Å
270	I	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-49.1	175.5	-65	158.2	0	0	0	109.5	M266 A267 Q272 S273 I274 I292 I319 I363 Y370	M266-I270 HydrophobicContact CB-CD1 4.39Å; M266-I270 WeakPolarHBondContact O-CB 3.08Å; M266-I270 WeakPolarHBondContact O-CD1 3.19Å; M266-I270 WeakPolarHBondContact O-CG1 3.26Å; M266-I270 PolarHBondContact O-N 3.38Å; A267-I270 PolarHBondContact O-N 3.09Å; I270-Q272 VanDerWaalsContact C-N 3.3Å; I270-Q272 PolarHBondContact O-N 2.71Å; I270-S273 PolarHBondContact O-N 3.15Å; I270-I274 HydrophobicContact CG2-CG1 4.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.35Å; I270-I274 PolarHBondContact O-N 3.37Å; I270-I292 HydrophobicContact CD1-CD1 3.65Å; I270-I292 HydrophobicContact CD1-CG2 4.4Å; I270-I292 HydrophobicContact CG1-CD1 3.93Å; I270-I292 HydrophobicContact CG1-CG2 4.29Å; I270-I292 HydrophobicContact CG2-CD1 4.48Å; I270-I319 HydrophobicContact CG1-CD1 4.04Å; I270-I319 HydrophobicContact CG1-CG1 4.39Å; I270-I363 HydrophobicContact CG2-CD1 3.97Å; I270-I363 HydrophobicContact CG2-CG1 3.8Å; I270-I363 HydrophobicContact CG2-CG2 4.3Å; I270-Y370 HydrophobicContact CD1-CE2 3.98Å
271	C	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-43	177.2	-67.5	0	0	0	0	111.2	A267 Y268 N275 L466 L470	A267-C271 WeakPolarHBondContact O-CB 3.13Å; A267-C271 PolarHBondContact O-N 3.03Å; A267-C271 PolarHBondContact O-SG 2.86Å; Y268-C271 PolarHBondContact O-N 3.2Å; C271-N275 WeakPolarHBondContact O-CB 3.43Å; C271-N275 PolarHBondContact O-N 2.75Å; C271-L466 HydrophobicContact CB-CD2 4.3Å; C271-L470 HydrophobicContact CB-CD2 3.74Å; C271-L470 HydrophobicContact CB-CG 4.04Å
272	Q	98.6	Very high	98.7	Very high	49 Å²	49	27 Å²	27	23%	0.229	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-43.9	178.4	-173.9	179.2	24.7	0	0	112.1	F220 Y268 Q269 I270 F276 L470	F220-Q272 HydrophobicContact CD1-CG 4.1Å; Y268-Q272 WeakPolarHBondContact O-CB 3.45Å; Y268-Q272 PolarHBondContact O-N 2.88Å; Q269-Q272 PolarHBondContact O-N 3.47Å; I270-Q272 VanDerWaalsContact C-N 3.3Å; I270-Q272 PolarHBondContact O-N 2.71Å; Q272-F276 PolarHBondContact O-N 2.87Å; Q272-F276 VanDerWaalsContact O-N 3.17Å; Q272-L470 HydrophobicContact CB-CD2 4.33Å
273	S	98.8	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-48.2	179.8	-169.5	0	0	0	0	112	F220 Q269 I270 F276 L277 V321	F220-S273 WeakPolarHBondContact O-CA 3.47Å; F220-S273 WeakPolarHBondContact O-CB 3.24Å; F220-S273 PolarHBondContact O-OG 3.05Å; Q269-S273 WeakPolarHBondContact O-CB 3.2Å; Q269-S273 PolarHBondContact O-N 3.32Å; I270-S273 PolarHBondContact O-N 3.15Å; S273-F276 WeakPolarHBondContact O-CB 3.16Å; S273-F276 PolarHBondContact O-N 3.38Å; S273-L277 WeakPolarHBondContact O-CD1 3.48Å; S273-L277 PolarHBondContact O-N 2.72Å; S273-V321 WeakPolarHBondContact OG-CG2 3.47Å
274	I	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-73.8	-31.4	-178.4	-56	-53.3	0	0	0	111.6	I270 F276 L277 H278 H284 L287 V321 D359 I363 L466	I270-I274 HydrophobicContact CG2-CG1 4.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.35Å; I270-I274 PolarHBondContact O-N 3.37Å; I274-F276 VanDerWaalsContact C-N 3.25Å; I274-F276 PolarHBondContact O-N 2.86Å; I274-L277 HydrophobicContact CD1-CD2 4.28Å; I274-L277 WeakPolarHBondContact O-CB 3.16Å; I274-L277 PolarHBondContact O-N 2.88Å; I274-L277 VanDerWaalsContact O-N 3.16Å; I274-H278 WeakPolarHBondContact CG2-NE2 3.47Å; I274-H278 PolarHBondContact O-CD2 3.48Å; I274-H278 VanDerWaalsContact O-CG 3.3Å; I274-H278 PolarHBondContact O-N 2.88Å; I274-H284 HydrophobicContact CD1-CB 4.5Å; I274-L287 HydrophobicContact CD1-CD1 3.87Å; I274-L287 HydrophobicContact CD1-CD2 3.63Å; I274-L287 HydrophobicContact CD1-CG 4.32Å; I274-L287 HydrophobicContact CG1-CD1 3.77Å; I274-L287 HydrophobicContact CG1-CD2 4.28Å; I274-L287 HydrophobicContact CG2-CD1 4.21Å; I274-V321 HydrophobicContact CD1-CG1 4.07Å; I274-V321 HydrophobicContact CD1-CG2 4.18Å; I274-D359 HydrophobicContact CG2-CB 3.85Å; I274-I363 HydrophobicContact CB-CD1 4.2Å; I274-I363 HydrophobicContact CG1-CD1 4.15Å; I274-I363 HydrophobicContact CG2-CD1 4.31Å; I274-L466 HydrophobicContact CB-CD1 3.56Å; I274-L466 HydrophobicContact CG2-CD1 3.47Å; I274-L466 VanDerWaalsContact CG2-CD1 3.47Å
275	N	98.8	Very high	98.7	Very high	16 Å²	16	25.5 Å²	25.5	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-35.8	172.4	-163	36.8	0	0	0	111.5	C271 H278 H279 L466 D467 L470	C271-N275 WeakPolarHBondContact O-CB 3.43Å; C271-N275 PolarHBondContact O-N 2.75Å; N275-H278 PolarHBondContact O-N 3.37Å; N275-H279 PolarHBondContact ND2-CE1 2.91Å; N275-H279 PolarHBondContact O-N 3.38Å; N275-H279 PolarHBondContact O-ND1 3.32Å; N275-H279 PolarHBondContact OD1-CE1 2.84Å; N275-L466 HydrophobicContact CB-CB 3.71Å; N275-L466 HydrophobicContact CB-CD1 4.22Å; N275-D467 PolarHBondContact ND2-OD1 3.25Å; N275-L470 HydrophobicContact CB-CD1 4.17Å
276	F	98.8	Very high	98.6	Very high	12 Å²	12	23.2 Å²	23.2	5%	0.053	11%	0.106	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173	165.4	-108.6	0	0	0	111.8	L211 T214 D215 F220 Q272 S273 I274 H279 N280	L211-F276 HydrophobicContact CD2-CD1 4.42Å; L211-F276 HydrophobicContact CD2-CE1 3.68Å; L211-F276 HydrophobicContact CD2-CZ 4.24Å; T214-F276 HydrophobicContact CG2-CE2 3.77Å; T214-F276 HydrophobicContact CG2-CZ 3.96Å; D215-F276 HydrophobicContact CB-CE1 4.23Å; D215-F276 HydrophobicContact CB-CE2 4.25Å; D215-F276 HydrophobicContact CB-CZ 3.71Å; F220-F276 HydrophobicContact CB-CB 3.64Å; F220-F276 HydrophobicContact CB-CD1 3.6Å; F220-F276 HydrophobicContact CB-CD2 4.21Å; F220-F276 HydrophobicContact CB-CE1 4.28Å; F220-F276 HydrophobicContact CB-CG 3.56Å; F220-F276 HydrophobicContact CD1-CB 3.69Å; F220-F276 HydrophobicContact CD1-CD2 4.28Å; F220-F276 HydrophobicContact CD1-CG 4.1Å; F220-F276 HydrophobicContact CD2-CB 4.16Å; F220-F276 HydrophobicContact CD2-CD1 4.16Å; F220-F276 AromaticContact CD2-CD2 3.34Å; F220-F276 HydrophobicContact CD2-CD2 3.34Å; F220-F276 HydrophobicContact CD2-CE1 4.39Å; F220-F276 AromaticContact CD2-CE2 3.64Å; F220-F276 HydrophobicContact CD2-CE2 3.64Å; F220-F276 AromaticContact CD2-CG 3.63Å; F220-F276 HydrophobicContact CD2-CG 3.63Å; F220-F276 HydrophobicContact CD2-CZ 4.16Å; F220-F276 HydrophobicContact CE1-CB 4.38Å; F220-F276 AromaticContact CE2-CD2 3.66Å; F220-F276 HydrophobicContact CE2-CD2 3.66Å; F220-F276 AromaticContact CE2-CE2 3.94Å; F220-F276 HydrophobicContact CE2-CE2 3.94Å; F220-F276 HydrophobicContact CE2-CG 4.34Å; F220-F276 HydrophobicContact CG-CB 3.57Å; F220-F276 HydrophobicContact CG-CD1 4.03Å; F220-F276 AromaticContact CG-CD2 3.69Å; F220-F276 HydrophobicContact CG-CD2 3.69Å; F220-F276 HydrophobicContact CG-CE2 4.37Å; F220-F276 AromaticContact CG-CG 3.49Å; F220-F276 HydrophobicContact CG-CG 3.49Å; F220-F276 VanDerWaalsContact CG-CG 3.49Å; F220-F276 HydrophobicContact CZ-CD2 4.25Å; Q272-F276 PolarHBondContact O-N 2.87Å; Q272-F276 VanDerWaalsContact O-N 3.17Å; S273-F276 WeakPolarHBondContact O-CB 3.16Å; S273-F276 PolarHBondContact O-N 3.38Å; I274-F276 VanDerWaalsContact C-N 3.25Å; I274-F276 PolarHBondContact O-N 2.86Å; F276-H279 PolarHBondContact O-N 3.26Å; F276-N280 WeakPolarHBondContact CD2-ND2 3.47Å; F276-N280 WeakPolarHBondContact CE2-ND2 3.34Å; F276-N280 PolarHBondContact O-N 3.34Å; F276-N280 PolarHBondContact O-ND2 2.83Å
277	L	98.7	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-49.1	171.8	-92	64.5	0	0	0	111.5	L211 C222 S273 I274 H279 N280 K281 L282 H284 F324	L211-L277 HydrophobicContact CD1-CD1 4.35Å; L211-L277 HydrophobicContact CD2-CD1 4.32Å; C222-L277 WeakPolarHBondContact SG-CD1 3.39Å; S273-L277 WeakPolarHBondContact O-CD1 3.48Å; S273-L277 PolarHBondContact O-N 2.72Å; I274-L277 HydrophobicContact CD1-CD2 4.28Å; I274-L277 WeakPolarHBondContact O-CB 3.16Å; I274-L277 PolarHBondContact O-N 2.88Å; I274-L277 VanDerWaalsContact O-N 3.16Å; L277-H279 VanDerWaalsContact C-N 3.3Å; L277-H279 PolarHBondContact O-N 2.89Å; L277-N280 CarbonylContact O-C 3.58Å; L277-N280 WeakPolarHBondContact O-CA 3.24Å; L277-N280 PolarHBondContact O-N 2.83Å; L277-K281 PolarHBondContact O-N 3.35Å; L277-L282 CarbonylContact C-O 3.5Å; L277-L282 HydrophobicContact CB-CB 4.23Å; L277-L282 HydrophobicContact CG-CB 4.37Å; L277-L282 WeakPolarHBondContact O-CB 3.41Å; L277-L282 PolarHBondContact O-N 3.27Å; L277-H284 HydrophobicContact CD2-CB 3.91Å; L277-F324 HydrophobicContact CD1-CE1 4.06Å; L277-F324 HydrophobicContact CD2-CD1 4.18Å; L277-F324 HydrophobicContact CD2-CE1 3.75Å; L277-F324 HydrophobicContact CG-CE1 4.34Å
278	H	98.8	Very high	98.6	Very high	29 Å²	29	24.6 Å²	24.6	13%	0.134	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-40.1	-178.1	-67.7	-177.6	0	0	0	111.8	I274 N275 N280 K281 L282 Q356 D359	I274-H278 WeakPolarHBondContact CG2-NE2 3.47Å; I274-H278 PolarHBondContact O-CD2 3.48Å; I274-H278 VanDerWaalsContact O-CG 3.3Å; I274-H278 PolarHBondContact O-N 2.88Å; N275-H278 PolarHBondContact O-N 3.37Å; H278-N280 PolarHBondContact O-N 2.86Å; H278-K281 PolarHBondContact O-N 2.84Å; H278-L282 PolarHBondContact CD2-O 3.34Å; H278-Q356 HydrophobicContact CB-CB 4.46Å; H278-Q356 HydrophobicContact CB-CG 4.01Å; H278-Q356 PolarHBondContact CE1-O 2.96Å; H278-Q356 PolarHBondContact NE2-O 3.46Å; H278-D359 IonicContact CD2-OD2 3.96Å; H278-D359 IonicContact NE2-OD2 3.7Å; H278-D359 PolarHBondContact NE2-OD2 2.82Å
279	H	98.4	Very high	98.6	Very high	117 Å²	117	21.4 Å²	21.4	54%	0.542	10%	0.099	S	C	.	.	H	α-helix	trans	-63.9	-26.2	173.4	-80.7	105.1	0	0	0	114	N275 F276 L277 K281 D467	N275-H279 PolarHBondContact ND2-CE1 2.91Å; N275-H279 PolarHBondContact O-N 3.38Å; N275-H279 PolarHBondContact O-ND1 3.32Å; N275-H279 PolarHBondContact OD1-CE1 2.84Å; F276-H279 PolarHBondContact O-N 3.26Å; L277-H279 VanDerWaalsContact C-N 3.3Å; L277-H279 PolarHBondContact O-N 2.89Å; H279-K281 VanDerWaalsContact C-N 3.28Å; H279-D467 IonicContact CE1-OD1 3.71Å; H279-D467 PolarHBondContact CE1-OD1 3.17Å; H279-D467 IonicContact CE1-OD2 3.82Å; H279-D467 IonicContact NE2-OD1 3.13Å; H279-D467 IonicContact NE2-OD2 3.18Å
280	N	98.4	Very high	98.5	Very high	34 Å²	34	23.4 Å²	23.4	18%	0.182	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	18.9	174.8	-71.9	-79.5	0	0	0	112.6	F276 L277 H278 L282	F276-N280 WeakPolarHBondContact CD2-ND2 3.47Å; F276-N280 WeakPolarHBondContact CE2-ND2 3.34Å; F276-N280 PolarHBondContact O-N 3.34Å; F276-N280 PolarHBondContact O-ND2 2.83Å; L277-N280 CarbonylContact O-C 3.58Å; L277-N280 WeakPolarHBondContact O-CA 3.24Å; L277-N280 PolarHBondContact O-N 2.83Å; H278-N280 PolarHBondContact O-N 2.86Å; N280-L282 PolarHBondContact O-N 2.87Å
281	K	98.4	Very high	98.5	Very high	135 Å²	135	24 Å²	24	59%	0.587	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	30.4	178.5	-54.5	-171.1	-176.6	-177.5	0	113.5	L277 H278 H279 Y329 D330	L277-K281 PolarHBondContact O-N 3.35Å; H278-K281 PolarHBondContact O-N 2.84Å; H279-K281 VanDerWaalsContact C-N 3.28Å; K281-Y329 CarbonylContact O-C 3.5Å; K281-Y329 VanDerWaalsContact O-CA 3.3Å; K281-Y329 WeakPolarHBondContact O-CA 3.48Å; K281-D330 HydrophobicContact CB-CB 4.26Å; K281-D330 WeakPolarHBondContact CB-OD2 3.5Å; K281-D330 PolarHBondContact O-N 3.04Å
282	L	98.4	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.8	177.8	-81.5	165.1	0	0	0	109.9	V207 L211 L277 H278 N280 A327 Y329	V207-L282 HydrophobicContact CG1-CD1 4.03Å; V207-L282 HydrophobicContact CG1-CD2 4.41Å; V207-L282 HydrophobicContact CG2-CD2 4.24Å; L211-L282 HydrophobicContact CD2-CD1 3.88Å; L211-L282 HydrophobicContact CG-CD1 4.44Å; L277-L282 CarbonylContact C-O 3.5Å; L277-L282 HydrophobicContact CB-CB 4.23Å; L277-L282 HydrophobicContact CG-CB 4.37Å; L277-L282 WeakPolarHBondContact O-CB 3.41Å; L277-L282 PolarHBondContact O-N 3.27Å; H278-L282 PolarHBondContact CD2-O 3.34Å; N280-L282 PolarHBondContact O-N 2.87Å; L282-A327 HydrophobicContact CD2-CB 4.39Å; L282-Y329 HydrophobicContact CD1-CD1 4.41Å; L282-Y329 HydrophobicContact CD1-CE1 3.73Å; L282-Y329 HydrophobicContact CD2-CD1 3.5Å; L282-Y329 VanDerWaalsContact CD2-CD1 3.5Å; L282-Y329 HydrophobicContact CD2-CD2 3.74Å; L282-Y329 HydrophobicContact CD2-CE1 3.51Å; L282-Y329 HydrophobicContact CD2-CE2 3.76Å; L282-Y329 HydrophobicContact CD2-CG 3.62Å; L282-Y329 HydrophobicContact CG-CD1 3.61Å; L282-Y329 HydrophobicContact CG-CE1 3.43Å; L282-Y329 VanDerWaalsContact CG-CE1 3.43Å; L282-Y329 HydrophobicContact CG-CG 4.25Å
283	T	98.7	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.1	165.9	-54.1	0	0	0	0	108.1	T285 A327 T328 W354 Q356 C358 D359	T283-T285 HydrophobicContact CG2-CG2 3.77Å; T283-A327 CarbonylContact O-C 3.54Å; T283-A327 VanDerWaalsContact O-CA 3.23Å; T283-A327 WeakPolarHBondContact O-CA 3.31Å; T283-T328 PolarHBondContact N-O 2.81Å; T283-T328 PolarHBondContact O-N 3.49Å; T283-W354 HydrophobicContact CG2-CE3 4.29Å; T283-W354 HydrophobicContact CG2-CZ3 4.11Å; T283-Q356 PolarHBondContact OG1-N 3.05Å; T283-C358 VanDerWaalsContact CG2-SG 3.55Å; T283-D359 WeakPolarHBondContact CG2-OD2 3.37Å
284	H	98.7	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.			trans	-72.3	-40.9	-177.6	-175.8	-75.4	0	0	0	112.1	I274 L277 D286 L287 V322 D323 F324 S326 D359	I274-H284 HydrophobicContact CD1-CB 4.5Å; L277-H284 HydrophobicContact CD2-CB 3.91Å; H284-D286 PolarHBondContact CE1-O 2.82Å; H284-D286 VanDerWaalsContact ND1-C 3.32Å; H284-D286 PolarHBondContact ND1-N 3.47Å; H284-D286 PolarHBondContact O-N 3.14Å; H284-L287 HydrophobicContact CB-CD1 4.48Å; H284-L287 HydrophobicContact CB-CD2 4.12Å; H284-L287 HydrophobicContact CB-CG 4.01Å; H284-L287 PolarHBondContact ND1-N 2.97Å; H284-V322 PolarHBondContact NE2-O 3.17Å; H284-V322 VanDerWaalsContact NE2-O 3.17Å; H284-D323 PolarHBondContact CE1-O 2.74Å; H284-D323 PolarHBondContact NE2-O 3.37Å; H284-F324 AromaticContact CD2-CD1 3.99Å; H284-F324 AromaticContact CD2-CE1 3.95Å; H284-S326 CarbonylContact O-C 3.57Å; H284-D359 PolarHBondContact N-OD1 3.27Å; H284-D359 PolarHBondContact N-OD2 3.34Å
285	T	98.1	Very high	98.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.123	C	C	.	.			trans	67.1	-22.1	177	85.5	0	0	0	0	117.4	T283 S326 S339 W354 D359	T283-T285 HydrophobicContact CG2-CG2 3.77Å; T285-S326 WeakPolarHBondContact OG1-CB 3.3Å; T285-S326 PolarHBondContact OG1-O 3Å; T285-S339 WeakPolarHBondContact O-CA 3.44Å; T285-S339 WeakPolarHBondContact O-CB 3.31Å; T285-S339 PolarHBondContact O-N 2.83Å; T285-S339 VanDerWaalsContact O-N 3.09Å; T285-S339 PolarHBondContact O-OG 3.38Å; T285-W354 HydrophobicContact CG2-CE3 4.19Å; T285-W354 HydrophobicContact CG2-CH2 3.58Å; T285-W354 HydrophobicContact CG2-CZ2 4.46Å; T285-W354 HydrophobicContact CG2-CZ3 3.41Å; T285-W354 VanDerWaalsContact CG2-CZ3 3.41Å; T285-D359 PolarHBondContact N-OD1 3.19Å
286	D	97.5	Very high	98.4	Very high	16 Å²	16	31 Å²	31	9%	0.086	15%	0.146	C	C	.	.			trans	-123.7	47.4	177.3	-161.9	37.2	0	0	0	114.3	H284 K288 N291 T340	H284-D286 PolarHBondContact CE1-O 2.82Å; H284-D286 VanDerWaalsContact ND1-C 3.32Å; H284-D286 PolarHBondContact ND1-N 3.47Å; H284-D286 PolarHBondContact O-N 3.14Å; D286-K288 IonicContact OD1-NZ 3.98Å; D286-K288 IonicContact OD2-NZ 2.92Å; D286-K288 PolarHBondContact OD2-NZ 3.12Å; D286-N291 PolarHBondContact O-ND2 3.42Å; D286-T340 WeakPolarHBondContact OD1-CB 3.27Å; D286-T340 PolarHBondContact OD1-N 3.32Å; D286-T340 PolarHBondContact OD1-OG1 3.24Å
287	L	98.6	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.			trans	-73.2	129.2	174.5	-67.7	175.8	0	0	0	111.4	I274 H284 V321 Y343 D359 I363 I366	I274-L287 HydrophobicContact CD1-CD1 3.87Å; I274-L287 HydrophobicContact CD1-CD2 3.63Å; I274-L287 HydrophobicContact CD1-CG 4.32Å; I274-L287 HydrophobicContact CG1-CD1 3.77Å; I274-L287 HydrophobicContact CG1-CD2 4.28Å; I274-L287 HydrophobicContact CG2-CD1 4.21Å; H284-L287 HydrophobicContact CB-CD1 4.48Å; H284-L287 HydrophobicContact CB-CD2 4.12Å; H284-L287 HydrophobicContact CB-CG 4.01Å; H284-L287 PolarHBondContact ND1-N 2.97Å; L287-V321 HydrophobicContact CD2-CG1 4.07Å; L287-Y343 WeakPolarHBondContact O-CB 3.45Å; L287-D359 HydrophobicContact CD1-CB 3.7Å; L287-I363 HydrophobicContact CD1-CD1 4.24Å; L287-I363 HydrophobicContact CD1-CG1 3.95Å; L287-I366 HydrophobicContact CB-CD1 4.09Å
288	K	98.3	Very high	98.3	Very high	29 Å²	29	36.1 Å²	36.1	13%	0.126	18%	0.176	C	C	.	.			trans	-162.2	160.9	178.7	60.4	-170.4	-179.9	-143.2	0	110.2	D286 E290 N291 T340 Y343	D286-K288 IonicContact OD1-NZ 3.98Å; D286-K288 IonicContact OD2-NZ 2.92Å; D286-K288 PolarHBondContact OD2-NZ 3.12Å; K288-E290 VanDerWaalsContact CB-OE2 3.28Å; K288-E290 WeakPolarHBondContact CB-OE2 3.39Å; K288-E290 HydrophobicContact CD-CB 4.36Å; K288-E290 HydrophobicContact CG-CB 4.14Å; K288-E290 VanDerWaalsContact CG-OE2 3.24Å; K288-E290 WeakPolarHBondContact CG-OE2 3.48Å; K288-E290 PolarHBondContact O-N 3.39Å; K288-E290 VanDerWaalsContact O-N 3.13Å; K288-N291 WeakPolarHBondContact CE-ND2 3.33Å; K288-N291 HydrophobicContact CG-CB 4.08Å; K288-N291 PolarHBondContact O-N 3.47Å; K288-T340 HydrophobicContact CD-CG2 4.33Å; K288-T340 WeakPolarHBondContact CD-OG1 3.43Å; K288-T340 PolarHBondContact NZ-OG1 2.9Å; K288-T340 VanDerWaalsContact NZ-OG1 3.08Å; K288-Y343 HydrophobicContact CB-CD2 3.53Å; K288-Y343 HydrophobicContact CB-CE2 3.37Å; K288-Y343 HydrophobicContact CB-CG 4.25Å
289	P	98.6	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.1	179.7	-28.1	39.7	0	0	0	114.5	T246 Y247 N291 I292 Y343 I366 Y370	T246-P289 PolarHBondContact N-O 3.47Å; T246-P289 VanDerWaalsContact OG1-CA 3.3Å; T246-P289 WeakPolarHBondContact OG1-CA 3.49Å; T246-P289 WeakPolarHBondContact OG1-CB 3.44Å; T246-P289 PolarHBondContact OG1-O 2.9Å; Y247-P289 PolarHBondContact N-O 3.26Å; P289-N291 VanDerWaalsContact C-N 3.29Å; P289-N291 PolarHBondContact O-N 3.32Å; P289-I292 PolarHBondContact O-N 2.96Å; P289-Y343 WeakPolarHBondContact CD-OH 3.24Å; P289-Y343 HydrophobicContact CG-CE1 4.2Å; P289-I366 HydrophobicContact CG-CG1 4.18Å; P289-I366 HydrophobicContact CG-CG2 4.39Å; P289-Y370 HydrophobicContact CB-CE1 4.09Å; P289-Y370 HydrophobicContact CG-CE1 4.26Å
290	E	97.6	Very high	98	Very high	53 Å²	53	36 Å²	36	25%	0.248	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.3	-27.7	174.7	-56.7	93.3	134.4	0	0	112.8	S245 Y247 K288 L293	S245-E290 WeakPolarHBondContact CB-O 3.43Å; Y247-E290 HydrophobicContact CD1-CG 4.15Å; Y247-E290 HydrophobicContact CG-CG 3.94Å; K288-E290 VanDerWaalsContact CB-OE2 3.28Å; K288-E290 WeakPolarHBondContact CB-OE2 3.39Å; K288-E290 HydrophobicContact CD-CB 4.36Å; K288-E290 HydrophobicContact CG-CB 4.14Å; K288-E290 VanDerWaalsContact CG-OE2 3.24Å; K288-E290 WeakPolarHBondContact CG-OE2 3.48Å; K288-E290 PolarHBondContact O-N 3.39Å; K288-E290 VanDerWaalsContact O-N 3.13Å; E290-L293 WeakPolarHBondContact O-CD1 3.47Å
291	N	98.5	Very high	97.9	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.064	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-98.4	14.5	-178.5	-71.6	-3	0	0	0	112.7	D286 K288 P289 V322 D323	D286-N291 PolarHBondContact O-ND2 3.42Å; K288-N291 WeakPolarHBondContact CE-ND2 3.33Å; K288-N291 HydrophobicContact CG-CB 4.08Å; K288-N291 PolarHBondContact O-N 3.47Å; P289-N291 VanDerWaalsContact C-N 3.29Å; P289-N291 PolarHBondContact O-N 3.32Å; N291-V322 HydrophobicContact CB-CG2 4.19Å; N291-V322 PolarHBondContact O-N 3.12Å; N291-D323 HydrophobicContact CB-CB 4.5Å; N291-D323 PolarHBondContact ND2-OD2 2.79Å
292	I	98.8	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.9	172.3	-56.8	168.8	0	0	0	107	T246 I270 P289 I319 I366 Y370	T246-I292 HydrophobicContact CG2-CB 4.18Å; T246-I292 HydrophobicContact CG2-CG2 3.87Å; T246-I292 VanDerWaalsContact CG2-O 3.27Å; T246-I292 WeakPolarHBondContact CG2-O 3.46Å; T246-I292 PolarHBondContact N-O 2.73Å; T246-I292 PolarHBondContact OG1-O 2.88Å; I270-I292 HydrophobicContact CD1-CD1 3.65Å; I270-I292 HydrophobicContact CD1-CG2 4.4Å; I270-I292 HydrophobicContact CG1-CD1 3.93Å; I270-I292 HydrophobicContact CG1-CG2 4.29Å; I270-I292 HydrophobicContact CG2-CD1 4.48Å; P289-I292 PolarHBondContact O-N 2.96Å; I292-I319 HydrophobicContact CG2-CB 3.82Å; I292-I319 HydrophobicContact CG2-CD1 4.17Å; I292-I319 HydrophobicContact CG2-CG1 4.04Å; I292-I319 HydrophobicContact CG2-CG2 4.04Å; I292-I366 HydrophobicContact CD1-CD1 3.97Å; I292-I366 HydrophobicContact CD1-CG2 4.12Å; I292-Y370 WeakPolarHBondContact CD1-OH 3.41Å
293	L	98.8	Very high	97.1	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.9	-175.1	-83.1	63.8	0	0	0	110.5	L242 E290 I319 K320 V322	L242-L293 HydrophobicContact CB-CB 4.15Å; L242-L293 HydrophobicContact CB-CD2 3.98Å; L242-L293 HydrophobicContact CD1-CB 3.95Å; L242-L293 HydrophobicContact CD1-CD2 4.17Å; E290-L293 WeakPolarHBondContact O-CD1 3.47Å; L293-I319 CarbonylContact O-C 3.35Å; L293-I319 WeakPolarHBondContact O-CA 3.34Å; L293-I319 WeakPolarHBondContact O-CB 3.47Å; L293-K320 PolarHBondContact N-O 3.45Å; L293-K320 PolarHBondContact O-N 3.23Å; L293-V322 HydrophobicContact CB-CG1 4.4Å; L293-V322 HydrophobicContact CD1-CB 4.47Å; L293-V322 HydrophobicContact CD1-CG1 3.98Å; L293-V322 HydrophobicContact CD1-CG2 3.54Å; L293-V322 HydrophobicContact CD2-CG1 4.2Å; L293-V322 HydrophobicContact CG-CG1 4.42Å
294	F	98.8	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.1	168.3	-67.4	-66.6	0	0	0	110.3	G243 L244 T246 F249 F258 M266 K296 L314 D318 I319	G243-F294 WeakPolarHBondContact CA-O 3.28Å; G243-F294 PolarHBondContact N-O 2.58Å; L244-F294 WeakPolarHBondContact O-CD2 3.26Å; L244-F294 PolarHBondContact O-N 3.36Å; T246-F294 HydrophobicContact CG2-CD2 4.41Å; T246-F294 HydrophobicContact CG2-CE1 4.09Å; T246-F294 HydrophobicContact CG2-CE2 3.76Å; T246-F294 HydrophobicContact CG2-CZ 3.54Å; F249-F294 HydrophobicContact CB-CD2 4.34Å; F249-F294 HydrophobicContact CB-CE2 3.72Å; F249-F294 HydrophobicContact CD2-CE2 4.35Å; F249-F294 AromaticContact CG-CE2 3.97Å; F249-F294 HydrophobicContact CG-CE2 3.97Å; F258-F294 HydrophobicContact CE1-CZ 4.1Å; F258-F294 HydrophobicContact CZ-CE2 4.21Å; F258-F294 AromaticContact CZ-CZ 3.79Å; F258-F294 HydrophobicContact CZ-CZ 3.79Å; M266-F294 HydrophobicContact SD-CE1 3.55Å; M266-F294 VanDerWaalsContact SD-CE1 3.55Å; M266-F294 HydrophobicContact SD-CZ 3.78Å; F294-K296 VanDerWaalsContact C-N 3.26Å; F294-K296 PolarHBondContact O-N 3.1Å; F294-L314 HydrophobicContact CD1-CD1 4.21Å; F294-L314 HydrophobicContact CD1-CD2 4.47Å; F294-L314 HydrophobicContact CD2-CD2 4.34Å; F294-L314 HydrophobicContact CE1-CD1 3.42Å; F294-L314 VanDerWaalsContact CE1-CD1 3.42Å; F294-L314 HydrophobicContact CE1-CD2 4.43Å; F294-L314 HydrophobicContact CE2-CD1 3.88Å; F294-L314 HydrophobicContact CE2-CD2 4.27Å; F294-L314 HydrophobicContact CG-CD2 4.45Å; F294-L314 HydrophobicContact CZ-CD1 3.24Å; F294-L314 HydrophobicContact CZ-CD2 4.35Å; F294-L314 HydrophobicContact CZ-CG 4.41Å; F294-D318 WeakPolarHBondContact CA-O 3.28Å; F294-I319 HydrophobicContact CD1-CG2 3.7Å; F294-I319 HydrophobicContact CE1-CG2 3.78Å
295	V	98.3	Very high	96.1	Very high	49 Å²	49	50.4 Å²	50.4	30%	0.297	25%	0.254	S	S	.	.	S	Bend	trans	-61.2	-42.7	168.1	177.7	0	0	0	0	109.7	D318 K320	V295-D318 HydrophobicContact CB-CB 4.12Å; V295-D318 HydrophobicContact CG2-CB 3.9Å; V295-D318 PolarHBondContact N-O 3.35Å; V295-K320 HydrophobicContact CG2-CG 4.13Å
296	K	97.3	Very high	95.4	Very high	131 Å²	131	59.7 Å²	59.7	57%	0.57	29%	0.294	S	S	*	.			trans	-140.2	130.1	169	-64	-176.1	-178.9	-178.7	0	109.3	F294	F294-K296 VanDerWaalsContact C-N 3.26Å; F294-K296 PolarHBondContact O-N 3.1Å
297	S	97.3	Very high	94.8	Very high	26 Å²	26	63.3 Å²	63.3	18%	0.182	31%	0.312	C	S	.	.			trans	-100.4	23.6	-178.2	52.8	0	0	0	0	113.6	L244	L244-S297 PolarHBondContact N-OG 3.13Å; L244-S297 VanDerWaalsContact N-OG 3.14Å
298	D	97.4	Very high	94.4	Very high	92 Å²	92	71.2 Å²	71.2	49%	0.492	35%	0.346	S	S	.	.			trans	-61.2	138	175.8	-66.2	-63.1	0	0	0	111.3	K315	D298-K315 HydrophobicContact CB-CD 3.97Å; D298-K315 HydrophobicContact CB-CG 4.5Å; D298-K315 PolarHBondContact O-N 3.46Å
299	Y	96.8	Very high	94	Very high	88 Å²	88	74.2 Å²	74.2	35%	0.345	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	164.5	-179	59.3	-92.4	0	0	0	112.7	F249 V301 R312 T313 K315	F249-Y299 HydrophobicContact CE2-CD1 4.05Å; F249-Y299 HydrophobicContact CE2-CG 4.39Å; Y299-V301 HydrophobicContact CD2-CG2 4.04Å; Y299-V301 HydrophobicContact CE2-CG2 3.83Å; Y299-R312 HydrophobicContact CD2-CB 3.8Å; Y299-R312 HydrophobicContact CD2-CG 3.7Å; Y299-R312 HydrophobicContact CE2-CB 4.39Å; Y299-R312 HydrophobicContact CE2-CG 3.78Å; Y299-R312 HydrophobicContact CG-CB 4Å; Y299-R312 HydrophobicContact CG-CG 4.26Å; Y299-R312 PolarHBondContact OH-NH1 2.76Å; Y299-T313 CarbonylContact C-O 3.28Å; Y299-T313 VanDerWaalsContact CA-O 3.26Å; Y299-T313 WeakPolarHBondContact CA-O 3.31Å; Y299-T313 WeakPolarHBondContact CB-O 3.33Å; Y299-K315 WeakPolarHBondContact O-CE 3.39Å
300	V	95.8	Very high	93.6	Very high	55 Å²	55	79.3 Å²	79.3	33%	0.333	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142	164.1	-64.6	0	0	0	0	108.8	K302 T313 K315	V300-K302 HydrophobicContact CG2-CD 4.47Å; V300-K302 HydrophobicContact CG2-CG 4.33Å; V300-T313 PolarHBondContact N-O 2.86Å; V300-T313 PolarHBondContact O-N 2.62Å; V300-K315 HydrophobicContact CG1-CD 4.34Å; V300-K315 VanDerWaalsContact CG1-CE 3.46Å; V300-K315 HydrophobicContact CG1-CG 4.05Å
301	V	94.9	Very high	93.4	Very high	86 Å²	86	77.9 Å²	77.9	52%	0.521	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.9	174.1	-177.4	0	0	0	0	108.4	Y299 D310 E311	Y299-V301 HydrophobicContact CD2-CG2 4.04Å; Y299-V301 HydrophobicContact CE2-CG2 3.83Å; V301-D310 HydrophobicContact CG1-CB 3.69Å; V301-E311 WeakPolarHBondContact CA-O 3.47Å
302	K	90.6	Very high	93.2	Very high	117 Å²	117	80.3 Å²	80.3	51%	0.509	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.5	175.8	-67.3	-179.5	-179	173.7	0	109.3	V300 N304 E311	V300-K302 HydrophobicContact CG2-CD 4.47Å; V300-K302 HydrophobicContact CG2-CG 4.33Å; K302-N304 PolarHBondContact O-N 2.94Å; K302-E311 PolarHBondContact N-O 3.23Å; K302-E311 PolarHBondContact O-N 3Å
303	Y	90.4	Very high	92.9	Very high	148 Å²	148	80.8 Å²	80.8	58%	0.58	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.8	174.5	-175.5	-103.5	0	0	0	110.3	S305 K308 D310	Y303-S305 PolarHBondContact O-N 2.74Å; Y303-K308 WeakPolarHBondContact OH-CA 3.39Å; Y303-D310 WeakPolarHBondContact CD2-OD1 3.46Å
304	N	86.6	Confident	92.7	Very high	32 Å²	32	79.5 Å²	79.5	17%	0.171	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	102.2	173.6	-174.4	-39.7	0	0	0	109.2	K302 K306 M307 K308 R309 E311	K302-N304 PolarHBondContact O-N 2.94Å; N304-K306 VanDerWaalsContact C-N 3.28Å; N304-K306 PolarHBondContact O-N 2.96Å; N304-K306 WeakPolarHBondContact OD1-CB 3.38Å; N304-K306 PolarHBondContact OD1-N 2.78Å; N304-K306 VanDerWaalsContact OD1-N 3.08Å; N304-M307 HydrophobicContact CB-CB 4.35Å; N304-M307 PolarHBondContact O-N 3.09Å; N304-M307 PolarHBondContact OD1-N 2.65Å; N304-K308 WeakPolarHBondContact O-CA 3.26Å; N304-K308 PolarHBondContact O-N 3.4Å; N304-R309 WeakPolarHBondContact CB-O 3.28Å; N304-R309 PolarHBondContact N-O 3.34Å; N304-R309 PolarHBondContact O-N 3.07Å; N304-E311 HydrophobicContact CB-CB 4.22Å; N304-E311 PolarHBondContact ND2-OE2 3.05Å
305	S	88.5	Confident	92.6	Very high	90 Å²	90	86.2 Å²	86.2	63%	0.629	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.4	-178.3	58.8	0	0	0	0	113.7	Y303	Y303-S305 PolarHBondContact O-N 2.74Å
306	K	84.8	Confident	92.5	Very high	195 Å²	195	86.9 Å²	86.9	85%	0.848	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-43.1	177.9	-64.1	-177.9	179.1	178.8	0	111.1	N304	N304-K306 VanDerWaalsContact C-N 3.28Å; N304-K306 PolarHBondContact O-N 2.96Å; N304-K306 WeakPolarHBondContact OD1-CB 3.38Å; N304-K306 PolarHBondContact OD1-N 2.78Å; N304-K306 VanDerWaalsContact OD1-N 3.08Å
307	M	84.4	Confident	92.5	Very high	92 Å²	92	81 Å²	81	45%	0.453	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.6	-178.8	-56.8	-166.8	84	0	0	113.4	L256 N304 R309	L256-M307 HydrophobicContact CD2-CE 3.85Å; L256-M307 HydrophobicContact CD2-SD 3.37Å; L256-M307 WeakPolarHBondContact CD2-SD 3.49Å; N304-M307 HydrophobicContact CB-CB 4.35Å; N304-M307 PolarHBondContact O-N 3.09Å; N304-M307 PolarHBondContact OD1-N 2.65Å; M307-R309 HydrophobicContact CB-CG 3.81Å; M307-R309 PolarHBondContact O-N 3.45Å
308	K	89.8	Confident	92.6	Very high	167 Å²	167	82 Å²	82	73%	0.726	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.1	-177.6	-58.7	-178.6	179.2	179.3	0	113.3	Y303 N304	Y303-K308 WeakPolarHBondContact OH-CA 3.39Å; N304-K308 WeakPolarHBondContact O-CA 3.26Å; N304-K308 PolarHBondContact O-N 3.4Å
309	R	89.5	Confident	92.7	Very high	92 Å²	92	77.7 Å²	77.7	35%	0.347	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161	-179	64.1	-179.2	176.4	173.4	-1.5	111.4	L256 N304 M307	L256-R309 VanDerWaalsContact CG-NH2 3.34Å; N304-R309 WeakPolarHBondContact CB-O 3.28Å; N304-R309 PolarHBondContact N-O 3.34Å; N304-R309 PolarHBondContact O-N 3.07Å; M307-R309 HydrophobicContact CB-CG 3.81Å; M307-R309 PolarHBondContact O-N 3.45Å
310	D	91.5	Very high	92.8	Very high	106 Å²	106	74.4 Å²	74.4	57%	0.567	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.3	171.5	-69.8	-21.6	0	0	0	110.6	V301 Y303	V301-D310 HydrophobicContact CG1-CB 3.69Å; Y303-D310 WeakPolarHBondContact CD2-OD1 3.46Å
311	E	92.4	Very high	92.9	Very high	24 Å²	24	71.8 Å²	71.8	11%	0.112	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.8	178.6	173.3	-177.4	156.4	0	0	108.8	L256 V301 K302 N304	L256-E311 HydrophobicContact CD1-CB 4.04Å; L256-E311 HydrophobicContact CD1-CG 4Å; V301-E311 WeakPolarHBondContact CA-O 3.47Å; K302-E311 PolarHBondContact N-O 3.23Å; K302-E311 PolarHBondContact O-N 3Å; N304-E311 HydrophobicContact CB-CB 4.22Å; N304-E311 PolarHBondContact ND2-OE2 3.05Å
312	R	94	Very high	93.1	Very high	62 Å²	62	68.7 Å²	68.7	23%	0.234	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.2	171.2	-56.4	179.6	-177.6	-169.9	5.8	109	F249 E252 N253 Y299	F249-R312 HydrophobicContact CZ-CB 4.03Å; E252-R312 IonicContact OE2-CZ 3.87Å; E252-R312 IonicContact OE2-NH1 2.71Å; E252-R312 PolarHBondContact OE2-NH1 2.97Å; N253-R312 HydrophobicContact CB-CB 4.46Å; N253-R312 PolarHBondContact ND2-O 3.06Å; N253-R312 VanDerWaalsContact ND2-O 3.17Å; N253-R312 WeakPolarHBondContact OD1-CB 3.37Å; N253-R312 WeakPolarHBondContact OD1-CG 3.43Å; N253-R312 PolarHBondContact OD1-N 3.04Å; Y299-R312 HydrophobicContact CD2-CB 3.8Å; Y299-R312 HydrophobicContact CD2-CG 3.7Å; Y299-R312 HydrophobicContact CE2-CB 4.39Å; Y299-R312 HydrophobicContact CE2-CG 3.78Å; Y299-R312 HydrophobicContact CG-CB 4Å; Y299-R312 HydrophobicContact CG-CG 4.26Å; Y299-R312 PolarHBondContact OH-NH1 2.76Å
313	T	92.8	Very high	93.3	Very high	10 Å²	10	65 Å²	65	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.2	172.3	-51.5	0	0	0	0	108.8	Y299 V300	Y299-T313 CarbonylContact C-O 3.28Å; Y299-T313 VanDerWaalsContact CA-O 3.26Å; Y299-T313 WeakPolarHBondContact CA-O 3.31Å; Y299-T313 WeakPolarHBondContact CB-O 3.33Å; V300-T313 PolarHBondContact N-O 2.86Å; V300-T313 PolarHBondContact O-N 2.62Å
314	L	95.6	Very high	93.7	Very high	7 Å²	7	58 Å²	58	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	142.7	174.8	-78.9	162.3	0	0	0	111.8	F249 F258 F294	F249-L314 HydrophobicContact CD1-CD1 4.44Å; F249-L314 HydrophobicContact CD1-CG 4.41Å; F249-L314 HydrophobicContact CD2-CD2 3.77Å; F249-L314 HydrophobicContact CD2-CG 4.33Å; F249-L314 HydrophobicContact CE1-CD1 4.25Å; F249-L314 HydrophobicContact CE1-CD2 4.34Å; F249-L314 HydrophobicContact CE1-CG 3.87Å; F249-L314 HydrophobicContact CE2-CD2 3.35Å; F249-L314 HydrophobicContact CE2-CG 3.77Å; F249-L314 HydrophobicContact CG-CD2 4.42Å; F249-L314 HydrophobicContact CZ-CD1 4.36Å; F249-L314 HydrophobicContact CZ-CD2 3.69Å; F249-L314 HydrophobicContact CZ-CG 3.52Å; F258-L314 HydrophobicContact CD1-CD1 4.11Å; F258-L314 HydrophobicContact CE1-CD1 3.53Å; F258-L314 HydrophobicContact CE1-CG 4.49Å; F258-L314 HydrophobicContact CZ-CD1 4.35Å; F294-L314 HydrophobicContact CD1-CD1 4.21Å; F294-L314 HydrophobicContact CD1-CD2 4.47Å; F294-L314 HydrophobicContact CD2-CD2 4.34Å; F294-L314 HydrophobicContact CE1-CD1 3.42Å; F294-L314 VanDerWaalsContact CE1-CD1 3.42Å; F294-L314 HydrophobicContact CE1-CD2 4.43Å; F294-L314 HydrophobicContact CE2-CD1 3.88Å; F294-L314 HydrophobicContact CE2-CD2 4.27Å; F294-L314 HydrophobicContact CG-CD2 4.45Å; F294-L314 HydrophobicContact CZ-CD1 3.24Å; F294-L314 HydrophobicContact CZ-CD2 4.35Å; F294-L314 HydrophobicContact CZ-CG 4.41Å
315	K	96.5	Very high	94	Very high	141 Å²	141	57.6 Å²	57.6	61%	0.613	28%	0.283	S	S	*	.	S	Bend	trans	-83.3	-34.2	171.5	-67.2	-178	-173.9	167.4	0	112.4	D298 Y299 V300	D298-K315 HydrophobicContact CB-CD 3.97Å; D298-K315 HydrophobicContact CB-CG 4.5Å; D298-K315 PolarHBondContact O-N 3.46Å; Y299-K315 WeakPolarHBondContact O-CE 3.39Å; V300-K315 HydrophobicContact CG1-CD 4.34Å; V300-K315 VanDerWaalsContact CG1-CE 3.46Å; V300-K315 HydrophobicContact CG1-CG 4.05Å
316	N	96	Very high	94.3	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	26%	0.264	S	S	.	.			trans	-136.2	141.3	176.9	-170.3	-11	0	0	0	108.8	D318	N316-D318 PolarHBondContact ND2-OD2 3.38Å; N316-D318 WeakPolarHBondContact OD1-CB 3.36Å; N316-D318 PolarHBondContact OD1-N 2.97Å; N316-D318 PolarHBondContact OD1-OD2 3.39Å
317	T	97.8	Very high	94.9	Very high	6 Å²	6	46 Å²	46	4%	0.037	23%	0.227	C	C	.	.			trans	-110	14	178.5	64.2	0	0	0	0	112.3	H262 Q265 Q269 I319	H262-T317 HydrophobicContact CB-CG2 3.71Å; H262-T317 VanDerWaalsContact CD2-CG2 3.46Å; H262-T317 WeakPolarHBondContact CD2-CG2 3.36Å; Q265-T317 WeakPolarHBondContact CB-OG1 3.37Å; Q265-T317 PolarHBondContact OE1-OG1 3.04Å; Q269-T317 PolarHBondContact NE2-O 3.17Å; T317-I319 PolarHBondContact O-N 3Å
318	D	98.5	Very high	95.5	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	21%	0.21	S	C	.	.			trans	-60.2	123.8	172.1	-80.7	-44	0	0	0	109.1	R221 F294 V295 N316	R221-D318 IonicContact CZ-OD1 3.63Å; R221-D318 IonicContact NH1-OD1 2.83Å; R221-D318 PolarHBondContact NH1-OD1 2.95Å; R221-D318 IonicContact NH2-OD1 3.57Å; R221-D318 PolarHBondContact NH2-OD1 3.34Å; R221-D318 VanDerWaalsContact NH2-OD1 3.11Å; F294-D318 WeakPolarHBondContact CA-O 3.28Å; V295-D318 HydrophobicContact CB-CB 4.12Å; V295-D318 HydrophobicContact CG2-CB 3.9Å; V295-D318 PolarHBondContact N-O 3.35Å; N316-D318 PolarHBondContact ND2-OD2 3.38Å; N316-D318 WeakPolarHBondContact OD1-CB 3.36Å; N316-D318 PolarHBondContact OD1-N 2.97Å; N316-D318 PolarHBondContact OD1-OD2 3.39Å
319	I	98.8	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	162.8	179	60.5	75.9	0	0	0	111.5	T246 M266 Q269 I270 I292 L293 F294 T317	T246-I319 HydrophobicContact CG2-CG2 4.4Å; M266-I319 HydrophobicContact CG-CG2 4.06Å; M266-I319 HydrophobicContact SD-CG2 4.23Å; Q269-I319 HydrophobicContact CB-CD1 3.73Å; Q269-I319 HydrophobicContact CB-CG1 3.85Å; I270-I319 HydrophobicContact CG1-CD1 4.04Å; I270-I319 HydrophobicContact CG1-CG1 4.39Å; I292-I319 HydrophobicContact CG2-CB 3.82Å; I292-I319 HydrophobicContact CG2-CD1 4.17Å; I292-I319 HydrophobicContact CG2-CG1 4.04Å; I292-I319 HydrophobicContact CG2-CG2 4.04Å; L293-I319 CarbonylContact O-C 3.35Å; L293-I319 WeakPolarHBondContact O-CA 3.34Å; L293-I319 WeakPolarHBondContact O-CB 3.47Å; F294-I319 HydrophobicContact CD1-CG2 3.7Å; F294-I319 HydrophobicContact CE1-CG2 3.78Å; T317-I319 PolarHBondContact O-N 3Å
320	K	98.9	Very high	96.2	Very high	19 Å²	19	35 Å²	35	8%	0.083	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147	161.6	-72.1	-166.5	169.6	-176.3	0	110.8	S218 R221 E240 L242 L293 V295	S218-K320 WeakPolarHBondContact OG-CE 3.24Å; S218-K320 PolarHBondContact OG-NZ 2.9Å; R221-K320 HydrophobicContact CB-CG 4.28Å; R221-K320 CarbonylContact O-C 3.58Å; R221-K320 WeakPolarHBondContact O-CA 3.24Å; R221-K320 WeakPolarHBondContact O-CB 3.31Å; E240-K320 WeakPolarHBondContact OE1-CD 3.48Å; E240-K320 IonicContact OE1-NZ 3.5Å; E240-K320 PolarHBondContact OE1-NZ 3.39Å; E240-K320 IonicContact OE2-NZ 3.54Å; E240-K320 PolarHBondContact OE2-NZ 3.32Å; L242-K320 HydrophobicContact CD1-CB 3.99Å; L242-K320 HydrophobicContact CD2-CD 4.1Å; L293-K320 PolarHBondContact N-O 3.45Å; L293-K320 PolarHBondContact O-N 3.23Å; V295-K320 HydrophobicContact CG2-CG 4.13Å
321	V	98.8	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.3	172.3	-179.6	0	0	0	0	108.9	R221 V223 S273 I274 L287 F324	R221-V321 PolarHBondContact O-N 3.11Å; V223-V321 PolarHBondContact N-O 3.07Å; S273-V321 WeakPolarHBondContact OG-CG2 3.47Å; I274-V321 HydrophobicContact CD1-CG1 4.07Å; I274-V321 HydrophobicContact CD1-CG2 4.18Å; L287-V321 HydrophobicContact CD2-CG1 4.07Å; V321-F324 HydrophobicContact CB-CZ 4.45Å; V321-F324 HydrophobicContact CG1-CE1 4.48Å; V321-F324 HydrophobicContact CG1-CZ 4.16Å
322	V	98.5	Very high	96.3	Very high	22 Å²	22	39.2 Å²	39.2	13%	0.133	20%	0.204	C	C	.	.			trans	-126.7	175	-178.3	-51.2	0	0	0	0	111.1	V223 L242 H284 N291 L293	V223-V322 HydrophobicContact CB-CG1 3.98Å; V223-V322 HydrophobicContact CG1-CB 4.42Å; V223-V322 HydrophobicContact CG1-CG1 4.39Å; V223-V322 HydrophobicContact CG2-CG1 4.24Å; L242-V322 HydrophobicContact CD1-CG1 3.97Å; H284-V322 PolarHBondContact NE2-O 3.17Å; H284-V322 VanDerWaalsContact NE2-O 3.17Å; N291-V322 HydrophobicContact CB-CG2 4.19Å; N291-V322 PolarHBondContact O-N 3.12Å; L293-V322 HydrophobicContact CB-CG1 4.4Å; L293-V322 HydrophobicContact CD1-CB 4.47Å; L293-V322 HydrophobicContact CD1-CG1 3.98Å; L293-V322 HydrophobicContact CD1-CG2 3.54Å; L293-V322 HydrophobicContact CD2-CG1 4.2Å; L293-V322 HydrophobicContact CG-CG1 4.42Å
323	D	96.3	Very high	96.1	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	23%	0.227	C	C	.	.			trans	65.5	68.3	171.8	-164.2	23	0	0	0	114.5	K189 H284 N291 G325	K189-D323 IonicContact NZ-OD1 3.38Å; K189-D323 PolarHBondContact NZ-OD1 2.88Å; H284-D323 PolarHBondContact CE1-O 2.74Å; H284-D323 PolarHBondContact NE2-O 3.37Å; N291-D323 HydrophobicContact CB-CB 4.5Å; N291-D323 PolarHBondContact ND2-OD2 2.79Å; D323-G325 PolarHBondContact O-N 3.48Å
324	F	97.2	Very high	96	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-84	12.5	177.7	-60.7	-85.6	0	0	0	113	E204 V207 L208 L211 C222 V223 L277 H284 V321 S326 A327	E204-F324 HydrophobicContact CG-CB 4.42Å; V207-F324 HydrophobicContact CG1-CB 3.99Å; V207-F324 HydrophobicContact CG1-CD1 4.38Å; V207-F324 HydrophobicContact CG1-CG 4.4Å; L208-F324 HydrophobicContact CD2-CD2 3.66Å; L208-F324 HydrophobicContact CD2-CE2 4.25Å; L208-F324 HydrophobicContact CD2-CG 4.4Å; L211-F324 HydrophobicContact CD1-CD1 3.84Å; L211-F324 HydrophobicContact CD1-CE1 3.72Å; L211-F324 HydrophobicContact CD1-CG 4.31Å; L211-F324 HydrophobicContact CD1-CZ 4.1Å; C222-F324 HydrophobicContact CB-CE2 4.29Å; C222-F324 HydrophobicContact CB-CZ 3.77Å; V223-F324 HydrophobicContact CG1-CD2 4.29Å; V223-F324 HydrophobicContact CG1-CE2 3.87Å; L277-F324 HydrophobicContact CD1-CE1 4.06Å; L277-F324 HydrophobicContact CD2-CD1 4.18Å; L277-F324 HydrophobicContact CD2-CE1 3.75Å; L277-F324 HydrophobicContact CG-CE1 4.34Å; H284-F324 AromaticContact CD2-CD1 3.99Å; H284-F324 AromaticContact CD2-CE1 3.95Å; V321-F324 HydrophobicContact CB-CZ 4.45Å; V321-F324 HydrophobicContact CG1-CE1 4.48Å; V321-F324 HydrophobicContact CG1-CZ 4.16Å; F324-S326 PolarHBondContact O-N 2.65Å; F324-A327 HydrophobicContact CB-CB 4.22Å; F324-A327 HydrophobicContact CD1-CB 4.49Å; F324-A327 VanDerWaalsContact O-CB 3.31Å; F324-A327 WeakPolarHBondContact O-CB 3.31Å; F324-A327 PolarHBondContact O-N 2.94Å
325	G	94.2	Very high	95.8	Very high	25 Å²	25	47.3 Å²	47.3	26%	0.258	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-68.4	-13.6	-177	0	0	0	0	0	115	D323	D323-G325 PolarHBondContact O-N 3.48Å
326	S	94.4	Very high	95.4	Very high	33 Å²	33	46 Å²	46	23%	0.231	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-112.7	5.9	171.9	-56.3	0	0	0	0	113	H284 T285 F324 T328	H284-S326 CarbonylContact O-C 3.57Å; T285-S326 WeakPolarHBondContact OG1-CB 3.3Å; T285-S326 PolarHBondContact OG1-O 3Å; F324-S326 PolarHBondContact O-N 2.65Å; S326-T328 PolarHBondContact O-OG1 2.92Å
327	A	97	Very high	95.1	Very high	7 Å²	7	47 Å²	47	6%	0.058	26%	0.256	C	S	.	.			trans	-64.1	139	176.4	0	0	0	0	0	109.6	V207 L282 T283 F324	V207-A327 HydrophobicContact CG1-CB 4.13Å; V207-A327 HydrophobicContact CG2-CB 4.37Å; L282-A327 HydrophobicContact CD2-CB 4.39Å; T283-A327 CarbonylContact O-C 3.54Å; T283-A327 VanDerWaalsContact O-CA 3.23Å; T283-A327 WeakPolarHBondContact O-CA 3.31Å; F324-A327 HydrophobicContact CB-CB 4.22Å; F324-A327 HydrophobicContact CD1-CB 4.49Å; F324-A327 VanDerWaalsContact O-CB 3.31Å; F324-A327 WeakPolarHBondContact O-CB 3.31Å; F324-A327 PolarHBondContact O-N 2.94Å
328	T	97.1	Very high	94.9	Very high	18 Å²	18	47.4 Å²	47.4	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.9	-175.5	-53.2	0	0	0	0	109.2	T283 S326 E332 W354	T283-T328 PolarHBondContact N-O 2.81Å; T283-T328 PolarHBondContact O-N 3.49Å; S326-T328 PolarHBondContact O-OG1 2.92Å; T328-E332 HydrophobicContact CG2-CB 3.91Å; T328-W354 HydrophobicContact CG2-CH2 4.2Å
329	Y	97.7	Very high	94.6	Very high	38 Å²	38	45.6 Å²	45.6	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	152.9	172.7	-69.7	-85.7	0	0	0	111.5	V207 H210 K281 L282 D331 E332 H334	V207-Y329 HydrophobicContact CG2-CE2 3.89Å; H210-Y329 AromaticContact ND1-CE1 3.64Å; H210-Y329 AromaticContact ND1-CZ 3.67Å; H210-Y329 PolarHBondContact ND1-OH 3.16Å; K281-Y329 CarbonylContact O-C 3.5Å; K281-Y329 VanDerWaalsContact O-CA 3.3Å; K281-Y329 WeakPolarHBondContact O-CA 3.48Å; L282-Y329 HydrophobicContact CD1-CD1 4.41Å; L282-Y329 HydrophobicContact CD1-CE1 3.73Å; L282-Y329 HydrophobicContact CD2-CD1 3.5Å; L282-Y329 VanDerWaalsContact CD2-CD1 3.5Å; L282-Y329 HydrophobicContact CD2-CD2 3.74Å; L282-Y329 HydrophobicContact CD2-CE1 3.51Å; L282-Y329 HydrophobicContact CD2-CE2 3.76Å; L282-Y329 HydrophobicContact CD2-CG 3.62Å; L282-Y329 HydrophobicContact CG-CD1 3.61Å; L282-Y329 HydrophobicContact CG-CE1 3.43Å; L282-Y329 VanDerWaalsContact CG-CE1 3.43Å; L282-Y329 HydrophobicContact CG-CG 4.25Å; Y329-D331 VanDerWaalsContact CB-OD1 3.28Å; Y329-D331 WeakPolarHBondContact CB-OD1 3.23Å; Y329-D331 PolarHBondContact O-N 3.01Å; Y329-D331 VanDerWaalsContact O-N 3.14Å; Y329-E332 PolarHBondContact N-OE2 3.13Å; Y329-E332 WeakPolarHBondContact O-CB 3.44Å; Y329-E332 PolarHBondContact O-N 2.86Å; Y329-H334 PolarHBondContact O-CE1 3.28Å
330	D	96.3	Very high	94.3	Very high	65 Å²	65	47.3 Å²	47.3	35%	0.348	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.6	178.9	-71.9	-17.7	0	0	0	113.9	K281 H334 Q356	K281-D330 HydrophobicContact CB-CB 4.26Å; K281-D330 WeakPolarHBondContact CB-OD2 3.5Å; K281-D330 PolarHBondContact O-N 3.04Å; D330-H334 PolarHBondContact O-CE1 3.44Å; D330-Q356 VanDerWaalsContact CG-NE2 3.28Å; D330-Q356 PolarHBondContact OD1-NE2 3.42Å; D330-Q356 PolarHBondContact OD2-NE2 3.35Å; D330-Q356 VanDerWaalsContact OD2-NE2 3.09Å
331	D	93.4	Very high	94.2	Very high	145 Å²	145	47.7 Å²	47.7	78%	0.775	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.4	-178.9	63.1	-25.7	0	0	0	114.1	Y329	Y329-D331 VanDerWaalsContact CB-OD1 3.28Å; Y329-D331 WeakPolarHBondContact CB-OD1 3.23Å; Y329-D331 PolarHBondContact O-N 3.01Å; Y329-D331 VanDerWaalsContact O-N 3.14Å
332	E	92.4	Very high	94.1	Very high	73 Å²	73	48.8 Å²	48.8	34%	0.341	27%	0.267	S	S	.	.	S	Bend	trans	-90.9	171	177.9	-74.7	178.9	158.9	0	0	113.4	T328 Y329 H334	T328-E332 HydrophobicContact CG2-CB 3.91Å; Y329-E332 PolarHBondContact N-OE2 3.13Å; Y329-E332 WeakPolarHBondContact O-CB 3.44Å; Y329-E332 PolarHBondContact O-N 2.86Å; E332-H334 PolarHBondContact O-CE1 2.82Å; E332-H334 PolarHBondContact O-N 2.89Å; E332-H334 PolarHBondContact O-ND1 3.45Å
333	H	90.4	Very high	94.1	Very high	155 Å²	155	47.9 Å²	47.9	72%	0.718	26%	0.261	S	S	*	.			trans	-68.3	118.5	174.4	178.9	69.7	0	0	0	111.6	S335	H333-S335 PolarHBondContact O-N 3.47Å
334	H	91.1	Very high	94.2	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.245	25%	0.252	C	S	.	.			trans	-84.9	108.5	177.1	-70.2	57.6	0	0	0	111.1	Y329 D330 E332 T336 W354	Y329-H334 PolarHBondContact O-CE1 3.28Å; D330-H334 PolarHBondContact O-CE1 3.44Å; E332-H334 PolarHBondContact O-CE1 2.82Å; E332-H334 PolarHBondContact O-N 2.89Å; E332-H334 PolarHBondContact O-ND1 3.45Å; H334-T336 PolarHBondContact O-N 2.81Å; H334-W354 HydrophobicContact CB-CH2 4.29Å; H334-W354 HydrophobicContact CB-CZ2 3.89Å; H334-W354 AromaticContact CD2-CE3 3.87Å; H334-W354 AromaticContact CD2-CH2 3.58Å; H334-W354 AromaticContact CD2-CZ2 3.93Å; H334-W354 AromaticContact CD2-CZ3 3.54Å; H334-W354 PolarHBondContact CD2-O 2.99Å
335	S	89.8	Confident	94.3	Very high	41 Å²	41	46.3 Å²	46.3	29%	0.287	25%	0.252	S	S	.	.			trans	-59.3	135.7	174	-71.2	0	0	0	0	111	H333 L337 W354	H333-S335 PolarHBondContact O-N 3.47Å; S335-L337 PolarHBondContact O-N 3.32Å; S335-W354 WeakPolarHBondContact O-CZ2 3.42Å; S335-W354 PolarHBondContact O-NE1 2.99Å
336	T	88.2	Confident	94.5	Very high	115 Å²	115	45.1 Å²	45.1	71%	0.706	24%	0.24	S	C	*	.	S	Bend	trans	-64.8	-25.1	-175.2	58.2	0	0	0	0	114.7	H334	H334-T336 PolarHBondContact O-N 2.81Å
337	L	90.2	Very high	94.7	Very high	83 Å²	83	43.6 Å²	43.6	44%	0.435	23%	0.229	S	C	.	.	S	Bend	trans	-127.7	114	-179.4	-170.8	67.1	0	0	0	109.3	S335 R344 V348	S335-L337 PolarHBondContact O-N 3.32Å; L337-R344 VanDerWaalsContact CD1-CZ 3.45Å; L337-V348 HydrophobicContact CD1-CG1 4.33Å
338	V	93.8	Very high	94.7	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.097	23%	0.227	C	C	.	.			trans	-127.5	177.4	175.4	-63.5	0	0	0	0	110.4	R344 V348 W354	V338-R344 PolarHBondContact O-NE 2.71Å; V338-V348 HydrophobicContact CG2-CG1 4.04Å; V338-V348 HydrophobicContact CG2-CG2 4.15Å; V338-W354 HydrophobicContact CB-CZ2 4.32Å; V338-W354 HydrophobicContact CG1-CH2 4.08Å; V338-W354 HydrophobicContact CG1-CZ2 3.38Å; V338-W354 HydrophobicContact CG2-CD2 3.87Å; V338-W354 HydrophobicContact CG2-CE3 4.44Å; V338-W354 HydrophobicContact CG2-CG 4.19Å; V338-W354 HydrophobicContact CG2-CZ2 4.02Å
339	S	92.3	Very high	94.8	Very high	11 Å²	11	42.9 Å²	42.9	8%	0.077	22%	0.224	C	C	.	.	S	Bend	trans	66	145.2	-178.2	-38.1	0	0	0	0	115.1	T285 R344	T285-S339 WeakPolarHBondContact O-CA 3.44Å; T285-S339 WeakPolarHBondContact O-CB 3.31Å; T285-S339 PolarHBondContact O-N 2.83Å; T285-S339 VanDerWaalsContact O-N 3.09Å; T285-S339 PolarHBondContact O-OG 3.38Å; S339-R344 PolarHBondContact O-NE 3.38Å; S339-R344 PolarHBondContact O-NH2 2.84Å
340	T	93.4	Very high	94.8	Very high	36 Å²	36	41 Å²	41	22%	0.221	22%	0.216	C	C	.	.			trans	-59	137.1	161	-61.5	0	0	0	0	109.7	D286 K288 H342 Y343 R344	D286-T340 WeakPolarHBondContact OD1-CB 3.27Å; D286-T340 PolarHBondContact OD1-N 3.32Å; D286-T340 PolarHBondContact OD1-OG1 3.24Å; K288-T340 HydrophobicContact CD-CG2 4.33Å; K288-T340 WeakPolarHBondContact CD-OG1 3.43Å; K288-T340 PolarHBondContact NZ-OG1 2.9Å; K288-T340 VanDerWaalsContact NZ-OG1 3.08Å; T340-H342 VanDerWaalsContact C-N 3.3Å; T340-H342 PolarHBondContact O-N 3.32Å; T340-H342 VanDerWaalsContact O-N 3.12Å; T340-Y343 HydrophobicContact CG2-CD2 4.25Å; T340-Y343 HydrophobicContact CG2-CE2 4.35Å; T340-Y343 PolarHBondContact O-N 3.21Å; T340-Y343 VanDerWaalsContact O-N 3.07Å; T340-R344 PolarHBondContact O-N 3.04Å
341	R	94.9	Very high	94.8	Very high	27 Å²	27	39.6 Å²	39.6	10%	0.102	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-52.8	-42.4	-163.7	-179.2	178.7	-70.6	-103.4	8.4	114.2	Y343 R344 T379 H380 D381 H385	R341-Y343 PolarHBondContact O-N 3.21Å; R341-R344 WeakPolarHBondContact O-CB 3.38Å; R341-R344 PolarHBondContact O-N 3.39Å; R341-T379 WeakPolarHBondContact CD-O 3.46Å; R341-H380 VanDerWaalsContact CD-CA 3.45Å; R341-H380 PolarHBondContact NH1-O 3.48Å; R341-H380 PolarHBondContact NH2-O 3.07Å; R341-H380 VanDerWaalsContact NH2-O 3.16Å; R341-D381 VanDerWaalsContact NH1-C 3.27Å; R341-H385 PolarHBondContact O-CE1 2.71Å; R341-H385 PolarHBondContact O-ND1 2.97Å
342	H	97.4	Very high	95	Very high	23 Å²	23	35.4 Å²	35.4	11%	0.106	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-66.2	-21.6	-175.1	-54.5	134.9	0	0	0	114.3	T340 T375 F377	T340-H342 VanDerWaalsContact C-N 3.3Å; T340-H342 PolarHBondContact O-N 3.32Å; T340-H342 VanDerWaalsContact O-N 3.12Å; H342-T375 HydrophobicContact CB-CG2 3.56Å; H342-F377 PolarHBondContact CD2-O 3.14Å
343	Y	98.4	Very high	95.2	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-112.1	7.8	-176.4	-46.9	-78.5	0	0	0	112.1	L287 K288 P289 T340 R341 S362 C365 I366 E369	L287-Y343 WeakPolarHBondContact O-CB 3.45Å; K288-Y343 HydrophobicContact CB-CD2 3.53Å; K288-Y343 HydrophobicContact CB-CE2 3.37Å; K288-Y343 HydrophobicContact CB-CG 4.25Å; P289-Y343 WeakPolarHBondContact CD-OH 3.24Å; P289-Y343 HydrophobicContact CG-CE1 4.2Å; T340-Y343 HydrophobicContact CG2-CD2 4.25Å; T340-Y343 HydrophobicContact CG2-CE2 4.35Å; T340-Y343 PolarHBondContact O-N 3.21Å; T340-Y343 VanDerWaalsContact O-N 3.07Å; R341-Y343 PolarHBondContact O-N 3.21Å; Y343-S362 PolarHBondContact O-OG 2.81Å; Y343-C365 HydrophobicContact CD1-CB 3.74Å; Y343-C365 HydrophobicContact CE1-CB 4.48Å; Y343-I366 HydrophobicContact CD1-CG1 3.98Å; Y343-I366 HydrophobicContact CE1-CG1 4.09Å; Y343-E369 PolarHBondContact OH-OE2 3.26Å; Y343-E369 VanDerWaalsContact OH-OE2 3.07Å
344	R	98.3	Very high	95.6	Very high	5 Å²	5	28 Å²	28	2%	0.019	17%	0.169	C	C	.	.			trans	-78.3	128	-173.4	-173.8	-179.8	-67.6	148.4	1.4	111.5	L337 V338 S339 T340 R341 V348 I349 W361 M389	L337-R344 VanDerWaalsContact CD1-CZ 3.45Å; V338-R344 PolarHBondContact O-NE 2.71Å; S339-R344 PolarHBondContact O-NE 3.38Å; S339-R344 PolarHBondContact O-NH2 2.84Å; T340-R344 PolarHBondContact O-N 3.04Å; R341-R344 WeakPolarHBondContact O-CB 3.38Å; R341-R344 PolarHBondContact O-N 3.39Å; R344-V348 HydrophobicContact CG-CB 3.75Å; R344-V348 HydrophobicContact CG-CG1 3.75Å; R344-V348 HydrophobicContact CG-CG2 4.48Å; R344-I349 HydrophobicContact CG-CG1 3.98Å; R344-W361 PolarHBondContact O-NE1 3.07Å; R344-M389 WeakPolarHBondContact O-CE 3.19Å
345	A	98.6	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.172	C	C	.	.			trans	-68.5	152.1	179.5	0	0	0	0	0	113.2	E347 V348 I349 C358 W361	A345-E347 VanDerWaalsContact C-N 3.33Å; A345-E347 VanDerWaalsContact CB-CD 3.44Å; A345-E347 HydrophobicContact CB-CG 4.47Å; A345-E347 VanDerWaalsContact CB-OE1 3.26Å; A345-E347 WeakPolarHBondContact CB-OE1 3.44Å; A345-E347 WeakPolarHBondContact CB-OE2 3.45Å; A345-E347 PolarHBondContact O-N 3.29Å; A345-V348 HydrophobicContact CB-CG2 4.26Å; A345-V348 WeakPolarHBondContact O-CB 3.49Å; A345-V348 PolarHBondContact O-N 3.13Å; A345-V348 VanDerWaalsContact O-N 3.13Å; A345-I349 PolarHBondContact O-N 2.88Å; A345-C358 HydrophobicContact CB-CB 4.03Å; A345-W361 VanDerWaalsContact CA-CD1 3.48Å; A345-W361 HydrophobicContact CB-CB 3.72Å; A345-W361 HydrophobicContact CB-CD2 4.27Å; A345-W361 HydrophobicContact CB-CG 3.69Å
346	P	98.6	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-37.7	-177.6	22.9	-33.8	0	0	0	112.9	V348 I349 L350 W361 M389 M400 Y458	P346-V348 PolarHBondContact O-N 3.34Å; P346-I349 PolarHBondContact O-N 2.69Å; P346-L350 VanDerWaalsContact O-CB 3.27Å; P346-L350 WeakPolarHBondContact O-CB 2.99Å; P346-L350 WeakPolarHBondContact O-CG 3.15Å; P346-L350 PolarHBondContact O-N 3.35Å; P346-W361 VanDerWaalsContact CD-CE3 3.49Å; P346-W361 HydrophobicContact CG-CE3 4.1Å; P346-W361 HydrophobicContact CG-CH2 4.02Å; P346-W361 HydrophobicContact CG-CZ3 3.79Å; P346-M389 HydrophobicContact CB-SD 3.98Å; P346-M400 HydrophobicContact CB-CE 4.46Å; P346-Y458 HydrophobicContact CB-CD1 3.91Å; P346-Y458 HydrophobicContact CB-CE1 4.38Å; P346-Y458 HydrophobicContact CG-CD1 3.8Å
347	E	98.6	Very high	96.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-30.7	177.2	66.3	-83.6	-165.9	0	0	113	A345 A351 L352 G353 W354 M400 P460 R463	A345-E347 VanDerWaalsContact C-N 3.33Å; A345-E347 VanDerWaalsContact CB-CD 3.44Å; A345-E347 HydrophobicContact CB-CG 4.47Å; A345-E347 VanDerWaalsContact CB-OE1 3.26Å; A345-E347 WeakPolarHBondContact CB-OE1 3.44Å; A345-E347 WeakPolarHBondContact CB-OE2 3.45Å; A345-E347 PolarHBondContact O-N 3.29Å; E347-A351 PolarHBondContact O-N 3.1Å; E347-L352 HydrophobicContact CB-CB 4.21Å; E347-L352 PolarHBondContact O-N 3.07Å; E347-G353 WeakPolarHBondContact CG-O 3.36Å; E347-W354 HydrophobicContact CG-CB 4.32Å; E347-M400 HydrophobicContact CB-CE 4.25Å; E347-P460 HydrophobicContact CB-CG 4.2Å; E347-P460 HydrophobicContact CG-CB 4.39Å; E347-P460 HydrophobicContact CG-CG 4.13Å; E347-R463 IonicContact OE1-CZ 3.35Å; E347-R463 IonicContact OE1-NH1 3.8Å; E347-R463 PolarHBondContact OE1-NH1 2.79Å; E347-R463 IonicContact OE1-NH2 3.12Å; E347-R463 IonicContact OE2-CZ 3.75Å; E347-R463 IonicContact OE2-NH1 3.24Å; E347-R463 PolarHBondContact OE2-NH1 3.35Å; E347-R463 IonicContact OE2-NH2 3.54Å; E347-R463 PolarHBondContact OE2-NH2 2.73Å
348	V	98.3	Very high	97.3	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-71.9	-47.6	173.8	-176	0	0	0	0	110	L337 V338 R344 A345 P346 L350 A351 W354 C358	L337-V348 HydrophobicContact CD1-CG1 4.33Å; V338-V348 HydrophobicContact CG2-CG1 4.04Å; V338-V348 HydrophobicContact CG2-CG2 4.15Å; R344-V348 HydrophobicContact CG-CB 3.75Å; R344-V348 HydrophobicContact CG-CG1 3.75Å; R344-V348 HydrophobicContact CG-CG2 4.48Å; A345-V348 HydrophobicContact CB-CG2 4.26Å; A345-V348 WeakPolarHBondContact O-CB 3.49Å; A345-V348 PolarHBondContact O-N 3.13Å; A345-V348 VanDerWaalsContact O-N 3.13Å; P346-V348 PolarHBondContact O-N 3.34Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 3.38Å; V348-A351 PolarHBondContact O-N 3.44Å; V348-W354 HydrophobicContact CG2-CB 3.76Å; V348-W354 HydrophobicContact CG2-CG 3.96Å; V348-C358 HydrophobicContact CG2-CB 4.29Å
349	I	98.1	Very high	97.5	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.036	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-40.6	177.8	-60.8	173.9	0	0	0	111	R344 A345 P346 A351 H385 L386 M389	R344-I349 HydrophobicContact CG-CG1 3.98Å; A345-I349 PolarHBondContact O-N 2.88Å; P346-I349 PolarHBondContact O-N 2.69Å; I349-A351 VanDerWaalsContact C-N 3.26Å; I349-A351 PolarHBondContact O-N 2.93Å; I349-H385 HydrophobicContact CD1-CB 4.23Å; I349-H385 WeakPolarHBondContact CD1-ND1 3.39Å; I349-L386 HydrophobicContact CB-CD2 4.43Å; I349-L386 HydrophobicContact CG2-CD1 4.1Å; I349-L386 HydrophobicContact CG2-CD2 4.04Å; I349-L386 HydrophobicContact CG2-CG 4Å; I349-M389 HydrophobicContact CD1-CE 3.52Å
350	L	97.8	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.8	179.7	-63.7	175.5	0	0	0	113.3	P346 V348 L352 L386 I396 M400 T404 F410	P346-L350 VanDerWaalsContact O-CB 3.27Å; P346-L350 WeakPolarHBondContact O-CB 2.99Å; P346-L350 WeakPolarHBondContact O-CG 3.15Å; P346-L350 PolarHBondContact O-N 3.35Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 3.38Å; L350-L352 VanDerWaalsContact C-N 3.3Å; L350-L352 HydrophobicContact CB-CD1 3.85Å; L350-L352 HydrophobicContact CB-CG 3.81Å; L350-L352 HydrophobicContact CD1-CD1 4.09Å; L350-L352 PolarHBondContact O-N 3.42Å; L350-L386 HydrophobicContact CD2-CD1 3.88Å; L350-L386 HydrophobicContact CD2-CD2 4.26Å; L350-L386 HydrophobicContact CG-CD2 4.37Å; L350-I396 HydrophobicContact CD1-CG2 4.32Å; L350-M400 HydrophobicContact CD1-CB 4.26Å; L350-M400 HydrophobicContact CD1-CE 4.18Å; L350-T404 HydrophobicContact CD2-CG2 4.28Å; L350-T404 WeakPolarHBondContact O-CB 3.46Å; L350-T404 PolarHBondContact O-OG1 3.45Å; L350-F410 HydrophobicContact CD2-CE2 3.63Å; L350-F410 HydrophobicContact CD2-CZ 3.66Å
351	A	97	Very high	98.1	Very high	34 Å²	34	16.7 Å²	16.7	28%	0.281	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	47.7	-178.7	0	0	0	0	0	112.7	E347 V348 I349	E347-A351 PolarHBondContact O-N 3.1Å; V348-A351 PolarHBondContact O-N 3.44Å; I349-A351 VanDerWaalsContact C-N 3.26Å; I349-A351 PolarHBondContact O-N 2.93Å
352	L	97.4	Very high	98.3	Very high	58 Å²	58	15.4 Å²	15.4	30%	0.304	10%	0.099	S	C	.	.	S	Bend	trans	-92.8	1.9	179.6	-66.2	175.1	0	0	0	113.3	E347 L350 M400 K403	E347-L352 HydrophobicContact CB-CB 4.21Å; E347-L352 PolarHBondContact O-N 3.07Å; L350-L352 VanDerWaalsContact C-N 3.3Å; L350-L352 HydrophobicContact CB-CD1 3.85Å; L350-L352 HydrophobicContact CB-CG 3.81Å; L350-L352 HydrophobicContact CD1-CD1 4.09Å; L350-L352 PolarHBondContact O-N 3.42Å; L352-M400 HydrophobicContact CD1-CB 3.81Å; L352-M400 HydrophobicContact CD1-CE 3.67Å; L352-M400 HydrophobicContact CD1-CG 4.1Å; L352-K403 HydrophobicContact CD2-CB 3.66Å
353	G	96.8	Very high	98.3	Very high	50 Å²	50	14.3 Å²	14.3	52%	0.515	9%	0.094	S	C	.	.			trans	86.5	154.6	-163.5	0	0	0	0	0	110.5	E347	E347-G353 WeakPolarHBondContact CG-O 3.36Å
354	W	98.3	Very high	98.4	Very high	23 Å²	23	14.1 Å²	14.1	9%	0.087	9%	0.094	C	C	.	.			trans	-145.2	159	178.4	56.5	-97.4	0	0	0	109.1	T283 T285 T328 H334 S335 V338 E347 V348 C358	T283-W354 HydrophobicContact CG2-CE3 4.29Å; T283-W354 HydrophobicContact CG2-CZ3 4.11Å; T285-W354 HydrophobicContact CG2-CE3 4.19Å; T285-W354 HydrophobicContact CG2-CH2 3.58Å; T285-W354 HydrophobicContact CG2-CZ2 4.46Å; T285-W354 HydrophobicContact CG2-CZ3 3.41Å; T285-W354 VanDerWaalsContact CG2-CZ3 3.41Å; T328-W354 HydrophobicContact CG2-CH2 4.2Å; H334-W354 HydrophobicContact CB-CH2 4.29Å; H334-W354 HydrophobicContact CB-CZ2 3.89Å; H334-W354 AromaticContact CD2-CE3 3.87Å; H334-W354 AromaticContact CD2-CH2 3.58Å; H334-W354 AromaticContact CD2-CZ2 3.93Å; H334-W354 AromaticContact CD2-CZ3 3.54Å; H334-W354 PolarHBondContact CD2-O 2.99Å; S335-W354 WeakPolarHBondContact O-CZ2 3.42Å; S335-W354 PolarHBondContact O-NE1 2.99Å; V338-W354 HydrophobicContact CB-CZ2 4.32Å; V338-W354 HydrophobicContact CG1-CH2 4.08Å; V338-W354 HydrophobicContact CG1-CZ2 3.38Å; V338-W354 HydrophobicContact CG2-CD2 3.87Å; V338-W354 HydrophobicContact CG2-CE3 4.44Å; V338-W354 HydrophobicContact CG2-CG 4.19Å; V338-W354 HydrophobicContact CG2-CZ2 4.02Å; E347-W354 HydrophobicContact CG-CB 4.32Å; V348-W354 HydrophobicContact CG2-CB 3.76Å; V348-W354 HydrophobicContact CG2-CG 3.96Å; W354-C358 HydrophobicContact CB-CB 4.34Å
355	S	98.2	Very high	98.4	Very high	43 Å²	43	14.2 Å²	14.2	30%	0.301	10%	0.095	S	C	.	.			trans	-154.6	-155.2	171.9	72.9	0	0	0	0	107.5	P357 C358	S355-P357 VanDerWaalsContact C-N 3.29Å; S355-P357 WeakPolarHBondContact O-CD 2.8Å; S355-P357 WeakPolarHBondContact OG-CD 3.28Å; S355-C358 PolarHBondContact O-N 3.09Å; S355-C358 PolarHBondContact O-SG 3.35Å
356	Q	98.7	Very high	98.4	Very high	39 Å²	39	14.2 Å²	14.2	18%	0.182	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.5	-40.8	-180	-60.5	85.3	-6.2	0	0	116.2	H278 T283 D330 C358 D359	H278-Q356 HydrophobicContact CB-CB 4.46Å; H278-Q356 HydrophobicContact CB-CG 4.01Å; H278-Q356 PolarHBondContact CE1-O 2.96Å; H278-Q356 PolarHBondContact NE2-O 3.46Å; T283-Q356 PolarHBondContact OG1-N 3.05Å; D330-Q356 VanDerWaalsContact CG-NE2 3.28Å; D330-Q356 PolarHBondContact OD1-NE2 3.42Å; D330-Q356 PolarHBondContact OD2-NE2 3.35Å; D330-Q356 VanDerWaalsContact OD2-NE2 3.09Å; Q356-C358 PolarHBondContact O-N 2.92Å; Q356-D359 WeakPolarHBondContact O-CB 3.39Å; Q356-D359 PolarHBondContact O-N 3.46Å; Q356-D359 VanDerWaalsContact O-N 3.09Å
357	P	98.8	Very high	98.4	Very high	31 Å²	31	14.2 Å²	14.2	20%	0.201	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-21.4	-179.6	-26.2	36.8	0	0	0	114.5	S355 D359 V360 W361 P460 R463	S355-P357 VanDerWaalsContact C-N 3.29Å; S355-P357 WeakPolarHBondContact O-CD 2.8Å; S355-P357 WeakPolarHBondContact OG-CD 3.28Å; P357-D359 VanDerWaalsContact C-N 3.27Å; P357-D359 PolarHBondContact O-N 3.35Å; P357-V360 WeakPolarHBondContact O-CB 3.48Å; P357-V360 PolarHBondContact O-N 2.89Å; P357-W361 PolarHBondContact O-N 3.39Å; P357-P460 HydrophobicContact CB-CB 3.75Å; P357-P460 HydrophobicContact CG-CB 4.21Å; P357-R463 VanDerWaalsContact C-NH1 3.28Å; P357-R463 WeakPolarHBondContact O-CD 3.5Å; P357-R463 PolarHBondContact O-NH1 3.13Å
358	C	98.8	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.2	-34	177.6	73.4	0	0	0	0	112	T283 A345 V348 W354 S355 Q356 V360 W361 S362	T283-C358 VanDerWaalsContact CG2-SG 3.55Å; A345-C358 HydrophobicContact CB-CB 4.03Å; V348-C358 HydrophobicContact CG2-CB 4.29Å; W354-C358 HydrophobicContact CB-CB 4.34Å; S355-C358 PolarHBondContact O-N 3.09Å; S355-C358 PolarHBondContact O-SG 3.35Å; Q356-C358 PolarHBondContact O-N 2.92Å; C358-V360 VanDerWaalsContact C-N 3.32Å; C358-V360 PolarHBondContact O-N 3.28Å; C358-W361 WeakPolarHBondContact O-CB 3.45Å; C358-W361 PolarHBondContact O-N 2.88Å; C358-S362 PolarHBondContact O-N 3.37Å; C358-S362 VanDerWaalsContact O-N 3.14Å; C358-S362 PolarHBondContact O-OG 3.24Å
359	D	98.9	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.6	-38.1	175	-70.6	-22.5	0	0	0	111.1	I274 H278 T283 H284 T285 L287 Q356 P357 W361 S362 I363	I274-D359 HydrophobicContact CG2-CB 3.85Å; H278-D359 IonicContact CD2-OD2 3.96Å; H278-D359 IonicContact NE2-OD2 3.7Å; H278-D359 PolarHBondContact NE2-OD2 2.82Å; T283-D359 WeakPolarHBondContact CG2-OD2 3.37Å; H284-D359 PolarHBondContact N-OD1 3.27Å; H284-D359 PolarHBondContact N-OD2 3.34Å; T285-D359 PolarHBondContact N-OD1 3.19Å; L287-D359 HydrophobicContact CD1-CB 3.7Å; Q356-D359 WeakPolarHBondContact O-CB 3.39Å; Q356-D359 PolarHBondContact O-N 3.46Å; Q356-D359 VanDerWaalsContact O-N 3.09Å; P357-D359 VanDerWaalsContact C-N 3.27Å; P357-D359 PolarHBondContact O-N 3.35Å; D359-W361 VanDerWaalsContact C-N 3.3Å; D359-W361 PolarHBondContact O-N 3.23Å; D359-S362 WeakPolarHBondContact O-CB 3.33Å; D359-S362 PolarHBondContact O-N 3.49Å; D359-S362 VanDerWaalsContact O-N 3.15Å; D359-I363 VanDerWaalsContact O-CG1 3.31Å; D359-I363 WeakPolarHBondContact O-CG1 3.42Å; D359-I363 PolarHBondContact O-N 3.38Å
360	V	98.9	Very high	98.4	Very high	3 Å²	3	14 Å²	14	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-41.2	177.5	-175	0	0	0	0	111.1	P357 C358 I363 G364 M455 R463 I464 L466	P357-V360 WeakPolarHBondContact O-CB 3.48Å; P357-V360 PolarHBondContact O-N 2.89Å; C358-V360 VanDerWaalsContact C-N 3.32Å; C358-V360 PolarHBondContact O-N 3.28Å; V360-I363 PolarHBondContact O-N 3.02Å; V360-G364 PolarHBondContact O-N 3.32Å; V360-M455 HydrophobicContact CG1-CB 3.98Å; V360-M455 HydrophobicContact CG1-CG 3.74Å; V360-R463 HydrophobicContact CB-CG 4.42Å; V360-R463 HydrophobicContact CG1-CG 4.12Å; V360-I464 HydrophobicContact CG1-CG2 4.08Å; V360-I464 WeakPolarHBondContact CG1-O 3.06Å; V360-L466 HydrophobicContact CG1-CD2 4.45Å; V360-L466 HydrophobicContact CG2-CD2 4Å; V360-L466 HydrophobicContact CG2-CG 3.95Å
361	W	98.9	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-47.2	173.7	178	-80.2	0	0	0	111.4	R344 A345 P346 P357 C358 D359 I363 G364 C365 F377 M389 L393 L456 Y458	R344-W361 PolarHBondContact O-NE1 3.07Å; A345-W361 VanDerWaalsContact CA-CD1 3.48Å; A345-W361 HydrophobicContact CB-CB 3.72Å; A345-W361 HydrophobicContact CB-CD2 4.27Å; A345-W361 HydrophobicContact CB-CG 3.69Å; P346-W361 VanDerWaalsContact CD-CE3 3.49Å; P346-W361 HydrophobicContact CG-CE3 4.1Å; P346-W361 HydrophobicContact CG-CH2 4.02Å; P346-W361 HydrophobicContact CG-CZ3 3.79Å; P357-W361 PolarHBondContact O-N 3.39Å; C358-W361 WeakPolarHBondContact O-CB 3.45Å; C358-W361 PolarHBondContact O-N 2.88Å; D359-W361 VanDerWaalsContact C-N 3.3Å; D359-W361 PolarHBondContact O-N 3.23Å; W361-I363 VanDerWaalsContact C-N 3.28Å; W361-I363 PolarHBondContact O-N 2.89Å; W361-G364 WeakPolarHBondContact O-CA 3.4Å; W361-G364 PolarHBondContact O-N 3.41Å; W361-G364 VanDerWaalsContact O-N 3.07Å; W361-C365 PolarHBondContact O-N 3.46Å; W361-F377 HydrophobicContact CZ2-CE2 4.08Å; W361-F377 HydrophobicContact CZ2-CZ 4.31Å; W361-M389 HydrophobicContact CH2-CE 4.39Å; W361-M389 HydrophobicContact CH2-CG 4.43Å; W361-M389 HydrophobicContact CH2-SD 4.09Å; W361-M389 HydrophobicContact CZ2-CE 3.6Å; W361-M389 HydrophobicContact CZ2-CG 4.17Å; W361-M389 HydrophobicContact CZ2-SD 3.86Å; W361-L393 HydrophobicContact CH2-CD1 3.41Å; W361-L393 VanDerWaalsContact CH2-CD1 3.41Å; W361-L393 HydrophobicContact CZ2-CD1 4.2Å; W361-L393 HydrophobicContact CZ3-CD1 4.1Å; W361-L456 HydrophobicContact CD2-CD2 3.73Å; W361-L456 HydrophobicContact CE3-CB 4.37Å; W361-L456 HydrophobicContact CE3-CD2 3.95Å; W361-L456 HydrophobicContact CG-CD2 4.18Å; W361-L456 HydrophobicContact CH2-CB 4.49Å; W361-L456 HydrophobicContact CH2-CD2 4.37Å; W361-L456 HydrophobicContact CZ2-CD2 4.13Å; W361-L456 HydrophobicContact CZ3-CB 4.14Å; W361-L456 HydrophobicContact CZ3-CD2 4.28Å; W361-L456 VanDerWaalsContact CZ3-O 3.24Å; W361-L456 WeakPolarHBondContact CZ3-O 3.25Å; W361-Y458 HydrophobicContact CH2-CD1 4.5Å; W361-Y458 HydrophobicContact CH2-CE1 4.44Å
362	S	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-41.4	177.8	-56.9	0	0	0	0	111.8	Y343 C358 D359 C365 I366	Y343-S362 PolarHBondContact O-OG 2.81Å; C358-S362 PolarHBondContact O-N 3.37Å; C358-S362 VanDerWaalsContact O-N 3.14Å; C358-S362 PolarHBondContact O-OG 3.24Å; D359-S362 WeakPolarHBondContact O-CB 3.33Å; D359-S362 PolarHBondContact O-N 3.49Å; D359-S362 VanDerWaalsContact O-N 3.15Å; S362-C365 WeakPolarHBondContact O-CB 3.4Å; S362-C365 PolarHBondContact O-N 3.18Å; S362-I366 WeakPolarHBondContact O-CD1 3.05Å; S362-I366 VanDerWaalsContact O-CG1 3.24Å; S362-I366 WeakPolarHBondContact O-CG1 3.3Å; S362-I366 PolarHBondContact O-N 2.77Å
363	I	98.9	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-46.6	173.7	-64.3	165.2	0	0	0	110.5	I270 I274 L287 D359 V360 W361 C365 I366 L367 M455 L466	I270-I363 HydrophobicContact CG2-CD1 3.97Å; I270-I363 HydrophobicContact CG2-CG1 3.8Å; I270-I363 HydrophobicContact CG2-CG2 4.3Å; I274-I363 HydrophobicContact CB-CD1 4.2Å; I274-I363 HydrophobicContact CG1-CD1 4.15Å; I274-I363 HydrophobicContact CG2-CD1 4.31Å; L287-I363 HydrophobicContact CD1-CD1 4.24Å; L287-I363 HydrophobicContact CD1-CG1 3.95Å; D359-I363 VanDerWaalsContact O-CG1 3.31Å; D359-I363 WeakPolarHBondContact O-CG1 3.42Å; D359-I363 PolarHBondContact O-N 3.38Å; V360-I363 PolarHBondContact O-N 3.02Å; W361-I363 VanDerWaalsContact C-N 3.28Å; W361-I363 PolarHBondContact O-N 2.89Å; I363-C365 VanDerWaalsContact C-N 3.29Å; I363-C365 PolarHBondContact O-N 3.46Å; I363-I366 WeakPolarHBondContact O-CB 3.33Å; I363-I366 PolarHBondContact O-N 3.27Å; I363-I366 VanDerWaalsContact O-N 3.09Å; I363-L367 HydrophobicContact CG2-CD1 4.22Å; I363-L367 HydrophobicContact CG2-CG 4.12Å; I363-L367 WeakPolarHBondContact O-CG 3.26Å; I363-L367 PolarHBondContact O-N 3.13Å; I363-M455 HydrophobicContact CB-SD 4.41Å; I363-M455 HydrophobicContact CG2-CE 3.85Å; I363-M455 HydrophobicContact CG2-SD 3.83Å; I363-L466 HydrophobicContact CD1-CD1 4.26Å; I363-L466 HydrophobicContact CD1-CD2 3.92Å
364	G	98.9	Very high	98.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-53.7	-44.3	175.7	0	0	0	0	0	112.9	V360 W361 I368	V360-G364 PolarHBondContact O-N 3.32Å; W361-G364 WeakPolarHBondContact O-CA 3.4Å; W361-G364 PolarHBondContact O-N 3.41Å; W361-G364 VanDerWaalsContact O-N 3.07Å; G364-I368 WeakPolarHBondContact O-CG1 3.4Å; G364-I368 PolarHBondContact O-N 3.23Å
365	C	98.9	Very high	98.3	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-63.2	-46.3	174.4	-67.9	0	0	0	0	112.6	Y343 W361 S362 I363 L367 I368 E369	Y343-C365 HydrophobicContact CD1-CB 3.74Å; Y343-C365 HydrophobicContact CE1-CB 4.48Å; W361-C365 PolarHBondContact O-N 3.46Å; S362-C365 WeakPolarHBondContact O-CB 3.4Å; S362-C365 PolarHBondContact O-N 3.18Å; I363-C365 VanDerWaalsContact C-N 3.29Å; I363-C365 PolarHBondContact O-N 3.46Å; C365-L367 VanDerWaalsContact C-N 3.32Å; C365-L367 PolarHBondContact O-N 3.19Å; C365-I368 PolarHBondContact O-N 2.81Å; C365-E369 PolarHBondContact O-N 3.01Å
366	I	98.9	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-43.3	178.9	-69.9	163.1	0	0	0	111	L287 P289 I292 Y343 S362 I363 I368 E369 Y370	L287-I366 HydrophobicContact CB-CD1 4.09Å; P289-I366 HydrophobicContact CG-CG1 4.18Å; P289-I366 HydrophobicContact CG-CG2 4.39Å; I292-I366 HydrophobicContact CD1-CD1 3.97Å; I292-I366 HydrophobicContact CD1-CG2 4.12Å; Y343-I366 HydrophobicContact CD1-CG1 3.98Å; Y343-I366 HydrophobicContact CE1-CG1 4.09Å; S362-I366 WeakPolarHBondContact O-CD1 3.05Å; S362-I366 VanDerWaalsContact O-CG1 3.24Å; S362-I366 WeakPolarHBondContact O-CG1 3.3Å; S362-I366 PolarHBondContact O-N 2.77Å; I363-I366 WeakPolarHBondContact O-CB 3.33Å; I363-I366 PolarHBondContact O-N 3.27Å; I363-I366 VanDerWaalsContact O-N 3.09Å; I366-I368 PolarHBondContact O-N 3.31Å; I366-E369 WeakPolarHBondContact O-CB 3.47Å; I366-E369 PolarHBondContact O-N 3.31Å; I366-E369 VanDerWaalsContact O-N 3.15Å; I366-Y370 HydrophobicContact CG2-CD1 4.25Å; I366-Y370 HydrophobicContact CG2-CD2 4.09Å; I366-Y370 HydrophobicContact CG2-CE1 3.78Å; I366-Y370 HydrophobicContact CG2-CE2 3.57Å; I366-Y370 HydrophobicContact CG2-CG 4.4Å; I366-Y370 PolarHBondContact O-N 3.05Å
367	L	98.9	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-37.2	-178.7	-65.3	-169.3	0	0	0	112.5	I263 A267 I363 C365 E369 Y370 Y371 L448 V452 M455	I263-L367 HydrophobicContact CG2-CD2 4.46Å; A267-L367 HydrophobicContact CB-CD1 3.9Å; A267-L367 HydrophobicContact CB-CD2 3.51Å; A267-L367 HydrophobicContact CB-CG 4.37Å; I363-L367 HydrophobicContact CG2-CD1 4.22Å; I363-L367 HydrophobicContact CG2-CG 4.12Å; I363-L367 WeakPolarHBondContact O-CG 3.26Å; I363-L367 PolarHBondContact O-N 3.13Å; C365-L367 VanDerWaalsContact C-N 3.32Å; C365-L367 PolarHBondContact O-N 3.19Å; L367-E369 VanDerWaalsContact C-N 3.35Å; L367-Y370 HydrophobicContact CD2-CD2 4.3Å; L367-Y371 WeakPolarHBondContact O-CB 3.34Å; L367-Y371 PolarHBondContact O-N 2.81Å; L367-Y371 VanDerWaalsContact O-N 3.1Å; L367-L448 HydrophobicContact CD1-CD1 4.38Å; L367-V452 HydrophobicContact CB-CG2 3.92Å; L367-V452 HydrophobicContact CD1-CG2 4.35Å; L367-M455 HydrophobicContact CD1-CE 4.42Å; L367-M455 HydrophobicContact CD1-SD 3.97Å
368	I	98.3	Very high	97.8	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-68.2	-39	173.2	-56.4	166.7	0	0	0	110.5	G364 C365 I366 Y370 Y371 L372 V376 L434 V452 L456	G364-I368 WeakPolarHBondContact O-CG1 3.4Å; G364-I368 PolarHBondContact O-N 3.23Å; C365-I368 PolarHBondContact O-N 2.81Å; I366-I368 PolarHBondContact O-N 3.31Å; I368-Y370 VanDerWaalsContact C-N 3.35Å; I368-Y370 PolarHBondContact O-N 3.34Å; I368-Y371 CarbonylContact O-C 3.54Å; I368-Y371 WeakPolarHBondContact O-CA 3.45Å; I368-Y371 WeakPolarHBondContact O-CB 3.37Å; I368-Y371 PolarHBondContact O-N 2.68Å; I368-Y371 VanDerWaalsContact O-N 3.08Å; I368-L372 HydrophobicContact CG2-CD1 3.46Å; I368-L372 VanDerWaalsContact CG2-CD1 3.46Å; I368-L372 HydrophobicContact CG2-CG 3.86Å; I368-L372 WeakPolarHBondContact O-CB 3.32Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.42Å; I368-V376 HydrophobicContact CB-CG2 3.76Å; I368-V376 HydrophobicContact CD1-CG2 4.21Å; I368-V376 HydrophobicContact CG2-CG2 3.24Å; I368-L434 HydrophobicContact CD1-CD1 3.51Å; I368-L434 HydrophobicContact CG1-CD1 4.32Å; I368-V452 HydrophobicContact CD1-CG1 3.49Å; I368-V452 VanDerWaalsContact CD1-CG1 3.49Å; I368-V452 HydrophobicContact CG1-CB 4.5Å; I368-V452 HydrophobicContact CG1-CG1 3.41Å; I368-V452 VanDerWaalsContact CG1-CG1 3.41Å; I368-V452 HydrophobicContact CG1-CG2 4.32Å; I368-L456 HydrophobicContact CD1-CD1 3.61Å
369	E	98.5	Very high	97.6	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-41.5	177.4	-178.7	160.4	158.6	0	0	112	Y343 C365 I366 L367 Y371 L372 G373 T375	Y343-E369 PolarHBondContact OH-OE2 3.26Å; Y343-E369 VanDerWaalsContact OH-OE2 3.07Å; C365-E369 PolarHBondContact O-N 3.01Å; I366-E369 WeakPolarHBondContact O-CB 3.47Å; I366-E369 PolarHBondContact O-N 3.31Å; I366-E369 VanDerWaalsContact O-N 3.15Å; L367-E369 VanDerWaalsContact C-N 3.35Å; E369-Y371 PolarHBondContact O-N 2.74Å; E369-L372 PolarHBondContact O-N 3.08Å; E369-G373 VanDerWaalsContact O-CA 3.28Å; E369-G373 WeakPolarHBondContact O-CA 3.4Å; E369-G373 PolarHBondContact O-N 3.12Å; E369-T375 VanDerWaalsContact CD-OG1 3.31Å; E369-T375 PolarHBondContact OE1-OG1 2.91Å; E369-T375 VanDerWaalsContact OE2-CA 3.26Å; E369-T375 WeakPolarHBondContact OE2-CA 3.45Å; E369-T375 WeakPolarHBondContact OE2-CB 3.42Å; E369-T375 PolarHBondContact OE2-OG1 2.87Å
370	Y	98.8	Very high	97.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-35.2	171.9	-70	-6.8	0	0	0	112.6	T246 I250 P257 F258 M266 I270 P289 I292 I366 L367 I368	T246-Y370 VanDerWaalsContact CB-OH 3.3Å; T246-Y370 WeakPolarHBondContact CB-OH 3.46Å; T246-Y370 HydrophobicContact CG2-CE1 4.44Å; T246-Y370 VanDerWaalsContact CG2-OH 3.31Å; T246-Y370 WeakPolarHBondContact CG2-OH 3.29Å; T246-Y370 WeakPolarHBondContact OG1-CE1 3.35Å; T246-Y370 PolarHBondContact OG1-OH 2.81Å; I250-Y370 HydrophobicContact CD1-CD1 3.85Å; I250-Y370 HydrophobicContact CD1-CE1 4.3Å; P257-Y370 WeakPolarHBondContact CA-O 3.49Å; P257-Y370 WeakPolarHBondContact CB-O 3.34Å; F258-Y370 AromaticContact CD2-CD1 3.93Å; F258-Y370 HydrophobicContact CD2-CD1 3.93Å; F258-Y370 HydrophobicContact CD2-CD2 4.49Å; F258-Y370 AromaticContact CD2-CG 3.86Å; F258-Y370 HydrophobicContact CD2-CG 3.86Å; F258-Y370 AromaticContact CE2-CD1 3.86Å; F258-Y370 HydrophobicContact CE2-CD1 3.86Å; F258-Y370 HydrophobicContact CE2-CE1 4.13Å; F258-Y370 HydrophobicContact CE2-CG 4.21Å; F258-Y370 PolarHBondContact N-O 2.7Å; M266-Y370 HydrophobicContact CB-CE2 4.41Å; M266-Y370 HydrophobicContact CE-CD2 3.95Å; M266-Y370 HydrophobicContact CE-CE2 4.13Å; M266-Y370 HydrophobicContact SD-CE2 4.39Å; I270-Y370 HydrophobicContact CD1-CE2 3.98Å; P289-Y370 HydrophobicContact CB-CE1 4.09Å; P289-Y370 HydrophobicContact CG-CE1 4.26Å; I292-Y370 WeakPolarHBondContact CD1-OH 3.41Å; I366-Y370 HydrophobicContact CG2-CD1 4.25Å; I366-Y370 HydrophobicContact CG2-CD2 4.09Å; I366-Y370 HydrophobicContact CG2-CE1 3.78Å; I366-Y370 HydrophobicContact CG2-CE2 3.57Å; I366-Y370 HydrophobicContact CG2-CG 4.4Å; I366-Y370 PolarHBondContact O-N 3.05Å; L367-Y370 HydrophobicContact CD2-CD2 4.3Å; I368-Y370 VanDerWaalsContact C-N 3.35Å; I368-Y370 PolarHBondContact O-N 3.34Å
371	Y	98.5	Very high	97.1	Very high	9 Å²	9	20 Å²	20	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-75.9	-32.5	-179.5	-175.3	-98.8	0	0	0	113.9	P257 I260 I263 L367 I368 E369 L439 H445 L448 F449	P257-Y371 WeakPolarHBondContact CB-O 3.36Å; I260-Y371 HydrophobicContact CD1-CD2 4.47Å; I260-Y371 HydrophobicContact CD1-CE2 4.48Å; I263-Y371 HydrophobicContact CD1-CD2 3.97Å; I263-Y371 HydrophobicContact CD1-CG 4.49Å; L367-Y371 WeakPolarHBondContact O-CB 3.34Å; L367-Y371 PolarHBondContact O-N 2.81Å; L367-Y371 VanDerWaalsContact O-N 3.1Å; I368-Y371 CarbonylContact O-C 3.54Å; I368-Y371 WeakPolarHBondContact O-CA 3.45Å; I368-Y371 WeakPolarHBondContact O-CB 3.37Å; I368-Y371 PolarHBondContact O-N 2.68Å; I368-Y371 VanDerWaalsContact O-N 3.08Å; E369-Y371 PolarHBondContact O-N 2.74Å; Y371-L439 HydrophobicContact CE1-CB 4.33Å; Y371-L439 HydrophobicContact CE1-CD1 4.11Å; Y371-L439 HydrophobicContact CE1-CG 3.77Å; Y371-L439 WeakPolarHBondContact OH-CA 3.13Å; Y371-L439 VanDerWaalsContact OH-CB 3.26Å; Y371-L439 WeakPolarHBondContact OH-CB 3.29Å; Y371-L439 PolarHBondContact OH-N 3.12Å; Y371-H445 AromaticContact CE2-CE1 3.46Å; Y371-H445 VanDerWaalsContact CE2-CE1 3.46Å; Y371-H445 WeakPolarHBondContact CE2-CE1 3.48Å; Y371-H445 AromaticContact CE2-ND1 3.32Å; Y371-H445 VanDerWaalsContact CE2-ND1 3.32Å; Y371-H445 WeakPolarHBondContact CE2-ND1 3.46Å; Y371-H445 AromaticContact CZ-CE1 3.82Å; Y371-H445 AromaticContact CZ-ND1 3.43Å; Y371-H445 PolarHBondContact OH-CE1 2.8Å; Y371-H445 VanDerWaalsContact OH-CE1 3.25Å; Y371-H445 PolarHBondContact OH-ND1 3.4Å; Y371-L448 HydrophobicContact CD2-CD2 3.59Å; Y371-L448 HydrophobicContact CE2-CD2 4.25Å; Y371-L448 HydrophobicContact CG-CD2 4.12Å; Y371-F449 AromaticContact CD1-CE2 3.64Å; Y371-F449 HydrophobicContact CD1-CE2 3.64Å; Y371-F449 AromaticContact CD1-CZ 3.73Å; Y371-F449 HydrophobicContact CD1-CZ 3.73Å; Y371-F449 HydrophobicContact CD2-CE2 4.45Å; Y371-F449 AromaticContact CE1-CE2 3.48Å; Y371-F449 HydrophobicContact CE1-CE2 3.48Å; Y371-F449 VanDerWaalsContact CE1-CE2 3.48Å; Y371-F449 AromaticContact CE1-CZ 3.68Å; Y371-F449 HydrophobicContact CE1-CZ 3.68Å; Y371-F449 HydrophobicContact CE2-CE2 4.33Å; Y371-F449 HydrophobicContact CG-CE2 4.15Å; Y371-F449 AromaticContact CZ-CE2 3.86Å
372	L	97.3	Very high	97	Very high	19 Å²	19	21.2 Å²	21.2	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-104.2	-23.8	-175.8	-63.4	-177.9	0	0	0	114	I368 E369 F374 V376 F437	I368-L372 HydrophobicContact CG2-CD1 3.46Å; I368-L372 VanDerWaalsContact CG2-CD1 3.46Å; I368-L372 HydrophobicContact CG2-CG 3.86Å; I368-L372 WeakPolarHBondContact O-CB 3.32Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.42Å; E369-L372 PolarHBondContact O-N 3.08Å; L372-F374 VanDerWaalsContact C-N 3.31Å; L372-F374 HydrophobicContact CB-CD1 3.9Å; L372-F374 HydrophobicContact CB-CE1 3.68Å; L372-F374 HydrophobicContact CB-CE2 4.45Å; L372-F374 HydrophobicContact CB-CG 4.39Å; L372-F374 HydrophobicContact CB-CZ 3.98Å; L372-F374 HydrophobicContact CD1-CE1 4.28Å; L372-F374 HydrophobicContact CD1-CE2 3.94Å; L372-F374 HydrophobicContact CD1-CZ 3.7Å; L372-F374 HydrophobicContact CG-CE1 4.45Å; L372-F374 HydrophobicContact CG-CZ 4.34Å; L372-F374 WeakPolarHBondContact O-CD1 3.5Å; L372-V376 HydrophobicContact CD1-CG2 4.23Å; L372-F437 HydrophobicContact CD1-CB 4.15Å; L372-F437 HydrophobicContact CD1-CD1 3.6Å; L372-F437 HydrophobicContact CD1-CE1 4.24Å; L372-F437 HydrophobicContact CD1-CG 4.04Å; L372-F437 HydrophobicContact CD2-CB 4.33Å
373	G	96.8	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	81.2	6	-171.6	0	0	0	0	0	114.1	E369	E369-G373 VanDerWaalsContact O-CA 3.28Å; E369-G373 WeakPolarHBondContact O-CA 3.4Å; E369-G373 PolarHBondContact O-N 3.12Å
374	F	95.5	Very high	96.9	Very high	105 Å²	105	24.6 Å²	24.6	46%	0.461	12%	0.122	S	C	.	.	S	Bend	trans	-148	153.5	178.4	63.9	-96.1	0	0	0	112.5	L372	L372-F374 VanDerWaalsContact C-N 3.31Å; L372-F374 HydrophobicContact CB-CD1 3.9Å; L372-F374 HydrophobicContact CB-CE1 3.68Å; L372-F374 HydrophobicContact CB-CE2 4.45Å; L372-F374 HydrophobicContact CB-CG 4.39Å; L372-F374 HydrophobicContact CB-CZ 3.98Å; L372-F374 HydrophobicContact CD1-CE1 4.28Å; L372-F374 HydrophobicContact CD1-CE2 3.94Å; L372-F374 HydrophobicContact CD1-CZ 3.7Å; L372-F374 HydrophobicContact CG-CE1 4.45Å; L372-F374 HydrophobicContact CG-CZ 4.34Å; L372-F374 WeakPolarHBondContact O-CD1 3.5Å
375	T	96.2	Very high	96.8	Very high	26 Å²	26	24.7 Å²	24.7	16%	0.16	12%	0.122	C	C	.	.			trans	-67.7	129.5	178	-50.2	0	0	0	0	112.5	H342 E369	H342-T375 HydrophobicContact CB-CG2 3.56Å; E369-T375 VanDerWaalsContact CD-OG1 3.31Å; E369-T375 PolarHBondContact OE1-OG1 2.91Å; E369-T375 VanDerWaalsContact OE2-CA 3.26Å; E369-T375 WeakPolarHBondContact OE2-CA 3.45Å; E369-T375 WeakPolarHBondContact OE2-CB 3.42Å; E369-T375 PolarHBondContact OE2-OG1 2.87Å
376	V	93.1	Very high	96.8	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.079	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-43.8	-177.6	179.4	0	0	0	0	112.3	I368 L372 Q378 M388 I392	I368-V376 HydrophobicContact CB-CG2 3.76Å; I368-V376 HydrophobicContact CD1-CG2 4.21Å; I368-V376 HydrophobicContact CG2-CG2 3.24Å; L372-V376 HydrophobicContact CD1-CG2 4.23Å; V376-Q378 PolarHBondContact O-N 3.45Å; V376-M388 VanDerWaalsContact O-CE 3.24Å; V376-M388 WeakPolarHBondContact O-CE 3.33Å; V376-I392 HydrophobicContact CG1-CD1 3.26Å
377	F	96.9	Very high	96.8	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	57.8	-178.8	-59.3	-61.1	0	0	0	111.9	H342 W361 T379 H385 M388 M389 I392 L393	H342-F377 PolarHBondContact CD2-O 3.14Å; W361-F377 HydrophobicContact CZ2-CE2 4.08Å; W361-F377 HydrophobicContact CZ2-CZ 4.31Å; F377-T379 PolarHBondContact O-N 2.66Å; F377-H385 WeakPolarHBondContact CB-NE2 3.45Å; F377-H385 AromaticContact CD1-CD2 3.88Å; F377-H385 AromaticContact CD1-NE2 3.9Å; F377-H385 AromaticContact CD2-NE2 3.76Å; F377-H385 AromaticContact CG-CD2 3.8Å; F377-H385 AromaticContact CG-NE2 3.37Å; F377-H385 WeakPolarHBondContact CG-NE2 3.24Å; F377-M388 HydrophobicContact CD1-CB 3.89Å; F377-M388 HydrophobicContact CE1-CB 4.35Å; F377-M389 HydrophobicContact CD1-CG 4.32Å; F377-M389 HydrophobicContact CE1-CB 4.32Å; F377-M389 HydrophobicContact CE1-CG 3.79Å; F377-M389 HydrophobicContact CZ-CG 4.02Å; F377-I392 HydrophobicContact CD1-CD1 4.27Å; F377-I392 HydrophobicContact CE1-CD1 3.75Å; F377-I392 HydrophobicContact CZ-CD1 4.43Å; F377-L393 HydrophobicContact CZ-CD1 4.33Å
378	Q	94.6	Very high	96.8	Very high	77 Å²	77	24.8 Å²	24.8	36%	0.36	12%	0.123	S	C	.	.			trans	-75	89.8	179.5	-170.8	176.1	42.6	0	0	111.6	V376 Y426	V376-Q378 PolarHBondContact O-N 3.45Å; Q378-Y426 PolarHBondContact O-OH 2.98Å; Q378-Y426 VanDerWaalsContact O-OH 3.14Å
379	T	94.9	Very high	96.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.122	C	C	.	.			trans	-154.4	154.6	-179.6	-179.7	0	0	0	0	111.6	R341 F377 D381 E384 H385 M388	R341-T379 WeakPolarHBondContact CD-O 3.46Å; F377-T379 PolarHBondContact O-N 2.66Å; T379-D381 PolarHBondContact OG1-N 3.14Å; T379-D381 VanDerWaalsContact OG1-N 3.12Å; T379-D381 PolarHBondContact OG1-O 2.9Å; T379-E384 WeakPolarHBondContact CB-OE1 3.45Å; T379-E384 PolarHBondContact OG1-OE1 2.55Å; T379-H385 HydrophobicContact CG2-CB 3.53Å; T379-M388 HydrophobicContact CG2-SD 3.82Å
380	H	91.4	Very high	96.8	Very high	80 Å²	80	26.9 Å²	26.9	37%	0.37	13%	0.133	S	C	.	.	S	Bend	trans	-112.5	9.3	172.3	-52.6	-78.5	0	0	0	113.2	D69 R341	D69-H380 VanDerWaalsContact CG-ND1 3.31Å; D69-H380 IonicContact OD1-ND1 3.38Å; D69-H380 PolarHBondContact OD1-ND1 3.21Å; D69-H380 IonicContact OD2-CE1 3.43Å; D69-H380 PolarHBondContact OD2-CE1 3.25Å; D69-H380 IonicContact OD2-ND1 2.82Å; D69-H380 PolarHBondContact OD2-ND1 3.22Å; R341-H380 VanDerWaalsContact CD-CA 3.45Å; R341-H380 PolarHBondContact NH1-O 3.48Å; R341-H380 PolarHBondContact NH2-O 3.07Å; R341-H380 VanDerWaalsContact NH2-O 3.16Å
381	D	95.9	Very high	96.8	Very high	75 Å²	75	31.5 Å²	31.5	40%	0.401	15%	0.15	S	C	.	.			trans	-120.9	141.4	178.2	179.3	-102.8	0	0	0	112.2	R341 T379 K383 E384 H385	R341-D381 VanDerWaalsContact NH1-C 3.27Å; T379-D381 PolarHBondContact OG1-N 3.14Å; T379-D381 VanDerWaalsContact OG1-N 3.12Å; T379-D381 PolarHBondContact OG1-O 2.9Å; D381-K383 WeakPolarHBondContact OD1-CA 3.46Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 2.84Å; D381-E384 HydrophobicContact CB-CB 3.94Å; D381-E384 PolarHBondContact OD1-N 2.71Å; D381-H385 WeakPolarHBondContact O-CB 3.32Å; D381-H385 PolarHBondContact O-N 3.14Å
382	S	96.8	Very high	96.8	Very high	25 Å²	25	31.3 Å²	31.3	18%	0.175	15%	0.15	C	C	.	.	H	α-helix	trans	-74	-34.9	-175.7	-59.6	0	0	0	0	112.9	L386	S382-L386 WeakPolarHBondContact O-CG 2.9Å; S382-L386 PolarHBondContact O-N 3.33Å
383	K	97.3	Very high	96.8	Very high	40 Å²	40	32.6 Å²	32.6	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-75.6	-39.7	179.9	-163.9	178.5	-175.8	179.7	0	110.2	D381 H385 L386 A387 Y409 L415 D416 W417	D381-K383 WeakPolarHBondContact OD1-CA 3.46Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 2.84Å; K383-H385 VanDerWaalsContact C-N 3.35Å; K383-L386 PolarHBondContact O-N 3.38Å; K383-A387 PolarHBondContact O-N 2.96Å; K383-Y409 HydrophobicContact CB-CD1 4.06Å; K383-Y409 HydrophobicContact CB-CE1 4.24Å; K383-Y409 HydrophobicContact CD-CD1 4.1Å; K383-Y409 HydrophobicContact CG-CD1 4.08Å; K383-Y409 HydrophobicContact CG-CG 4.42Å; K383-L415 HydrophobicContact CG-CD1 4.32Å; K383-D416 WeakPolarHBondContact CE-O 3.4Å; K383-D416 PolarHBondContact NZ-O 3.45Å; K383-D416 IonicContact NZ-OD2 2.69Å; K383-D416 PolarHBondContact NZ-OD2 3.15Å; K383-W417 HydrophobicContact CG-CE3 4.14Å; K383-W417 HydrophobicContact CG-CZ3 4.41Å
384	E	98	Very high	96.9	Very high	31 Å²	31	33.7 Å²	33.7	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-43.7	170.2	-172.8	174.3	90.7	0	0	111.6	T379 D381 L386 A387 M388 W417 A423 V427	T379-E384 WeakPolarHBondContact CB-OE1 3.45Å; T379-E384 PolarHBondContact OG1-OE1 2.55Å; D381-E384 HydrophobicContact CB-CB 3.94Å; D381-E384 PolarHBondContact OD1-N 2.71Å; E384-L386 PolarHBondContact O-N 3.12Å; E384-A387 WeakPolarHBondContact O-CB 3.38Å; E384-A387 PolarHBondContact O-N 3.4Å; E384-A387 VanDerWaalsContact O-N 3.09Å; E384-M388 HydrophobicContact CG-SD 4.46Å; E384-M388 WeakPolarHBondContact O-CG 3.45Å; E384-M388 PolarHBondContact O-N 3.42Å; E384-W417 HydrophobicContact CB-CH2 3.6Å; E384-W417 HydrophobicContact CB-CZ3 4.01Å; E384-W417 HydrophobicContact CG-CH2 3.73Å; E384-W417 HydrophobicContact CG-CZ2 4.25Å; E384-A423 WeakPolarHBondContact OE2-CB 3.4Å; E384-V427 HydrophobicContact CG-CG2 3.75Å
385	H	98.4	Very high	97	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-46.5	176.4	-161.3	173	0	0	0	111.8	R341 I349 F377 T379 D381 K383 A387 M388 M389	R341-H385 PolarHBondContact O-CE1 2.71Å; R341-H385 PolarHBondContact O-ND1 2.97Å; I349-H385 HydrophobicContact CD1-CB 4.23Å; I349-H385 WeakPolarHBondContact CD1-ND1 3.39Å; F377-H385 WeakPolarHBondContact CB-NE2 3.45Å; F377-H385 AromaticContact CD1-CD2 3.88Å; F377-H385 AromaticContact CD1-NE2 3.9Å; F377-H385 AromaticContact CD2-NE2 3.76Å; F377-H385 AromaticContact CG-CD2 3.8Å; F377-H385 AromaticContact CG-NE2 3.37Å; F377-H385 WeakPolarHBondContact CG-NE2 3.24Å; T379-H385 HydrophobicContact CG2-CB 3.53Å; D381-H385 WeakPolarHBondContact O-CB 3.32Å; D381-H385 PolarHBondContact O-N 3.14Å; K383-H385 VanDerWaalsContact C-N 3.35Å; H385-A387 VanDerWaalsContact C-N 3.3Å; H385-A387 PolarHBondContact O-N 2.95Å; H385-M388 WeakPolarHBondContact O-CB 3.46Å; H385-M388 PolarHBondContact O-N 3.43Å; H385-M389 WeakPolarHBondContact NE2-CE 3.42Å; H385-M389 WeakPolarHBondContact O-CG 3.39Å; H385-M389 PolarHBondContact O-N 3.18Å
386	L	98.5	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-38.3	175.2	-66.7	172	0	0	0	112.1	I349 L350 S382 K383 E384 M389 E390 I396 Y409 F410 L415	I349-L386 HydrophobicContact CB-CD2 4.43Å; I349-L386 HydrophobicContact CG2-CD1 4.1Å; I349-L386 HydrophobicContact CG2-CD2 4.04Å; I349-L386 HydrophobicContact CG2-CG 4Å; L350-L386 HydrophobicContact CD2-CD1 3.88Å; L350-L386 HydrophobicContact CD2-CD2 4.26Å; L350-L386 HydrophobicContact CG-CD2 4.37Å; S382-L386 WeakPolarHBondContact O-CG 2.9Å; S382-L386 PolarHBondContact O-N 3.33Å; K383-L386 PolarHBondContact O-N 3.38Å; E384-L386 PolarHBondContact O-N 3.12Å; L386-M389 HydrophobicContact CD2-SD 4.2Å; L386-M389 WeakPolarHBondContact O-CB 3.33Å; L386-M389 PolarHBondContact O-N 3.06Å; L386-E390 PolarHBondContact O-N 3.38Å; L386-I396 HydrophobicContact CB-CD1 4.15Å; L386-I396 HydrophobicContact CD2-CD1 3.91Å; L386-I396 HydrophobicContact CG-CD1 4.48Å; L386-Y409 HydrophobicContact CD1-CD2 3.9Å; L386-F410 HydrophobicContact CD1-CZ 4.14Å; L386-L415 HydrophobicContact CB-CD1 3.92Å; L386-L415 HydrophobicContact CB-CD2 4.12Å; L386-L415 HydrophobicContact CD1-CD1 4.14Å
387	A	98.4	Very high	97.3	Very high	7 Å²	7	34 Å²	34	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-38.2	176.1	0	0	0	0	0	112.6	K383 E384 H385 E390 R391 L415 W417 V427	K383-A387 PolarHBondContact O-N 2.96Å; E384-A387 WeakPolarHBondContact O-CB 3.38Å; E384-A387 PolarHBondContact O-N 3.4Å; E384-A387 VanDerWaalsContact O-N 3.09Å; H385-A387 VanDerWaalsContact C-N 3.3Å; H385-A387 PolarHBondContact O-N 2.95Å; A387-E390 PolarHBondContact O-N 3.47Å; A387-R391 WeakPolarHBondContact O-CB 3.42Å; A387-R391 PolarHBondContact O-N 3.5Å; A387-R391 VanDerWaalsContact O-N 3.11Å; A387-L415 VanDerWaalsContact CA-CD2 3.46Å; A387-L415 HydrophobicContact CB-CD2 3.66Å; A387-W417 HydrophobicContact CB-CB 4.49Å; A387-W417 HydrophobicContact CB-CD2 3.48Å; A387-W417 VanDerWaalsContact CB-CD2 3.48Å; A387-W417 VanDerWaalsContact CB-CE2 3.5Å; A387-W417 HydrophobicContact CB-CE3 3.98Å; A387-W417 HydrophobicContact CB-CG 3.71Å; A387-W417 HydrophobicContact CB-CH2 4.46Å; A387-W417 HydrophobicContact CB-CZ2 4.02Å; A387-W417 HydrophobicContact CB-CZ3 4.44Å; A387-V427 HydrophobicContact CB-CG1 4.5Å
388	M	98.6	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-45.2	172.5	-65.2	177.2	80.2	0	0	110.8	V376 F377 T379 E384 H385 E390 R391 I392 V427 C431	V376-M388 VanDerWaalsContact O-CE 3.24Å; V376-M388 WeakPolarHBondContact O-CE 3.33Å; F377-M388 HydrophobicContact CD1-CB 3.89Å; F377-M388 HydrophobicContact CE1-CB 4.35Å; T379-M388 HydrophobicContact CG2-SD 3.82Å; E384-M388 HydrophobicContact CG-SD 4.46Å; E384-M388 WeakPolarHBondContact O-CG 3.45Å; E384-M388 PolarHBondContact O-N 3.42Å; H385-M388 WeakPolarHBondContact O-CB 3.46Å; H385-M388 PolarHBondContact O-N 3.43Å; M388-E390 PolarHBondContact O-N 2.92Å; M388-R391 PolarHBondContact O-N 2.69Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.39Å; M388-I392 PolarHBondContact O-N 3.36Å; M388-I392 VanDerWaalsContact O-N 3.12Å; M388-V427 HydrophobicContact CG-CB 4.47Å; M388-V427 HydrophobicContact CG-CG1 4.07Å; M388-V427 HydrophobicContact CG-CG2 3.77Å; M388-C431 WeakPolarHBondContact CE-SG 3.34Å
389	M	98.7	Very high	97.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-51.8	174.7	-66.2	179.3	-178.4	0	0	110.4	R344 P346 I349 W361 F377 H385 L386 R391 I392 L393 Y458	R344-M389 WeakPolarHBondContact O-CE 3.19Å; P346-M389 HydrophobicContact CB-SD 3.98Å; I349-M389 HydrophobicContact CD1-CE 3.52Å; W361-M389 HydrophobicContact CH2-CE 4.39Å; W361-M389 HydrophobicContact CH2-CG 4.43Å; W361-M389 HydrophobicContact CH2-SD 4.09Å; W361-M389 HydrophobicContact CZ2-CE 3.6Å; W361-M389 HydrophobicContact CZ2-CG 4.17Å; W361-M389 HydrophobicContact CZ2-SD 3.86Å; F377-M389 HydrophobicContact CD1-CG 4.32Å; F377-M389 HydrophobicContact CE1-CB 4.32Å; F377-M389 HydrophobicContact CE1-CG 3.79Å; F377-M389 HydrophobicContact CZ-CG 4.02Å; H385-M389 WeakPolarHBondContact NE2-CE 3.42Å; H385-M389 WeakPolarHBondContact O-CG 3.39Å; H385-M389 PolarHBondContact O-N 3.18Å; L386-M389 HydrophobicContact CD2-SD 4.2Å; L386-M389 WeakPolarHBondContact O-CB 3.33Å; L386-M389 PolarHBondContact O-N 3.06Å; M389-R391 PolarHBondContact O-N 3.38Å; M389-I392 PolarHBondContact O-N 3.11Å; M389-L393 WeakPolarHBondContact O-CB 3.38Å; M389-L393 PolarHBondContact O-N 3.07Å; M389-Y458 HydrophobicContact CB-CE1 3.93Å; M389-Y458 VanDerWaalsContact CB-OH 3.3Å; M389-Y458 WeakPolarHBondContact CB-OH 3.37Å; M389-Y458 PolarHBondContact O-OH 3.07Å; M389-Y458 VanDerWaalsContact O-OH 3.06Å; M389-Y458 HydrophobicContact SD-CE1 4.19Å
390	E	98.5	Very high	97.7	Very high	51 Å²	51	39.8 Å²	39.8	24%	0.238	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-36.6	-177.5	-77.4	-165.6	152.3	0	0	112.9	L386 A387 M388 G394 I396 L415 Y458	L386-E390 PolarHBondContact O-N 3.38Å; A387-E390 PolarHBondContact O-N 3.47Å; M388-E390 PolarHBondContact O-N 2.92Å; E390-G394 VanDerWaalsContact CA-O 3.25Å; E390-G394 WeakPolarHBondContact CA-O 3.44Å; E390-G394 CarbonylContact O-C 3.45Å; E390-G394 VanDerWaalsContact O-CA 3.22Å; E390-G394 WeakPolarHBondContact O-CA 3.48Å; E390-G394 PolarHBondContact O-N 2.67Å; E390-I396 HydrophobicContact CG-CD1 3.88Å; E390-I396 HydrophobicContact CG-CG1 3.73Å; E390-I396 PolarHBondContact OE1-N 2.81Å; E390-L415 WeakPolarHBondContact OE2-CB 3.34Å; E390-Y458 WeakPolarHBondContact CA-OH 3.46Å; E390-Y458 PolarHBondContact N-OH 2.96Å; E390-Y458 VanDerWaalsContact N-OH 3.15Å
391	R	98	Very high	98	Very high	97 Å²	97	36.1 Å²	36.1	37%	0.366	19%	0.191	S	C	.	.	H	α-helix	trans	-71.5	-29.1	178.6	-176.3	159.8	175.8	81.3	6.6	113.6	A387 M388 M389 V427 R428 C431	A387-R391 WeakPolarHBondContact O-CB 3.42Å; A387-R391 PolarHBondContact O-N 3.5Å; A387-R391 VanDerWaalsContact O-N 3.11Å; M388-R391 PolarHBondContact O-N 2.69Å; M389-R391 PolarHBondContact O-N 3.38Å; R391-V427 HydrophobicContact CB-CG1 4.42Å; R391-R428 PolarHBondContact NE-O 3.42Å; R391-R428 PolarHBondContact NH2-O 3.21Å; R391-C431 HydrophobicContact CB-CB 4.09Å; R391-C431 HydrophobicContact CG-CB 3.79Å; R391-C431 PolarHBondContact NE-O 3.37Å; R391-C431 PolarHBondContact NH2-O 2.65Å
392	I	98.4	Very high	98	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-91.7	-40.5	-177	-63.8	-178.5	0	0	0	111.3	V376 F377 M388 M389 C431 K432 P433 L434 F437	V376-I392 HydrophobicContact CG1-CD1 3.26Å; F377-I392 HydrophobicContact CD1-CD1 4.27Å; F377-I392 HydrophobicContact CE1-CD1 3.75Å; F377-I392 HydrophobicContact CZ-CD1 4.43Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.39Å; M388-I392 PolarHBondContact O-N 3.36Å; M388-I392 VanDerWaalsContact O-N 3.12Å; M389-I392 PolarHBondContact O-N 3.11Å; I392-C431 HydrophobicContact CD1-CB 4.05Å; I392-C431 HydrophobicContact CG1-CB 3.81Å; I392-K432 WeakPolarHBondContact CG1-O 3.39Å; I392-P433 WeakPolarHBondContact O-CA 3.37Å; I392-L434 HydrophobicContact CG2-CB 3.98Å; I392-L434 HydrophobicContact CG2-CD1 4.37Å; I392-L434 PolarHBondContact O-N 3.22Å; I392-F437 HydrophobicContact CD1-CE2 4.14Å; I392-F437 HydrophobicContact CD1-CZ 4.45Å; I392-F437 HydrophobicContact CG1-CE2 4.32Å; I392-F437 HydrophobicContact CG2-CE2 4.36Å
393	L	98.5	Very high	98	Very high	45 Å²	45	43 Å²	43	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-111.3	-12	-167.8	-57.1	172.6	0	0	0	113.3	W361 F377 M389 L434 L456 Y458	W361-L393 HydrophobicContact CH2-CD1 3.41Å; W361-L393 VanDerWaalsContact CH2-CD1 3.41Å; W361-L393 HydrophobicContact CZ2-CD1 4.2Å; W361-L393 HydrophobicContact CZ3-CD1 4.1Å; F377-L393 HydrophobicContact CZ-CD1 4.33Å; M389-L393 WeakPolarHBondContact O-CB 3.38Å; M389-L393 PolarHBondContact O-N 3.07Å; L393-L434 HydrophobicContact CD2-CB 4.34Å; L393-L434 HydrophobicContact CD2-CD2 4.07Å; L393-L456 HydrophobicContact CD1-CB 4.05Å; L393-L456 HydrophobicContact CD2-CB 3.96Å; L393-L456 HydrophobicContact CD2-CD1 4.12Å; L393-Y458 HydrophobicContact CB-CE2 3.78Å
394	G	97.9	Very high	98	Very high	25 Å²	25	41.1 Å²	41.1	26%	0.258	21%	0.208	S	C	.	.			trans	94.6	-177.8	-172.7	0	0	0	0	0	112.5	E390 Y458	E390-G394 VanDerWaalsContact CA-O 3.25Å; E390-G394 WeakPolarHBondContact CA-O 3.44Å; E390-G394 CarbonylContact O-C 3.45Å; E390-G394 VanDerWaalsContact O-CA 3.22Å; E390-G394 WeakPolarHBondContact O-CA 3.48Å; E390-G394 PolarHBondContact O-N 2.67Å; G394-Y458 VanDerWaalsContact O-CE2 3.31Å; G394-Y458 WeakPolarHBondContact O-CE2 3.43Å; G394-Y458 PolarHBondContact O-OH 2.78Å; G394-Y458 VanDerWaalsContact O-OH 3.04Å
395	P	97.9	Very high	97.8	Very high	111 Å²	111	50.3 Å²	50.3	72%	0.721	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-64.2	143.4	-169.3	26.8	-35.3	0	0	0	113.2
396	I	98.4	Very high	97.6	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-65.1	135.5	173.9	-64	160	0	0	0	109.3	L350 L386 E390 Q398 M400 I401 F410 Y458	L350-I396 HydrophobicContact CD1-CG2 4.32Å; L386-I396 HydrophobicContact CB-CD1 4.15Å; L386-I396 HydrophobicContact CD2-CD1 3.91Å; L386-I396 HydrophobicContact CG-CD1 4.48Å; E390-I396 HydrophobicContact CG-CD1 3.88Å; E390-I396 HydrophobicContact CG-CG1 3.73Å; E390-I396 PolarHBondContact OE1-N 2.81Å; I396-Q398 PolarHBondContact O-N 3.4Å; I396-M400 HydrophobicContact CG2-CB 4.32Å; I396-I401 HydrophobicContact CB-CD1 4.16Å; I396-I401 HydrophobicContact CB-CG1 4.26Å; I396-I401 HydrophobicContact CG2-CD1 4.25Å; I396-I401 HydrophobicContact CG2-CG1 3.81Å; I396-F410 HydrophobicContact CD1-CE1 4.27Å; I396-F410 HydrophobicContact CD1-CZ 4.37Å; I396-Y458 HydrophobicContact CG1-CD1 4.22Å; I396-Y458 HydrophobicContact CG1-CE1 3.68Å
397	P	98.3	Very high	97.4	Very high	33 Å²	33	60.3 Å²	60.3	21%	0.214	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.1	129.4	178.6	-27.3	34.5	0	0	0	112.8	H399 M400 I401 Y458	P397-H399 PolarHBondContact O-N 2.72Å; P397-H399 VanDerWaalsContact O-N 3.11Å; P397-M400 HydrophobicContact CB-CG 4.25Å; P397-M400 HydrophobicContact CB-SD 4.34Å; P397-M400 HydrophobicContact CG-SD 4.08Å; P397-M400 WeakPolarHBondContact O-CB 3.45Å; P397-M400 PolarHBondContact O-N 2.82Å; P397-I401 PolarHBondContact O-N 3.22Å; P397-Y458 VanDerWaalsContact CD-CB 3.43Å; P397-Y458 HydrophobicContact CG-CG 4.43Å
398	Q	97.5	Very high	97.2	Very high	127 Å²	127	67.6 Å²	67.6	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-55.5	-36	-176.6	-71	-173.2	-2	0	0	112.9	I396 M400 I401 Q402	I396-Q398 PolarHBondContact O-N 3.4Å; Q398-M400 VanDerWaalsContact C-N 3.26Å; Q398-M400 PolarHBondContact O-N 2.8Å; Q398-I401 PolarHBondContact O-N 3.03Å; Q398-Q402 WeakPolarHBondContact O-CB 3.46Å; Q398-Q402 WeakPolarHBondContact O-CG 3.33Å; Q398-Q402 PolarHBondContact O-N 3.05Å
399	H	97.8	Very high	97.1	Very high	70 Å²	70	68.8 Å²	68.8	32%	0.324	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-30.9	-179.9	78.6	-98.3	0	0	0	112.3	P397 K403 D459	P397-H399 PolarHBondContact O-N 2.72Å; P397-H399 VanDerWaalsContact O-N 3.11Å; H399-K403 WeakPolarHBondContact O-CB 3.19Å; H399-K403 VanDerWaalsContact O-CG 3.26Å; H399-K403 WeakPolarHBondContact O-CG 3.41Å; H399-K403 PolarHBondContact O-N 3.19Å; H399-K403 VanDerWaalsContact O-N 3.15Å; H399-D459 IonicContact CE1-OD2 3.31Å; H399-D459 PolarHBondContact CE1-OD2 3.4Å; H399-D459 IonicContact NE2-OD2 3.78Å; H399-D459 PolarHBondContact NE2-OD2 2.79Å
400	M	98.3	Very high	97.1	Very high	4 Å²	4	70 Å²	70	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-72.1	-44.6	174.9	-65	-178.8	77.2	0	0	110.5	P346 E347 L350 L352 I396 P397 Q398 Q402 K403 T404 Y458	P346-M400 HydrophobicContact CB-CE 4.46Å; E347-M400 HydrophobicContact CB-CE 4.25Å; L350-M400 HydrophobicContact CD1-CB 4.26Å; L350-M400 HydrophobicContact CD1-CE 4.18Å; L352-M400 HydrophobicContact CD1-CB 3.81Å; L352-M400 HydrophobicContact CD1-CE 3.67Å; L352-M400 HydrophobicContact CD1-CG 4.1Å; I396-M400 HydrophobicContact CG2-CB 4.32Å; P397-M400 HydrophobicContact CB-CG 4.25Å; P397-M400 HydrophobicContact CB-SD 4.34Å; P397-M400 HydrophobicContact CG-SD 4.08Å; P397-M400 WeakPolarHBondContact O-CB 3.45Å; P397-M400 PolarHBondContact O-N 2.82Å; Q398-M400 VanDerWaalsContact C-N 3.26Å; Q398-M400 PolarHBondContact O-N 2.8Å; M400-Q402 PolarHBondContact O-N 2.98Å; M400-K403 PolarHBondContact O-N 3.16Å; M400-K403 VanDerWaalsContact O-N 3.13Å; M400-T404 PolarHBondContact O-N 2.85Å; M400-Y458 WeakPolarHBondContact CE-O 3.46Å
401	I	97.9	Very high	96.9	Very high	3 Å²	3	73.1 Å²	73.1	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-38.1	174.5	-57.6	176.6	0	0	0	110.8	I396 P397 Q398 T404 R407 F410 N413	I396-I401 HydrophobicContact CB-CD1 4.16Å; I396-I401 HydrophobicContact CB-CG1 4.26Å; I396-I401 HydrophobicContact CG2-CD1 4.25Å; I396-I401 HydrophobicContact CG2-CG1 3.81Å; P397-I401 PolarHBondContact O-N 3.22Å; Q398-I401 PolarHBondContact O-N 3.03Å; I401-T404 VanDerWaalsContact O-CG2 3.28Å; I401-T404 WeakPolarHBondContact O-CG2 3.43Å; I401-R407 PolarHBondContact O-NH1 2.73Å; I401-F410 HydrophobicContact CB-CD1 4.4Å; I401-F410 HydrophobicContact CB-CE1 4.41Å; I401-F410 HydrophobicContact CD1-CD1 4.01Å; I401-F410 HydrophobicContact CD1-CE1 3.85Å; I401-F410 HydrophobicContact CG1-CD1 4.04Å; I401-F410 HydrophobicContact CG1-CE1 3.69Å; I401-F410 HydrophobicContact CG1-CZ 4.1Å; I401-F410 HydrophobicContact CG2-CB 3.95Å; I401-F410 HydrophobicContact CG2-CD1 3.56Å; I401-F410 HydrophobicContact CG2-CD2 4.05Å; I401-F410 HydrophobicContact CG2-CE1 4.03Å; I401-F410 HydrophobicContact CG2-CE2 4.47Å; I401-F410 HydrophobicContact CG2-CG 3.57Å; I401-F410 HydrophobicContact CG2-CZ 4.46Å; I401-N413 WeakPolarHBondContact CD1-O 3.25Å
402	Q	96.4	Very high	96.7	Very high	92 Å²	92	75.7 Å²	75.7	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-24.2	179	-74.3	172.2	9.6	0	0	113.4	Q398 M400 R407	Q398-Q402 WeakPolarHBondContact O-CB 3.46Å; Q398-Q402 WeakPolarHBondContact O-CG 3.33Å; Q398-Q402 PolarHBondContact O-N 3.05Å; M400-Q402 PolarHBondContact O-N 2.98Å; Q402-R407 PolarHBondContact O-NH1 3.43Å; Q402-R407 VanDerWaalsContact O-NH1 3.07Å; Q402-R407 PolarHBondContact O-NH2 3.39Å
403	K	96.9	Very high	96.4	Very high	153 Å²	153	78.9 Å²	78.9	67%	0.665	37%	0.369	S	S	*	.	H	α-helix	trans	-93.6	-22.6	179.4	-73.1	174.4	-178	179.5	0	113.6	L352 H399 M400	L352-K403 HydrophobicContact CD2-CB 3.66Å; H399-K403 WeakPolarHBondContact O-CB 3.19Å; H399-K403 VanDerWaalsContact O-CG 3.26Å; H399-K403 WeakPolarHBondContact O-CG 3.41Å; H399-K403 PolarHBondContact O-N 3.19Å; H399-K403 VanDerWaalsContact O-N 3.15Å; M400-K403 PolarHBondContact O-N 3.16Å; M400-K403 VanDerWaalsContact O-N 3.13Å
404	T	96.6	Very high	96.2	Very high	1 Å²	1	83.5 Å²	83.5	1%	0.006	39%	0.389	C	S	.	.			trans	-66	144.1	-173.2	-179.1	0	0	0	0	113.4	L350 M400 I401 K406 R407 F410	L350-T404 HydrophobicContact CD2-CG2 4.28Å; L350-T404 WeakPolarHBondContact O-CB 3.46Å; L350-T404 PolarHBondContact O-OG1 3.45Å; M400-T404 PolarHBondContact O-N 2.85Å; I401-T404 VanDerWaalsContact O-CG2 3.28Å; I401-T404 WeakPolarHBondContact O-CG2 3.43Å; T404-K406 VanDerWaalsContact C-N 3.28Å; T404-K406 WeakPolarHBondContact OG1-CB 3.49Å; T404-K406 PolarHBondContact OG1-N 2.86Å; T404-R407 WeakPolarHBondContact O-CD 3.37Å; T404-R407 PolarHBondContact O-NE 3.2Å; T404-R407 VanDerWaalsContact O-NE 3.1Å; T404-F410 HydrophobicContact CG2-CD2 4.18Å; T404-F410 HydrophobicContact CG2-CE2 3.92Å
405	R	93.7	Very high	96.2	Very high	224 Å²	224	83.2 Å²	83.2	85%	0.845	38%	0.381	S	S	*	.	S	Bend	trans	-76.7	-15.1	168.1	-62	-177.7	-178.6	-176.4	1.5	112.5	R407	R405-R407 PolarHBondContact O-N 2.84Å
406	K	94.4	Very high	96.1	Very high	80 Å²	80	81.9 Å²	81.9	35%	0.348	37%	0.368	S	S	.	.			trans	-83.3	46.8	-178.1	-57.1	-69.5	-174	175.8	0	112.4	T404 K408 Y409	T404-K406 VanDerWaalsContact C-N 3.28Å; T404-K406 WeakPolarHBondContact OG1-CB 3.49Å; T404-K406 PolarHBondContact OG1-N 2.86Å; K406-K408 PolarHBondContact O-N 2.69Å; K406-Y409 HydrophobicContact CB-CD2 3.62Å; K406-Y409 HydrophobicContact CB-CE2 3.76Å; K406-Y409 HydrophobicContact CB-CG 4.44Å; K406-Y409 HydrophobicContact CD-CE2 4.15Å; K406-Y409 HydrophobicContact CG-CD2 4.36Å; K406-Y409 HydrophobicContact CG-CE2 4.03Å; K406-Y409 PolarHBondContact O-N 3.39Å
407	R	93.3	Very high	96.1	Very high	131 Å²	131	84.5 Å²	84.5	49%	0.494	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-54	-31.8	-175.8	-62.3	-60.3	-172.2	170.6	5.2	114	I401 Q402 T404 R405 Y409 F410	I401-R407 PolarHBondContact O-NH1 2.73Å; Q402-R407 PolarHBondContact O-NH1 3.43Å; Q402-R407 VanDerWaalsContact O-NH1 3.07Å; Q402-R407 PolarHBondContact O-NH2 3.39Å; T404-R407 WeakPolarHBondContact O-CD 3.37Å; T404-R407 PolarHBondContact O-NE 3.2Å; T404-R407 VanDerWaalsContact O-NE 3.1Å; R405-R407 PolarHBondContact O-N 2.84Å; R407-Y409 PolarHBondContact O-N 3.12Å; R407-F410 PolarHBondContact O-N 2.87Å
408	K	96	Very high	95.9	Very high	159 Å²	159	87.1 Å²	87.1	69%	0.691	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-59	-15.3	177.8	67.7	175	-178.1	176.4	0	115.2	K406	K406-K408 PolarHBondContact O-N 2.69Å
409	Y	96.6	Very high	95.7	Very high	26 Å²	26	86.4 Å²	86.4	10%	0.102	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-84.5	-13.5	175.7	-60.9	-27.7	0	0	0	113	K383 L386 K406 R407 L415 D416	K383-Y409 HydrophobicContact CB-CD1 4.06Å; K383-Y409 HydrophobicContact CB-CE1 4.24Å; K383-Y409 HydrophobicContact CD-CD1 4.1Å; K383-Y409 HydrophobicContact CG-CD1 4.08Å; K383-Y409 HydrophobicContact CG-CG 4.42Å; L386-Y409 HydrophobicContact CD1-CD2 3.9Å; K406-Y409 HydrophobicContact CB-CD2 3.62Å; K406-Y409 HydrophobicContact CB-CE2 3.76Å; K406-Y409 HydrophobicContact CB-CG 4.44Å; K406-Y409 HydrophobicContact CD-CE2 4.15Å; K406-Y409 HydrophobicContact CG-CD2 4.36Å; K406-Y409 HydrophobicContact CG-CE2 4.03Å; K406-Y409 PolarHBondContact O-N 3.39Å; R407-Y409 PolarHBondContact O-N 3.12Å; Y409-L415 WeakPolarHBondContact O-CD1 3.3Å; Y409-D416 WeakPolarHBondContact O-CB 3.46Å; Y409-D416 PolarHBondContact O-N 3.13Å
410	F	97.4	Very high	95.6	Very high	25 Å²	25	89.9 Å²	89.9	11%	0.11	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.2	-169.5	-58	-85	0	0	0	112.1	L350 L386 I396 I401 T404 R407 Q414 L415	L350-F410 HydrophobicContact CD2-CE2 3.63Å; L350-F410 HydrophobicContact CD2-CZ 3.66Å; L386-F410 HydrophobicContact CD1-CZ 4.14Å; I396-F410 HydrophobicContact CD1-CE1 4.27Å; I396-F410 HydrophobicContact CD1-CZ 4.37Å; I401-F410 HydrophobicContact CB-CD1 4.4Å; I401-F410 HydrophobicContact CB-CE1 4.41Å; I401-F410 HydrophobicContact CD1-CD1 4.01Å; I401-F410 HydrophobicContact CD1-CE1 3.85Å; I401-F410 HydrophobicContact CG1-CD1 4.04Å; I401-F410 HydrophobicContact CG1-CE1 3.69Å; I401-F410 HydrophobicContact CG1-CZ 4.1Å; I401-F410 HydrophobicContact CG2-CB 3.95Å; I401-F410 HydrophobicContact CG2-CD1 3.56Å; I401-F410 HydrophobicContact CG2-CD2 4.05Å; I401-F410 HydrophobicContact CG2-CE1 4.03Å; I401-F410 HydrophobicContact CG2-CE2 4.47Å; I401-F410 HydrophobicContact CG2-CG 3.57Å; I401-F410 HydrophobicContact CG2-CZ 4.46Å; T404-F410 HydrophobicContact CG2-CD2 4.18Å; T404-F410 HydrophobicContact CG2-CE2 3.92Å; R407-F410 PolarHBondContact O-N 2.87Å; F410-Q414 CarbonylContact C-O 3.36Å; F410-Q414 WeakPolarHBondContact CA-O 3.41Å; F410-Q414 WeakPolarHBondContact CB-O 3.48Å; F410-L415 HydrophobicContact CD1-CB 4.39Å; F410-L415 HydrophobicContact CD1-CD1 4.25Å; F410-L415 HydrophobicContact CE1-CB 4.32Å; F410-L415 HydrophobicContact CE1-CD1 3.84Å; F410-L415 HydrophobicContact CZ-CD1 4.21Å
411	H	95.5	Very high	95.5	Very high	117 Å²	117	91.3 Å²	91.3	54%	0.542	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.8	172.9	-177.7	-119	0	0	0	108.4	N413 Q414 D416	H411-N413 VanDerWaalsContact C-N 3.28Å; H411-N413 PolarHBondContact O-N 3.22Å; H411-Q414 PolarHBondContact N-O 2.89Å; H411-Q414 PolarHBondContact O-N 3.4Å; H411-D416 HydrophobicContact CB-CB 4.06Å
412	H	93	Very high	95.3	Very high	152 Å²	152	95.5 Å²	95.5	70%	0.704	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42	-173.7	-60.6	99.7	0	0	0	114.8	Q414	H412-Q414 PolarHBondContact O-N 3.49Å
413	N	92.1	Very high	95.2	Very high	73 Å²	73	92.4 Å²	92.4	39%	0.39	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	23.1	-176.2	-59.5	-42.3	0	0	0	114.7	I401 H411	I401-N413 WeakPolarHBondContact CD1-O 3.25Å; H411-N413 VanDerWaalsContact C-N 3.28Å; H411-N413 PolarHBondContact O-N 3.22Å
414	Q	95	Very high	95.1	Very high	142 Å²	142	85.2 Å²	85.2	66%	0.664	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	152.2	171.6	-63	-177.8	5.4	0	0	109.4	F410 H411 H412 D416	F410-Q414 CarbonylContact C-O 3.36Å; F410-Q414 WeakPolarHBondContact CA-O 3.41Å; F410-Q414 WeakPolarHBondContact CB-O 3.48Å; H411-Q414 PolarHBondContact N-O 2.89Å; H411-Q414 PolarHBondContact O-N 3.4Å; H412-Q414 PolarHBondContact O-N 3.49Å; Q414-D416 PolarHBondContact O-N 3.36Å
415	L	97	Very high	95.1	Very high	18 Å²	18	91 Å²	91	9%	0.094	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	125.6	174.4	-170.7	72.4	0	0	0	109	K383 L386 A387 E390 Y409 F410 W417	K383-L415 HydrophobicContact CG-CD1 4.32Å; L386-L415 HydrophobicContact CB-CD1 3.92Å; L386-L415 HydrophobicContact CB-CD2 4.12Å; L386-L415 HydrophobicContact CD1-CD1 4.14Å; A387-L415 VanDerWaalsContact CA-CD2 3.46Å; A387-L415 HydrophobicContact CB-CD2 3.66Å; E390-L415 WeakPolarHBondContact OE2-CB 3.34Å; Y409-L415 WeakPolarHBondContact O-CD1 3.3Å; F410-L415 HydrophobicContact CD1-CB 4.39Å; F410-L415 HydrophobicContact CD1-CD1 4.25Å; F410-L415 HydrophobicContact CE1-CB 4.32Å; F410-L415 HydrophobicContact CE1-CD1 3.84Å; F410-L415 HydrophobicContact CZ-CD1 4.21Å; L415-W417 HydrophobicContact CD2-CB 3.98Å; L415-W417 HydrophobicContact CD2-CG 4.5Å; L415-W417 HydrophobicContact CG-CB 4.09Å; L415-W417 PolarHBondContact O-N 3.44Å
416	D	96.9	Very high	95.1	Very high	84 Å²	84	83.2 Å²	83.2	45%	0.449	40%	0.395	S	S	.	.			trans	-77.6	64.8	-179	172	47.4	0	0	0	110.6	K383 Y409 H411 Q414	K383-D416 WeakPolarHBondContact CE-O 3.4Å; K383-D416 PolarHBondContact NZ-O 3.45Å; K383-D416 IonicContact NZ-OD2 2.69Å; K383-D416 PolarHBondContact NZ-OD2 3.15Å; Y409-D416 WeakPolarHBondContact O-CB 3.46Å; Y409-D416 PolarHBondContact O-N 3.13Å; H411-D416 HydrophobicContact CB-CB 4.06Å; Q414-D416 PolarHBondContact O-N 3.36Å
417	W	96.9	Very high	95.2	Very high	60 Å²	60	79.6 Å²	79.6	23%	0.227	38%	0.38	C	S	.	.			trans	-111.1	123.7	-170.3	-175.1	-107	0	0	0	112.5	K383 E384 A387 L415 E419 A423 V427	K383-W417 HydrophobicContact CG-CE3 4.14Å; K383-W417 HydrophobicContact CG-CZ3 4.41Å; E384-W417 HydrophobicContact CB-CH2 3.6Å; E384-W417 HydrophobicContact CB-CZ3 4.01Å; E384-W417 HydrophobicContact CG-CH2 3.73Å; E384-W417 HydrophobicContact CG-CZ2 4.25Å; A387-W417 HydrophobicContact CB-CB 4.49Å; A387-W417 HydrophobicContact CB-CD2 3.48Å; A387-W417 VanDerWaalsContact CB-CD2 3.48Å; A387-W417 VanDerWaalsContact CB-CE2 3.5Å; A387-W417 HydrophobicContact CB-CE3 3.98Å; A387-W417 HydrophobicContact CB-CG 3.71Å; A387-W417 HydrophobicContact CB-CH2 4.46Å; A387-W417 HydrophobicContact CB-CZ2 4.02Å; A387-W417 HydrophobicContact CB-CZ3 4.44Å; L415-W417 HydrophobicContact CD2-CB 3.98Å; L415-W417 HydrophobicContact CD2-CG 4.5Å; L415-W417 HydrophobicContact CG-CB 4.09Å; L415-W417 PolarHBondContact O-N 3.44Å; W417-E419 PolarHBondContact O-N 2.69Å; W417-A423 HydrophobicContact CH2-CB 3.69Å; W417-A423 HydrophobicContact CZ2-CB 3.96Å; W417-V427 HydrophobicContact CH2-CG2 4.5Å; W417-V427 HydrophobicContact CZ2-CB 4.43Å; W417-V427 HydrophobicContact CZ2-CG2 3.72Å
418	D	95.5	Very high	95.3	Very high	89 Å²	89	78.8 Å²	78.8	48%	0.476	38%	0.377	S	S	.	.			trans	-85.1	103.7	174.5	176.4	13.1	0	0	0	111	H420 S421 G424	D418-H420 PolarHBondContact O-N 3.36Å; D418-H420 WeakPolarHBondContact OD1-CA 3.48Å; D418-H420 WeakPolarHBondContact OD1-CB 3.45Å; D418-H420 PolarHBondContact OD1-N 3.47Å; D418-S421 WeakPolarHBondContact O-CB 3.47Å; D418-S421 PolarHBondContact O-N 3.38Å; D418-S421 PolarHBondContact O-OG 3.41Å; D418-S421 PolarHBondContact OD1-N 3.48Å; D418-S421 WeakPolarHBondContact OD2-CB 3.4Å; D418-S421 PolarHBondContact OD2-N 3.48Å; D418-G424 WeakPolarHBondContact O-CA 3.35Å
419	E	93.1	Very high	95.1	Very high	112 Å²	112	80 Å²	80	52%	0.523	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.8	176.7	-64.9	-163.9	172.6	0	0	114.3	W417 G424 R425	W417-E419 PolarHBondContact O-N 2.69Å; E419-G424 CarbonylContact O-C 3.59Å; E419-R425 PolarHBondContact O-N 3.11Å
420	H	94.4	Very high	94.9	Very high	142 Å²	142	86 Å²	86	66%	0.657	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.4	-177.8	-58.5	-48.3	0	0	0	113	D418	D418-H420 PolarHBondContact O-N 3.36Å; D418-H420 WeakPolarHBondContact OD1-CA 3.48Å; D418-H420 WeakPolarHBondContact OD1-CB 3.45Å; D418-H420 PolarHBondContact OD1-N 3.47Å
421	S	95.9	Very high	94.9	Very high	35 Å²	35	85 Å²	85	25%	0.245	40%	0.395	C	S	.	.	S	Bend	trans	-58.6	166.1	173.1	72	0	0	0	0	112.7	D418 A423 G424 R425	D418-S421 WeakPolarHBondContact O-CB 3.47Å; D418-S421 PolarHBondContact O-N 3.38Å; D418-S421 PolarHBondContact O-OG 3.41Å; D418-S421 PolarHBondContact OD1-N 3.48Å; D418-S421 WeakPolarHBondContact OD2-CB 3.4Å; D418-S421 PolarHBondContact OD2-N 3.48Å; S421-A423 VanDerWaalsContact C-N 3.31Å; S421-A423 PolarHBondContact O-N 2.88Å; S421-G424 PolarHBondContact O-N 3.47Å; S421-G424 PolarHBondContact OG-N 2.8Å; S421-R425 WeakPolarHBondContact O-CG 3.19Å; S421-R425 PolarHBondContact O-N 2.94Å
422	S	94.3	Very high	94.9	Very high	91 Å²	91	83.1 Å²	83.1	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-57.6	-44.6	173.2	48.4	0	0	0	0	112.1	R425 Y426	S422-R425 PolarHBondContact O-N 3.05Å; S422-Y426 PolarHBondContact O-N 3.29Å; S422-Y426 VanDerWaalsContact O-N 3.09Å
423	A	94.5	Very high	95.2	Very high	27 Å²	27	78.7 Å²	78.7	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-45.4	175.6	0	0	0	0	0	111.7	E384 W417 S421 R425 Y426 V427	E384-A423 WeakPolarHBondContact OE2-CB 3.4Å; W417-A423 HydrophobicContact CH2-CB 3.69Å; W417-A423 HydrophobicContact CZ2-CB 3.96Å; S421-A423 VanDerWaalsContact C-N 3.31Å; S421-A423 PolarHBondContact O-N 2.88Å; A423-R425 VanDerWaalsContact C-N 3.33Å; A423-R425 PolarHBondContact O-N 3.18Å; A423-Y426 WeakPolarHBondContact O-CA 3.4Å; A423-Y426 WeakPolarHBondContact O-CB 3.39Å; A423-Y426 PolarHBondContact O-N 2.96Å; A423-V427 PolarHBondContact O-N 2.7Å
424	G	95.7	Very high	95.4	Very high	2 Å²	2	75.8 Å²	75.8	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-57.3	-43.5	175.1	0	0	0	0	0	112.7	D418 E419 S421 Y426 V427 R428	D418-G424 WeakPolarHBondContact O-CA 3.35Å; E419-G424 CarbonylContact O-C 3.59Å; S421-G424 PolarHBondContact O-N 3.47Å; S421-G424 PolarHBondContact OG-N 2.8Å; G424-Y426 VanDerWaalsContact C-N 3.32Å; G424-Y426 PolarHBondContact O-N 3.45Å; G424-V427 PolarHBondContact O-N 3.31Å; G424-R428 VanDerWaalsContact O-CB 3.31Å; G424-R428 WeakPolarHBondContact O-CB 3.49Å; G424-R428 PolarHBondContact O-N 3.42Å
425	R	95.6	Very high	95.5	Very high	121 Å²	121	76.3 Å²	76.3	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-66.8	-29.5	174	-70.4	-174	-62.6	-157.3	1.9	113.5	E419 S421 S422 A423 R429	E419-R425 PolarHBondContact O-N 3.11Å; S421-R425 WeakPolarHBondContact O-CG 3.19Å; S421-R425 PolarHBondContact O-N 2.94Å; S422-R425 PolarHBondContact O-N 3.05Å; A423-R425 VanDerWaalsContact C-N 3.33Å; A423-R425 PolarHBondContact O-N 3.18Å; R425-R429 WeakPolarHBondContact O-CB 3.36Å; R425-R429 WeakPolarHBondContact O-CG 3.49Å; R425-R429 PolarHBondContact O-N 2.88Å; R425-R429 PolarHBondContact O-NE 3.2Å
426	Y	94.9	Very high	95.5	Very high	62 Å²	62	80.8 Å²	80.8	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-54.2	173.5	168.8	-95.2	0	0	0	110.1	Q378 S422 A423 G424 R428 R429 R430	Q378-Y426 PolarHBondContact O-OH 2.98Å; Q378-Y426 VanDerWaalsContact O-OH 3.14Å; S422-Y426 PolarHBondContact O-N 3.29Å; S422-Y426 VanDerWaalsContact O-N 3.09Å; A423-Y426 WeakPolarHBondContact O-CA 3.4Å; A423-Y426 WeakPolarHBondContact O-CB 3.39Å; A423-Y426 PolarHBondContact O-N 2.96Å; G424-Y426 VanDerWaalsContact C-N 3.32Å; G424-Y426 PolarHBondContact O-N 3.45Å; Y426-R428 VanDerWaalsContact C-N 3.3Å; Y426-R428 PolarHBondContact O-N 2.9Å; Y426-R429 PolarHBondContact O-N 3.26Å; Y426-R430 HydrophobicContact CD2-CG 3.99Å; Y426-R430 HydrophobicContact CE2-CG 3.67Å; Y426-R430 PolarHBondContact O-N 3.36Å
427	V	96.1	Very high	95.5	Very high	4 Å²	4	77.4 Å²	77.4	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-55	-46.6	177.3	173.8	0	0	0	0	110.7	E384 A387 M388 R391 W417 A423 G424 R429 R430 C431	E384-V427 HydrophobicContact CG-CG2 3.75Å; A387-V427 HydrophobicContact CB-CG1 4.5Å; M388-V427 HydrophobicContact CG-CB 4.47Å; M388-V427 HydrophobicContact CG-CG1 4.07Å; M388-V427 HydrophobicContact CG-CG2 3.77Å; R391-V427 HydrophobicContact CB-CG1 4.42Å; W417-V427 HydrophobicContact CH2-CG2 4.5Å; W417-V427 HydrophobicContact CZ2-CB 4.43Å; W417-V427 HydrophobicContact CZ2-CG2 3.72Å; A423-V427 PolarHBondContact O-N 2.7Å; G424-V427 PolarHBondContact O-N 3.31Å; V427-R429 VanDerWaalsContact C-N 3.28Å; V427-R429 PolarHBondContact O-N 2.93Å; V427-R430 PolarHBondContact O-N 3.43Å; V427-C431 HydrophobicContact CG1-CB 4.37Å; V427-C431 VanDerWaalsContact O-CB 3.26Å; V427-C431 WeakPolarHBondContact O-CB 3.25Å; V427-C431 PolarHBondContact O-N 3.03Å
428	R	94.1	Very high	95.5	Very high	114 Å²	114	75.6 Å²	75.6	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-36.2	179.4	-169	176.2	65.7	-177.2	1.6	113.7	R391 G424 Y426	R391-R428 PolarHBondContact NE-O 3.42Å; R391-R428 PolarHBondContact NH2-O 3.21Å; G424-R428 VanDerWaalsContact O-CB 3.31Å; G424-R428 WeakPolarHBondContact O-CB 3.49Å; G424-R428 PolarHBondContact O-N 3.42Å; Y426-R428 VanDerWaalsContact C-N 3.3Å; Y426-R428 PolarHBondContact O-N 2.9Å
429	R	93.1	Very high	95.3	Very high	183 Å²	183	77.2 Å²	77.2	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-82.8	-34.3	-178	-79.2	-178.8	-78.5	166.5	-4.4	113	R425 Y426 V427	R425-R429 WeakPolarHBondContact O-CB 3.36Å; R425-R429 WeakPolarHBondContact O-CG 3.49Å; R425-R429 PolarHBondContact O-N 2.88Å; R425-R429 PolarHBondContact O-NE 3.2Å; Y426-R429 PolarHBondContact O-N 3.26Å; V427-R429 VanDerWaalsContact C-N 3.28Å; V427-R429 PolarHBondContact O-N 2.93Å
430	R	92.9	Very high	95.3	Very high	154 Å²	154	74.3 Å²	74.3	58%	0.581	35%	0.35	S	S	*	.	H	α-helix	trans	-93.7	-32	-174.2	-68.2	-63.3	-171.6	168.7	1.5	113.5	Y426 V427	Y426-R430 HydrophobicContact CD2-CG 3.99Å; Y426-R430 HydrophobicContact CE2-CG 3.67Å; Y426-R430 PolarHBondContact O-N 3.36Å; V427-R430 PolarHBondContact O-N 3.43Å
431	C	96.3	Very high	95.3	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.02	35%	0.35	C	S	.	.			trans	-98.8	144.6	-178.9	-59.9	0	0	0	0	110.8	M388 R391 I392 V427	M388-C431 WeakPolarHBondContact CE-SG 3.34Å; R391-C431 HydrophobicContact CB-CB 4.09Å; R391-C431 HydrophobicContact CG-CB 3.79Å; R391-C431 PolarHBondContact NE-O 3.37Å; R391-C431 PolarHBondContact NH2-O 2.65Å; I392-C431 HydrophobicContact CD1-CB 4.05Å; I392-C431 HydrophobicContact CG1-CB 3.81Å; V427-C431 HydrophobicContact CG1-CB 4.37Å; V427-C431 VanDerWaalsContact O-CB 3.26Å; V427-C431 WeakPolarHBondContact O-CB 3.25Å; V427-C431 PolarHBondContact O-N 3.03Å
432	K	96.4	Very high	95.3	Very high	77 Å²	77	75.8 Å²	75.8	34%	0.335	36%	0.355	S	S	.	.			trans	-150	161.2	174.6	55.5	-178.6	177.1	167.1	0	108.4	I392 L434 E436 F437	I392-K432 WeakPolarHBondContact CG1-O 3.39Å; K432-L434 PolarHBondContact O-N 2.79Å; K432-E436 HydrophobicContact CB-CB 4.43Å; K432-E436 HydrophobicContact CD-CB 3.75Å; K432-E436 VanDerWaalsContact CE-O 3.23Å; K432-E436 WeakPolarHBondContact CE-O 3.43Å; K432-E436 HydrophobicContact CG-CB 4.08Å; K432-E436 PolarHBondContact NZ-O 3.25Å; K432-F437 HydrophobicContact CD-CE1 4.45Å; K432-F437 VanDerWaalsContact CE-CD1 3.46Å; K432-F437 HydrophobicContact CG-CD1 4.4Å; K432-F437 HydrophobicContact CG-CD2 4.15Å; K432-F437 HydrophobicContact CG-CE1 4.02Å; K432-F437 HydrophobicContact CG-CE2 3.76Å; K432-F437 HydrophobicContact CG-CG 4.46Å; K432-F437 HydrophobicContact CG-CZ 3.69Å; K432-F437 VanDerWaalsContact O-CE2 3.23Å; K432-F437 WeakPolarHBondContact O-CE2 3.26Å
433	P	98.3	Very high	95.4	Very high	59 Å²	59	77.4 Å²	77.4	38%	0.383	35%	0.353	S	S	.	.			trans	-49	140.7	177.9	-29.9	35.9	0	0	0	112.6	I392 K435 E436	I392-P433 WeakPolarHBondContact O-CA 3.37Å; P433-K435 VanDerWaalsContact C-N 3.3Å; P433-K435 PolarHBondContact O-N 3.46Å; P433-K435 VanDerWaalsContact O-N 3.13Å; P433-E436 HydrophobicContact CB-CG 4.33Å; P433-E436 WeakPolarHBondContact CD-OE1 3.41Å; P433-E436 WeakPolarHBondContact CG-OE1 3.35Å; P433-E436 WeakPolarHBondContact O-CB 3.42Å; P433-E436 PolarHBondContact O-N 2.94Å
434	L	97.4	Very high	95.6	Very high	12 Å²	12	77.7 Å²	77.7	6%	0.063	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-47.8	-48.4	-170.8	178.2	60.8	0	0	0	113.1	I368 I392 L393 K432 E436 F437 F449 V452 R453	I368-L434 HydrophobicContact CD1-CD1 3.51Å; I368-L434 HydrophobicContact CG1-CD1 4.32Å; I392-L434 HydrophobicContact CG2-CB 3.98Å; I392-L434 HydrophobicContact CG2-CD1 4.37Å; I392-L434 PolarHBondContact O-N 3.22Å; L393-L434 HydrophobicContact CD2-CB 4.34Å; L393-L434 HydrophobicContact CD2-CD2 4.07Å; K432-L434 PolarHBondContact O-N 2.79Å; L434-E436 PolarHBondContact O-N 3Å; L434-E436 VanDerWaalsContact O-N 3.16Å; L434-F437 WeakPolarHBondContact O-CB 3.3Å; L434-F437 PolarHBondContact O-N 2.94Å; L434-F449 HydrophobicContact CD1-CD1 4.24Å; L434-F449 HydrophobicContact CD1-CE1 4.08Å; L434-F449 HydrophobicContact CG-CD1 4.07Å; L434-F449 HydrophobicContact CG-CE1 4.34Å; L434-F449 VanDerWaalsContact O-CE1 3.25Å; L434-F449 WeakPolarHBondContact O-CE1 3.5Å; L434-V452 HydrophobicContact CD1-CG1 4.23Å; L434-V452 HydrophobicContact CD2-CG1 4.15Å; L434-R453 HydrophobicContact CD2-CB 3.9Å; L434-R453 HydrophobicContact CD2-CG 4.38Å
435	K	96.3	Very high	95.7	Very high	154 Å²	154	78.9 Å²	78.9	67%	0.67	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.3	-179.1	-68.3	-169.3	174.4	-169.2	0	113.8	P433 F437 M438	P433-K435 VanDerWaalsContact C-N 3.3Å; P433-K435 PolarHBondContact O-N 3.46Å; P433-K435 VanDerWaalsContact O-N 3.13Å; K435-F437 PolarHBondContact O-N 3.05Å; K435-M438 WeakPolarHBondContact O-CB 3.43Å; K435-M438 VanDerWaalsContact O-CG 3.29Å; K435-M438 WeakPolarHBondContact O-CG 3.37Å; K435-M438 PolarHBondContact O-N 2.76Å
436	E	97.1	Very high	95.8	Very high	112 Å²	112	78.3 Å²	78.3	52%	0.523	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-75.7	-8.6	178.8	-61.9	-178.9	-151.7	0	0	113	K432 P433 L434 M438	K432-E436 HydrophobicContact CB-CB 4.43Å; K432-E436 HydrophobicContact CD-CB 3.75Å; K432-E436 VanDerWaalsContact CE-O 3.23Å; K432-E436 WeakPolarHBondContact CE-O 3.43Å; K432-E436 HydrophobicContact CG-CB 4.08Å; K432-E436 PolarHBondContact NZ-O 3.25Å; P433-E436 HydrophobicContact CB-CG 4.33Å; P433-E436 WeakPolarHBondContact CD-OE1 3.41Å; P433-E436 WeakPolarHBondContact CG-OE1 3.35Å; P433-E436 WeakPolarHBondContact O-CB 3.42Å; P433-E436 PolarHBondContact O-N 2.94Å; L434-E436 PolarHBondContact O-N 3Å; L434-E436 VanDerWaalsContact O-N 3.16Å; E436-M438 VanDerWaalsContact C-N 3.3Å
437	F	96.8	Very high	96	Very high	12 Å²	12	77.1 Å²	77.1	5%	0.053	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.1	-11.5	170.3	-72.8	-74	0	0	0	113.3	L372 I392 K432 L434 K435 L439 F449	L372-F437 HydrophobicContact CD1-CB 4.15Å; L372-F437 HydrophobicContact CD1-CD1 3.6Å; L372-F437 HydrophobicContact CD1-CE1 4.24Å; L372-F437 HydrophobicContact CD1-CG 4.04Å; L372-F437 HydrophobicContact CD2-CB 4.33Å; I392-F437 HydrophobicContact CD1-CE2 4.14Å; I392-F437 HydrophobicContact CD1-CZ 4.45Å; I392-F437 HydrophobicContact CG1-CE2 4.32Å; I392-F437 HydrophobicContact CG2-CE2 4.36Å; K432-F437 HydrophobicContact CD-CE1 4.45Å; K432-F437 VanDerWaalsContact CE-CD1 3.46Å; K432-F437 HydrophobicContact CG-CD1 4.4Å; K432-F437 HydrophobicContact CG-CD2 4.15Å; K432-F437 HydrophobicContact CG-CE1 4.02Å; K432-F437 HydrophobicContact CG-CE2 3.76Å; K432-F437 HydrophobicContact CG-CG 4.46Å; K432-F437 HydrophobicContact CG-CZ 3.69Å; K432-F437 VanDerWaalsContact O-CE2 3.23Å; K432-F437 WeakPolarHBondContact O-CE2 3.26Å; L434-F437 WeakPolarHBondContact O-CB 3.3Å; L434-F437 PolarHBondContact O-N 2.94Å; K435-F437 PolarHBondContact O-N 3.05Å; F437-L439 PolarHBondContact O-N 3.15Å; F437-F449 HydrophobicContact CB-CE1 4.03Å; F437-F449 HydrophobicContact CB-CZ 4.14Å
438	M	96.8	Very high	96.1	Very high	22 Å²	22	77 Å²	77	11%	0.108	35%	0.352	C	S	.	.			trans	-60.5	126.8	177	-67.6	179.2	64.1	0	0	111.2	K435 E436 C440 H445 E446 F449	K435-M438 WeakPolarHBondContact O-CB 3.43Å; K435-M438 VanDerWaalsContact O-CG 3.29Å; K435-M438 WeakPolarHBondContact O-CG 3.37Å; K435-M438 PolarHBondContact O-N 2.76Å; E436-M438 VanDerWaalsContact C-N 3.3Å; M438-C440 VanDerWaalsContact CE-O 3.26Å; M438-C440 WeakPolarHBondContact CE-O 3.39Å; M438-H445 HydrophobicContact CE-CB 4.03Å; M438-E446 HydrophobicContact CE-CB 4.39Å; M438-E446 HydrophobicContact CE-CG 3.69Å; M438-F449 HydrophobicContact CB-CE2 4.4Å; M438-F449 HydrophobicContact CB-CZ 4.4Å; M438-F449 HydrophobicContact CG-CB 4.25Å; M438-F449 HydrophobicContact CG-CD1 3.54Å; M438-F449 HydrophobicContact CG-CD2 3.47Å; M438-F449 VanDerWaalsContact CG-CD2 3.47Å; M438-F449 HydrophobicContact CG-CE1 3.64Å; M438-F449 HydrophobicContact CG-CE2 3.56Å; M438-F449 HydrophobicContact CG-CG 3.45Å; M438-F449 VanDerWaalsContact CG-CG 3.45Å; M438-F449 HydrophobicContact CG-CZ 3.64Å; M438-F449 HydrophobicContact SD-CB 3.95Å; M438-F449 HydrophobicContact SD-CD1 4.18Å; M438-F449 HydrophobicContact SD-CD2 4.18Å; M438-F449 HydrophobicContact SD-CG 3.82Å
439	L	92.3	Very high	96.3	Very high	123 Å²	123	72.1 Å²	72.1	64%	0.644	33%	0.334	S	S	*	.	S	Bend	trans	-87.3	-17.5	176.5	-53.2	173.8	0	0	0	112.4	Y371 F437	Y371-L439 HydrophobicContact CE1-CB 4.33Å; Y371-L439 HydrophobicContact CE1-CD1 4.11Å; Y371-L439 HydrophobicContact CE1-CG 3.77Å; Y371-L439 WeakPolarHBondContact OH-CA 3.13Å; Y371-L439 VanDerWaalsContact OH-CB 3.26Å; Y371-L439 WeakPolarHBondContact OH-CB 3.29Å; Y371-L439 PolarHBondContact OH-N 3.12Å; F437-L439 PolarHBondContact O-N 3.15Å
440	C	93.1	Very high	96.6	Very high	52 Å²	52	66.1 Å²	66.1	35%	0.351	32%	0.316	S	S	.	.			trans	-146.1	150.6	178.1	-164.7	0	0	0	0	109.6	M438 D442 H445	M438-C440 VanDerWaalsContact CE-O 3.26Å; M438-C440 WeakPolarHBondContact CE-O 3.39Å; C440-D442 PolarHBondContact SG-OD2 3.15Å; C440-H445 WeakPolarHBondContact O-CB 3.45Å
441	H	93.5	Very high	96.9	Very high	142 Å²	142	58.8 Å²	58.8	66%	0.657	29%	0.288	S	S	*	.			trans	-111.6	27.9	-179.9	-65.7	-73.3	0	0	0	112.4
442	D	96.2	Very high	97	Very high	65 Å²	65	58.8 Å²	58.8	35%	0.348	29%	0.288	S	S	.	.	S	Bend	trans	-75.5	164.5	167.5	68.7	64.7	0	0	0	111.1	C440 E444 H445 E446	C440-D442 PolarHBondContact SG-OD2 3.15Å; D442-E444 VanDerWaalsContact C-N 3.25Å; D442-E444 PolarHBondContact O-N 3.43Å; D442-E444 WeakPolarHBondContact OD1-CB 3.24Å; D442-E444 PolarHBondContact OD1-N 3.39Å; D442-H445 VanDerWaalsContact CG-CD2 3.49Å; D442-H445 PolarHBondContact O-N 2.9Å; D442-H445 IonicContact OD1-CD2 2.68Å; D442-H445 PolarHBondContact OD1-CD2 2.95Å; D442-H445 IonicContact OD1-CG 2.7Å; D442-H445 PolarHBondContact OD1-N 3.24Å; D442-H445 VanDerWaalsContact OD1-N 3.1Å; D442-H445 IonicContact OD2-CD2 3.84Å; D442-H445 PolarHBondContact OD2-CD2 2.84Å; D442-H445 IonicContact OD2-CG 2.69Å; D442-H445 IonicContact OD2-NE2 3.85Å; D442-E446 PolarHBondContact O-N 2.82Å
443	E	97	Very high	97.1	Very high	126 Å²	126	60.2 Å²	60.2	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-58.2	-34.8	-174.2	-167.1	-170.9	156.8	0	0	113	E446 K447	E443-E446 PolarHBondContact O-N 2.87Å; E443-K447 HydrophobicContact CG-CD 4.42Å; E443-K447 WeakPolarHBondContact O-CB 3.41Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.29Å; E443-K447 PolarHBondContact O-N 2.84Å; E443-K447 WeakPolarHBondContact OE1-CE 3.41Å; E443-K447 IonicContact OE1-NZ 2.7Å; E443-K447 PolarHBondContact OE1-NZ 2.89Å
444	E	97.1	Very high	97.1	Very high	33 Å²	33	61.4 Å²	61.4	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-74.4	-36.7	-176.6	-65.7	-56.4	118.5	0	0	111.6	R264 D442 K447 L448 L477	R264-E444 IonicContact CZ-OE2 3.47Å; R264-E444 IonicContact NE-OE2 3.52Å; R264-E444 IonicContact NH2-OE2 3.69Å; R264-E444 PolarHBondContact NH2-OE2 3.14Å; D442-E444 VanDerWaalsContact C-N 3.25Å; D442-E444 PolarHBondContact O-N 3.43Å; D442-E444 WeakPolarHBondContact OD1-CB 3.24Å; D442-E444 PolarHBondContact OD1-N 3.39Å; E444-K447 PolarHBondContact O-N 2.8Å; E444-K447 IonicContact OE1-NZ 2.83Å; E444-K447 PolarHBondContact OE1-NZ 3.08Å; E444-L448 PolarHBondContact O-N 3.33Å; E444-L477 HydrophobicContact CG-CD1 4.36Å; E444-L477 WeakPolarHBondContact OE2-CD1 3.36Å
445	H	98.1	Very high	97.2	Very high	27 Å²	27	60.8 Å²	60.8	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-39.9	172.9	-76.5	-116.2	0	0	0	112	Y371 M438 C440 D442 L448 F449	Y371-H445 AromaticContact CE2-CE1 3.46Å; Y371-H445 VanDerWaalsContact CE2-CE1 3.46Å; Y371-H445 WeakPolarHBondContact CE2-CE1 3.48Å; Y371-H445 AromaticContact CE2-ND1 3.32Å; Y371-H445 VanDerWaalsContact CE2-ND1 3.32Å; Y371-H445 WeakPolarHBondContact CE2-ND1 3.46Å; Y371-H445 AromaticContact CZ-CE1 3.82Å; Y371-H445 AromaticContact CZ-ND1 3.43Å; Y371-H445 PolarHBondContact OH-CE1 2.8Å; Y371-H445 VanDerWaalsContact OH-CE1 3.25Å; Y371-H445 PolarHBondContact OH-ND1 3.4Å; M438-H445 HydrophobicContact CE-CB 4.03Å; C440-H445 WeakPolarHBondContact O-CB 3.45Å; D442-H445 VanDerWaalsContact CG-CD2 3.49Å; D442-H445 PolarHBondContact O-N 2.9Å; D442-H445 IonicContact OD1-CD2 2.68Å; D442-H445 PolarHBondContact OD1-CD2 2.95Å; D442-H445 IonicContact OD1-CG 2.7Å; D442-H445 PolarHBondContact OD1-N 3.24Å; D442-H445 VanDerWaalsContact OD1-N 3.1Å; D442-H445 IonicContact OD2-CD2 3.84Å; D442-H445 PolarHBondContact OD2-CD2 2.84Å; D442-H445 IonicContact OD2-CG 2.69Å; D442-H445 IonicContact OD2-NE2 3.85Å; H445-L448 PolarHBondContact O-N 2.97Å; H445-F449 WeakPolarHBondContact O-CD2 3.13Å; H445-F449 PolarHBondContact O-N 3.33Å; H445-F449 VanDerWaalsContact O-N 3.09Å
446	E	98.2	Very high	97.3	Very high	108 Å²	108	53.7 Å²	53.7	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-43.2	173.6	-75.4	-170.9	166	0	0	112	M438 D442 E443 L448 F449 D450	M438-E446 HydrophobicContact CE-CB 4.39Å; M438-E446 HydrophobicContact CE-CG 3.69Å; D442-E446 PolarHBondContact O-N 2.82Å; E443-E446 PolarHBondContact O-N 2.87Å; E446-L448 PolarHBondContact O-N 3.18Å; E446-F449 PolarHBondContact O-N 3.11Å; E446-D450 PolarHBondContact O-N 3.37Å
447	K	98.6	Very high	97.4	Very high	38 Å²	38	51.3 Å²	51.3	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-41	175.6	-74.2	167.9	-176.6	163	0	112.6	E443 E444 D450 L451 H472 P473 F474	E443-K447 HydrophobicContact CG-CD 4.42Å; E443-K447 WeakPolarHBondContact O-CB 3.41Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.29Å; E443-K447 PolarHBondContact O-N 2.84Å; E443-K447 WeakPolarHBondContact OE1-CE 3.41Å; E443-K447 IonicContact OE1-NZ 2.7Å; E443-K447 PolarHBondContact OE1-NZ 2.89Å; E444-K447 PolarHBondContact O-N 2.8Å; E444-K447 IonicContact OE1-NZ 2.83Å; E444-K447 PolarHBondContact OE1-NZ 3.08Å; K447-D450 PolarHBondContact O-N 2.96Å; K447-L451 PolarHBondContact O-N 3.13Å; K447-L451 VanDerWaalsContact O-N 3.12Å; K447-H472 PolarHBondContact O-CE1 3.41Å; K447-P473 HydrophobicContact CD-CB 4.4Å; K447-F474 HydrophobicContact CB-CB 4Å; K447-F474 HydrophobicContact CB-CD2 4.07Å
448	L	98.8	Very high	97.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-48.1	174.3	173	62.3	0	0	0	110.7	I260 I263 L367 Y371 E444 H445 E446 D450 L451 V452 F474	I260-L448 HydrophobicContact CD1-CB 4.15Å; I260-L448 HydrophobicContact CD1-CD2 3.49Å; I260-L448 VanDerWaalsContact CD1-CD2 3.49Å; I260-L448 HydrophobicContact CD1-CG 4.4Å; I263-L448 HydrophobicContact CG2-CD1 4.2Å; I263-L448 HydrophobicContact CG2-CD2 4.24Å; L367-L448 HydrophobicContact CD1-CD1 4.38Å; Y371-L448 HydrophobicContact CD2-CD2 3.59Å; Y371-L448 HydrophobicContact CE2-CD2 4.25Å; Y371-L448 HydrophobicContact CG-CD2 4.12Å; E444-L448 PolarHBondContact O-N 3.33Å; H445-L448 PolarHBondContact O-N 2.97Å; E446-L448 PolarHBondContact O-N 3.18Å; L448-D450 VanDerWaalsContact C-N 3.34Å; L448-D450 PolarHBondContact O-N 3.38Å; L448-L451 WeakPolarHBondContact O-CB 3.41Å; L448-L451 PolarHBondContact O-N 3.31Å; L448-V452 HydrophobicContact CD1-CG2 4.06Å; L448-V452 HydrophobicContact CG-CG2 4.4Å; L448-V452 WeakPolarHBondContact O-CG2 3.33Å; L448-V452 PolarHBondContact O-N 3.18Å; L448-F474 HydrophobicContact CB-CD2 4.02Å; L448-F474 HydrophobicContact CB-CE2 3.72Å; L448-F474 HydrophobicContact CB-CZ 4.03Å; L448-F474 HydrophobicContact CD1-CD1 4.4Å; L448-F474 HydrophobicContact CD1-CE1 3.81Å; L448-F474 HydrophobicContact CD1-CE2 4.38Å; L448-F474 HydrophobicContact CD1-CZ 3.81Å; L448-F474 HydrophobicContact CG-CZ 4.37Å
449	F	98.6	Very high	97.6	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-28.8	-177.1	-89.1	-104.2	0	0	0	113.2	Y371 L434 F437 M438 H445 E446 R453	Y371-F449 AromaticContact CD1-CE2 3.64Å; Y371-F449 HydrophobicContact CD1-CE2 3.64Å; Y371-F449 AromaticContact CD1-CZ 3.73Å; Y371-F449 HydrophobicContact CD1-CZ 3.73Å; Y371-F449 HydrophobicContact CD2-CE2 4.45Å; Y371-F449 AromaticContact CE1-CE2 3.48Å; Y371-F449 HydrophobicContact CE1-CE2 3.48Å; Y371-F449 VanDerWaalsContact CE1-CE2 3.48Å; Y371-F449 AromaticContact CE1-CZ 3.68Å; Y371-F449 HydrophobicContact CE1-CZ 3.68Å; Y371-F449 HydrophobicContact CE2-CE2 4.33Å; Y371-F449 HydrophobicContact CG-CE2 4.15Å; Y371-F449 AromaticContact CZ-CE2 3.86Å; L434-F449 HydrophobicContact CD1-CD1 4.24Å; L434-F449 HydrophobicContact CD1-CE1 4.08Å; L434-F449 HydrophobicContact CG-CD1 4.07Å; L434-F449 HydrophobicContact CG-CE1 4.34Å; L434-F449 VanDerWaalsContact O-CE1 3.25Å; L434-F449 WeakPolarHBondContact O-CE1 3.5Å; F437-F449 HydrophobicContact CB-CE1 4.03Å; F437-F449 HydrophobicContact CB-CZ 4.14Å; M438-F449 HydrophobicContact CB-CE2 4.4Å; M438-F449 HydrophobicContact CB-CZ 4.4Å; M438-F449 HydrophobicContact CG-CB 4.25Å; M438-F449 HydrophobicContact CG-CD1 3.54Å; M438-F449 HydrophobicContact CG-CD2 3.47Å; M438-F449 VanDerWaalsContact CG-CD2 3.47Å; M438-F449 HydrophobicContact CG-CE1 3.64Å; M438-F449 HydrophobicContact CG-CE2 3.56Å; M438-F449 HydrophobicContact CG-CG 3.45Å; M438-F449 VanDerWaalsContact CG-CG 3.45Å; M438-F449 HydrophobicContact CG-CZ 3.64Å; M438-F449 HydrophobicContact SD-CB 3.95Å; M438-F449 HydrophobicContact SD-CD1 4.18Å; M438-F449 HydrophobicContact SD-CD2 4.18Å; M438-F449 HydrophobicContact SD-CG 3.82Å; H445-F449 WeakPolarHBondContact O-CD2 3.13Å; H445-F449 PolarHBondContact O-N 3.33Å; H445-F449 VanDerWaalsContact O-N 3.09Å; E446-F449 PolarHBondContact O-N 3.11Å; F449-R453 VanDerWaalsContact O-CB 3.24Å; F449-R453 WeakPolarHBondContact O-CB 3.4Å; F449-R453 PolarHBondContact O-N 3.04Å
450	D	98.8	Very high	97.9	Very high	58 Å²	58	47 Å²	47	31%	0.31	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-45	169.6	-171.7	59.3	0	0	0	111.9	E446 K447 L448 V452 R453 R454 H472	E446-D450 PolarHBondContact O-N 3.37Å; K447-D450 PolarHBondContact O-N 2.96Å; L448-D450 VanDerWaalsContact C-N 3.34Å; L448-D450 PolarHBondContact O-N 3.38Å; D450-V452 PolarHBondContact O-N 3.4Å; D450-R453 PolarHBondContact O-N 2.82Å; D450-R453 IonicContact OD1-CZ 3.55Å; D450-R453 IonicContact OD1-NE 3.32Å; D450-R453 PolarHBondContact OD1-NE 2.8Å; D450-R453 IonicContact OD1-NH2 2.86Å; D450-R453 PolarHBondContact OD1-NH2 3.49Å; D450-R454 WeakPolarHBondContact O-CG 3.47Å; D450-R454 PolarHBondContact O-N 2.76Å; D450-H472 IonicContact OD2-NE2 3.21Å; D450-H472 PolarHBondContact OD2-NE2 3.09Å
451	L	98.9	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-50.1	175.4	-179.9	59.1	0	0	0	111.3	K447 L448 R453 R454 M455 I464 A469 H472 F474 F475	K447-L451 PolarHBondContact O-N 3.13Å; K447-L451 VanDerWaalsContact O-N 3.12Å; L448-L451 WeakPolarHBondContact O-CB 3.41Å; L448-L451 PolarHBondContact O-N 3.31Å; L451-R453 VanDerWaalsContact C-N 3.34Å; L451-R453 PolarHBondContact O-N 2.69Å; L451-R454 PolarHBondContact O-N 3.01Å; L451-R454 VanDerWaalsContact O-N 3.16Å; L451-M455 HydrophobicContact CD1-CE 3.92Å; L451-M455 HydrophobicContact CD2-CE 4.2Å; L451-M455 HydrophobicContact CG-CE 3.96Å; L451-M455 HydrophobicContact CG-SD 4.19Å; L451-M455 WeakPolarHBondContact O-CG 3.42Å; L451-M455 PolarHBondContact O-N 2.86Å; L451-I464 HydrophobicContact CD1-CD1 4.15Å; L451-A469 HydrophobicContact CD1-CB 4.05Å; L451-H472 HydrophobicContact CD1-CB 3.95Å; L451-F474 HydrophobicContact CD2-CB 4.44Å; L451-F474 HydrophobicContact CD2-CD1 3.87Å; L451-F475 HydrophobicContact CD2-CE2 3.82Å; L451-F475 HydrophobicContact CD2-CZ 3.71Å
452	V	98.8	Very high	98.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-44.8	177.7	166.7	0	0	0	0	111.2	L367 I368 L434 L448 D450 R454 M455 L456	L367-V452 HydrophobicContact CB-CG2 3.92Å; L367-V452 HydrophobicContact CD1-CG2 4.35Å; I368-V452 HydrophobicContact CD1-CG1 3.49Å; I368-V452 VanDerWaalsContact CD1-CG1 3.49Å; I368-V452 HydrophobicContact CG1-CB 4.5Å; I368-V452 HydrophobicContact CG1-CG1 3.41Å; I368-V452 VanDerWaalsContact CG1-CG1 3.41Å; I368-V452 HydrophobicContact CG1-CG2 4.32Å; L434-V452 HydrophobicContact CD1-CG1 4.23Å; L434-V452 HydrophobicContact CD2-CG1 4.15Å; L448-V452 HydrophobicContact CD1-CG2 4.06Å; L448-V452 HydrophobicContact CG-CG2 4.4Å; L448-V452 WeakPolarHBondContact O-CG2 3.33Å; L448-V452 PolarHBondContact O-N 3.18Å; D450-V452 PolarHBondContact O-N 3.4Å; V452-R454 VanDerWaalsContact C-N 3.28Å; V452-R454 PolarHBondContact O-N 2.98Å; V452-M455 WeakPolarHBondContact O-CB 3.36Å; V452-M455 PolarHBondContact O-N 2.86Å; V452-M455 VanDerWaalsContact O-N 3.16Å; V452-L456 HydrophobicContact CG1-CD1 3.82Å; V452-L456 HydrophobicContact CG1-CG 4.31Å; V452-L456 WeakPolarHBondContact O-CB 3.5Å; V452-L456 WeakPolarHBondContact O-CG 3.44Å; V452-L456 PolarHBondContact O-N 2.99Å
453	R	98.7	Very high	98.5	Very high	108 Å²	108	46.7 Å²	46.7	41%	0.408	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-40.9	177.4	-176.5	-167.8	64.6	76.8	1.4	111.5	L434 F449 D450 L451 L456 E457	L434-R453 HydrophobicContact CD2-CB 3.9Å; L434-R453 HydrophobicContact CD2-CG 4.38Å; F449-R453 VanDerWaalsContact O-CB 3.24Å; F449-R453 WeakPolarHBondContact O-CB 3.4Å; F449-R453 PolarHBondContact O-N 3.04Å; D450-R453 PolarHBondContact O-N 2.82Å; D450-R453 IonicContact OD1-CZ 3.55Å; D450-R453 IonicContact OD1-NE 3.32Å; D450-R453 PolarHBondContact OD1-NE 2.8Å; D450-R453 IonicContact OD1-NH2 2.86Å; D450-R453 PolarHBondContact OD1-NH2 3.49Å; L451-R453 VanDerWaalsContact C-N 3.34Å; L451-R453 PolarHBondContact O-N 2.69Å; R453-L456 CarbonylContact O-C 3.49Å; R453-L456 PolarHBondContact O-N 2.83Å; R453-E457 PolarHBondContact O-N 3.01Å
454	R	98.9	Very high	98.6	Very high	83 Å²	83	40.9 Å²	40.9	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-31.6	177.3	-68.4	-178.1	67.2	-175.4	-3.7	112.9	D450 L451 V452 I464	D450-R454 WeakPolarHBondContact O-CG 3.47Å; D450-R454 PolarHBondContact O-N 2.76Å; L451-R454 PolarHBondContact O-N 3.01Å; L451-R454 VanDerWaalsContact O-N 3.16Å; V452-R454 VanDerWaalsContact C-N 3.28Å; V452-R454 PolarHBondContact O-N 2.98Å; R454-I464 HydrophobicContact CB-CB 3.99Å; R454-I464 HydrophobicContact CB-CD1 4.31Å; R454-I464 HydrophobicContact CB-CG2 3.93Å; R454-I464 VanDerWaalsContact CZ-CD1 3.44Å; R454-I464 WeakPolarHBondContact O-CG2 3.45Å; R454-I464 PolarHBondContact O-N 3.43Å
455	M	98.9	Very high	98.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-32.1	172.3	-70.8	176.3	165	0	0	112.4	V360 I363 L367 L451 V452 E457 R463 I464 A469	V360-M455 HydrophobicContact CG1-CB 3.98Å; V360-M455 HydrophobicContact CG1-CG 3.74Å; I363-M455 HydrophobicContact CB-SD 4.41Å; I363-M455 HydrophobicContact CG2-CE 3.85Å; I363-M455 HydrophobicContact CG2-SD 3.83Å; L367-M455 HydrophobicContact CD1-CE 4.42Å; L367-M455 HydrophobicContact CD1-SD 3.97Å; L451-M455 HydrophobicContact CD1-CE 3.92Å; L451-M455 HydrophobicContact CD2-CE 4.2Å; L451-M455 HydrophobicContact CG-CE 3.96Å; L451-M455 HydrophobicContact CG-SD 4.19Å; L451-M455 WeakPolarHBondContact O-CG 3.42Å; L451-M455 PolarHBondContact O-N 2.86Å; V452-M455 WeakPolarHBondContact O-CB 3.36Å; V452-M455 PolarHBondContact O-N 2.86Å; V452-M455 VanDerWaalsContact O-N 3.16Å; M455-E457 VanDerWaalsContact C-N 3.3Å; M455-E457 PolarHBondContact O-N 2.65Å; M455-R463 WeakPolarHBondContact O-CD 3.27Å; M455-R463 WeakPolarHBondContact O-CG 2.82Å; M455-R463 PolarHBondContact O-NE 2.84Å; M455-I464 HydrophobicContact CB-CG2 4.46Å; M455-I464 HydrophobicContact CG-CG2 3.82Å; M455-A469 HydrophobicContact CE-CB 4.11Å
456	L	98.9	Very high	98.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	25.5	178.4	-62	-178.5	0	0	0	113.2	W361 I368 L393 V452 R453	W361-L456 HydrophobicContact CD2-CD2 3.73Å; W361-L456 HydrophobicContact CE3-CB 4.37Å; W361-L456 HydrophobicContact CE3-CD2 3.95Å; W361-L456 HydrophobicContact CG-CD2 4.18Å; W361-L456 HydrophobicContact CH2-CB 4.49Å; W361-L456 HydrophobicContact CH2-CD2 4.37Å; W361-L456 HydrophobicContact CZ2-CD2 4.13Å; W361-L456 HydrophobicContact CZ3-CB 4.14Å; W361-L456 HydrophobicContact CZ3-CD2 4.28Å; W361-L456 VanDerWaalsContact CZ3-O 3.24Å; W361-L456 WeakPolarHBondContact CZ3-O 3.25Å; I368-L456 HydrophobicContact CD1-CD1 3.61Å; L393-L456 HydrophobicContact CD1-CB 4.05Å; L393-L456 HydrophobicContact CD2-CB 3.96Å; L393-L456 HydrophobicContact CD2-CD1 4.12Å; V452-L456 HydrophobicContact CG1-CD1 3.82Å; V452-L456 HydrophobicContact CG1-CG 4.31Å; V452-L456 WeakPolarHBondContact O-CB 3.5Å; V452-L456 WeakPolarHBondContact O-CG 3.44Å; V452-L456 PolarHBondContact O-N 2.99Å; R453-L456 CarbonylContact O-C 3.49Å; R453-L456 PolarHBondContact O-N 2.83Å
457	E	98.9	Very high	98.7	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.29	20%	0.197	S	C	.	.			trans	-66.1	134.3	169.9	-175.4	54.2	-119.2	0	0	109.8	R453 M455 Q462 R463	R453-E457 PolarHBondContact O-N 3.01Å; M455-E457 VanDerWaalsContact C-N 3.3Å; M455-E457 PolarHBondContact O-N 2.65Å; E457-Q462 HydrophobicContact CG-CB 3.84Å; E457-R463 HydrophobicContact CB-CB 4.05Å; E457-R463 HydrophobicContact CB-CG 4.25Å; E457-R463 PolarHBondContact O-NE 2.77Å; E457-R463 PolarHBondContact O-NH2 3.49Å
458	Y	98.8	Very high	98.7	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.039	21%	0.21	C	C	.	.	S	Bend	trans	-66.9	-49.1	-174.7	-83.5	-70.6	0	0	0	112.1	P346 W361 M389 E390 L393 G394 I396 P397 M400 P460 R463	P346-Y458 HydrophobicContact CB-CD1 3.91Å; P346-Y458 HydrophobicContact CB-CE1 4.38Å; P346-Y458 HydrophobicContact CG-CD1 3.8Å; W361-Y458 HydrophobicContact CH2-CD1 4.5Å; W361-Y458 HydrophobicContact CH2-CE1 4.44Å; M389-Y458 HydrophobicContact CB-CE1 3.93Å; M389-Y458 VanDerWaalsContact CB-OH 3.3Å; M389-Y458 WeakPolarHBondContact CB-OH 3.37Å; M389-Y458 PolarHBondContact O-OH 3.07Å; M389-Y458 VanDerWaalsContact O-OH 3.06Å; M389-Y458 HydrophobicContact SD-CE1 4.19Å; E390-Y458 WeakPolarHBondContact CA-OH 3.46Å; E390-Y458 PolarHBondContact N-OH 2.96Å; E390-Y458 VanDerWaalsContact N-OH 3.15Å; L393-Y458 HydrophobicContact CB-CE2 3.78Å; G394-Y458 VanDerWaalsContact O-CE2 3.31Å; G394-Y458 WeakPolarHBondContact O-CE2 3.43Å; G394-Y458 PolarHBondContact O-OH 2.78Å; G394-Y458 VanDerWaalsContact O-OH 3.04Å; I396-Y458 HydrophobicContact CG1-CD1 4.22Å; I396-Y458 HydrophobicContact CG1-CE1 3.68Å; P397-Y458 VanDerWaalsContact CD-CB 3.43Å; P397-Y458 HydrophobicContact CG-CG 4.43Å; M400-Y458 WeakPolarHBondContact CE-O 3.46Å; Y458-P460 VanDerWaalsContact O-CD 3.3Å; Y458-P460 WeakPolarHBondContact O-CD 3.24Å; Y458-R463 PolarHBondContact O-NH2 3.23Å; Y458-R463 VanDerWaalsContact O-NH2 3.15Å
459	D	98.7	Very high	98.7	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.134	21%	0.21	C	C	.	.	S	Bend	trans	-75.3	113.6	-179.3	-173.6	-21.2	0	0	0	108.8	H399 T461 Q462 R463	H399-D459 IonicContact CE1-OD2 3.31Å; H399-D459 PolarHBondContact CE1-OD2 3.4Å; H399-D459 IonicContact NE2-OD2 3.78Å; H399-D459 PolarHBondContact NE2-OD2 2.79Å; D459-T461 PolarHBondContact O-N 3.38Å; D459-T461 WeakPolarHBondContact OD1-CB 3.29Å; D459-T461 PolarHBondContact OD1-N 2.92Å; D459-T461 PolarHBondContact OD1-OG1 3.43Å; D459-T461 PolarHBondContact OD2-OG1 3.24Å; D459-Q462 HydrophobicContact CB-CB 4.26Å; D459-Q462 HydrophobicContact CB-CG 4.09Å; D459-Q462 PolarHBondContact O-N 2.82Å; D459-R463 PolarHBondContact O-N 3.38Å
460	P	98.6	Very high	98.7	Very high	33 Å²	33	42.9 Å²	42.9	21%	0.214	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.2	-178.6	26.4	-35.4	0	0	0	113	E347 P357 Y458	E347-P460 HydrophobicContact CB-CG 4.2Å; E347-P460 HydrophobicContact CG-CB 4.39Å; E347-P460 HydrophobicContact CG-CG 4.13Å; P357-P460 HydrophobicContact CB-CB 3.75Å; P357-P460 HydrophobicContact CG-CB 4.21Å; Y458-P460 VanDerWaalsContact O-CD 3.3Å; Y458-P460 WeakPolarHBondContact O-CD 3.24Å
461	T	98.3	Very high	98.7	Very high	105 Å²	105	46.3 Å²	46.3	64%	0.644	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.9	176.1	71.6	0	0	0	0	113.8	D459	D459-T461 PolarHBondContact O-N 3.38Å; D459-T461 WeakPolarHBondContact OD1-CB 3.29Å; D459-T461 PolarHBondContact OD1-N 2.92Å; D459-T461 PolarHBondContact OD1-OG1 3.43Å; D459-T461 PolarHBondContact OD2-OG1 3.24Å
462	Q	98.5	Very high	98.7	Very high	135 Å²	135	46.6 Å²	46.6	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-12.5	176.1	-58	-55.6	-57.9	0	0	112.2	E457 D459	E457-Q462 HydrophobicContact CG-CB 3.84Å; D459-Q462 HydrophobicContact CB-CB 4.26Å; D459-Q462 HydrophobicContact CB-CG 4.09Å; D459-Q462 PolarHBondContact O-N 2.82Å
463	R	98.8	Very high	98.7	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-62.7	136.3	176.4	-166.2	177.6	-62.6	146.3	7.8	110.1	E347 P357 V360 M455 E457 Y458 D459 T465	E347-R463 IonicContact OE1-CZ 3.35Å; E347-R463 IonicContact OE1-NH1 3.8Å; E347-R463 PolarHBondContact OE1-NH1 2.79Å; E347-R463 IonicContact OE1-NH2 3.12Å; E347-R463 IonicContact OE2-CZ 3.75Å; E347-R463 IonicContact OE2-NH1 3.24Å; E347-R463 PolarHBondContact OE2-NH1 3.35Å; E347-R463 IonicContact OE2-NH2 3.54Å; E347-R463 PolarHBondContact OE2-NH2 2.73Å; P357-R463 VanDerWaalsContact C-NH1 3.28Å; P357-R463 WeakPolarHBondContact O-CD 3.5Å; P357-R463 PolarHBondContact O-NH1 3.13Å; V360-R463 HydrophobicContact CB-CG 4.42Å; V360-R463 HydrophobicContact CG1-CG 4.12Å; M455-R463 WeakPolarHBondContact O-CD 3.27Å; M455-R463 WeakPolarHBondContact O-CG 2.82Å; M455-R463 PolarHBondContact O-NE 2.84Å; E457-R463 HydrophobicContact CB-CB 4.05Å; E457-R463 HydrophobicContact CB-CG 4.25Å; E457-R463 PolarHBondContact O-NE 2.77Å; E457-R463 PolarHBondContact O-NH2 3.49Å; Y458-R463 PolarHBondContact O-NH2 3.23Å; Y458-R463 VanDerWaalsContact O-NH2 3.15Å; D459-R463 PolarHBondContact O-N 3.38Å; R463-T465 PolarHBondContact O-N 3.09Å
464	I	98.9	Very high	98.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-55.2	138.2	179.5	-166.6	178.5	0	0	0	110.6	V360 L451 R454 M455 E468 A469	V360-I464 HydrophobicContact CG1-CG2 4.08Å; V360-I464 WeakPolarHBondContact CG1-O 3.06Å; L451-I464 HydrophobicContact CD1-CD1 4.15Å; R454-I464 HydrophobicContact CB-CB 3.99Å; R454-I464 HydrophobicContact CB-CD1 4.31Å; R454-I464 HydrophobicContact CB-CG2 3.93Å; R454-I464 VanDerWaalsContact CZ-CD1 3.44Å; R454-I464 WeakPolarHBondContact O-CG2 3.45Å; R454-I464 PolarHBondContact O-N 3.43Å; M455-I464 HydrophobicContact CB-CG2 4.46Å; M455-I464 HydrophobicContact CG-CG2 3.82Å; I464-E468 HydrophobicContact CD1-CB 4.09Å; I464-E468 HydrophobicContact CG1-CB 3.59Å; I464-A469 HydrophobicContact CD1-CB 3.98Å; I464-A469 HydrophobicContact CG1-CB 4.44Å
465	T	98.8	Very high	98.7	Very high	66 Å²	66	40.2 Å²	40.2	41%	0.405	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-80.3	161.5	171.1	61.1	0	0	0	0	110.8	R463 D467 E468 A469	R463-T465 PolarHBondContact O-N 3.09Å; T465-D467 VanDerWaalsContact C-N 3.31Å; T465-D467 PolarHBondContact O-N 3.27Å; T465-E468 PolarHBondContact N-OE2 2.88Å; T465-E468 PolarHBondContact O-N 2.95Å; T465-E468 VanDerWaalsContact OG1-CD 3.27Å; T465-E468 WeakPolarHBondContact OG1-CG 3.48Å; T465-E468 PolarHBondContact OG1-N 3.36Å; T465-E468 PolarHBondContact OG1-OE2 2.8Å; T465-A469 WeakPolarHBondContact O-CB 3.48Å; T465-A469 PolarHBondContact O-N 3.24Å
466	L	98.8	Very high	98.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-70.8	-28	178.3	-64.6	179.8	0	0	0	113	C271 I274 N275 V360 I363 A469 L470	C271-L466 HydrophobicContact CB-CD2 4.3Å; I274-L466 HydrophobicContact CB-CD1 3.56Å; I274-L466 HydrophobicContact CG2-CD1 3.47Å; I274-L466 VanDerWaalsContact CG2-CD1 3.47Å; N275-L466 HydrophobicContact CB-CB 3.71Å; N275-L466 HydrophobicContact CB-CD1 4.22Å; V360-L466 HydrophobicContact CG1-CD2 4.45Å; V360-L466 HydrophobicContact CG2-CD2 4Å; V360-L466 HydrophobicContact CG2-CG 3.95Å; I363-L466 HydrophobicContact CD1-CD1 4.26Å; I363-L466 HydrophobicContact CD1-CD2 3.92Å; L466-A469 HydrophobicContact CD2-CB 4.41Å; L466-A469 PolarHBondContact O-N 2.94Å; L466-L470 WeakPolarHBondContact O-CB 3.25Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.37Å; L466-L470 PolarHBondContact O-N 2.9Å
467	D	98.5	Very high	98.4	Very high	78 Å²	78	47 Å²	47	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-58.6	-47	169.3	-72.1	-55.1	0	0	0	112	N275 H279 T465	N275-D467 PolarHBondContact ND2-OD1 3.25Å; H279-D467 IonicContact CE1-OD1 3.71Å; H279-D467 PolarHBondContact CE1-OD1 3.17Å; H279-D467 IonicContact CE1-OD2 3.82Å; H279-D467 IonicContact NE2-OD1 3.13Å; H279-D467 IonicContact NE2-OD2 3.18Å; T465-D467 VanDerWaalsContact C-N 3.31Å; T465-D467 PolarHBondContact O-N 3.27Å
468	E	98.7	Very high	98.1	Very high	97 Å²	97	46.4 Å²	46.4	45%	0.453	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-39.8	175.7	-68.6	168.2	143.6	0	0	111.8	I464 T465 L470 Q471 H472	I464-E468 HydrophobicContact CD1-CB 4.09Å; I464-E468 HydrophobicContact CG1-CB 3.59Å; T465-E468 PolarHBondContact N-OE2 2.88Å; T465-E468 PolarHBondContact O-N 2.95Å; T465-E468 VanDerWaalsContact OG1-CD 3.27Å; T465-E468 WeakPolarHBondContact OG1-CG 3.48Å; T465-E468 PolarHBondContact OG1-N 3.36Å; T465-E468 PolarHBondContact OG1-OE2 2.8Å; E468-L470 VanDerWaalsContact C-N 3.35Å; E468-L470 PolarHBondContact O-N 3.04Å; E468-Q471 PolarHBondContact O-N 3.4Å; E468-Q471 VanDerWaalsContact O-N 3.1Å; E468-H472 PolarHBondContact O-N 3.05Å
469	A	98.8	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-42.1	178.9	0	0	0	0	0	111.7	L451 M455 I464 T465 L466 Q471 H472 F475	L451-A469 HydrophobicContact CD1-CB 4.05Å; M455-A469 HydrophobicContact CE-CB 4.11Å; I464-A469 HydrophobicContact CD1-CB 3.98Å; I464-A469 HydrophobicContact CG1-CB 4.44Å; T465-A469 WeakPolarHBondContact O-CB 3.48Å; T465-A469 PolarHBondContact O-N 3.24Å; L466-A469 HydrophobicContact CD2-CB 4.41Å; L466-A469 PolarHBondContact O-N 2.94Å; A469-Q471 PolarHBondContact O-N 3.14Å; A469-H472 WeakPolarHBondContact O-CB 3.3Å; A469-H472 PolarHBondContact O-N 2.77Å; A469-F475 WeakPolarHBondContact O-CD2 3.15Å; A469-F475 WeakPolarHBondContact O-CE2 3.47Å
470	L	98.6	Very high	95.7	Very high	17 Å²	17	57.1 Å²	57.1	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-18.2	177	-73.1	165.7	0	0	0	113.3	Y268 C271 Q272 N275 L466 E468 K479	Y268-L470 HydrophobicContact CD2-CD2 3.76Å; Y268-L470 HydrophobicContact CE2-CD2 3.59Å; Y268-L470 HydrophobicContact CG-CD2 4.38Å; C271-L470 HydrophobicContact CB-CD2 3.74Å; C271-L470 HydrophobicContact CB-CG 4.04Å; Q272-L470 HydrophobicContact CB-CD2 4.33Å; N275-L470 HydrophobicContact CB-CD1 4.17Å; L466-L470 WeakPolarHBondContact O-CB 3.25Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.37Å; L466-L470 PolarHBondContact O-N 2.9Å; E468-L470 VanDerWaalsContact C-N 3.35Å; E468-L470 PolarHBondContact O-N 3.04Å; L470-K479 PolarHBondContact O-NZ 3.41Å
471	Q	98.4	Very high	93.2	Very high	130 Å²	130	67 Å²	67	61%	0.607	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.3	172	-56.1	-51.9	-33.4	0	0	113.8	E468 A469	E468-Q471 PolarHBondContact O-N 3.4Å; E468-Q471 VanDerWaalsContact O-N 3.1Å; A469-Q471 PolarHBondContact O-N 3.14Å
472	H	98.7	Very high	93	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.032	32%	0.315	C	S	.	.	S	Bend	trans	-65.6	141.6	-178.2	-167.7	-93	0	0	0	112.4	K447 D450 L451 E468 A469 F474 F475	K447-H472 PolarHBondContact O-CE1 3.41Å; D450-H472 IonicContact OD2-NE2 3.21Å; D450-H472 PolarHBondContact OD2-NE2 3.09Å; L451-H472 HydrophobicContact CD1-CB 3.95Å; E468-H472 PolarHBondContact O-N 3.05Å; A469-H472 WeakPolarHBondContact O-CB 3.3Å; A469-H472 PolarHBondContact O-N 2.77Å; H472-F474 VanDerWaalsContact ND1-CB 3.35Å; H472-F474 WeakPolarHBondContact ND1-CB 3.49Å; H472-F474 PolarHBondContact ND1-N 3.33Å; H472-F474 VanDerWaalsContact ND1-N 3.19Å; H472-F474 PolarHBondContact O-N 3.19Å; H472-F475 HydrophobicContact CB-CD2 4.37Å; H472-F475 PolarHBondContact O-N 2.96Å
473	P	98.4	Very high	92.7	Very high	59 Å²	59	61.4 Å²	61.4	38%	0.383	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.6	-22.7	-178.9	-28.8	35.8	0	0	0	115.6	K447 F475 D476	K447-P473 HydrophobicContact CD-CB 4.4Å; P473-F475 PolarHBondContact O-N 3.01Å; P473-F475 VanDerWaalsContact O-N 3.15Å; P473-D476 WeakPolarHBondContact CA-OD2 3.3Å; P473-D476 WeakPolarHBondContact O-CB 3.43Å; P473-D476 PolarHBondContact O-N 2.61Å; P473-D476 VanDerWaalsContact O-N 3.14Å
474	F	98.6	Very high	92.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.5	-29.3	173.4	-179.1	-122.5	0	0	0	112.5	I260 R264 A267 K447 L448 L451 H472	I260-F474 HydrophobicContact CD1-CE2 4.04Å; I260-F474 HydrophobicContact CD1-CZ 4.2Å; I260-F474 HydrophobicContact CG1-CE2 4.34Å; R264-F474 HydrophobicContact CB-CE1 3.87Å; R264-F474 HydrophobicContact CB-CE2 4.2Å; R264-F474 HydrophobicContact CB-CZ 3.55Å; R264-F474 WeakPolarHBondContact CD-O 3.33Å; R264-F474 HydrophobicContact CG-CD1 4.24Å; R264-F474 HydrophobicContact CG-CE1 3.86Å; R264-F474 HydrophobicContact CG-CE2 4.25Å; R264-F474 HydrophobicContact CG-CZ 3.85Å; R264-F474 WeakPolarHBondContact CG-O 3.35Å; R264-F474 PolarHBondContact NE-O 3.3Å; A267-F474 HydrophobicContact CB-CE1 4.38Å; K447-F474 HydrophobicContact CB-CB 4Å; K447-F474 HydrophobicContact CB-CD2 4.07Å; L448-F474 HydrophobicContact CB-CD2 4.02Å; L448-F474 HydrophobicContact CB-CE2 3.72Å; L448-F474 HydrophobicContact CB-CZ 4.03Å; L448-F474 HydrophobicContact CD1-CD1 4.4Å; L448-F474 HydrophobicContact CD1-CE1 3.81Å; L448-F474 HydrophobicContact CD1-CE2 4.38Å; L448-F474 HydrophobicContact CD1-CZ 3.81Å; L448-F474 HydrophobicContact CG-CZ 4.37Å; L451-F474 HydrophobicContact CD2-CB 4.44Å; L451-F474 HydrophobicContact CD2-CD1 3.87Å; H472-F474 VanDerWaalsContact ND1-CB 3.35Å; H472-F474 WeakPolarHBondContact ND1-CB 3.49Å; H472-F474 PolarHBondContact ND1-N 3.33Å; H472-F474 VanDerWaalsContact ND1-N 3.19Å; H472-F474 PolarHBondContact O-N 3.19Å
475	F	98.5	Very high	92	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-93.9	-0.1	-178.6	-59.7	-52	0	0	0	114.4	R264 A267 Y268 L451 A469 H472 P473 L477 L478	R264-F475 HydrophobicContact CG-CD1 3.96Å; R264-F475 HydrophobicContact CG-CE1 4.43Å; A267-F475 HydrophobicContact CB-CE1 3.85Å; A267-F475 HydrophobicContact CB-CZ 3.98Å; Y268-F475 HydrophobicContact CD2-CB 4Å; Y268-F475 AromaticContact CD2-CD1 3.88Å; Y268-F475 HydrophobicContact CD2-CD1 3.88Å; Y268-F475 HydrophobicContact CD2-CD2 4.05Å; Y268-F475 HydrophobicContact CD2-CE1 4.34Å; Y268-F475 HydrophobicContact CD2-CE2 4.49Å; Y268-F475 AromaticContact CD2-CG 3.72Å; Y268-F475 HydrophobicContact CD2-CG 3.72Å; Y268-F475 HydrophobicContact CE2-CB 4.46Å; Y268-F475 HydrophobicContact CG-CD1 4.34Å; L451-F475 HydrophobicContact CD2-CE2 3.82Å; L451-F475 HydrophobicContact CD2-CZ 3.71Å; A469-F475 WeakPolarHBondContact O-CD2 3.15Å; A469-F475 WeakPolarHBondContact O-CE2 3.47Å; H472-F475 HydrophobicContact CB-CD2 4.37Å; H472-F475 PolarHBondContact O-N 2.96Å; P473-F475 PolarHBondContact O-N 3.01Å; P473-F475 VanDerWaalsContact O-N 3.15Å; F475-L477 PolarHBondContact O-N 2.91Å; F475-L478 HydrophobicContact CD1-CD1 4.05Å; F475-L478 WeakPolarHBondContact O-CB 3.49Å; F475-L478 PolarHBondContact O-N 2.78Å
476	D	96.9	Very high	91.5	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-34	-175.1	-73.3	-16	0	0	0	113.2	P473 L478 K479	P473-D476 WeakPolarHBondContact CA-OD2 3.3Å; P473-D476 WeakPolarHBondContact O-CB 3.43Å; P473-D476 PolarHBondContact O-N 2.61Å; P473-D476 VanDerWaalsContact O-N 3.14Å; D476-L478 PolarHBondContact O-N 3.45Å; D476-K479 PolarHBondContact O-N 2.93Å
477	L	94.7	Very high	91	Very high	84 Å²	84	72.2 Å²	72.2	44%	0.44	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-20.8	177	-65.3	180	0	0	0	113.4	E444 F475	E444-L477 HydrophobicContact CG-CD1 4.36Å; E444-L477 WeakPolarHBondContact OE2-CD1 3.36Å; F475-L477 PolarHBondContact O-N 2.91Å
478	L	93.7	Very high	90.5	Very high	49 Å²	49	71.8 Å²	71.8	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-80	-26.6	175.5	-59.5	-179.4	0	0	0	112.2	R264 Q265 Y268 F475 D476	R264-L478 HydrophobicContact CG-CD1 4.05Å; R264-L478 HydrophobicContact CG-CD2 4.41Å; R264-L478 HydrophobicContact CG-CG 4.1Å; Q265-L478 HydrophobicContact CG-CD2 3.77Å; Y268-L478 VanDerWaalsContact CB-CD1 3.48Å; Y268-L478 HydrophobicContact CD1-CD1 4.27Å; Y268-L478 HydrophobicContact CD2-CD1 4.02Å; Y268-L478 HydrophobicContact CG-CD1 3.66Å; F475-L478 HydrophobicContact CD1-CD1 4.05Å; F475-L478 WeakPolarHBondContact O-CB 3.49Å; F475-L478 PolarHBondContact O-N 2.78Å; D476-L478 PolarHBondContact O-N 3.45Å
479	K	82.3	Confident	89.9	Confident	93 Å²	93	69.8 Å²	69.8	40%	0.404	33%	0.332	S	S	.	.	H	α-helix	trans	-81.1	-18.7	-178.2	-62.4	177.6	-177.2	171.3	0	113.1	L470 D476 K481	L470-K479 PolarHBondContact O-NZ 3.41Å; D476-K479 PolarHBondContact O-N 2.93Å; K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.4Å
480	K	63.9	Low	89.1	Confident	168 Å²	168	75.7 Å²	75.7	73%	0.73	36%	0.359	S	S	*	.			trans	-86.4	31.5	-175.4	-70.5	-177.6	178.7	177.1	0	114.1
481	K	47.2	Very low	88.3	Confident	239 Å²	239	81 Å²	81	100%	1.039	38%	0.384	S	S	*	.			trans	-111.1	0	179.8	-82.4	-171.6	176.1	-178.8	0	112.8	K479	K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.4Å

Retrieved 481 of 481 residues in 434.1 ms (Link to these results)

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