G4M0W7_SCHMA Loading...

Family C48 unassigned peptidase (C48 family)

AlphaFold DB , UniProt , Accession G4M0W7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	30.2	Very low	246 Å²	246	171.5 Å²	171.5	100%	1.212	87%	0.87	S	S	*	*				0	124.7	0	-69.5	179.8	-176.1	0	0	106.4	E3	M1-E3 PolarHBondContact O-N 2.95Å
2	K	28.2	Very low	30	Very low	205 Å²	205	164.3 Å²	164.3	89%	0.891	86%	0.856	S	S	*	*			trans	-73.6	122.8	-169.9	-79.8	179.6	172.4	-179.3	0	110.6	T4	K2-T4 PolarHBondContact O-N 3.14Å
3	E	30.8	Very low	29.9	Very low	191 Å²	191	161.5 Å²	161.5	89%	0.893	85%	0.854	S	S	*	*			trans	-62.4	119.5	166.4	-74.6	174.1	149.7	0	0	108.7	M1	M1-E3 PolarHBondContact O-N 2.95Å
4	T	37.5	Very low	29.6	Very low	125 Å²	125	161.6 Å²	161.6	77%	0.767	85%	0.854	S	S	*	*			trans	-87.3	109.4	175.2	50	0	0	0	0	108.7	K2 A6	K2-T4 PolarHBondContact O-N 3.14Å; T4-A6 PolarHBondContact O-N 3Å
5	E	32.7	Very low	29.7	Very low	201 Å²	201	158 Å²	158	94%	0.939	84%	0.843	S	S	*	*			trans	-65.3	74.5	160.9	-67	178.9	157.6	0	0	109.4	G7	E5-G7 PolarHBondContact O-N 3.44Å
6	A	34.6	Very low	29.5	Very low	85 Å²	85	156.1 Å²	156.1	70%	0.702	84%	0.839	S	S	*	*			trans	-95.5	90.4	171	0	0	0	0	0	108.3	T4	T4-A6 PolarHBondContact O-N 3Å
7	G	30.2	Very low	29.5	Very low	61 Å²	61	152.7 Å²	152.7	63%	0.629	83%	0.829	S	S	*	*			trans	-54.4	147.6	175.3	0	0	0	0	0	113	E5 C9	E5-G7 PolarHBondContact O-N 3.44Å; G7-C9 PolarHBondContact O-N 3.19Å; G7-C9 VanDerWaalsContact O-N 3.11Å
8	F	27.4	Very low	29.4	Very low	200 Å²	200	152.3 Å²	152.3	88%	0.877	83%	0.826	S	S	*	*			trans	-54.7	110.5	173	-79.8	-100.7	0	0	0	110.7	F10	F8-F10 PolarHBondContact O-N 2.66Å; F8-F10 VanDerWaalsContact O-N 3.08Å
9	C	26.9	Very low	29.5	Very low	126 Å²	126	152.9 Å²	152.9	85%	0.851	83%	0.828	S	S	*	*			trans	-69.9	101	167.8	-75.3	0	0	0	0	109.6	G7 R11	G7-C9 PolarHBondContact O-N 3.19Å; G7-C9 VanDerWaalsContact O-N 3.11Å; C9-R11 PolarHBondContact O-N 3.47Å; C9-R11 VanDerWaalsContact O-N 3.13Å
10	F	26.2	Very low	29.4	Very low	201 Å²	201	155.1 Å²	155.1	88%	0.882	83%	0.832	S	S	*	*			trans	-59.3	108.5	160.5	-78.7	-94.2	0	0	0	108.6	F8 A12	F8-F10 PolarHBondContact O-N 2.66Å; F8-F10 VanDerWaalsContact O-N 3.08Å; F10-A12 PolarHBondContact O-N 2.9Å
11	R	26.3	Very low	29.4	Very low	246 Å²	246	150.5 Å²	150.5	93%	0.928	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.8	117.7	164.9	-105	-178.4	176.5	179.2	-0.8	107.9	C9	C9-R11 PolarHBondContact O-N 3.47Å; C9-R11 VanDerWaalsContact O-N 3.13Å
12	A	27.6	Very low	29.3	Very low	85 Å²	85	147.1 Å²	147.1	70%	0.702	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-54.1	148.8	-179.7	0	0	0	0	0	112.8	F10	F10-A12 PolarHBondContact O-N 2.9Å
13	P	29.2	Very low	29.3	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.1	135.4	177.7	8.8	-2.8	0	0	0	111.2
14	L	25.8	Very low	29.2	Very low	164 Å²	164	139.9 Å²	139.9	86%	0.859	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-61.5	142.4	173.2	-78.9	159.6	0	0	0	110.4
15	P	30.9	Very low	28.7	Very low	107 Å²	107	142.4 Å²	142.4	70%	0.695	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.9	133.3	-173.9	20.5	-23.7	0	0	0	111.8	C17	P15-C17 PolarHBondContact O-N 2.99Å
16	V	27.3	Very low	28.5	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	80%	0.8	S	S	*	*			trans	-67.3	106	167.4	179.2	0	0	0	0	106.8	D18	V16-D18 PolarHBondContact O-N 2.77Å
17	C	29.5	Very low	28.2	Very low	99 Å²	99	150.2 Å²	150.2	67%	0.669	81%	0.808	S	S	*	*			trans	-83.5	106.2	168.9	-69.6	0	0	0	0	108.2	P15 L19	P15-C17 PolarHBondContact O-N 2.99Å; C17-L19 PolarHBondContact O-N 3.01Å
18	D	28	Very low	28.2	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	81%	0.811	S	S	*	*			trans	-62.4	99.2	166	-71.3	-39	0	0	0	108.8	V16 E20	V16-D18 PolarHBondContact O-N 2.77Å; D18-E20 PolarHBondContact O-N 2.79Å
19	L	30.1	Very low	28.2	Very low	164 Å²	164	150.1 Å²	150.1	86%	0.859	81%	0.807	S	S	*	*			trans	-95.4	77.2	170	-75.5	165	0	0	0	108.3	C17 G21	C17-L19 PolarHBondContact O-N 3.01Å; L19-G21 PolarHBondContact O-N 3.37Å
20	E	28.2	Very low	28.4	Very low	196 Å²	196	153.2 Å²	153.2	92%	0.916	81%	0.806	S	S	*	*			trans	-71.9	105.7	155.6	-75.4	-175	158.6	0	0	107.9	D18	D18-E20 PolarHBondContact O-N 2.79Å
21	G	29.8	Very low	28.5	Very low	58 Å²	58	154.9 Å²	154.9	60%	0.598	81%	0.807	S	S	*	*			trans	170	97.2	175.8	0	0	0	0	0	112.4	L19 V23	L19-G21 PolarHBondContact O-N 3.37Å; G21-V23 PolarHBondContact O-N 3.43Å
22	D	27.5	Very low	28.5	Very low	176 Å²	176	151 Å²	151	94%	0.941	80%	0.803	S	S	*	*			trans	-56.8	102.2	167.6	-75.9	-43.8	0	0	0	110
23	V	29.3	Very low	28.6	Very low	131 Å²	131	155.9 Å²	155.9	79%	0.794	81%	0.809	S	S	*	*			trans	-121.1	132	170.6	-177	0	0	0	0	109.6	G21	G21-V23 PolarHBondContact O-N 3.43Å
24	P	28.7	Very low	28.7	Very low	113 Å²	113	157.4 Å²	157.4	73%	0.734	81%	0.809	S	S	*	*			trans	-76.7	145.4	-158.8	-10.8	28.4	0	0	0	113	Y26	P24-Y26 PolarHBondContact O-N 3.43Å
25	L	26.8	Very low	28.8	Very low	178 Å²	178	155.1 Å²	155.1	93%	0.932	81%	0.805	S	S	*	*			trans	-44.4	87.7	170.6	-76.6	150.4	0	0	0	113	R27	L25-R27 PolarHBondContact O-N 3.4Å
26	Y	28.3	Very low	28.9	Very low	219 Å²	219	154.2 Å²	154.2	86%	0.859	80%	0.802	S	S	*	*			trans	-84.3	114.3	166.1	-137	-95.8	0	0	0	109.5	P24 D28	P24-Y26 PolarHBondContact O-N 3.43Å; Y26-D28 PolarHBondContact O-N 2.92Å
27	R	28.4	Very low	29.4	Very low	230 Å²	230	152.4 Å²	152.4	87%	0.868	80%	0.795	S	S	*	*			trans	-66.6	103.7	179.1	-68.9	172.9	172.3	176.8	-2.7	110.2	L25	L25-R27 PolarHBondContact O-N 3.4Å
28	D	29.6	Very low	29.7	Very low	129 Å²	129	157.9 Å²	157.9	69%	0.69	80%	0.802	S	S	*	*			trans	-132.9	56.5	166.4	-113.4	-25	0	0	0	112.4	Y26 K30	Y26-D28 PolarHBondContact O-N 2.92Å; D28-K30 PolarHBondContact O-N 3.37Å; D28-K30 VanDerWaalsContact O-N 3.08Å
29	T	28.6	Very low	30	Very low	130 Å²	130	155.3 Å²	155.3	80%	0.798	79%	0.791	S	S	*	*			trans	-79	32.6	171.9	47.3	0	0	0	0	113.2	R31	T29-R31 VanDerWaalsContact C-N 3.34Å; T29-R31 PolarHBondContact O-N 2.84Å
30	K	31.1	Very low	30.4	Very low	192 Å²	192	151.1 Å²	151.1	84%	0.835	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-2	178.8	-97.8	-176.7	179.2	176.2	0	115.2	D28	D28-K30 PolarHBondContact O-N 3.37Å; D28-K30 VanDerWaalsContact O-N 3.08Å
31	R	28.6	Very low	31	Very low	235 Å²	235	145 Å²	145	89%	0.887	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-4.4	-175.8	-126.4	176.6	-177.4	-178.7	0.3	117.4	T29	T29-R31 VanDerWaalsContact C-N 3.34Å; T29-R31 PolarHBondContact O-N 2.84Å
32	L	26.2	Very low	31.4	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	75%	0.751	S	S	*	*	S	Bend	trans	-101.9	-0.9	178.7	-102.5	96	0	0	0	116.2	L34	L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.37Å
33	K	29.8	Very low	31.6	Very low	188 Å²	188	146.3 Å²	146.3	82%	0.817	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	3.5	-178.4	-79.8	-168.2	175.8	-177.1	0	116
34	L	30.6	Very low	32	Very low	159 Å²	159	146 Å²	146	83%	0.832	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-8	-173.9	-136.8	77.8	0	0	0	116.4	L32	L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.37Å
35	C	28.4	Very low	32.6	Very low	115 Å²	115	150 Å²	150	78%	0.777	73%	0.729	S	S	*	*	S	Bend	trans	-105	-6.2	-178.6	-76.4	0	0	0	0	115.8
36	S	32.8	Very low	33.2	Very low	88 Å²	88	146.9 Å²	146.9	62%	0.615	71%	0.712	S	S	*	*	S	Bend	trans	-89.6	-25.7	-179.5	-177.6	0	0	0	0	114.1	R38	S36-R38 PolarHBondContact O-N 2.87Å
37	S	36.6	Very low	33.4	Very low	90 Å²	90	144.4 Å²	144.4	63%	0.629	71%	0.706	S	S	*	*	H	α-helix	trans	-79.6	-15.3	-173.2	84.6	0	0	0	0	115.1
38	R	36.4	Very low	34	Very low	214 Å²	214	138 Å²	138	81%	0.808	69%	0.689	S	S	*	*	H	α-helix	trans	-82.5	-24.8	178	-102.7	178.1	168.3	173.6	-3.8	114	S36	S36-R38 PolarHBondContact O-N 2.87Å
39	V	34.2	Very low	34.4	Very low	91 Å²	91	141.8 Å²	141.8	55%	0.552	69%	0.694	S	S	*	*	H	α-helix	trans	-81.3	-38.9	-179.9	-177	0	0	0	0	111	S41 V42 Y43	V39-S41 PolarHBondContact O-N 2.71Å; V39-V42 PolarHBondContact O-N 3.39Å; V39-Y43 HydrophobicContact CG1-CD2 4.35Å; V39-Y43 HydrophobicContact CG1-CE2 4.35Å
40	S	38.1	Very low	34.7	Very low	77 Å²	77	142.5 Å²	142.5	54%	0.538	69%	0.692	S	S	.	*	H	α-helix	trans	-70.2	-28.5	178.6	-57.8	0	0	0	0	113.7	V42 E44	S40-V42 VanDerWaalsContact C-N 3.32Å; S40-V42 PolarHBondContact O-N 3.34Å; S40-E44 PolarHBondContact O-N 2.95Å
41	S	40.7	Very low	34.8	Very low	67 Å²	67	137.8 Å²	137.8	47%	0.469	68%	0.684	S	S	.	*	H	α-helix	trans	-71.9	-23	178.9	178.7	0	0	0	0	113.8	V39	V39-S41 PolarHBondContact O-N 2.71Å
42	V	38.7	Very low	35	Very low	88 Å²	88	136.9 Å²	136.9	53%	0.533	68%	0.68	S	S	.	*	H	α-helix	trans	-81.1	-40.3	178.3	178	0	0	0	0	110.5	V39 S40 R45 I46	V39-V42 PolarHBondContact O-N 3.39Å; S40-V42 VanDerWaalsContact C-N 3.32Å; S40-V42 PolarHBondContact O-N 3.34Å; V42-R45 PolarHBondContact O-N 2.97Å; V42-I46 HydrophobicContact CG1-CD1 4.18Å; V42-I46 PolarHBondContact O-N 2.98Å
43	Y	31.2	Very low	35.3	Very low	173 Å²	173	136.3 Å²	136.3	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-66	-42	179.2	-87	-82.6	0	0	0	112.9	V39 R45 I46 F47	V39-Y43 HydrophobicContact CG1-CD2 4.35Å; V39-Y43 HydrophobicContact CG1-CE2 4.35Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 3.33Å; Y43-I46 PolarHBondContact O-N 3.46Å; Y43-F47 PolarHBondContact O-N 3.34Å
44	E	39.1	Very low	35.4	Very low	124 Å²	124	135.8 Å²	135.8	58%	0.579	68%	0.683	S	S	*	*	H	α-helix	trans	-64.7	-31.1	176.1	-94	-74.6	157.8	0	0	113.1	S40 N48	S40-E44 PolarHBondContact O-N 2.95Å; E44-N48 PolarHBondContact O-N 3.21Å; E44-N48 PolarHBondContact O-ND2 3.17Å; E44-N48 PolarHBondContact OE2-ND2 2.84Å
45	R	40.9	Very low	35.2	Very low	197 Å²	197	133.6 Å²	133.6	74%	0.743	68%	0.682	S	S	*	*	H	α-helix	trans	-76.9	-29.5	-178.3	-138	178.5	-136	163.2	4.7	113.1	V42 Y43	V42-R45 PolarHBondContact O-N 2.97Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 3.33Å
46	I	38.3	Very low	35.2	Very low	114 Å²	114	131.6 Å²	131.6	59%	0.585	68%	0.681	S	S	*	*	H	α-helix	trans	-76.5	-39.8	177.1	-64.7	172.4	0	0	0	109.9	V42 Y43	V42-I46 HydrophobicContact CG1-CD1 4.18Å; V42-I46 PolarHBondContact O-N 2.98Å; Y43-I46 PolarHBondContact O-N 3.46Å
47	F	34.1	Very low	34.9	Very low	167 Å²	167	137 Å²	137	73%	0.732	69%	0.693	S	S	*	*	H	α-helix	trans	-70.9	-37.8	-178.1	-129.2	-90.2	0	0	0	113.1	Y43 R49	Y43-F47 PolarHBondContact O-N 3.34Å; F47-R49 VanDerWaalsContact C-N 3.3Å; F47-R49 PolarHBondContact O-N 2.91Å
48	N	41.1	Very low	34.6	Very low	94 Å²	94	142.3 Å²	142.3	50%	0.503	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-5.9	-178	-77.2	-41.5	0	0	0	115.4	E44	E44-N48 PolarHBondContact O-N 3.21Å; E44-N48 PolarHBondContact O-ND2 3.17Å; E44-N48 PolarHBondContact OE2-ND2 2.84Å
49	R	36.7	Very low	34.1	Very low	209 Å²	209	141.5 Å²	141.5	79%	0.789	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-20.2	178	-143.9	170.1	-178.8	163.8	-1.3	113.1	F47	F47-R49 VanDerWaalsContact C-N 3.3Å; F47-R49 PolarHBondContact O-N 2.91Å
50	N	35.9	Very low	33.6	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	72%	0.716	S	S	*	*	S	Bend	trans	-93.3	-1.1	-179.6	-72.2	-14.3	0	0	0	114.5
51	S	33.5	Very low	33.2	Very low	94 Å²	94	145.9 Å²	145.9	66%	0.657	73%	0.732	S	S	*	*	S	Bend	trans	-104.9	13.3	-177	-61.9	0	0	0	0	114.8
52	R	31.2	Very low	32.3	Very low	215 Å²	215	150 Å²	150	81%	0.811	75%	0.749	S	S	*	*	S	Bend	trans	-112	-0.4	-176.7	-78.6	-168.8	-179.3	-178.9	1.2	117.7
53	D	33.8	Very low	31.8	Very low	153 Å²	153	152 Å²	152	82%	0.818	76%	0.761	S	S	*	*	S	Bend	trans	-112.1	17.6	-175.5	-75.3	-26	0	0	0	115.9
54	L	30.3	Very low	31.4	Very low	177 Å²	177	149 Å²	149	93%	0.927	76%	0.762	S	S	*	*			trans	-123	59.3	176.3	-66.3	172.3	0	0	0	112.2
55	S	27.6	Very low	30.6	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	77%	0.766	S	S	*	*			trans	-142.2	62.9	164.4	73.1	0	0	0	0	111
56	G	28.7	Very low	29.9	Very low	73 Å²	73	146.3 Å²	146.3	75%	0.753	77%	0.765	S	S	*	*			trans	-112	89.5	176.4	0	0	0	0	0	111.8
57	K	26.3	Very low	29.4	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	77%	0.772	S	S	*	*			trans	11	107.9	154.2	-66.2	171.8	176.9	171.2	0	117.3
58	E	29	Very low	28.8	Very low	201 Å²	201	142.4 Å²	142.4	94%	0.939	77%	0.767	S	S	*	*			trans	-118.3	124.9	146.1	-85.4	-170.3	160.2	0	0	110.3
59	K	27.5	Very low	28.1	Very low	197 Å²	197	149.4 Å²	149.4	86%	0.857	79%	0.788	S	S	*	*			trans	-78.4	135.7	-175.3	-77	173.7	171.2	177.5	0	109.7
60	S	23.8	Very low	27.5	Very low	97 Å²	97	145 Å²	145	68%	0.678	79%	0.789	S	S	*	*			trans	-43.9	134.4	159	54.3	0	0	0	0	112.7
61	N	27.8	Very low	27.1	Very low	164 Å²	164	146.7 Å²	146.7	88%	0.877	80%	0.797	S	S	*	*			trans	-147.7	116.7	144.3	-90.1	-23	0	0	0	109.3
62	N	22.3	Very low	26.7	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	79%	0.79	S	S	*	*			trans	-74.1	136.2	173.6	-68.9	-35.9	0	0	0	110.2
63	T	28	Very low	26.4	Very low	130 Å²	130	141.8 Å²	141.8	80%	0.798	79%	0.791	S	S	*	*			trans	-164.2	96.5	149.3	-7.9	0	0	0	0	107.8
64	T	23.5	Very low	26	Very low	112 Å²	112	142.8 Å²	142.8	69%	0.687	80%	0.796	S	S	*	*				74.6	107.5	89.1	-47.6	0	0	0	0	113.3
65	T	23	Very low	25.7	Very low	109 Å²	109	142.4 Å²	142.4	67%	0.669	79%	0.793	S	S	*	*			trans	57.3	121.3	144.7	61.7	0	0	0	0	120.2
66	H	26.6	Very low	25.5	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.718	79%	0.79	S	S	*	*				175.1	142.3	97.9	-110.6	-78.5	0	0	0	111.7
67	N	27	Very low	25.3	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	80%	0.795	S	S	*	*			trans	55.9	104	150.4	-55.4	-15.3	0	0	0	116.6
68	G	21.9	Very low	25.1	Very low	62 Å²	62	140.7 Å²	140.7	64%	0.639	79%	0.787	S	S	*	*				85.5	97.8	54.3	0	0	0	0	0	109
69	Y	25.7	Very low	24.8	Very low	241 Å²	241	136 Å²	136	95%	0.945	78%	0.777	S	S	*	*			trans	-164.4	107.8	137.4	-87.1	-66	0	0	0	107.8
70	S	24.1	Very low	24.6	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	78%	0.776	S	S	*	*			trans	-73.3	117.6	174	175.4	0	0	0	0	108.8
71	L	27.5	Very low	24.7	Very low	182 Å²	182	137.8 Å²	137.8	95%	0.953	78%	0.779	S	S	*	*			trans	-99.6	92	157.2	-139.9	86.7	0	0	0	106.9
72	G	24.3	Very low	24.6	Very low	48 Å²	48	134.5 Å²	134.5	50%	0.495	78%	0.775	S	S	.	*			trans	-72.3	145.4	173.9	0	0	0	0	0	111.9
73	N	25.2	Very low	24.7	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	78%	0.778	S	S	*	*			trans	55.1	115.7	139.6	-59.4	-16.5	0	0	0	118.4
74	L	26.3	Very low	24.7	Very low	175 Å²	175	135.5 Å²	135.5	92%	0.916	77%	0.774	S	S	*	*			trans	-179.6	75.5	131.4	-93.3	154.8	0	0	0	108.8
75	L	23	Very low	24.8	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	78%	0.784	S	S	*	*			trans	-125.4	120	157.6	-83	170.9	0	0	0	107.9	S77	L75-S77 PolarHBondContact O-N 2.91Å
76	P	23.8	Very low	24.9	Very low	113 Å²	113	143 Å²	143	73%	0.734	80%	0.796	S	S	*	*			trans	-70.6	128	-173.9	2.7	9.3	0	0	0	110.6	V78	P76-V78 PolarHBondContact O-N 3.41Å; P76-V78 VanDerWaalsContact O-N 3.07Å
77	S	24.1	Very low	24.9	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	79%	0.79	S	S	*	*			trans	-66.1	96.2	165.7	54.5	0	0	0	0	110	L75 S79	L75-S77 PolarHBondContact O-N 2.91Å; S77-S79 PolarHBondContact O-N 2.91Å
78	V	22.1	Very low	24.8	Very low	117 Å²	117	139.7 Å²	139.7	71%	0.709	80%	0.797	S	S	*	*			trans	-87.1	102.8	167	-178.6	0	0	0	0	108.1	P76 L80	P76-V78 PolarHBondContact O-N 3.41Å; P76-V78 VanDerWaalsContact O-N 3.07Å; V78-L80 HydrophobicContact CG1-CD1 4.39Å; V78-L80 PolarHBondContact O-N 2.97Å; V78-L80 VanDerWaalsContact O-N 3.12Å
79	S	23.6	Very low	24.9	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	81%	0.809	S	S	*	*			trans	-62.9	101.6	170.3	175.9	0	0	0	0	109.5	S77 K81	S77-S79 PolarHBondContact O-N 2.91Å; S79-K81 PolarHBondContact O-N 3.33Å
80	L	23.4	Very low	24.9	Very low	161 Å²	161	138.1 Å²	138.1	84%	0.843	80%	0.804	S	S	*	*			trans	-77.8	98.5	166.3	-106.2	92.4	0	0	0	108.4	V78 A82	V78-L80 HydrophobicContact CG1-CD1 4.39Å; V78-L80 PolarHBondContact O-N 2.97Å; V78-L80 VanDerWaalsContact O-N 3.12Å; L80-A82 PolarHBondContact O-N 3.08Å
81	K	26.2	Very low	24.9	Very low	171 Å²	171	141.1 Å²	141.1	74%	0.743	80%	0.804	S	S	*	*			trans	-54.9	131.3	165.8	-80.2	177.1	174.1	176.2	0	109.9	S79 F83	S79-K81 PolarHBondContact O-N 3.33Å; K81-F83 PolarHBondContact O-N 3.07Å
82	A	24.6	Very low	24.7	Very low	96 Å²	96	143.4 Å²	143.4	79%	0.793	80%	0.802	S	S	*	*			trans	-51.5	112.5	173.8	0	0	0	0	0	111.6	L80	L80-A82 PolarHBondContact O-N 3.08Å
83	F	25.6	Very low	24.6	Very low	201 Å²	201	150.9 Å²	150.9	88%	0.882	82%	0.821	S	S	*	*			trans	-96.7	99.1	158.7	-84.2	-81.3	0	0	0	108.5	K81 R85	K81-F83 PolarHBondContact O-N 3.07Å; F83-R85 PolarHBondContact O-N 2.8Å
84	S	26.7	Very low	24.6	Very low	102 Å²	102	151.6 Å²	151.6	71%	0.713	82%	0.824	S	S	*	*			trans	-65.9	108.8	161.1	38.7	0	0	0	0	109.5
85	R	27.3	Very low	24.5	Very low	238 Å²	238	152.4 Å²	152.4	90%	0.898	82%	0.823	S	S	*	*			trans	-178	111.8	143.3	-99	159	-172.6	-151	0.7	109.9	F83 G87	F83-R85 PolarHBondContact O-N 2.8Å; R85-G87 PolarHBondContact O-N 3.29Å
86	P	24.7	Very low	24.6	Very low	141 Å²	141	150 Å²	150	92%	0.916	82%	0.82	S	S	*	*			trans	-82.1	110	178.5	30.2	-28.5	0	0	0	109.7
87	G	25.2	Very low	24.6	Very low	57 Å²	57	154.2 Å²	154.2	59%	0.588	83%	0.828	S	S	*	*			trans	148.8	77.9	171.6	0	0	0	0	0	111.1	R85	R85-G87 PolarHBondContact O-N 3.29Å
88	D	25.4	Very low	24.6	Very low	165 Å²	165	155 Å²	155	88%	0.882	83%	0.827	S	S	*	*			trans	177.7	39.4	153.8	-85.2	-19.6	0	0	0	112.6	C90	D88-C90 VanDerWaalsContact C-N 3.29Å; D88-C90 PolarHBondContact O-N 3.21Å
89	V	24.7	Very low	24.8	Very low	148 Å²	148	154.7 Å²	154.7	90%	0.897	83%	0.83	S	S	*	*			trans	-84.4	6.9	-177.5	-175.2	0	0	0	0	113.6
90	C	24.9	Very low	25	Very low	122 Å²	122	157.6 Å²	157.6	82%	0.824	84%	0.837	S	S	*	*			trans	-113.2	69.9	179.6	-86.3	0	0	0	0	112.5	D88	D88-C90 VanDerWaalsContact C-N 3.29Å; D88-C90 PolarHBondContact O-N 3.21Å
91	H	24.3	Very low	25	Very low	177 Å²	177	158.2 Å²	158.2	82%	0.819	84%	0.841	S	S	*	*			trans	-154.5	19	163.5	-129.5	-76.9	0	0	0	117.9
92	Y	24	Very low	24.9	Very low	231 Å²	231	161.4 Å²	161.4	91%	0.906	85%	0.849	S	S	*	*	S	Bend	trans	-105.5	19.5	-171.3	-133.3	-90.3	0	0	0	117.2
93	F	22.7	Very low	25	Very low	205 Å²	205	162.9 Å²	162.9	90%	0.899	85%	0.848	S	S	*	*	S	Bend	trans	-127.2	15.6	-175.1	-117.7	-85.9	0	0	0	118
94	L	24.4	Very low	24.8	Very low	171 Å²	171	163.6 Å²	163.6	90%	0.895	85%	0.846	S	S	*	*	S	Bend	trans	-126	20.2	-175	-79.6	172.5	0	0	0	117.4
95	Q	24.6	Very low	24.6	Very low	193 Å²	193	164.4 Å²	164.4	90%	0.902	85%	0.852	S	S	*	*			trans	-127.4	42.7	-173.8	-152.3	162	-2.9	0	0	116.8
96	S	24.1	Very low	24.6	Very low	116 Å²	116	160.6 Å²	160.6	81%	0.811	85%	0.845	S	S	*	*	S	Bend	trans	-118.2	15.9	173.6	-61.8	0	0	0	0	116.3
97	F	23.5	Very low	24.4	Very low	203 Å²	203	164 Å²	164	89%	0.89	85%	0.845	S	S	*	*	S	Bend	trans	-129.5	34.7	-179.1	-87.5	-72.4	0	0	0	115.8
98	V	25.9	Very low	24.4	Very low	139 Å²	139	170.6 Å²	170.6	84%	0.842	86%	0.863	S	S	*	*			trans	-151.6	106.5	163.8	-171.5	0	0	0	0	108.9
99	S	25.9	Very low	24.3	Very low	109 Å²	109	174.6 Å²	174.6	76%	0.762	87%	0.866	S	S	*	*			trans	160.4	85.5	149.2	-74.9	0	0	0	0	110
100	N	26.4	Very low	24.2	Very low	164 Å²	164	177 Å²	177	88%	0.877	87%	0.867	S	S	*	*			trans	-169.6	65.4	154.1	-95.8	-14.6	0	0	0	109.5
101	N	23.6	Very low	24.1	Very low	173 Å²	173	176.7 Å²	176.7	93%	0.925	87%	0.867	S	S	*	*			trans	-127.6	77.5	165.3	-84.8	-26.4	0	0	0	107.9
102	R	25.1	Very low	23.9	Very low	238 Å²	238	173.5 Å²	173.5	90%	0.898	86%	0.864	S	S	*	*			trans	-109	108.8	167.1	-96.6	-176.6	175.4	177.1	-1	109
103	T	25.8	Very low	24	Very low	127 Å²	127	169.2 Å²	169.2	78%	0.779	86%	0.862	S	S	*	*			trans	45.2	99.3	140	50	0	0	0	0	118
104	Y	22.8	Very low	23.9	Very low	216 Å²	216	169.1 Å²	169.1	85%	0.847	86%	0.861	S	S	*	*			trans	-127.2	105.5	147.1	-141.9	-96.3	0	0	0	108
105	S	20.9	Very low	23.8	Very low	120 Å²	120	166.6 Å²	166.6	84%	0.839	86%	0.858	S	S	*	*			trans	-125.6	97.2	179.6	-168.7	0	0	0	0	107.1
106	Q	27.1	Very low	23.6	Very low	158 Å²	158	162.5 Å²	162.5	74%	0.738	85%	0.851	S	S	*	*			trans	-144.6	104	169.5	-99.6	-179	-12.8	0	0	110.8
107	K	22.2	Very low	23.5	Very low	211 Å²	211	163.2 Å²	163.2	92%	0.917	85%	0.85	S	S	*	*			trans	5.1	117.7	148.6	-69.9	171.2	173.3	175.3	0	117
108	M	24.8	Very low	23.6	Very low	197 Å²	197	159.8 Å²	159.8	97%	0.97	85%	0.848	S	S	*	*			trans	-126.7	139.9	147.1	-87	-165.4	-175.6	0	0	110.9
109	R	23.8	Very low	23.4	Very low	248 Å²	248	162.9 Å²	162.9	94%	0.936	85%	0.851	S	S	*	*			trans	-72.8	149.4	-167.8	-78	174.5	159.6	-177.5	-6	112.6
110	Q	21.1	Very low	23.4	Very low	199 Å²	199	164.5 Å²	164.5	93%	0.93	85%	0.851	S	S	*	*			trans	-60.7	132.5	170.7	-66.6	165.3	-18.9	0	0	111.5
111	S	23.5	Very low	23.2	Very low	116 Å²	116	159.9 Å²	159.9	81%	0.811	84%	0.842	S	S	*	*			trans	-136.3	109.6	152.8	59.1	0	0	0	0	108.2
112	S	20.9	Very low	23.3	Very low	110 Å²	110	160 Å²	160	77%	0.769	84%	0.836	S	S	*	*			trans	-75.5	122.2	176.2	49.5	0	0	0	0	111.1
113	V	24.8	Very low	23.3	Very low	141 Å²	141	155 Å²	155	86%	0.855	83%	0.832	S	S	*	*			trans	-139.2	121.2	155.6	-174.8	0	0	0	0	108
114	F	20.3	Very low	23.1	Very low	202 Å²	202	158.8 Å²	158.8	89%	0.886	84%	0.838	S	S	*	*			trans	-64.1	135.2	175.5	-85.1	-106.5	0	0	0	111.6
115	S	21.9	Very low	23.3	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	84%	0.835	S	S	*	*			trans	-158.4	138.6	134.1	71.9	0	0	0	0	110.7
116	S	21.1	Very low	23.6	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	83%	0.831	S	S	*	*			trans	-72.9	134.5	-175.6	46.8	0	0	0	0	113.4
117	T	22.8	Very low	23.7	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	83%	0.829	S	S	*	*			trans	-169.7	137.8	132.8	25.2	0	0	0	0	109.6	F119	T117-F119 PolarHBondContact O-N 3.09Å
118	P	23.9	Very low	24	Very low	131 Å²	131	152 Å²	152	85%	0.851	83%	0.829	S	S	*	*			trans	-78.5	112.2	-173.2	1.6	15.6	0	0	0	110.3	N120	P118-N120 PolarHBondContact O-N 3.09Å
119	F	22.8	Very low	24.4	Very low	205 Å²	205	150.8 Å²	150.8	90%	0.899	82%	0.818	S	S	*	*			trans	-76.8	114.6	174.7	-134.3	-92.5	0	0	0	109.3	T117 G121	T117-F119 PolarHBondContact O-N 3.09Å; F119-G121 PolarHBondContact O-N 2.98Å
120	N	25.1	Very low	25	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	81%	0.814	S	S	*	*			trans	-65.7	124.2	174.8	-137.2	20.8	0	0	0	109.2	P118 H122	P118-N120 PolarHBondContact O-N 3.09Å; N120-H122 PolarHBondContact O-N 3.01Å
121	G	22.3	Very low	25.7	Very low	67 Å²	67	145.5 Å²	145.5	69%	0.691	81%	0.809	S	S	*	*			trans	-69.8	115.3	-176.7	0	0	0	0	0	112.2	F119	F119-G121 PolarHBondContact O-N 2.98Å
122	H	26.4	Very low	26.4	Very low	175 Å²	175	143.4 Å²	143.4	81%	0.81	79%	0.788	S	S	*	*			trans	-109.6	106.7	152.3	-80.5	-65.5	0	0	0	108.7	N120 K124	N120-H122 PolarHBondContact O-N 3.01Å; H122-K124 PolarHBondContact O-N 3.1Å
123	T	25.3	Very low	27.7	Very low	133 Å²	133	141.5 Å²	141.5	82%	0.816	77%	0.774	S	S	*	*			trans	-54.5	116	173.1	31.6	0	0	0	0	110.6	S125	T123-S125 PolarHBondContact O-N 3.49Å
124	K	22.2	Very low	29.1	Very low	208 Å²	208	138.8 Å²	138.8	90%	0.904	76%	0.762	S	S	*	*			trans	-67	90.8	164.5	-75.8	177.9	175	175	0	109	H122 S126	H122-K124 PolarHBondContact O-N 3.1Å; K124-S126 PolarHBondContact O-N 3.47Å
125	S	26.1	Very low	30.2	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	74%	0.74	S	S	*	*			trans	-81.3	96.2	164.2	58.8	0	0	0	0	109.2	T123 L127	T123-S125 PolarHBondContact O-N 3.49Å; S125-L127 PolarHBondContact O-N 3.09Å; S125-L127 VanDerWaalsContact O-N 3.12Å
126	S	26.4	Very low	31.5	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	73%	0.733	S	S	*	*			trans	-66.6	97.2	167.1	165.8	0	0	0	0	109.9	K124	K124-S126 PolarHBondContact O-N 3.47Å
127	L	30.5	Very low	33.2	Very low	133 Å²	133	135.7 Å²	135.7	70%	0.696	72%	0.717	S	S	*	*			trans	-134.4	74.7	162.8	-89.7	161.5	0	0	0	109.7	S125 K129	S125-L127 PolarHBondContact O-N 3.09Å; S125-L127 VanDerWaalsContact O-N 3.12Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 HydrophobicContact CD2-CD 4.14Å; L127-K129 HydrophobicContact CD2-CG 4.29Å; L127-K129 PolarHBondContact O-N 2.75Å
128	K	28.2	Very low	35.2	Very low	208 Å²	208	132.7 Å²	132.7	90%	0.904	70%	0.696	S	S	*	*			trans	-65.7	87.9	155.3	-76.5	-178.9	175.9	-179.9	0	108
129	K	32.9	Very low	36.4	Very low	173 Å²	173	132.2 Å²	132.2	75%	0.752	68%	0.678	S	S	*	*			trans	-120.9	115.7	160.8	-76.9	-174.2	178.9	178.9	0	107.2	L127 H131	L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 HydrophobicContact CD2-CD 4.14Å; L127-K129 HydrophobicContact CD2-CG 4.29Å; L127-K129 PolarHBondContact O-N 2.75Å; K129-H131 PolarHBondContact O-N 2.81Å; K129-H131 VanDerWaalsContact O-N 3.08Å
130	N	36.1	Very low	38.1	Very low	156 Å²	156	127.4 Å²	127.4	83%	0.834	66%	0.658	S	S	*	*			trans	-45.5	115.5	175.4	-67.9	-22.4	0	0	0	109.2	I132	N130-I132 VanDerWaalsContact C-N 3.3Å; N130-I132 PolarHBondContact O-N 2.73Å
131	H	35.2	Very low	40	Very low	180 Å²	180	129.1 Å²	129.1	83%	0.833	65%	0.654	S	S	*	*			trans	-73.2	87.9	-178.8	-166.6	-74.7	0	0	0	108.6	K129 S133	K129-H131 PolarHBondContact O-N 2.81Å; K129-H131 VanDerWaalsContact O-N 3.08Å; H131-S133 PolarHBondContact O-N 3.45Å
132	I	38.8	Very low	41.3	Very low	72 Å²	72	128.6 Å²	128.6	37%	0.369	64%	0.635	S	S	.	*			trans	-65.5	121	170.5	-64	166.1	0	0	0	106.6	N130 S134 R136 Q137	N130-I132 VanDerWaalsContact C-N 3.3Å; N130-I132 PolarHBondContact O-N 2.73Å; I132-S134 PolarHBondContact O-N 3.46Å; I132-R136 HydrophobicContact CG2-CB 3.76Å; I132-R136 HydrophobicContact CG2-CG 4.29Å; I132-Q137 HydrophobicContact CB-CG 4.11Å; I132-Q137 HydrophobicContact CG2-CG 3.74Å; I132-Q137 PolarHBondContact O-NE2 2.94Å
133	S	48.8	Very low	42.6	Very low	69 Å²	69	125.9 Å²	125.9	48%	0.483	63%	0.626	S	S	.	*			trans	-45.5	137.1	175.4	179.4	0	0	0	0	110.8	H131 E135 R136 Q137	H131-S133 PolarHBondContact O-N 3.45Å; S133-E135 PolarHBondContact O-N 3.21Å; S133-E135 VanDerWaalsContact O-N 3.08Å; S133-R136 PolarHBondContact O-N 3.39Å; S133-Q137 PolarHBondContact O-N 2.86Å
134	S	53	Low	44.2	Very low	85 Å²	85	124.4 Å²	124.4	59%	0.594	61%	0.613	S	S	*	*	H	α-helix	trans	-49.9	-37.1	-178	46.4	0	0	0	0	112.1	I132 R136 Q137 I138	I132-S134 PolarHBondContact O-N 3.46Å; S134-R136 PolarHBondContact O-N 3Å; S134-Q137 PolarHBondContact O-N 2.97Å; S134-I138 WeakPolarHBondContact O-CG1 3.43Å; S134-I138 PolarHBondContact O-N 2.83Å; S134-I138 VanDerWaalsContact O-N 3.12Å
135	E	43.8	Very low	45.7	Very low	92 Å²	92	121.1 Å²	121.1	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-64.3	-41.1	179.1	-147.3	166.3	-153.7	0	0	112.2	S133 I138 Y139 R276	S133-E135 PolarHBondContact O-N 3.21Å; S133-E135 VanDerWaalsContact O-N 3.08Å; E135-I138 PolarHBondContact O-N 3.4Å; E135-Y139 HydrophobicContact CG-CE2 4.19Å; E135-Y139 WeakPolarHBondContact O-CD2 3.27Å; E135-Y139 PolarHBondContact O-N 3.27Å; E135-Y139 VanDerWaalsContact O-N 3.07Å; E135-R276 IonicContact OE1-CZ 3.71Å; E135-R276 IonicContact OE1-NH2 3.47Å; E135-R276 PolarHBondContact OE1-NH2 3.24Å
136	R	50.6	Low	46.5	Very low	183 Å²	183	118.5 Å²	118.5	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-71.8	-32.3	179.3	-154.6	179	-166.6	177.2	5	111.9	I132 S133 S134 I138 Q140	I132-R136 HydrophobicContact CG2-CB 3.76Å; I132-R136 HydrophobicContact CG2-CG 4.29Å; S133-R136 PolarHBondContact O-N 3.39Å; S134-R136 PolarHBondContact O-N 3Å; R136-I138 VanDerWaalsContact C-N 3.35Å; R136-Q140 WeakPolarHBondContact O-CB 3.26Å; R136-Q140 PolarHBondContact O-N 3.09Å
137	Q	57	Low	47.4	Very low	88 Å²	88	116.7 Å²	116.7	41%	0.411	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-37.1	171.3	-67.6	-176.9	27	0	0	112	I132 S133 S134 Q140 R141	I132-Q137 HydrophobicContact CB-CG 4.11Å; I132-Q137 HydrophobicContact CG2-CG 3.74Å; I132-Q137 PolarHBondContact O-NE2 2.94Å; S133-Q137 PolarHBondContact O-N 2.86Å; S134-Q137 PolarHBondContact O-N 2.97Å; Q137-Q140 PolarHBondContact O-N 3.36Å; Q137-R141 WeakPolarHBondContact O-CB 3.37Å; Q137-R141 WeakPolarHBondContact O-CG 3.48Å; Q137-R141 PolarHBondContact O-N 3.23Å
138	I	63.5	Low	48.1	Very low	66 Å²	66	114.3 Å²	114.3	34%	0.338	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-47.8	176.4	-67.3	163.3	0	0	0	110.4	S134 E135 R136 Q140 R141 L142	S134-I138 WeakPolarHBondContact O-CG1 3.43Å; S134-I138 PolarHBondContact O-N 2.83Å; S134-I138 VanDerWaalsContact O-N 3.12Å; E135-I138 PolarHBondContact O-N 3.4Å; R136-I138 VanDerWaalsContact C-N 3.35Å; I138-Q140 VanDerWaalsContact C-N 3.3Å; I138-Q140 PolarHBondContact O-N 2.94Å; I138-R141 PolarHBondContact O-N 3.14Å; I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 2.66Å
139	Y	48.5	Very low	48.5	Very low	121 Å²	121	112.6 Å²	112.6	48%	0.475	56%	0.558	S	S	.	*	H	α-helix	trans	-58.7	-41.7	175.4	-82.5	-70.5	0	0	0	112.6	E135 L142 L143	E135-Y139 HydrophobicContact CG-CE2 4.19Å; E135-Y139 WeakPolarHBondContact O-CD2 3.27Å; E135-Y139 PolarHBondContact O-N 3.27Å; E135-Y139 VanDerWaalsContact O-N 3.07Å; Y139-L142 PolarHBondContact O-N 3.21Å; Y139-L143 WeakPolarHBondContact O-CB 3.28Å; Y139-L143 WeakPolarHBondContact O-CG 3.37Å; Y139-L143 PolarHBondContact O-N 3.45Å
140	Q	59	Low	48.6	Very low	104 Å²	104	109 Å²	109	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-67.5	-41.2	179.8	-156.8	154.2	4.2	0	0	111.4	R136 Q137 I138 L142 L143 D144	R136-Q140 WeakPolarHBondContact O-CB 3.26Å; R136-Q140 PolarHBondContact O-N 3.09Å; Q137-Q140 PolarHBondContact O-N 3.36Å; I138-Q140 VanDerWaalsContact C-N 3.3Å; I138-Q140 PolarHBondContact O-N 2.94Å; Q140-L142 PolarHBondContact O-N 3.48Å; Q140-L143 PolarHBondContact O-N 3.02Å; Q140-D144 WeakPolarHBondContact O-CB 3.39Å; Q140-D144 VanDerWaalsContact O-CG 3.25Å; Q140-D144 PolarHBondContact O-N 3.42Å
141	R	64.5	Low	48.4	Very low	179 Å²	179	111.9 Å²	111.9	68%	0.675	55%	0.554	S	S	*	*	H	α-helix	trans	-61.6	-40.9	171.4	-76.6	-179.2	178.8	-178.7	1.5	112.7	Q137 I138 D144 K145	Q137-R141 WeakPolarHBondContact O-CB 3.37Å; Q137-R141 WeakPolarHBondContact O-CG 3.48Å; Q137-R141 PolarHBondContact O-N 3.23Å; I138-R141 PolarHBondContact O-N 3.14Å; R141-D144 PolarHBondContact O-N 2.83Å; R141-K145 WeakPolarHBondContact O-CB 3.25Å; R141-K145 PolarHBondContact O-N 3.4Å
142	L	50.7	Low	48	Very low	56 Å²	56	109.8 Å²	109.8	29%	0.293	55%	0.554	S	S	.	*	H	α-helix	trans	-64.7	-40.7	176.7	-77.3	167.4	0	0	0	111.5	I138 Y139 Q140 K145 A146	I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 WeakPolarHBondContact O-CG 3.38Å; I138-L142 PolarHBondContact O-N 2.66Å; Y139-L142 PolarHBondContact O-N 3.21Å; Q140-L142 PolarHBondContact O-N 3.48Å; L142-K145 PolarHBondContact O-N 2.9Å; L142-A146 VanDerWaalsContact O-CB 3.32Å; L142-A146 WeakPolarHBondContact O-CB 3.38Å; L142-A146 PolarHBondContact O-N 3.46Å
143	L	53.5	Low	47.7	Very low	118 Å²	118	111.7 Å²	111.7	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-67.1	-41.8	175.6	-76.5	164.4	0	0	0	112.5	Y139 Q140 K145 A146 S147	Y139-L143 WeakPolarHBondContact O-CB 3.28Å; Y139-L143 WeakPolarHBondContact O-CG 3.37Å; Y139-L143 PolarHBondContact O-N 3.45Å; Q140-L143 PolarHBondContact O-N 3.02Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.4Å; L143-A146 PolarHBondContact O-N 2.95Å; L143-S147 WeakPolarHBondContact O-CB 3.35Å; L143-S147 PolarHBondContact O-N 3.07Å; L143-S147 PolarHBondContact O-OG 2.87Å
144	D	57.8	Low	46.7	Very low	102 Å²	102	113.9 Å²	113.9	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-64	-39.2	175.3	-70.6	-20.9	0	0	0	111.1	Q140 R141 S147 S148	Q140-D144 WeakPolarHBondContact O-CB 3.39Å; Q140-D144 VanDerWaalsContact O-CG 3.25Å; Q140-D144 PolarHBondContact O-N 3.42Å; R141-D144 PolarHBondContact O-N 2.83Å; D144-S147 WeakPolarHBondContact CA-OG 3.34Å; D144-S147 PolarHBondContact O-OG 2.8Å; D144-S148 PolarHBondContact O-N 2.94Å; D144-S148 VanDerWaalsContact O-N 3.08Å
145	K	54.7	Low	45.5	Very low	139 Å²	139	113.2 Å²	113.2	60%	0.604	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-42.4	175.7	-148.8	173.8	-172.7	-174.6	0	111.5	R141 L142 L143 S148 F149	R141-K145 WeakPolarHBondContact O-CB 3.25Å; R141-K145 PolarHBondContact O-N 3.4Å; L142-K145 PolarHBondContact O-N 2.9Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.4Å; K145-S148 PolarHBondContact O-N 3.11Å; K145-S148 PolarHBondContact O-OG 2.88Å; K145-F149 WeakPolarHBondContact O-CD2 3.41Å
146	A	43.5	Very low	44.6	Very low	55 Å²	55	118.3 Å²	118.3	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-64.8	-39.2	176.4	0	0	0	0	0	112.4	L142 L143 S148 F149	L142-A146 VanDerWaalsContact O-CB 3.32Å; L142-A146 WeakPolarHBondContact O-CB 3.38Å; L142-A146 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 2.95Å; A146-S148 VanDerWaalsContact C-N 3.3Å; A146-S148 PolarHBondContact O-N 2.88Å; A146-F149 PolarHBondContact O-N 3.3Å
147	S	44	Very low	43.3	Very low	72 Å²	72	115.4 Å²	115.4	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-68.7	-28	175.4	58.9	0	0	0	0	112.8	L143 D144 F149 S150	L143-S147 WeakPolarHBondContact O-CB 3.35Å; L143-S147 PolarHBondContact O-N 3.07Å; L143-S147 PolarHBondContact O-OG 2.87Å; D144-S147 WeakPolarHBondContact CA-OG 3.34Å; D144-S147 PolarHBondContact O-OG 2.8Å; S147-F149 PolarHBondContact O-N 2.98Å; S147-S150 PolarHBondContact O-N 3.16Å
148	S	45.9	Very low	42.1	Very low	82 Å²	82	118 Å²	118	57%	0.573	65%	0.647	S	S	*	*	H	α-helix	trans	-68.6	-14.5	172.2	70.9	0	0	0	0	114.3	D144 K145 A146	D144-S148 PolarHBondContact O-N 2.94Å; D144-S148 VanDerWaalsContact O-N 3.08Å; K145-S148 PolarHBondContact O-N 3.11Å; K145-S148 PolarHBondContact O-OG 2.88Å; A146-S148 VanDerWaalsContact C-N 3.3Å; A146-S148 PolarHBondContact O-N 2.88Å
149	F	37.6	Very low	40.3	Very low	172 Å²	172	121.7 Å²	121.7	75%	0.754	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-0.2	174.6	-86.1	-79.8	0	0	0	114.9	K145 A146 S147	K145-F149 WeakPolarHBondContact O-CD2 3.41Å; A146-F149 PolarHBondContact O-N 3.3Å; S147-F149 PolarHBondContact O-N 2.98Å
150	S	34.1	Very low	39.4	Very low	97 Å²	97	122.3 Å²	122.3	68%	0.678	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	14.4	-176.2	103.2	0	0	0	0	115.6	S147	S147-S150 PolarHBondContact O-N 3.16Å
151	R	31.2	Very low	38	Very low	218 Å²	218	125.7 Å²	125.7	82%	0.823	70%	0.7	S	S	*	*			trans	-128.5	88.8	175.6	-68.4	-174.6	-175.1	-156.4	1.1	110.4	P153	R151-P153 VanDerWaalsContact C-CD 3.47Å; R151-P153 WeakPolarHBondContact O-CD 3.41Å
152	T	27.3	Very low	36.2	Very low	135 Å²	135	128.2 Å²	128.2	83%	0.828	71%	0.711	S	S	*	*			trans	-99	93.1	156.4	52	0	0	0	0	108.6
153	P	32.9	Very low	35	Very low	113 Å²	113	128.5 Å²	128.5	73%	0.734	73%	0.727	S	S	*	*			trans	-71.5	126.2	155.7	0.3	16.2	0	0	0	107.7	R151 G155	R151-P153 VanDerWaalsContact C-CD 3.47Å; R151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-G155 PolarHBondContact O-N 3.07Å
154	A	27.3	Very low	33.7	Very low	114 Å²	114	128.6 Å²	128.6	94%	0.942	74%	0.735	S	S	*	*			trans	-55.5	110.5	168.8	0	0	0	0	0	109.7
155	G	28.3	Very low	32.1	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	75%	0.747	S	S	*	*			trans	-159.5	125.4	180	0	0	0	0	0	110.5	P153	P153-G155 PolarHBondContact O-N 3.07Å
156	K	25.5	Very low	30.6	Very low	200 Å²	200	130.6 Å²	130.6	87%	0.87	76%	0.756	S	S	*	*			trans	-59.7	155.3	-167.5	-76.9	173.9	176.3	177.1	0	114.9
157	P	23.7	Very low	29.5	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	77%	0.767	S	S	*	*			trans	-79.5	129.9	-170.8	32.1	-32.8	0	0	0	111.9
158	T	31	Very low	28.6	Very low	141 Å²	141	137.2 Å²	137.2	87%	0.865	78%	0.776	S	S	*	*			trans	-118.8	118.3	163.7	53.1	0	0	0	0	109.4
159	N	26.3	Very low	27.6	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	79%	0.786	S	S	*	*			trans	-60.9	153.3	176.4	-77.1	-27.5	0	0	0	112.2
160	N	27.9	Very low	27.1	Very low	133 Å²	133	139 Å²	139	71%	0.711	79%	0.786	S	S	*	*			trans	72.5	101.2	155.8	-61.3	-15.4	0	0	0	118
161	L	30.8	Very low	26.8	Very low	176 Å²	176	143.1 Å²	143.1	92%	0.921	80%	0.795	S	S	*	*				-159	89.5	126	-132.3	68.1	0	0	0	110.2
162	Y	26.4	Very low	26.6	Very low	231 Å²	231	139.9 Å²	139.9	91%	0.906	79%	0.792	S	S	*	*			trans	-82.5	110.9	163.3	-78.4	-90.3	0	0	0	107.8
163	G	26.6	Very low	26.7	Very low	62 Å²	62	142.3 Å²	142.3	64%	0.639	79%	0.791	S	S	*	*			trans	-138.9	110.9	171.5	0	0	0	0	0	109.6
164	P	26	Very low	26.7	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	79%	0.791	S	S	*	*			trans	-74.7	127.4	-177.2	27.6	-30.6	0	0	0	111.3	T166	P164-T166 PolarHBondContact O-N 3.41Å
165	I	23.7	Very low	26.9	Very low	157 Å²	157	145 Å²	145	81%	0.805	78%	0.783	S	S	*	*			trans	-69.8	112.6	174.5	-63.1	169.3	0	0	0	108.1	I167	I165-I167 HydrophobicContact CG2-CG1 4.18Å
166	T	22.3	Very low	27	Very low	127 Å²	127	149.9 Å²	149.9	78%	0.779	79%	0.787	S	S	*	*			trans	-93.6	113.4	175.8	-52.7	0	0	0	0	108.4	P164	P164-T166 PolarHBondContact O-N 3.41Å
167	I	21.7	Very low	27.1	Very low	135 Å²	135	146 Å²	146	69%	0.692	78%	0.784	S	S	*	*			trans	-95	104.7	174.1	-57.1	176.1	0	0	0	106.6	I165 L169	I165-I167 HydrophobicContact CG2-CG1 4.18Å; I167-L169 HydrophobicContact CG2-CD1 3.86Å
168	N	24.3	Very low	27.4	Very low	131 Å²	131	144.4 Å²	144.4	70%	0.701	78%	0.775	S	S	*	*			trans	-76.6	121.5	175.3	-169.7	-22.9	0	0	0	108.8	D170	N168-D170 PolarHBondContact OD1-N 3.08Å
169	L	24.9	Very low	27.3	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	77%	0.769	S	S	*	*			trans	-116.1	31	-173.5	-133.8	92	0	0	0	111.9	I167	I167-L169 HydrophobicContact CG2-CD1 3.86Å
170	D	26.6	Very low	27.4	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	77%	0.77	S	S	*	*			trans	-108.7	74.1	-179.7	-72.9	-27.1	0	0	0	111.5	N168	N168-D170 PolarHBondContact OD1-N 3.08Å
171	E	28	Very low	27.5	Very low	185 Å²	185	149.1 Å²	149.1	86%	0.864	78%	0.777	S	S	*	*			trans	-164.6	53.5	163.8	-116.7	172.9	-145.5	0	0	114.3
172	I	27.7	Very low	27.5	Very low	149 Å²	149	148.3 Å²	148.3	76%	0.764	77%	0.768	S	S	*	*			trans	-126.7	91.1	160	-55.4	179.8	0	0	0	107.9	D174	I172-D174 PolarHBondContact O-N 3.3Å
173	K	29.8	Very low	27.7	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	75%	0.754	S	S	*	*			trans	-67.9	95	167.7	-72.4	177.2	178	173.7	0	107.9	N175	K173-N175 PolarHBondContact O-N 3.41Å
174	D	31.9	Very low	27.9	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	76%	0.762	S	S	*	*			trans	-65.1	93.9	171.8	-79.9	-30	0	0	0	110.2	I172 H176	I172-D174 PolarHBondContact O-N 3.3Å; D174-H176 PolarHBondContact O-N 2.6Å; D174-H176 VanDerWaalsContact O-N 3.15Å
175	N	30.7	Very low	28	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	76%	0.764	S	S	*	*			trans	-76.8	21.8	173	-89.9	-9.8	0	0	0	113.5	K173 C177	K173-N175 PolarHBondContact O-N 3.41Å; N175-C177 PolarHBondContact O-N 3.15Å
176	H	31.1	Very low	28.3	Very low	175 Å²	175	144.4 Å²	144.4	81%	0.81	76%	0.756	S	S	*	*			trans	-103.8	65.8	178.4	-68.6	-69.4	0	0	0	110.9	D174 S178	D174-H176 PolarHBondContact O-N 2.6Å; D174-H176 VanDerWaalsContact O-N 3.15Å; H176-S178 PolarHBondContact O-N 3.24Å; H176-S178 VanDerWaalsContact O-N 3.13Å
177	C	27.2	Very low	28.7	Very low	119 Å²	119	143.9 Å²	143.9	80%	0.804	75%	0.754	S	S	*	*			trans	-69.5	107	166.6	-145.5	0	0	0	0	108.1	N175	N175-C177 PolarHBondContact O-N 3.15Å
178	S	31.3	Very low	29	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	76%	0.763	S	S	*	*			trans	-62.8	140.3	-178.8	49.8	0	0	0	0	111.2	H176 L180	H176-S178 PolarHBondContact O-N 3.24Å; H176-S178 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact O-N 3.04Å
179	L	27.7	Very low	29.3	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-53.1	0.1	-175.2	-75.5	160.8	0	0	0	116.5	R181 Q182	L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 3.29Å; L179-Q182 PolarHBondContact O-N 2.78Å
180	L	28.6	Very low	29.6	Very low	150 Å²	150	144 Å²	144	79%	0.785	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-79.3	-5	-175.9	-69.9	171.1	0	0	0	114.3	S178	S178-L180 PolarHBondContact O-N 3.04Å
181	R	30.8	Very low	29.9	Very low	227 Å²	227	142.9 Å²	142.9	86%	0.857	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-94.3	0.4	171.6	-95.4	-167	-176.6	-156.4	3	115.5	L179 C183	L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 3.29Å; R181-C183 VanDerWaalsContact C-N 3.32Å
182	Q	31	Very low	30.2	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	76%	0.758	S	S	*	*			trans	-82.4	-7.3	175.2	-82.5	-175.6	-16.5	0	0	114.2	L179 N184	L179-Q182 PolarHBondContact O-N 2.78Å; Q182-N184 VanDerWaalsContact C-N 3.29Å; Q182-N184 PolarHBondContact O-N 3.19Å
183	C	30	Very low	30.2	Very low	90 Å²	90	144.9 Å²	144.9	61%	0.608	76%	0.761	S	S	*	*			trans	-83	77	173.1	-41.5	0	0	0	0	109.4	R181 L185	R181-C183 VanDerWaalsContact C-N 3.32Å; C183-L185 PolarHBondContact O-N 2.87Å
184	N	31.3	Very low	30.4	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	76%	0.762	S	S	*	*			trans	-74.3	62.3	173.1	-136.6	6.5	0	0	0	109.4	Q182 S186	Q182-N184 VanDerWaalsContact C-N 3.29Å; Q182-N184 PolarHBondContact O-N 3.19Å; N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 PolarHBondContact O-N 3.37Å; N184-S186 VanDerWaalsContact O-N 3.09Å
185	L	27.2	Very low	30.4	Very low	156 Å²	156	144.8 Å²	144.8	82%	0.817	76%	0.763	S	S	*	*			trans	-82	82.8	173.8	-70.3	169.3	0	0	0	107.3	C183	C183-L185 PolarHBondContact O-N 2.87Å
186	S	29.9	Very low	30.3	Very low	91 Å²	91	143.4 Å²	143.4	64%	0.636	76%	0.762	S	S	*	*			trans	-62.2	127.6	167	-55.8	0	0	0	0	108.3	N184 I188	N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 PolarHBondContact O-N 3.37Å; N184-S186 VanDerWaalsContact O-N 3.09Å; S186-I188 PolarHBondContact O-N 2.8Å
187	P	30.1	Very low	30.5	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	76%	0.762	S	S	*	*			trans	-61	127.2	173.2	24	-30.3	0	0	0	108.3	L189	P187-L189 VanDerWaalsContact C-N 3.33Å; P187-L189 PolarHBondContact O-N 3.35Å
188	I	28.3	Very low	30.7	Very low	169 Å²	169	143.6 Å²	143.6	87%	0.867	76%	0.759	S	S	*	*			trans	-62.6	97.6	175.7	-60.6	170	0	0	0	106.5	S186	S186-I188 PolarHBondContact O-N 2.8Å
189	L	30.7	Very low	30.7	Very low	137 Å²	137	148.5 Å²	148.5	72%	0.717	77%	0.772	S	S	*	*			trans	-79.5	123.3	171.8	-151.6	82.2	0	0	0	107	P187 T191	P187-L189 VanDerWaalsContact C-N 3.33Å; P187-L189 PolarHBondContact O-N 3.35Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 2.79Å
190	P	30.7	Very low	31.1	Very low	111 Å²	111	150.4 Å²	150.4	72%	0.721	78%	0.777	S	S	*	*			trans	-74.3	89.1	179.9	24.7	-23.3	0	0	0	109	N192	P190-N192 PolarHBondContact O-N 3.26Å
191	T	34	Very low	31.2	Very low	118 Å²	118	148.6 Å²	148.6	72%	0.724	78%	0.777	S	S	*	*			trans	-75.9	77.3	172.4	46.1	0	0	0	0	110.1	L189 R193	L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 2.79Å; T191-R193 PolarHBondContact O-N 3.28Å; T191-R193 VanDerWaalsContact O-N 3.07Å
192	N	33.3	Very low	31.3	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	77%	0.773	S	S	*	*			trans	-74.1	82.1	156.7	-85.5	-17.4	0	0	0	107.9	P190	P190-N192 PolarHBondContact O-N 3.26Å
193	R	29.6	Very low	31.5	Very low	219 Å²	219	143 Å²	143	83%	0.826	77%	0.774	S	S	*	*			trans	-119.3	82.4	167.9	-157.3	-178.3	-79.1	-177.2	-3.3	107.8	T191 Q195	T191-R193 PolarHBondContact O-N 3.28Å; T191-R193 VanDerWaalsContact O-N 3.07Å; R193-Q195 PolarHBondContact O-N 2.93Å; R193-Q195 VanDerWaalsContact O-N 3.14Å
194	I	32.6	Very low	31.5	Very low	160 Å²	160	146.4 Å²	146.4	82%	0.821	79%	0.786	S	S	*	*			trans	-58.7	110.5	170.7	-61.1	169.6	0	0	0	106.7
195	Q	32	Very low	31.8	Very low	160 Å²	160	147.2 Å²	147.2	75%	0.748	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85	130.2	167.5	-71.7	-171.9	-12.8	0	0	108	R193 I197	R193-Q195 PolarHBondContact O-N 2.93Å; R193-Q195 VanDerWaalsContact O-N 3.14Å; Q195-I197 PolarHBondContact O-N 3.48Å
196	P	29.3	Very low	31.9	Very low	119 Å²	119	146.8 Å²	146.8	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.9	123.1	177.7	-3.7	19.1	0	0	0	109.1
197	I	35.3	Very low	32.3	Very low	160 Å²	160	147.1 Å²	147.1	82%	0.821	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-91.6	116.5	173.2	-65.8	171.2	0	0	0	107.3	Q195	Q195-I197 PolarHBondContact O-N 3.48Å
198	D	31.5	Very low	32.5	Very low	138 Å²	138	146.8 Å²	146.8	74%	0.738	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-62.6	137.1	176.2	-74.9	-47	0	0	0	112.1	H200	D198-H200 PolarHBondContact O-N 3.41Å
199	H	31.3	Very low	33.1	Very low	190 Å²	190	144.1 Å²	144.1	88%	0.88	78%	0.778	S	S	*	*			trans	-68.3	106.6	174.7	-75.7	-79.9	0	0	0	111.2
200	H	36.4	Very low	33.8	Very low	181 Å²	181	142.4 Å²	142.4	84%	0.838	78%	0.775	S	S	*	*			trans	-123.6	108.7	157.1	-83.3	-64.3	0	0	0	110.5	D198	D198-H200 PolarHBondContact O-N 3.41Å
201	S	30.5	Very low	34.4	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	78%	0.777	S	S	*	*			trans	-49.2	134	165.7	-57.6	0	0	0	0	111.5
202	T	33.1	Very low	35.2	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	77%	0.768	S	S	*	*			trans	178.4	134.3	133.3	33.1	0	0	0	0	111.8
203	N	35	Very low	36.1	Very low	142 Å²	142	138 Å²	138	76%	0.759	75%	0.752	S	S	*	*			trans	69.3	95.2	152.1	-64.2	-4.2	0	0	0	119.4	Q205	N203-Q205 PolarHBondContact O-N 3.21Å; N203-Q205 VanDerWaalsContact O-N 3.09Å
204	D	30.2	Very low	37.3	Very low	161 Å²	161	132.3 Å²	132.3	86%	0.861	74%	0.742	S	S	*	*				22.7	79.5	117.3	-70.3	-19.2	0	0	0	115.7
205	Q	36.5	Very low	38.5	Very low	169 Å²	169	127.9 Å²	127.9	79%	0.79	73%	0.725	S	S	*	*			trans	-123.9	107.4	142.6	-73.9	-168.9	-0.4	0	0	107.7	N203 V207	N203-Q205 PolarHBondContact O-N 3.21Å; N203-Q205 VanDerWaalsContact O-N 3.09Å; Q205-V207 HydrophobicContact CB-CG2 4.27Å; Q205-V207 PolarHBondContact O-N 3.23Å
206	T	29.6	Very low	40.1	Very low	146 Å²	146	123.7 Å²	123.7	90%	0.896	71%	0.708	S	S	*	*			trans	-60.7	70.2	163.5	48.5	0	0	0	0	109	S208	T206-S208 PolarHBondContact O-N 3.16Å
207	V	37.5	Very low	42.3	Very low	99 Å²	99	123.5 Å²	123.5	60%	0.6	70%	0.7	S	S	*	*			trans	-88.3	104.8	161.9	-178.7	0	0	0	0	104.5	Q205 V209	Q205-V207 HydrophobicContact CB-CG2 4.27Å; Q205-V207 PolarHBondContact O-N 3.23Å; V207-V209 PolarHBondContact O-N 3.5Å
208	S	35.7	Very low	44.2	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	69%	0.694	S	S	*	*			trans	-48.3	92.8	164	47.8	0	0	0	0	108.6	T206 P210	T206-S208 PolarHBondContact O-N 3.16Å; S208-P210 WeakPolarHBondContact O-CD 3.2Å; S208-P210 VanDerWaalsContact O-N 3.13Å
209	V	41.4	Very low	45.8	Very low	112 Å²	112	120.4 Å²	120.4	68%	0.679	68%	0.679	S	S	*	*			trans	-63	113.3	172.1	176.5	0	0	0	0	105	V207 T211	V207-V209 PolarHBondContact O-N 3.5Å; V209-T211 PolarHBondContact O-N 2.86Å
210	P	45.2	Very low	48	Very low	101 Å²	101	118.2 Å²	118.2	66%	0.656	66%	0.663	S	S	*	*			trans	-58.4	129	173.8	-14.5	28.5	0	0	0	106	S208 S212	S208-P210 WeakPolarHBondContact O-CD 3.2Å; S208-P210 VanDerWaalsContact O-N 3.13Å; P210-S212 PolarHBondContact O-N 2.91Å
211	T	42.7	Very low	50.1	Low	122 Å²	122	112.1 Å²	112.1	75%	0.748	65%	0.645	S	S	*	*			trans	-60	68.3	173.5	50.7	0	0	0	0	110.4	V209	V209-T211 PolarHBondContact O-N 2.86Å
212	S	50.5	Low	52.4	Low	76 Å²	76	114.4 Å²	114.4	53%	0.531	64%	0.637	S	S	.	*			trans	-90.2	9	165.2	63.9	0	0	0	0	111.2	P210 T214 S215 D216	P210-S212 PolarHBondContact O-N 2.91Å; S212-T214 PolarHBondContact O-N 2.92Å; S212-S215 WeakPolarHBondContact O-CB 3.11Å; S212-S215 PolarHBondContact O-N 3.11Å; S212-D216 PolarHBondContact O-N 3.42Å
213	D	52.4	Low	54.5	Low	97 Å²	97	113 Å²	113	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-50.1	-27.8	170.6	-76.7	-28.3	0	0	0	112.1	S215 D216 L217	D213-S215 PolarHBondContact O-N 3.21Å; D213-D216 PolarHBondContact O-N 3.38Å; D213-L217 HydrophobicContact CB-CD1 4.46Å; D213-L217 VanDerWaalsContact O-CB 3.27Å; D213-L217 WeakPolarHBondContact O-CB 3.38Å; D213-L217 WeakPolarHBondContact O-CD1 3.19Å; D213-L217 PolarHBondContact O-N 3.25Å
214	T	55.4	Low	56.5	Low	98 Å²	98	112.6 Å²	112.6	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-66.8	-34	176.4	56.7	0	0	0	0	113.5	S212 K218	S212-T214 PolarHBondContact O-N 2.92Å; T214-K218 WeakPolarHBondContact O-CB 3.12Å; T214-K218 WeakPolarHBondContact O-CG 3.27Å; T214-K218 PolarHBondContact O-N 3.42Å
215	S	58	Low	58.7	Low	68 Å²	68	108.4 Å²	108.4	48%	0.476	60%	0.6	S	S	.	*	H	α-helix	trans	-68.1	-46.2	174.4	173	0	0	0	0	110.2	S212 D213 K218 T219	S212-S215 WeakPolarHBondContact O-CB 3.11Å; S212-S215 PolarHBondContact O-N 3.11Å; D213-S215 PolarHBondContact O-N 3.21Å; S215-K218 PolarHBondContact O-N 2.6Å; S215-T219 WeakPolarHBondContact O-CB 3.44Å; S215-T219 PolarHBondContact O-N 2.58Å; S215-T219 PolarHBondContact O-OG1 2.89Å
216	D	65.1	Low	60.4	Low	72 Å²	72	102.8 Å²	102.8	39%	0.385	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-41.1	178.9	-103.6	29.6	0	0	0	111.8	S212 D213 T219 R220	S212-D216 PolarHBondContact O-N 3.42Å; D213-D216 PolarHBondContact O-N 3.38Å; D216-T219 PolarHBondContact O-N 3.31Å; D216-R220 WeakPolarHBondContact O-CB 3.47Å; D216-R220 VanDerWaalsContact O-CG 3.25Å; D216-R220 WeakPolarHBondContact O-CG 3.43Å; D216-R220 PolarHBondContact O-N 3.27Å; D216-R220 IonicContact OD2-CZ 3.58Å; D216-R220 IonicContact OD2-NH1 3.76Å; D216-R220 IonicContact OD2-NH2 2.84Å; D216-R220 PolarHBondContact OD2-NH2 3.45Å
217	L	74.3	Confident	62.4	Low	114 Å²	114	99.3 Å²	99.3	60%	0.597	56%	0.561	S	S	*	*	H	α-helix	trans	-64.1	-45.9	174	-101.9	129.4	0	0	0	112.1	D213 T219 R220 A221	D213-L217 HydrophobicContact CB-CD1 4.46Å; D213-L217 VanDerWaalsContact O-CB 3.27Å; D213-L217 WeakPolarHBondContact O-CB 3.38Å; D213-L217 WeakPolarHBondContact O-CD1 3.19Å; D213-L217 PolarHBondContact O-N 3.25Å; L217-T219 VanDerWaalsContact C-N 3.29Å; L217-T219 PolarHBondContact O-N 2.71Å; L217-R220 PolarHBondContact O-N 2.9Å; L217-A221 VanDerWaalsContact O-CB 3.26Å; L217-A221 WeakPolarHBondContact O-CB 3.32Å; L217-A221 PolarHBondContact O-N 2.83Å
218	K	75.3	Confident	64.1	Low	164 Å²	164	102.2 Å²	102.2	71%	0.713	57%	0.568	S	S	*	*	H	α-helix	trans	-62.1	-39.8	176.6	-81.2	-178.2	178.6	-179.8	0	111.6	T214 S215 W222	T214-K218 WeakPolarHBondContact O-CB 3.12Å; T214-K218 WeakPolarHBondContact O-CG 3.27Å; T214-K218 PolarHBondContact O-N 3.42Å; S215-K218 PolarHBondContact O-N 2.6Å; K218-W222 VanDerWaalsContact O-CB 3.28Å; K218-W222 WeakPolarHBondContact O-CB 3.25Å; K218-W222 PolarHBondContact O-N 2.8Å
219	T	66.8	Low	66.1	Low	69 Å²	69	98.5 Å²	98.5	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-44.4	178.9	-52.4	0	0	0	0	110.6	S215 D216 L217 W222 L223	S215-T219 WeakPolarHBondContact O-CB 3.44Å; S215-T219 PolarHBondContact O-N 2.58Å; S215-T219 PolarHBondContact O-OG1 2.89Å; D216-T219 PolarHBondContact O-N 3.31Å; L217-T219 VanDerWaalsContact C-N 3.29Å; L217-T219 PolarHBondContact O-N 2.71Å; T219-W222 PolarHBondContact O-N 2.9Å; T219-L223 HydrophobicContact CG2-CD1 4.39Å; T219-L223 WeakPolarHBondContact O-CG 3.36Å; T219-L223 PolarHBondContact O-N 3.33Å
220	R	77.2	Confident	67.8	Low	144 Å²	144	97.3 Å²	97.3	54%	0.543	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-48.2	175	-73.4	176.8	-172	122.3	16.5	111.6	D216 L217 W222 L223 E224	D216-R220 WeakPolarHBondContact O-CB 3.47Å; D216-R220 VanDerWaalsContact O-CG 3.25Å; D216-R220 WeakPolarHBondContact O-CG 3.43Å; D216-R220 PolarHBondContact O-N 3.27Å; D216-R220 IonicContact OD2-CZ 3.58Å; D216-R220 IonicContact OD2-NH1 3.76Å; D216-R220 IonicContact OD2-NH2 2.84Å; D216-R220 PolarHBondContact OD2-NH2 3.45Å; L217-R220 PolarHBondContact O-N 2.9Å; R220-W222 VanDerWaalsContact C-N 3.28Å; R220-W222 PolarHBondContact O-N 3.49Å; R220-L223 PolarHBondContact O-N 3.43Å; R220-L223 VanDerWaalsContact O-N 3.17Å; R220-E224 PolarHBondContact O-N 2.98Å
221	A	80.1	Confident	69.1	Low	54 Å²	54	99.7 Å²	99.7	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-61	-37.2	178.3	0	0	0	0	0	112.4	L217 S225	L217-A221 VanDerWaalsContact O-CB 3.26Å; L217-A221 WeakPolarHBondContact O-CB 3.32Å; L217-A221 PolarHBondContact O-N 2.83Å; A221-S225 WeakPolarHBondContact O-CB 3.46Å; A221-S225 PolarHBondContact O-N 3.45Å
222	W	78.6	Confident	70.7	Confident	159 Å²	159	98 Å²	98	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-68.4	-42.6	174.9	-179.7	78.5	0	0	0	112.4	K218 T219 R220 E224 S225 I226	K218-W222 VanDerWaalsContact O-CB 3.28Å; K218-W222 WeakPolarHBondContact O-CB 3.25Å; K218-W222 PolarHBondContact O-N 2.8Å; T219-W222 PolarHBondContact O-N 2.9Å; R220-W222 VanDerWaalsContact C-N 3.28Å; R220-W222 PolarHBondContact O-N 3.49Å; W222-E224 VanDerWaalsContact C-N 3.31Å; W222-E224 PolarHBondContact O-N 3.21Å; W222-S225 PolarHBondContact O-N 3.23Å; W222-I226 HydrophobicContact CD2-CD1 3.59Å; W222-I226 HydrophobicContact CD2-CG1 4.42Å; W222-I226 HydrophobicContact CE3-CD1 3.85Å; W222-I226 HydrophobicContact CG-CD1 4.37Å; W222-I226 HydrophobicContact CH2-CD1 3.38Å; W222-I226 HydrophobicContact CZ2-CD1 3.09Å; W222-I226 HydrophobicContact CZ2-CG1 4.45Å; W222-I226 HydrophobicContact CZ3-CD1 3.75Å; W222-I226 WeakPolarHBondContact O-CB 3.43Å; W222-I226 WeakPolarHBondContact O-CG1 3.29Å; W222-I226 PolarHBondContact O-N 3.02Å
223	L	76.3	Confident	72.1	Confident	97 Å²	97	96.4 Å²	96.4	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-39.9	174.7	-74.1	168.6	0	0	0	111.8	T219 R220 I226 A227	T219-L223 HydrophobicContact CG2-CD1 4.39Å; T219-L223 WeakPolarHBondContact O-CG 3.36Å; T219-L223 PolarHBondContact O-N 3.33Å; R220-L223 PolarHBondContact O-N 3.43Å; R220-L223 VanDerWaalsContact O-N 3.17Å; L223-I226 PolarHBondContact O-N 3.35Å; L223-A227 WeakPolarHBondContact O-CB 3.22Å; L223-A227 PolarHBondContact O-N 3.06Å
224	E	77.2	Confident	73.5	Confident	135 Å²	135	98 Å²	98	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-47.9	175.2	-128.2	164.3	-168.9	0	0	111.1	R220 W222 I226 A227 E228	R220-E224 PolarHBondContact O-N 2.98Å; W222-E224 VanDerWaalsContact C-N 3.31Å; W222-E224 PolarHBondContact O-N 3.21Å; E224-I226 PolarHBondContact O-N 3.43Å; E224-A227 PolarHBondContact O-N 3.03Å; E224-A227 VanDerWaalsContact O-N 3.14Å; E224-E228 WeakPolarHBondContact O-CG 3.35Å; E224-E228 PolarHBondContact O-N 3.43Å
225	S	76.8	Confident	75	Confident	73 Å²	73	98.6 Å²	98.6	51%	0.51	52%	0.517	S	S	.	.	H	α-helix	trans	-58.9	-31.8	175.4	174.7	0	0	0	0	113.1	A221 W222	A221-S225 WeakPolarHBondContact O-CB 3.46Å; A221-S225 PolarHBondContact O-N 3.45Å; W222-S225 PolarHBondContact O-N 3.23Å
226	I	72.2	Confident	76.2	Confident	51 Å²	51	99.9 Å²	99.9	26%	0.262	51%	0.511	S	S	.	.	H	α-helix	trans	-79.2	-38	177.4	-78.3	-175.2	0	0	0	112.1	W222 L223 E224 E228 S229 L232	W222-I226 HydrophobicContact CD2-CD1 3.59Å; W222-I226 HydrophobicContact CD2-CG1 4.42Å; W222-I226 HydrophobicContact CE3-CD1 3.85Å; W222-I226 HydrophobicContact CG-CD1 4.37Å; W222-I226 HydrophobicContact CH2-CD1 3.38Å; W222-I226 HydrophobicContact CZ2-CD1 3.09Å; W222-I226 HydrophobicContact CZ2-CG1 4.45Å; W222-I226 HydrophobicContact CZ3-CD1 3.75Å; W222-I226 WeakPolarHBondContact O-CB 3.43Å; W222-I226 WeakPolarHBondContact O-CG1 3.29Å; W222-I226 PolarHBondContact O-N 3.02Å; L223-I226 PolarHBondContact O-N 3.35Å; E224-I226 PolarHBondContact O-N 3.43Å; I226-E228 PolarHBondContact O-N 2.84Å; I226-S229 WeakPolarHBondContact O-CB 3.35Å; I226-S229 PolarHBondContact O-N 3.39Å; I226-S229 PolarHBondContact O-OG 3.3Å; I226-L232 HydrophobicContact CG2-CD1 3.18Å
227	A	71.5	Confident	77.1	Confident	73 Å²	73	99.6 Å²	99.6	60%	0.603	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-31.1	174.7	0	0	0	0	0	111.7	L223 E224 S229	L223-A227 WeakPolarHBondContact O-CB 3.22Å; L223-A227 PolarHBondContact O-N 3.06Å; E224-A227 PolarHBondContact O-N 3.03Å; E224-A227 VanDerWaalsContact O-N 3.14Å; A227-S229 PolarHBondContact O-N 3.33Å
228	E	74.5	Confident	77.7	Confident	160 Å²	160	98.8 Å²	98.8	75%	0.748	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.5	170.6	-70.7	-178.1	172.2	0	0	113.6	E224 I226	E224-E228 WeakPolarHBondContact O-CG 3.35Å; E224-E228 PolarHBondContact O-N 3.43Å; I226-E228 PolarHBondContact O-N 2.84Å
229	S	77	Confident	78.4	Confident	30 Å²	30	95.5 Å²	95.5	21%	0.21	50%	0.496	C	S	.	.	S	Bend	trans	-68.1	133.9	-179.2	87.1	0	0	0	0	110.4	I226 A227 Y231 L232 S233	I226-S229 WeakPolarHBondContact O-CB 3.35Å; I226-S229 PolarHBondContact O-N 3.39Å; I226-S229 PolarHBondContact O-OG 3.3Å; A227-S229 PolarHBondContact O-N 3.33Å; S229-Y231 PolarHBondContact O-N 3.48Å; S229-Y231 VanDerWaalsContact O-N 3.07Å; S229-L232 PolarHBondContact O-N 2.91Å; S229-L232 VanDerWaalsContact O-N 3.08Å; S229-L232 PolarHBondContact OG-N 3.16Å; S229-S233 PolarHBondContact O-N 2.88Å
230	P	77.7	Confident	79.3	Confident	87 Å²	87	95.3 Å²	95.3	57%	0.565	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.8	178.2	24	-33	0	0	0	112.2	L232 S233 W236	P230-L232 VanDerWaalsContact C-N 3.35Å; P230-S233 PolarHBondContact O-OG 3.39Å; P230-W236 WeakPolarHBondContact O-CB 3.46Å
231	Y	72.6	Confident	79.8	Confident	151 Å²	151	91.6 Å²	91.6	59%	0.592	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.7	-179.7	-54.3	-73.5	0	0	0	114.5	S229 W236	S229-Y231 PolarHBondContact O-N 3.48Å; S229-Y231 VanDerWaalsContact O-N 3.07Å; Y231-W236 AromaticContact CD1-CE2 3.89Å; Y231-W236 HydrophobicContact CD1-CZ2 4.15Å; Y231-W236 AromaticContact CD1-NE1 3.72Å; Y231-W236 WeakPolarHBondContact O-CZ3 3.46Å
232	L	75.5	Confident	80.3	Confident	86 Å²	86	92.3 Å²	92.3	45%	0.45	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	1.8	171.7	-79.4	156.3	0	0	0	112.5	I226 S229 P230 L237	I226-L232 HydrophobicContact CG2-CD1 3.18Å; S229-L232 PolarHBondContact O-N 2.91Å; S229-L232 VanDerWaalsContact O-N 3.08Å; S229-L232 PolarHBondContact OG-N 3.16Å; P230-L232 VanDerWaalsContact C-N 3.35Å; L232-L237 WeakPolarHBondContact O-CD1 3.46Å
233	S	79.5	Confident	80.8	Confident	43 Å²	43	87.4 Å²	87.4	30%	0.301	48%	0.477	S	S	.	.	S	Bend	trans	-56.5	141.5	168.2	70.6	0	0	0	0	110.3	S229 P230 N235 W236 L237	S229-S233 PolarHBondContact O-N 2.88Å; P230-S233 PolarHBondContact O-OG 3.39Å; S233-N235 PolarHBondContact O-N 3.08Å; S233-N235 VanDerWaalsContact O-N 3.09Å; S233-W236 PolarHBondContact O-N 3.45Å; S233-W236 WeakPolarHBondContact OG-CB 3.41Å; S233-W236 PolarHBondContact OG-N 3.09Å; S233-L237 PolarHBondContact O-N 2.94Å; S233-L237 VanDerWaalsContact O-N 3.09Å
234	D	82.2	Confident	81.5	Confident	131 Å²	131	90.3 Å²	90.3	70%	0.701	48%	0.482	S	S	*	.	H	α-helix	trans	-52.4	-35.3	175.7	-72.1	-35.6	0	0	0	111.5	N238	D234-N238 VanDerWaalsContact O-CB 3.25Å; D234-N238 WeakPolarHBondContact O-CB 3.13Å; D234-N238 PolarHBondContact O-N 2.97Å; D234-N238 PolarHBondContact O-ND2 2.85Å
235	N	85.8	Confident	82.2	Confident	109 Å²	109	89 Å²	89	58%	0.583	48%	0.476	S	S	*	.	H	α-helix	trans	-65.2	-44	178.1	-168.5	36.5	0	0	0	112.8	S233 N239	S233-N235 PolarHBondContact O-N 3.08Å; S233-N235 VanDerWaalsContact O-N 3.09Å; N235-N239 WeakPolarHBondContact O-CB 3.39Å; N235-N239 VanDerWaalsContact O-CG 3.26Å; N235-N239 PolarHBondContact O-N 3.47Å; N235-N239 PolarHBondContact O-ND2 3.33Å; N235-N239 VanDerWaalsContact O-ND2 3.1Å
236	W	84.6	Confident	83	Confident	96 Å²	96	88.2 Å²	88.2	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-68.5	-44	178.1	-176.8	93.4	0	0	0	112	P230 Y231 S233 N238 N239 L240	P230-W236 WeakPolarHBondContact O-CB 3.46Å; Y231-W236 AromaticContact CD1-CE2 3.89Å; Y231-W236 HydrophobicContact CD1-CZ2 4.15Å; Y231-W236 AromaticContact CD1-NE1 3.72Å; Y231-W236 WeakPolarHBondContact O-CZ3 3.46Å; S233-W236 PolarHBondContact O-N 3.45Å; S233-W236 WeakPolarHBondContact OG-CB 3.41Å; S233-W236 PolarHBondContact OG-N 3.09Å; W236-N238 VanDerWaalsContact C-N 3.29Å; W236-N238 PolarHBondContact O-N 2.99Å; W236-N239 PolarHBondContact O-N 3.27Å; W236-L240 HydrophobicContact CE3-CB 4.37Å; W236-L240 HydrophobicContact CE3-CD2 4.43Å; W236-L240 HydrophobicContact CH2-CD1 4.22Å; W236-L240 HydrophobicContact CH2-CD2 3.61Å; W236-L240 HydrophobicContact CH2-CG 4.34Å; W236-L240 HydrophobicContact CZ2-CD1 4.17Å; W236-L240 HydrophobicContact CZ2-CD2 4.36Å; W236-L240 HydrophobicContact CZ3-CB 4.37Å; W236-L240 HydrophobicContact CZ3-CD2 3.64Å; W236-L240 HydrophobicContact CZ3-CG 4.48Å; W236-L240 WeakPolarHBondContact O-CB 3.13Å; W236-L240 PolarHBondContact O-N 3.08Å
237	L	82.9	Confident	83.9	Confident	65 Å²	65	91.6 Å²	91.6	34%	0.34	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-41.7	176.2	-81.4	156.6	0	0	0	111.6	L232 S233 T241	L232-L237 WeakPolarHBondContact O-CD1 3.46Å; S233-L237 PolarHBondContact O-N 2.94Å; S233-L237 VanDerWaalsContact O-N 3.09Å; L237-T241 VanDerWaalsContact O-CB 3.27Å; L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 3.38Å; L237-T241 PolarHBondContact O-OG1 2.95Å
238	N	87.4	Confident	84.9	Confident	98 Å²	98	94.1 Å²	94.1	52%	0.524	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-48.1	174.9	-72.6	-26.8	0	0	0	111.5	D234 W236 L240 T241 S242	D234-N238 VanDerWaalsContact O-CB 3.25Å; D234-N238 WeakPolarHBondContact O-CB 3.13Å; D234-N238 PolarHBondContact O-N 2.97Å; D234-N238 PolarHBondContact O-ND2 2.85Å; W236-N238 VanDerWaalsContact C-N 3.29Å; W236-N238 PolarHBondContact O-N 2.99Å; N238-L240 PolarHBondContact O-N 3.13Å; N238-T241 PolarHBondContact O-N 2.97Å; N238-S242 WeakPolarHBondContact O-CB 3.12Å; N238-S242 PolarHBondContact O-N 3.08Å; N238-S242 PolarHBondContact O-OG 2.99Å; N238-S242 VanDerWaalsContact O-OG 3.09Å
239	N	89.8	Confident	85.8	Confident	94 Å²	94	90.1 Å²	90.1	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-61.9	-42.4	177.7	-74.6	-32.7	0	0	0	112.7	N235 W236 S242 S243	N235-N239 WeakPolarHBondContact O-CB 3.39Å; N235-N239 VanDerWaalsContact O-CG 3.26Å; N235-N239 PolarHBondContact O-N 3.47Å; N235-N239 PolarHBondContact O-ND2 3.33Å; N235-N239 VanDerWaalsContact O-ND2 3.1Å; W236-N239 PolarHBondContact O-N 3.27Å; N239-S242 PolarHBondContact O-N 3.32Å; N239-S243 VanDerWaalsContact O-CB 3.32Å; N239-S243 WeakPolarHBondContact O-CB 3.29Å; N239-S243 PolarHBondContact O-N 3.46Å
240	L	85	Confident	86.6	Confident	65 Å²	65	93.6 Å²	93.6	34%	0.34	48%	0.481	S	S	.	.	H	α-helix	trans	-60	-50.4	175.2	-174.4	76.1	0	0	0	110.1	W236 N238 S242 S243 Y244	W236-L240 HydrophobicContact CE3-CB 4.37Å; W236-L240 HydrophobicContact CE3-CD2 4.43Å; W236-L240 HydrophobicContact CH2-CD1 4.22Å; W236-L240 HydrophobicContact CH2-CD2 3.61Å; W236-L240 HydrophobicContact CH2-CG 4.34Å; W236-L240 HydrophobicContact CZ2-CD1 4.17Å; W236-L240 HydrophobicContact CZ2-CD2 4.36Å; W236-L240 HydrophobicContact CZ3-CB 4.37Å; W236-L240 HydrophobicContact CZ3-CD2 3.64Å; W236-L240 HydrophobicContact CZ3-CG 4.48Å; W236-L240 WeakPolarHBondContact O-CB 3.13Å; W236-L240 PolarHBondContact O-N 3.08Å; N238-L240 PolarHBondContact O-N 3.13Å; L240-S242 PolarHBondContact O-N 3.31Å; L240-S243 PolarHBondContact O-N 3.06Å; L240-Y244 HydrophobicContact CD1-CD2 3.94Å; L240-Y244 HydrophobicContact CD1-CE2 3.64Å; L240-Y244 HydrophobicContact CG-CD2 3.98Å; L240-Y244 HydrophobicContact CG-CE2 4.06Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.16Å
241	T	88.9	Confident	87.4	Confident	67 Å²	67	96.8 Å²	96.8	41%	0.411	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-47.2	179.4	-60.1	0	0	0	0	111.1	L237 N238 S243 Y244 Q245	L237-T241 VanDerWaalsContact O-CB 3.27Å; L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 3.38Å; L237-T241 PolarHBondContact O-OG1 2.95Å; N238-T241 PolarHBondContact O-N 2.97Å; T241-S243 PolarHBondContact O-N 3.3Å; T241-Y244 PolarHBondContact O-N 2.97Å; T241-Q245 HydrophobicContact CG2-CG 4.43Å; T241-Q245 WeakPolarHBondContact O-CB 3.29Å; T241-Q245 VanDerWaalsContact O-CG 3.22Å; T241-Q245 WeakPolarHBondContact O-CG 3.28Å; T241-Q245 PolarHBondContact O-N 3.13Å
242	S	90.9	Very high	88.5	Confident	68 Å²	68	94.8 Å²	94.8	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-41.3	176.3	-63.4	0	0	0	0	112.3	N238 N239 L240 Q245 A246	N238-S242 WeakPolarHBondContact O-CB 3.12Å; N238-S242 PolarHBondContact O-N 3.08Å; N238-S242 PolarHBondContact O-OG 2.99Å; N238-S242 VanDerWaalsContact O-OG 3.09Å; N239-S242 PolarHBondContact O-N 3.32Å; L240-S242 PolarHBondContact O-N 3.31Å; S242-Q245 PolarHBondContact O-N 3.01Å; S242-A246 VanDerWaalsContact O-CB 3.29Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 3.3Å
243	S	88	Confident	89.5	Confident	57 Å²	57	98.5 Å²	98.5	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-44.6	177.5	-174.1	0	0	0	0	112.2	N239 L240 T241 A246 K247	N239-S243 VanDerWaalsContact O-CB 3.32Å; N239-S243 WeakPolarHBondContact O-CB 3.29Å; N239-S243 PolarHBondContact O-N 3.46Å; L240-S243 PolarHBondContact O-N 3.06Å; T241-S243 PolarHBondContact O-N 3.3Å; S243-A246 PolarHBondContact O-N 3.18Å; S243-K247 WeakPolarHBondContact O-CG 3.47Å; S243-K247 PolarHBondContact O-N 3.41Å
244	Y	90.8	Very high	90.2	Very high	157 Å²	157	102.1 Å²	102.1	62%	0.616	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-41.3	176.6	-91.4	-94.8	0	0	0	112.1	L240 T241 K247 K248	L240-Y244 HydrophobicContact CD1-CD2 3.94Å; L240-Y244 HydrophobicContact CD1-CE2 3.64Å; L240-Y244 HydrophobicContact CG-CD2 3.98Å; L240-Y244 HydrophobicContact CG-CE2 4.06Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.16Å; T241-Y244 PolarHBondContact O-N 2.97Å; Y244-K247 PolarHBondContact O-N 3.45Å; Y244-K248 WeakPolarHBondContact O-CB 3.48Å; Y244-K248 PolarHBondContact O-N 3.47Å
245	Q	93.4	Very high	90.7	Very high	109 Å²	109	102.3 Å²	102.3	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-42.6	175	-73.6	176.1	1	0	0	111.5	T241 S242 K247 K248 N249	T241-Q245 HydrophobicContact CG2-CG 4.43Å; T241-Q245 WeakPolarHBondContact O-CB 3.29Å; T241-Q245 VanDerWaalsContact O-CG 3.22Å; T241-Q245 WeakPolarHBondContact O-CG 3.28Å; T241-Q245 PolarHBondContact O-N 3.13Å; S242-Q245 PolarHBondContact O-N 3.01Å; Q245-K247 PolarHBondContact O-N 3Å; Q245-K248 WeakPolarHBondContact O-CB 3.35Å; Q245-K248 PolarHBondContact O-N 3.21Å; Q245-N249 PolarHBondContact O-N 3.28Å; Q245-N249 PolarHBondContact O-ND2 2.8Å; Q245-N249 PolarHBondContact O-OD1 2.94Å
246	A	92.4	Very high	91.3	Very high	56 Å²	56	101.6 Å²	101.6	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-59.8	-47.8	175.9	0	0	0	0	0	112	S242 S243 K248 N249 E250	S242-A246 VanDerWaalsContact O-CB 3.29Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 3.3Å; S243-A246 PolarHBondContact O-N 3.18Å; A246-K248 VanDerWaalsContact C-N 3.31Å; A246-K248 PolarHBondContact O-N 3.46Å; A246-N249 PolarHBondContact O-N 2.63Å; A246-E250 WeakPolarHBondContact O-CB 3.33Å; A246-E250 PolarHBondContact O-N 3.08Å
247	K	91.2	Very high	91.8	Very high	121 Å²	121	103 Å²	103	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-30.4	175.6	-73.3	-178.9	179.5	178.5	0	113.6	S243 Y244 Q245 R251	S243-K247 WeakPolarHBondContact O-CG 3.47Å; S243-K247 PolarHBondContact O-N 3.41Å; Y244-K247 PolarHBondContact O-N 3.45Å; Q245-K247 PolarHBondContact O-N 3Å; K247-R251 WeakPolarHBondContact O-CG 3.47Å; K247-R251 PolarHBondContact O-N 2.93Å; K247-R251 PolarHBondContact O-NE 3.19Å; K247-R251 VanDerWaalsContact O-NE 3.16Å
248	K	91.8	Very high	92.4	Very high	126 Å²	126	102.2 Å²	102.2	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-48.4	173.1	-177.6	-173.5	172.3	-172.3	0	110.1	Y244 Q245 A246 E250 R251 E252	Y244-K248 WeakPolarHBondContact O-CB 3.48Å; Y244-K248 PolarHBondContact O-N 3.47Å; Q245-K248 WeakPolarHBondContact O-CB 3.35Å; Q245-K248 PolarHBondContact O-N 3.21Å; A246-K248 VanDerWaalsContact C-N 3.31Å; A246-K248 PolarHBondContact O-N 3.46Å; K248-E250 VanDerWaalsContact C-N 3.31Å; K248-E250 PolarHBondContact O-N 3.37Å; K248-R251 PolarHBondContact O-N 2.89Å; K248-E252 WeakPolarHBondContact O-CB 3.37Å; K248-E252 PolarHBondContact O-N 3.37Å
249	N	94.8	Very high	92.8	Very high	76 Å²	76	101.6 Å²	101.6	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-38.3	179.1	-64.7	-13.3	0	0	0	111.9	Q245 A246 E252 R253	Q245-N249 PolarHBondContact O-N 3.28Å; Q245-N249 PolarHBondContact O-ND2 2.8Å; Q245-N249 PolarHBondContact O-OD1 2.94Å; A246-N249 PolarHBondContact O-N 2.63Å; N249-E252 PolarHBondContact O-N 3.49Å; N249-R253 WeakPolarHBondContact O-CG 3.39Å; N249-R253 PolarHBondContact O-N 3.21Å
250	E	93.5	Very high	93.1	Very high	103 Å²	103	99.9 Å²	99.9	48%	0.481	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-51.8	174.8	-176.2	171.1	-144	0	0	111.9	A246 K248 E252 R253 E254	A246-E250 WeakPolarHBondContact O-CB 3.33Å; A246-E250 PolarHBondContact O-N 3.08Å; K248-E250 VanDerWaalsContact C-N 3.31Å; K248-E250 PolarHBondContact O-N 3.37Å; E250-E252 PolarHBondContact O-N 2.97Å; E250-R253 WeakPolarHBondContact O-CB 3.18Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.08Å; E250-E254 WeakPolarHBondContact O-CG 3.3Å; E250-E254 PolarHBondContact O-N 3.13Å
251	R	94	Very high	93.6	Very high	155 Å²	155	101 Å²	101	59%	0.585	50%	0.498	S	S	*	.	H	α-helix	trans	-57.8	-37	175.2	-79	-178.5	-72.4	157.4	-5.6	112.8	K247 K248 E254 Y255	K247-R251 WeakPolarHBondContact O-CG 3.47Å; K247-R251 PolarHBondContact O-N 2.93Å; K247-R251 PolarHBondContact O-NE 3.19Å; K247-R251 VanDerWaalsContact O-NE 3.16Å; K248-R251 PolarHBondContact O-N 2.89Å; R251-E254 PolarHBondContact O-N 3.16Å; R251-Y255 VanDerWaalsContact O-CB 3.3Å; R251-Y255 WeakPolarHBondContact O-CB 3.33Å; R251-Y255 PolarHBondContact O-N 3.02Å
252	E	95.3	Very high	93.8	Very high	108 Å²	108	102.5 Å²	102.5	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-39.2	177.3	-166.8	159.9	-162.1	0	0	111.6	K248 N249 E250 Y255 E256	K248-E252 WeakPolarHBondContact O-CB 3.37Å; K248-E252 PolarHBondContact O-N 3.37Å; N249-E252 PolarHBondContact O-N 3.49Å; E250-E252 PolarHBondContact O-N 2.97Å; E252-Y255 PolarHBondContact O-N 2.83Å; E252-E256 WeakPolarHBondContact O-CG 3.36Å; E252-E256 PolarHBondContact O-N 2.95Å
253	R	96.2	Very high	94	Very high	165 Å²	165	107 Å²	107	62%	0.623	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-44.1	172	-70.1	-178.7	-152.8	131.7	0.5	112.5	N249 E250 Y255 E256 L257	N249-R253 WeakPolarHBondContact O-CG 3.39Å; N249-R253 PolarHBondContact O-N 3.21Å; E250-R253 WeakPolarHBondContact O-CB 3.18Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.08Å; R253-Y255 VanDerWaalsContact C-N 3.29Å; R253-Y255 PolarHBondContact O-N 3.16Å; R253-E256 PolarHBondContact O-N 2.98Å; R253-L257 WeakPolarHBondContact O-CB 3.45Å; R253-L257 PolarHBondContact O-N 3.26Å
254	E	94.5	Very high	94.5	Very high	118 Å²	118	109.8 Å²	109.8	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-60.2	-42.5	176.9	-71.5	178.3	163.4	0	0	111.3	E250 R251 L257 A258	E250-E254 WeakPolarHBondContact O-CG 3.3Å; E250-E254 PolarHBondContact O-N 3.13Å; R251-E254 PolarHBondContact O-N 3.16Å; E254-L257 PolarHBondContact O-N 3.33Å; E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.87Å
255	Y	94.3	Very high	94.7	Very high	136 Å²	136	108.9 Å²	108.9	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176.4	174.7	-112.9	0	0	0	112.3	R251 E252 R253 A258 K259	R251-Y255 VanDerWaalsContact O-CB 3.3Å; R251-Y255 WeakPolarHBondContact O-CB 3.33Å; R251-Y255 PolarHBondContact O-N 3.02Å; E252-Y255 PolarHBondContact O-N 2.83Å; R253-Y255 VanDerWaalsContact C-N 3.29Å; R253-Y255 PolarHBondContact O-N 3.16Å; Y255-A258 PolarHBondContact O-N 2.83Å; Y255-K259 HydrophobicContact CD1-CD 4.46Å; Y255-K259 HydrophobicContact CE1-CD 4.07Å; Y255-K259 PolarHBondContact O-N 3Å; Y255-K259 WeakPolarHBondContact OH-CE 3.45Å; Y255-K259 PolarHBondContact OH-NZ 2.83Å
256	E	96.5	Very high	94.7	Very high	94 Å²	94	108.9 Å²	108.9	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-68.8	-37	176.4	-71.1	-56.6	133.9	0	0	112.5	E252 R253 K259 A260	E252-E256 WeakPolarHBondContact O-CG 3.36Å; E252-E256 PolarHBondContact O-N 2.95Å; R253-E256 PolarHBondContact O-N 2.98Å; E256-K259 PolarHBondContact O-N 3.34Å; E256-K259 IonicContact OE1-NZ 3.46Å; E256-K259 PolarHBondContact OE1-NZ 2.86Å; E256-A260 WeakPolarHBondContact O-CB 3.45Å; E256-A260 PolarHBondContact O-N 3.42Å
257	L	96.8	Very high	94.9	Very high	125 Å²	125	112.6 Å²	112.6	65%	0.654	52%	0.515	S	S	*	.	H	α-helix	trans	-60.6	-44.9	170.6	-91	157.1	0	0	0	111.5	R253 E254 A260 N261	R253-L257 WeakPolarHBondContact O-CB 3.45Å; R253-L257 PolarHBondContact O-N 3.26Å; E254-L257 PolarHBondContact O-N 3.33Å; L257-A260 PolarHBondContact O-N 2.9Å; L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 3.4Å
258	A	94	Very high	95.1	Very high	49 Å²	49	111.8 Å²	111.8	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-45	177.3	0	0	0	0	0	111.5	E254 Y255 N261 I262	E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.87Å; Y255-A258 PolarHBondContact O-N 2.83Å; A258-N261 PolarHBondContact O-N 3.39Å; A258-I262 WeakPolarHBondContact O-CG1 3.47Å; A258-I262 PolarHBondContact O-N 3.02Å
259	K	96.3	Very high	95.2	Very high	84 Å²	84	113.8 Å²	113.8	37%	0.365	52%	0.517	S	S	.	.	H	α-helix	trans	-59.3	-45.8	173.3	-82	179	174.5	165.1	0	112.7	Y255 E256 N261 I262 R263	Y255-K259 HydrophobicContact CD1-CD 4.46Å; Y255-K259 HydrophobicContact CE1-CD 4.07Å; Y255-K259 PolarHBondContact O-N 3Å; Y255-K259 WeakPolarHBondContact OH-CE 3.45Å; Y255-K259 PolarHBondContact OH-NZ 2.83Å; E256-K259 PolarHBondContact O-N 3.34Å; E256-K259 IonicContact OE1-NZ 3.46Å; E256-K259 PolarHBondContact OE1-NZ 2.86Å; K259-N261 VanDerWaalsContact C-N 3.3Å; K259-N261 PolarHBondContact O-N 3.07Å; K259-I262 PolarHBondContact O-N 2.93Å; K259-R263 WeakPolarHBondContact O-CB 3.47Å; K259-R263 PolarHBondContact O-N 3.04Å
260	A	96	Very high	95.2	Very high	58 Å²	58	113 Å²	113	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-41.3	178.7	0	0	0	0	0	111.1	E256 L257 R263 F264	E256-A260 WeakPolarHBondContact O-CB 3.45Å; E256-A260 PolarHBondContact O-N 3.42Å; L257-A260 PolarHBondContact O-N 2.9Å; A260-R263 PolarHBondContact O-N 2.9Å; A260-F264 WeakPolarHBondContact O-CB 3.42Å; A260-F264 PolarHBondContact O-N 2.95Å
261	N	95.5	Very high	95.2	Very high	89 Å²	89	111.5 Å²	111.5	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-45.2	176.9	-159.3	16	0	0	0	111.3	L257 A258 K259 R263 F264 W265	L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 3.4Å; A258-N261 PolarHBondContact O-N 3.39Å; K259-N261 VanDerWaalsContact C-N 3.3Å; K259-N261 PolarHBondContact O-N 3.07Å; N261-R263 PolarHBondContact O-N 2.9Å; N261-F264 WeakPolarHBondContact O-CB 3.4Å; N261-F264 PolarHBondContact O-N 3.4Å; N261-W265 PolarHBondContact O-N 3.49Å; N261-W265 PolarHBondContact OD1-NE1 2.91Å
262	I	93.2	Very high	95.1	Very high	99 Å²	99	106.6 Å²	106.6	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-56.1	-51	174	-70.3	165.5	0	0	0	110.5	A258 K259 F264 W265 E266	A258-I262 WeakPolarHBondContact O-CG1 3.47Å; A258-I262 PolarHBondContact O-N 3.02Å; K259-I262 PolarHBondContact O-N 2.93Å; I262-F264 VanDerWaalsContact C-N 3.28Å; I262-F264 PolarHBondContact O-N 3.27Å; I262-W265 PolarHBondContact O-N 2.81Å; I262-E266 HydrophobicContact CG2-CG 4.38Å; I262-E266 WeakPolarHBondContact O-CG 3.49Å; I262-E266 PolarHBondContact O-N 3.48Å
263	R	96.6	Very high	94.9	Very high	163 Å²	163	106.4 Å²	106.4	62%	0.615	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-35.7	-179.8	-169.7	-179.8	-176	-171.2	2.1	112.7	K259 A260 N261 K267	K259-R263 WeakPolarHBondContact O-CB 3.47Å; K259-R263 PolarHBondContact O-N 3.04Å; A260-R263 PolarHBondContact O-N 2.9Å; N261-R263 PolarHBondContact O-N 2.9Å; R263-K267 WeakPolarHBondContact O-CG 3.45Å; R263-K267 PolarHBondContact O-N 3.02Å; R263-K267 VanDerWaalsContact O-N 3.1Å
264	F	97.3	Very high	94.8	Very high	114 Å²	114	104.9 Å²	104.9	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-50.9	174.5	171.3	-96.5	0	0	0	111.1	A260 N261 I262 E266 K267 Q268	A260-F264 WeakPolarHBondContact O-CB 3.42Å; A260-F264 PolarHBondContact O-N 2.95Å; N261-F264 WeakPolarHBondContact O-CB 3.4Å; N261-F264 PolarHBondContact O-N 3.4Å; I262-F264 VanDerWaalsContact C-N 3.28Å; I262-F264 PolarHBondContact O-N 3.27Å; F264-E266 VanDerWaalsContact C-N 3.33Å; F264-E266 PolarHBondContact O-N 2.9Å; F264-K267 PolarHBondContact O-N 2.84Å; F264-Q268 PolarHBondContact O-N 3.01Å
265	W	95.1	Very high	94.8	Very high	138 Å²	138	105.9 Å²	105.9	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-34.4	179.1	-72.7	112	0	0	0	113.2	N261 I262 Q268 R269	N261-W265 PolarHBondContact O-N 3.49Å; N261-W265 PolarHBondContact OD1-NE1 2.91Å; I262-W265 PolarHBondContact O-N 2.81Å; W265-Q268 PolarHBondContact O-N 2.99Å; W265-R269 VanDerWaalsContact O-CB 3.29Å; W265-R269 WeakPolarHBondContact O-CB 3.32Å; W265-R269 PolarHBondContact O-N 3.39Å
266	E	94.4	Very high	94.6	Very high	110 Å²	110	106.6 Å²	106.6	51%	0.514	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-45.9	173.6	-75.2	177.3	164.2	0	0	112	I262 F264 Q268 R269 A270	I262-E266 HydrophobicContact CG2-CG 4.38Å; I262-E266 WeakPolarHBondContact O-CG 3.49Å; I262-E266 PolarHBondContact O-N 3.48Å; F264-E266 VanDerWaalsContact C-N 3.33Å; F264-E266 PolarHBondContact O-N 2.9Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-Q268 PolarHBondContact O-N 3.08Å; E266-R269 PolarHBondContact O-N 3.48Å; E266-A270 WeakPolarHBondContact O-CB 3.3Å; E266-A270 PolarHBondContact O-N 3.16Å
267	K	95.3	Very high	94.4	Very high	134 Å²	134	104.9 Å²	104.9	58%	0.583	51%	0.511	S	S	*	.	H	α-helix	trans	-60.7	-43.7	174.5	-76.5	-179.5	179.3	-175.6	0	111.8	R263 F264 R269 A270 S271	R263-K267 WeakPolarHBondContact O-CG 3.45Å; R263-K267 PolarHBondContact O-N 3.02Å; R263-K267 VanDerWaalsContact O-N 3.1Å; F264-K267 PolarHBondContact O-N 2.84Å; K267-R269 VanDerWaalsContact C-N 3.33Å; K267-R269 PolarHBondContact O-N 2.88Å; K267-A270 PolarHBondContact O-N 3.14Å; K267-S271 WeakPolarHBondContact O-CB 3.49Å; K267-S271 PolarHBondContact O-N 3.43Å
268	Q	94.9	Very high	94.3	Very high	104 Å²	104	102.6 Å²	102.6	49%	0.486	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-44.2	178.2	-166.1	67.8	18.8	0	0	111.1	F264 W265 E266 S271 A272	F264-Q268 PolarHBondContact O-N 3.01Å; W265-Q268 PolarHBondContact O-N 2.99Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-Q268 PolarHBondContact O-N 3.08Å; Q268-S271 PolarHBondContact O-N 3.29Å; Q268-A272 WeakPolarHBondContact O-CB 3Å; Q268-A272 PolarHBondContact O-N 2.79Å
269	R	94.4	Very high	94.2	Very high	168 Å²	168	105 Å²	105	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-64.4	-44.4	178.9	-159.6	178.8	-56.6	156.1	5.8	111.7	W265 E266 K267 S271 A272 E273	W265-R269 VanDerWaalsContact O-CB 3.29Å; W265-R269 WeakPolarHBondContact O-CB 3.32Å; W265-R269 PolarHBondContact O-N 3.39Å; E266-R269 PolarHBondContact O-N 3.48Å; K267-R269 VanDerWaalsContact C-N 3.33Å; K267-R269 PolarHBondContact O-N 2.88Å; R269-S271 VanDerWaalsContact C-N 3.34Å; R269-S271 PolarHBondContact O-N 2.88Å; R269-A272 PolarHBondContact O-N 3.35Å; R269-E273 WeakPolarHBondContact O-CB 3.4Å; R269-E273 PolarHBondContact O-N 3.29Å
270	A	94.6	Very high	93.9	Very high	59 Å²	59	104.1 Å²	104.1	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-38.8	175.6	0	0	0	0	0	112.4	E266 K267 K274	E266-A270 WeakPolarHBondContact O-CB 3.3Å; E266-A270 PolarHBondContact O-N 3.16Å; K267-A270 PolarHBondContact O-N 3.14Å; A270-K274 WeakPolarHBondContact O-CB 3.37Å; A270-K274 PolarHBondContact O-N 2.85Å
271	S	93.6	Very high	93.7	Very high	71 Å²	71	105.9 Å²	105.9	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-46.3	175.5	-168.1	0	0	0	0	111.8	K267 Q268 R269 K274 E275	K267-S271 WeakPolarHBondContact O-CB 3.49Å; K267-S271 PolarHBondContact O-N 3.43Å; Q268-S271 PolarHBondContact O-N 3.29Å; R269-S271 VanDerWaalsContact C-N 3.34Å; R269-S271 PolarHBondContact O-N 2.88Å; S271-K274 PolarHBondContact O-N 3.01Å; S271-E275 PolarHBondContact O-N 2.75Å
272	A	92	Very high	93.4	Very high	52 Å²	52	108.2 Å²	108.2	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-38.4	178.2	0	0	0	0	0	112.1	Q268 R269 E275 R276	Q268-A272 WeakPolarHBondContact O-CB 3Å; Q268-A272 PolarHBondContact O-N 2.79Å; R269-A272 PolarHBondContact O-N 3.35Å; A272-E275 PolarHBondContact O-N 3.49Å; A272-R276 WeakPolarHBondContact O-CB 3.34Å; A272-R276 PolarHBondContact O-N 3.36Å
273	E	90.9	Very high	93.1	Very high	105 Å²	105	111.6 Å²	111.6	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-44	174.8	-177.5	170.4	-174.2	0	0	111.3	R269 R276 I277	R269-E273 WeakPolarHBondContact O-CB 3.4Å; R269-E273 PolarHBondContact O-N 3.29Å; E273-R276 PolarHBondContact O-N 2.98Å; E273-I277 HydrophobicContact CG-CD1 4.09Å; E273-I277 WeakPolarHBondContact O-CG1 3.3Å; E273-I277 PolarHBondContact O-N 3.35Å
274	K	94.7	Very high	92.5	Very high	133 Å²	133	107.7 Å²	107.7	58%	0.578	51%	0.509	S	S	*	.	H	α-helix	trans	-59.9	-48.9	175	-175.4	-176.6	174.4	-174.8	0	111.8	A270 S271 R276 I277 D278	A270-K274 WeakPolarHBondContact O-CB 3.37Å; A270-K274 PolarHBondContact O-N 2.85Å; S271-K274 PolarHBondContact O-N 3.01Å; K274-R276 VanDerWaalsContact C-N 3.28Å; K274-R276 PolarHBondContact O-N 3.46Å; K274-I277 PolarHBondContact O-N 2.94Å; K274-I277 VanDerWaalsContact O-N 3.1Å; K274-D278 VanDerWaalsContact O-CG 3.32Å; K274-D278 PolarHBondContact O-N 3.31Å
275	E	94.1	Very high	92	Very high	139 Å²	139	105.1 Å²	105.1	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-58.3	-40.9	177.7	-175.5	-177.9	174.2	0	0	112	S271 A272 D278 N279	S271-E275 PolarHBondContact O-N 2.75Å; A272-E275 PolarHBondContact O-N 3.49Å; E275-D278 PolarHBondContact O-N 3.45Å; E275-N279 WeakPolarHBondContact O-CB 3.42Å; E275-N279 PolarHBondContact O-N 2.92Å
276	R	91.6	Very high	91.4	Very high	150 Å²	150	102.9 Å²	102.9	57%	0.566	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-41.6	175.4	-175.9	176.7	172.2	-162.5	-9	111.7	E135 A272 E273 K274 L280	E135-R276 IonicContact OE1-CZ 3.71Å; E135-R276 IonicContact OE1-NH2 3.47Å; E135-R276 PolarHBondContact OE1-NH2 3.24Å; A272-R276 WeakPolarHBondContact O-CB 3.34Å; A272-R276 PolarHBondContact O-N 3.36Å; E273-R276 PolarHBondContact O-N 2.98Å; K274-R276 VanDerWaalsContact C-N 3.28Å; K274-R276 PolarHBondContact O-N 3.46Å; R276-L280 HydrophobicContact CG-CD1 4.45Å; R276-L280 VanDerWaalsContact O-CG 3.3Å; R276-L280 WeakPolarHBondContact O-CG 3.28Å; R276-L280 PolarHBondContact O-N 3.37Å
277	I	91.8	Very high	90.5	Very high	58 Å²	58	104 Å²	104	30%	0.297	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-48.3	176.5	-68.8	167	0	0	0	110.4	E273 K274 N279 L280 E281	E273-I277 HydrophobicContact CG-CD1 4.09Å; E273-I277 WeakPolarHBondContact O-CG1 3.3Å; E273-I277 PolarHBondContact O-N 3.35Å; K274-I277 PolarHBondContact O-N 2.94Å; K274-I277 VanDerWaalsContact O-N 3.1Å; I277-N279 VanDerWaalsContact C-N 3.28Å; I277-N279 PolarHBondContact O-N 3.19Å; I277-L280 WeakPolarHBondContact O-CB 3.33Å; I277-L280 PolarHBondContact O-N 3.04Å; I277-L280 VanDerWaalsContact O-N 3.07Å; I277-E281 HydrophobicContact CG2-CG 4.35Å; I277-E281 WeakPolarHBondContact O-CG 3.16Å; I277-E281 PolarHBondContact O-N 3.4Å
278	D	94.3	Very high	89.7	Confident	77 Å²	77	103.7 Å²	103.7	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-58.6	-40.8	178.6	-66.8	-14.9	0	0	0	110.9	K274 E275 E281 Q282	K274-D278 VanDerWaalsContact O-CG 3.32Å; K274-D278 PolarHBondContact O-N 3.31Å; E275-D278 PolarHBondContact O-N 3.45Å; D278-E281 PolarHBondContact O-N 2.65Å; D278-Q282 WeakPolarHBondContact O-CB 3.45Å; D278-Q282 PolarHBondContact O-N 3.19Å
279	N	92.9	Very high	89	Confident	99 Å²	99	108.4 Å²	108.4	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-44.4	174.2	-175.7	-89	0	0	0	112.6	E275 I277 Q282 R283	E275-N279 WeakPolarHBondContact O-CB 3.42Å; E275-N279 PolarHBondContact O-N 2.92Å; I277-N279 VanDerWaalsContact C-N 3.28Å; I277-N279 PolarHBondContact O-N 3.19Å; N279-Q282 PolarHBondContact O-N 2.86Å; N279-R283 WeakPolarHBondContact O-CB 3.37Å; N279-R283 PolarHBondContact O-N 2.86Å
280	L	88.9	Confident	87.7	Confident	66 Å²	66	105 Å²	105	35%	0.346	54%	0.541	S	S	.	.	H	α-helix	trans	-64.7	-42.3	177.6	-74	171.9	0	0	0	111.6	R276 I277 R283 L284	R276-L280 HydrophobicContact CG-CD1 4.45Å; R276-L280 VanDerWaalsContact O-CG 3.3Å; R276-L280 WeakPolarHBondContact O-CG 3.28Å; R276-L280 PolarHBondContact O-N 3.37Å; I277-L280 WeakPolarHBondContact O-CB 3.33Å; I277-L280 PolarHBondContact O-N 3.04Å; I277-L280 VanDerWaalsContact O-N 3.07Å; L280-R283 PolarHBondContact O-N 3.14Å; L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 PolarHBondContact O-N 3.44Å
281	E	91.9	Very high	86.4	Confident	96 Å²	96	107.2 Å²	107.2	45%	0.449	55%	0.55	S	S	.	*	H	α-helix	trans	-61.6	-44.1	175.6	-72.4	-172.4	167.5	0	0	111.2	I277 D278 L284 A285	I277-E281 HydrophobicContact CG2-CG 4.35Å; I277-E281 WeakPolarHBondContact O-CG 3.16Å; I277-E281 PolarHBondContact O-N 3.4Å; D278-E281 PolarHBondContact O-N 2.65Å; E281-L284 PolarHBondContact O-N 3.4Å; E281-A285 WeakPolarHBondContact O-CB 3.35Å; E281-A285 PolarHBondContact O-N 3Å
282	Q	89.7	Confident	85	Confident	137 Å²	137	109.7 Å²	109.7	64%	0.64	56%	0.564	S	S	*	*	H	α-helix	trans	-65.4	-42.1	177.6	-170.4	159.9	27.6	0	0	112.3	D278 N279 L284 A285 C286	D278-Q282 WeakPolarHBondContact O-CB 3.45Å; D278-Q282 PolarHBondContact O-N 3.19Å; N279-Q282 PolarHBondContact O-N 2.86Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 2.81Å; Q282-A285 PolarHBondContact O-N 3.49Å; Q282-C286 PolarHBondContact O-N 3.2Å; Q282-C286 PolarHBondContact O-SG 3.36Å; Q282-C286 VanDerWaalsContact O-SG 3.4Å
283	R	86.6	Confident	83.7	Confident	170 Å²	170	114.7 Å²	114.7	64%	0.642	58%	0.582	S	S	*	*	H	α-helix	trans	-62.3	-42.1	175.2	-175.4	173.3	178.8	146.5	-0.8	111.5	N279 L280 C286 L287	N279-R283 WeakPolarHBondContact O-CB 3.37Å; N279-R283 PolarHBondContact O-N 2.86Å; L280-R283 PolarHBondContact O-N 3.14Å; R283-C286 PolarHBondContact O-N 2.89Å; R283-L287 HydrophobicContact CG-CD1 4.48Å; R283-L287 WeakPolarHBondContact O-CG 3.41Å; R283-L287 PolarHBondContact O-N 2.79Å; R283-L287 VanDerWaalsContact O-N 3.1Å
284	L	84.1	Confident	82.2	Confident	82 Å²	82	117.2 Å²	117.2	43%	0.429	60%	0.599	S	S	.	*	H	α-helix	trans	-63.1	-43.1	175.6	-178.5	62.2	0	0	0	111.1	L280 E281 Q282 C286 L287 L288	L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 PolarHBondContact O-N 3.44Å; E281-L284 PolarHBondContact O-N 3.4Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 2.81Å; L284-C286 VanDerWaalsContact C-N 3.33Å; L284-C286 PolarHBondContact O-N 3.5Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L284-L288 HydrophobicContact CD1-CD1 4.02Å; L284-L288 HydrophobicContact CD1-CG 4.06Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.84Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 WeakPolarHBondContact O-CG 3.4Å; L284-L288 PolarHBondContact O-N 3.48Å
285	A	87.2	Confident	80.6	Confident	59 Å²	59	119.2 Å²	119.2	49%	0.488	61%	0.61	S	S	.	*	H	α-helix	trans	-60.3	-40.5	176.1	0	0	0	0	0	112.3	E281 Q282 L287 L288 R289	E281-A285 WeakPolarHBondContact O-CB 3.35Å; E281-A285 PolarHBondContact O-N 3Å; Q282-A285 PolarHBondContact O-N 3.49Å; A285-L287 VanDerWaalsContact C-N 3.35Å; A285-L287 PolarHBondContact O-N 3.14Å; A285-L288 PolarHBondContact O-N 2.91Å; A285-R289 PolarHBondContact O-N 3.27Å; A285-R289 VanDerWaalsContact O-N 3.09Å
286	C	80.8	Confident	79	Confident	92 Å²	92	116.3 Å²	116.3	62%	0.622	60%	0.599	S	S	*	*	H	α-helix	trans	-62.9	-39.1	173.8	-70.1	0	0	0	0	112.8	Q282 R283 L284	Q282-C286 PolarHBondContact O-N 3.2Å; Q282-C286 PolarHBondContact O-SG 3.36Å; Q282-C286 VanDerWaalsContact O-SG 3.4Å; R283-C286 PolarHBondContact O-N 2.89Å; L284-C286 VanDerWaalsContact C-N 3.33Å; L284-C286 PolarHBondContact O-N 3.5Å
287	L	76.4	Confident	77.7	Confident	133 Å²	133	114.5 Å²	114.5	70%	0.696	61%	0.606	S	S	*	*	H	α-helix	trans	-72.7	-35.8	178.9	-70.8	170.9	0	0	0	112.7	R283 L284 A285 R289	R283-L287 HydrophobicContact CG-CD1 4.48Å; R283-L287 WeakPolarHBondContact O-CG 3.41Å; R283-L287 PolarHBondContact O-N 2.79Å; R283-L287 VanDerWaalsContact O-N 3.1Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-L287 VanDerWaalsContact O-N 3.14Å; A285-L287 VanDerWaalsContact C-N 3.35Å; A285-L287 PolarHBondContact O-N 3.14Å; L287-R289 VanDerWaalsContact C-N 3.33Å
288	L	79.2	Confident	76.5	Confident	127 Å²	127	121.5 Å²	121.5	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-78.6	-17.1	179.2	-68.9	176.6	0	0	0	113.1	L284 A285 S290	L284-L288 HydrophobicContact CD1-CD1 4.02Å; L284-L288 HydrophobicContact CD1-CG 4.06Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.84Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 WeakPolarHBondContact O-CG 3.4Å; L284-L288 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 2.91Å; L288-S290 PolarHBondContact O-N 2.81Å
289	R	79.5	Confident	74.7	Confident	203 Å²	203	124 Å²	124	77%	0.766	64%	0.643	S	S	*	*	S	Bend	trans	-69.1	100.5	172.8	-172.5	172.1	174.1	-165.6	-2.5	108.5	A285 L287	A285-R289 PolarHBondContact O-N 3.27Å; A285-R289 VanDerWaalsContact O-N 3.09Å; L287-R289 VanDerWaalsContact C-N 3.33Å
290	S	67.8	Low	73.3	Confident	97 Å²	97	124.5 Å²	124.5	68%	0.678	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-52.3	124.8	171.8	56.8	0	0	0	0	108.7	L288	L288-S290 PolarHBondContact O-N 2.81Å
291	P	66.4	Low	71.6	Confident	105 Å²	105	127.1 Å²	127.1	68%	0.682	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57.5	143.5	175.6	24.1	-32	0	0	0	108.8	I293	P291-I293 PolarHBondContact O-N 3.34Å; P291-I293 VanDerWaalsContact O-N 3.07Å
292	P	65.5	Low	70.1	Confident	123 Å²	123	130 Å²	130	80%	0.799	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-56.1	122	173.3	24.6	-32.1	0	0	0	107.7	L294	P292-L294 PolarHBondContact O-N 3.08Å
293	I	63.6	Low	69	Low	157 Å²	157	128.6 Å²	128.6	81%	0.805	69%	0.687	S	S	*	*			trans	-67.1	104.5	172.6	-59.5	168.7	0	0	0	104.7	P291 E295	P291-I293 PolarHBondContact O-N 3.34Å; P291-I293 VanDerWaalsContact O-N 3.07Å; I293-E295 PolarHBondContact O-N 3.08Å; I293-E295 VanDerWaalsContact O-N 3.08Å
294	L	59.7	Low	67.4	Low	159 Å²	159	127.7 Å²	127.7	83%	0.832	69%	0.693	S	S	*	*			trans	-63.9	109.2	163.3	178.1	62.3	0	0	0	105.1	P292 D296	P292-L294 PolarHBondContact O-N 3.08Å; L294-D296 VanDerWaalsContact C-N 3.35Å; L294-D296 PolarHBondContact O-N 3.3Å
295	E	61.1	Low	66.3	Low	175 Å²	175	128.5 Å²	128.5	82%	0.818	70%	0.704	S	S	*	*			trans	-61.2	103	172.8	-67.6	-158.4	-173.8	0	0	107.3	I293 P297	I293-E295 PolarHBondContact O-N 3.08Å; I293-E295 VanDerWaalsContact O-N 3.08Å; E295-P297 VanDerWaalsContact O-CD 3.23Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å
296	D	61.1	Low	65.2	Low	77 Å²	77	134 Å²	134	41%	0.412	72%	0.723	S	S	.	*			trans	-78	109.8	165.4	-176.4	-18.3	0	0	0	106.2	L294 Y298 L299	L294-D296 VanDerWaalsContact C-N 3.35Å; L294-D296 PolarHBondContact O-N 3.3Å; D296-Y298 PolarHBondContact O-N 2.83Å; D296-Y298 WeakPolarHBondContact OD1-CB 3.25Å; D296-Y298 WeakPolarHBondContact OD1-CD2 3.08Å; D296-Y298 PolarHBondContact OD1-N 3.32Å; D296-L299 HydrophobicContact CB-CB 4.22Å; D296-L299 HydrophobicContact CB-CD1 3.94Å; D296-L299 PolarHBondContact O-N 3.04Å
297	P	63.6	Low	64.3	Low	112 Å²	112	137.4 Å²	137.4	73%	0.727	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-8.9	-176	25.3	-33.1	0	0	0	113.1	E295	E295-P297 VanDerWaalsContact O-CD 3.23Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å
298	Y	67.1	Low	63.4	Low	206 Å²	206	138.2 Å²	138.2	81%	0.808	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-8.2	178.6	-57.3	-74.3	0	0	0	114.2	D296 V300	D296-Y298 PolarHBondContact O-N 2.83Å; D296-Y298 WeakPolarHBondContact OD1-CB 3.25Å; D296-Y298 WeakPolarHBondContact OD1-CD2 3.08Å; D296-Y298 PolarHBondContact OD1-N 3.32Å; Y298-V300 PolarHBondContact O-N 3.48Å
299	L	55.8	Low	62.2	Low	128 Å²	128	138.4 Å²	138.4	67%	0.67	74%	0.743	S	S	*	*			trans	-97.1	88.8	178.6	-92.2	153.8	0	0	0	110.4	D296 P301	D296-L299 HydrophobicContact CB-CB 4.22Å; D296-L299 HydrophobicContact CB-CD1 3.94Å; D296-L299 PolarHBondContact O-N 3.04Å; L299-P301 WeakPolarHBondContact O-CD 3.3Å
300	V	64.1	Low	61	Low	110 Å²	110	136.8 Å²	136.8	67%	0.667	74%	0.738	S	S	*	*			trans	-62.2	123.9	166.8	-173.3	0	0	0	0	108.1	Y298 Q302	Y298-V300 PolarHBondContact O-N 3.48Å; V300-Q302 PolarHBondContact O-N 2.81Å
301	P	52.7	Low	60.3	Low	121 Å²	121	141.1 Å²	141.1	79%	0.786	74%	0.744	S	S	*	*			trans	-59.5	107.2	178.3	-21.3	31.5	0	0	0	110.2	L299	L299-P301 WeakPolarHBondContact O-CD 3.3Å
302	Q	61.1	Low	59.4	Low	156 Å²	156	140 Å²	140	73%	0.729	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-78.7	131.7	169.8	-66.5	-71.4	-17.5	0	0	107.8	V300 I304	V300-Q302 PolarHBondContact O-N 2.81Å; Q302-I304 PolarHBondContact O-N 2.84Å; Q302-I304 VanDerWaalsContact O-N 3.13Å
303	P	65.1	Low	58.8	Low	109 Å²	109	139.3 Å²	139.3	71%	0.708	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-56.8	122	176.8	18.2	-26.8	0	0	0	109.6	P305	P303-P305 WeakPolarHBondContact O-CD 3.19Å
304	I	53.9	Low	58.2	Low	150 Å²	150	140.8 Å²	140.8	77%	0.769	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.4	122.1	175.8	-55.8	171.7	0	0	0	106.7	Q302 I306	Q302-I304 PolarHBondContact O-N 2.84Å; Q302-I304 VanDerWaalsContact O-N 3.13Å; I304-I306 PolarHBondContact O-N 2.84Å; I304-I306 VanDerWaalsContact O-N 3.1Å
305	P	59.9	Low	57.9	Low	100 Å²	100	138.1 Å²	138.1	65%	0.649	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-54.7	120.8	174.4	-24.7	34.1	0	0	0	109.6	P303 E307	P303-P305 WeakPolarHBondContact O-CD 3.19Å; P305-E307 PolarHBondContact O-N 3.36Å; P305-E307 VanDerWaalsContact O-N 3.11Å
306	I	64.4	Low	57.5	Low	175 Å²	175	139 Å²	139	90%	0.897	72%	0.722	S	S	*	*	S	Bend	trans	-61.1	-22.2	-177	-65.8	165.2	0	0	0	111.2	I304	I304-I306 PolarHBondContact O-N 2.84Å; I304-I306 VanDerWaalsContact O-N 3.1Å
307	E	62.8	Low	57.1	Low	163 Å²	163	142.9 Å²	142.9	76%	0.762	74%	0.738	S	S	*	*	S	Bend	trans	-107.8	98.3	-179	-57.5	-175.4	-150.9	0	0	108.7	P305 P309	P305-E307 PolarHBondContact O-N 3.36Å; P305-E307 VanDerWaalsContact O-N 3.11Å; E307-P309 WeakPolarHBondContact O-CD 3.42Å; E307-P309 VanDerWaalsContact O-N 3.14Å
308	L	57.2	Low	56.4	Low	149 Å²	149	142.7 Å²	142.7	78%	0.78	74%	0.737	S	S	*	*			trans	-59.9	115.3	159.9	-72.2	171.5	0	0	0	106.1	Y310	L308-Y310 PolarHBondContact O-N 2.77Å
309	P	53.9	Low	55.8	Low	131 Å²	131	142.3 Å²	142.3	85%	0.851	74%	0.739	S	S	*	*			trans	-72.1	16.2	178.3	23.1	-17.9	0	0	0	111.8	E307 K311	E307-P309 WeakPolarHBondContact O-CD 3.42Å; E307-P309 VanDerWaalsContact O-N 3.14Å; P309-K311 VanDerWaalsContact C-N 3.26Å; P309-K311 PolarHBondContact O-N 2.82Å
310	Y	53.4	Low	55.7	Low	169 Å²	169	140 Å²	140	66%	0.663	73%	0.73	S	S	*	*			trans	-81.5	78.6	174	-158.3	-100.3	0	0	0	109.2	L308 P312	L308-Y310 PolarHBondContact O-N 2.77Å; Y310-P312 HydrophobicContact CD1-CB 4.19Å; Y310-P312 VanDerWaalsContact CE1-CA 3.49Å; Y310-P312 HydrophobicContact CE1-CB 3.79Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å
311	K	53.8	Low	55.4	Low	188 Å²	188	139.7 Å²	139.7	82%	0.817	73%	0.731	S	S	*	*			trans	-64.9	109.6	149.6	-161.5	173.7	-167.5	172.9	0	103.9	P309 V313	P309-K311 VanDerWaalsContact C-N 3.26Å; P309-K311 PolarHBondContact O-N 2.82Å; K311-V313 PolarHBondContact O-N 2.86Å
312	P	47.8	Very low	56.2	Low	83 Å²	83	138.6 Å²	138.6	54%	0.539	72%	0.722	S	S	.	*			trans	-54	110.2	178.4	20.8	-30.4	0	0	0	106	Y310 K314	Y310-P312 HydrophobicContact CD1-CB 4.19Å; Y310-P312 VanDerWaalsContact CE1-CA 3.49Å; Y310-P312 HydrophobicContact CE1-CB 3.79Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å; P312-K314 VanDerWaalsContact C-N 3.26Å; P312-K314 PolarHBondContact O-N 2.84Å
313	V	52.6	Low	57.4	Low	107 Å²	107	132.1 Å²	132.1	65%	0.648	69%	0.692	S	S	*	*			trans	-55.9	111.5	163.5	177.3	0	0	0	0	100.9	K311 V315	K311-V313 PolarHBondContact O-N 2.86Å; V313-V315 PolarHBondContact O-N 2.81Å
314	K	52	Low	58.5	Low	188 Å²	188	129.4 Å²	129.4	82%	0.817	67%	0.674	S	S	*	*			trans	-60.9	86	164.2	-67.4	-174.6	-178.9	-175.8	0	102.9	P312 K316	P312-K314 VanDerWaalsContact C-N 3.26Å; P312-K314 PolarHBondContact O-N 2.84Å; K314-K316 PolarHBondContact O-N 3.43Å
315	V	51.7	Low	60.3	Low	104 Å²	104	128.1 Å²	128.1	63%	0.63	67%	0.673	S	S	*	*			trans	-51.2	110.5	162.1	179.5	0	0	0	0	99.9	V313 E317	V313-V315 PolarHBondContact O-N 2.81Å; V315-E317 PolarHBondContact O-N 3.25Å
316	K	52.8	Low	61.8	Low	193 Å²	193	124 Å²	124	84%	0.839	65%	0.646	S	S	*	*			trans	-61.6	93.1	167.7	-69.8	179.9	-179.3	175.8	0	101.2	K314	K314-K316 PolarHBondContact O-N 3.43Å
317	E	52.8	Low	63.3	Low	159 Å²	159	119.2 Å²	119.2	74%	0.743	62%	0.624	S	S	*	*			trans	-44.3	124.2	170	-75.4	176.5	177	0	0	103.6	V315 K319	V315-E317 PolarHBondContact O-N 3.25Å; E317-K319 PolarHBondContact O-N 3.42Å
318	P	48.9	Very low	64.8	Low	107 Å²	107	115.1 Å²	115.1	70%	0.695	62%	0.619	S	S	*	*			trans	-48.1	118.2	-177.9	18.7	-29.7	0	0	0	104.9	V320	P318-V320 VanDerWaalsContact O-CG2 3.26Å; P318-V320 WeakPolarHBondContact O-CG2 3.18Å; P318-V320 PolarHBondContact O-N 2.88Å
319	K	54.8	Low	66.7	Low	199 Å²	199	112.5 Å²	112.5	87%	0.865	61%	0.61	S	S	*	*			trans	-61.5	90.1	-174.7	-74.3	-175.7	178	-176.5	0	105.6	E317	E317-K319 PolarHBondContact O-N 3.42Å
320	V	55.1	Low	68.7	Low	78 Å²	78	107.9 Å²	107.9	47%	0.473	58%	0.577	S	S	.	*			trans	-58.9	129.3	177.5	-167.2	0	0	0	0	103.7	P318 T322 T529	P318-V320 VanDerWaalsContact O-CG2 3.26Å; P318-V320 WeakPolarHBondContact O-CG2 3.18Å; P318-V320 PolarHBondContact O-N 2.88Å; V320-T322 PolarHBondContact O-N 3.17Å; V320-T529 HydrophobicContact CB-CG2 4.5Å; V320-T529 HydrophobicContact CG1-CG2 3.13Å
321	P	56.6	Low	70.7	Confident	105 Å²	105	101.9 Å²	101.9	68%	0.682	56%	0.557	S	S	*	*			trans	-55.1	104.9	-175.6	-25.3	33.4	0	0	0	109.1	T529	P321-T529 PolarHBondContact O-OG1 3.01Å
322	T	69.5	Low	72.6	Confident	97 Å²	97	95.4 Å²	95.4	60%	0.595	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-73.4	145.7	174.6	49.9	0	0	0	0	107.2	V320	V320-T322 PolarHBondContact O-N 3.17Å
323	L	86.3	Confident	74.9	Confident	21 Å²	21	95.7 Å²	95.7	11%	0.11	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-52.9	144	176.3	-72.7	170.2	0	0	0	110.2	V325 T517 F521 F530 I538 T553	L323-V325 PolarHBondContact O-N 3.5Å; L323-T517 HydrophobicContact CD1-CG2 4.05Å; L323-F521 HydrophobicContact CD1-CE2 4.01Å; L323-F521 HydrophobicContact CD2-CE2 3.75Å; L323-F521 HydrophobicContact CD2-CZ 3.89Å; L323-F521 HydrophobicContact CG-CE2 4.01Å; L323-F521 HydrophobicContact CG-CZ 4.07Å; L323-F530 HydrophobicContact CD1-CB 4.4Å; L323-I538 HydrophobicContact CD1-CD1 3.62Å; L323-I538 HydrophobicContact CD1-CG1 3.63Å; L323-T553 HydrophobicContact CD2-CG2 3.8Å
324	P	89.4	Confident	76.9	Confident	51 Å²	51	90.8 Å²	90.8	33%	0.331	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-54.8	124.3	-179	-25.8	33.8	0	0	0	111.9	L552 T553	P324-L552 HydrophobicContact CB-CB 4.12Å; P324-L552 HydrophobicContact CG-CB 4.25Å; P324-T553 HydrophobicContact CG-CG2 4.26Å
325	V	90	Very high	78.9	Confident	124 Å²	124	87.6 Å²	87.6	75%	0.752	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-83.9	136.2	174.6	-179.1	0	0	0	0	108.9	L323	L323-V325 PolarHBondContact O-N 3.5Å
326	L	92.9	Very high	80.8	Confident	13 Å²	13	85.7 Å²	85.7	7%	0.068	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-64.6	137.2	178.6	-64.7	-171.7	0	0	0	112	Q330 L331 V334 K540 Y544 L552	L326-Q330 HydrophobicContact CB-CB 4.17Å; L326-Q330 HydrophobicContact CD2-CB 4.19Å; L326-L331 HydrophobicContact CB-CD2 3.86Å; L326-L331 HydrophobicContact CB-CG 3.77Å; L326-L331 HydrophobicContact CD1-CD2 3.89Å; L326-L331 HydrophobicContact CD1-CG 4.45Å; L326-L331 HydrophobicContact CG-CD2 4.47Å; L326-V334 HydrophobicContact CD1-CG2 4.31Å; L326-K540 HydrophobicContact CD1-CB 4.03Å; L326-K540 VanDerWaalsContact CD1-O 3.32Å; L326-K540 WeakPolarHBondContact CD1-O 3.36Å; L326-Y544 HydrophobicContact CD1-CG 4.37Å; L326-Y544 HydrophobicContact CD2-CD1 4.07Å; L326-Y544 HydrophobicContact CD2-CG 3.95Å; L326-L552 HydrophobicContact CD2-CD1 3.36Å
327	T	94.6	Very high	82.7	Confident	74 Å²	74	77.4 Å²	77.4	45%	0.454	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-72.1	160.6	170.9	62.7	0	0	0	0	111.1	P329 Q330 L331	T327-P329 WeakPolarHBondContact OG1-CG 3.36Å; T327-Q330 WeakPolarHBondContact O-CB 3.43Å; T327-Q330 PolarHBondContact O-N 3.19Å; T327-Q330 VanDerWaalsContact O-N 3.1Å; T327-Q330 VanDerWaalsContact OG1-CD 3.27Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-OE1 3.36Å; T327-L331 WeakPolarHBondContact O-CG 3.47Å; T327-L331 PolarHBondContact O-N 3.11Å
328	A	95	Very high	84.5	Confident	77 Å²	77	71.4 Å²	71.4	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-51	-44.9	176.3	0	0	0	0	0	114.7	L331 A332	A328-L331 PolarHBondContact O-N 2.78Å; A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 2.82Å
329	P	96	Very high	86.3	Confident	94 Å²	94	76.4 Å²	76.4	61%	0.61	43%	0.431	S	S	*	.	H	α-helix	trans	-66.5	-36.3	176.4	24.7	-34.5	0	0	0	113	T327 A332 Q333	T327-P329 WeakPolarHBondContact OG1-CG 3.36Å; P329-A332 PolarHBondContact O-N 2.51Å; P329-Q333 PolarHBondContact O-N 3.13Å
330	Q	96.6	Very high	87.6	Confident	34 Å²	34	71 Å²	71	16%	0.159	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-40.5	176.4	-67.1	173.6	-44.4	0	0	111.5	L326 T327 Q333 V334 Y544	L326-Q330 HydrophobicContact CB-CB 4.17Å; L326-Q330 HydrophobicContact CD2-CB 4.19Å; T327-Q330 WeakPolarHBondContact O-CB 3.43Å; T327-Q330 PolarHBondContact O-N 3.19Å; T327-Q330 VanDerWaalsContact O-N 3.1Å; T327-Q330 VanDerWaalsContact OG1-CD 3.27Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-OE1 3.36Å; Q330-Q333 WeakPolarHBondContact O-CB 3.18Å; Q330-Q333 PolarHBondContact O-N 2.92Å; Q330-V334 PolarHBondContact O-N 3.32Å; Q330-Y544 HydrophobicContact CB-CD2 3.71Å; Q330-Y544 HydrophobicContact CB-CE2 3.55Å; Q330-Y544 HydrophobicContact CB-CG 4.39Å; Q330-Y544 HydrophobicContact CG-CD2 4.13Å; Q330-Y544 HydrophobicContact CG-CE1 4.34Å; Q330-Y544 HydrophobicContact CG-CE2 3.49Å; Q330-Y544 VanDerWaalsContact CG-CE2 3.49Å
331	L	95.4	Very high	89	Confident	44 Å²	44	69.6 Å²	69.6	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-62.1	-44.7	172.7	-73	170.5	0	0	0	111.6	L326 T327 A328 Q333 V334 E335 K540	L326-L331 HydrophobicContact CB-CD2 3.86Å; L326-L331 HydrophobicContact CB-CG 3.77Å; L326-L331 HydrophobicContact CD1-CD2 3.89Å; L326-L331 HydrophobicContact CD1-CG 4.45Å; L326-L331 HydrophobicContact CG-CD2 4.47Å; T327-L331 WeakPolarHBondContact O-CG 3.47Å; T327-L331 PolarHBondContact O-N 3.11Å; A328-L331 PolarHBondContact O-N 2.78Å; L331-Q333 VanDerWaalsContact C-N 3.25Å; L331-Q333 PolarHBondContact O-N 3.42Å; L331-V334 PolarHBondContact O-N 2.93Å; L331-V334 VanDerWaalsContact O-N 3.15Å; L331-E335 WeakPolarHBondContact O-CG 3.34Å; L331-E335 PolarHBondContact O-N 3.31Å; L331-K540 HydrophobicContact CD2-CB 4.21Å; L331-K540 HydrophobicContact CD2-CD 3.73Å; L331-K540 HydrophobicContact CD2-CG 4.4Å
332	A	94.8	Very high	90.7	Very high	51 Å²	51	67.7 Å²	67.7	42%	0.421	41%	0.405	S	S	.	.	H	α-helix	trans	-60.7	-35.3	177.2	0	0	0	0	0	112.2	A328 P329 E335 A336	A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 2.82Å; P329-A332 PolarHBondContact O-N 2.51Å; A332-E335 PolarHBondContact O-N 2.91Å; A332-A336 VanDerWaalsContact O-CB 3.26Å; A332-A336 WeakPolarHBondContact O-CB 3.15Å; A332-A336 PolarHBondContact O-N 3.48Å
333	Q	94.6	Very high	91.8	Very high	89 Å²	89	65.8 Å²	65.8	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-44.3	174.3	-175.8	175.1	-5.2	0	0	112	P329 Q330 L331 A336 A337	P329-Q333 PolarHBondContact O-N 3.13Å; Q330-Q333 WeakPolarHBondContact O-CB 3.18Å; Q330-Q333 PolarHBondContact O-N 2.92Å; L331-Q333 VanDerWaalsContact C-N 3.25Å; L331-Q333 PolarHBondContact O-N 3.42Å; Q333-A336 PolarHBondContact O-N 3.44Å; Q333-A337 WeakPolarHBondContact O-CB 3.33Å; Q333-A337 PolarHBondContact O-N 2.97Å
334	V	94.8	Very high	92.1	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.024	41%	0.414	C	S	.	.	H	α-helix	trans	-62.1	-45.5	174.6	173.8	0	0	0	0	110.7	L326 Q330 L331 A337 L338 M543 Y544 L547	L326-V334 HydrophobicContact CD1-CG2 4.31Å; Q330-V334 PolarHBondContact O-N 3.32Å; L331-V334 PolarHBondContact O-N 2.93Å; L331-V334 VanDerWaalsContact O-N 3.15Å; V334-A337 CarbonylContact O-C 3.52Å; V334-A337 PolarHBondContact O-N 2.93Å; V334-L338 HydrophobicContact CG1-CD1 4.08Å; V334-L338 WeakPolarHBondContact O-CG 3.23Å; V334-L338 PolarHBondContact O-N 2.96Å; V334-L338 VanDerWaalsContact O-N 3.1Å; V334-M543 HydrophobicContact CG1-CB 3.7Å; V334-M543 HydrophobicContact CG1-CE 3.9Å; V334-M543 HydrophobicContact CG1-CG 4.37Å; V334-M543 HydrophobicContact CG1-SD 3.85Å; V334-M543 HydrophobicContact CG2-CB 4.18Å; V334-Y544 HydrophobicContact CG2-CD2 4.24Å; V334-Y544 HydrophobicContact CG2-CG 4.48Å; V334-L547 HydrophobicContact CG2-CD1 4.32Å
335	E	94	Very high	92.3	Very high	122 Å²	122	70.8 Å²	70.8	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-63.9	-42	179.2	-71.8	175.9	-175	0	0	112	L331 A332 A337 L338 R339	L331-E335 WeakPolarHBondContact O-CG 3.34Å; L331-E335 PolarHBondContact O-N 3.31Å; A332-E335 PolarHBondContact O-N 2.91Å; E335-A337 VanDerWaalsContact C-N 3.31Å; E335-A337 PolarHBondContact O-N 3.28Å; E335-L338 PolarHBondContact O-N 3.33Å; E335-L338 VanDerWaalsContact O-N 3.07Å; E335-R339 WeakPolarHBondContact O-CB 3.31Å; E335-R339 PolarHBondContact O-N 3.43Å
336	A	92.4	Very high	92.5	Very high	63 Å²	63	69.3 Å²	69.3	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-43.3	174.1	0	0	0	0	0	111.3	A332 Q333 L338 R339	A332-A336 VanDerWaalsContact O-CB 3.26Å; A332-A336 WeakPolarHBondContact O-CB 3.15Å; A332-A336 PolarHBondContact O-N 3.48Å; Q333-A336 PolarHBondContact O-N 3.44Å; A336-L338 PolarHBondContact O-N 3.05Å; A336-R339 PolarHBondContact O-N 3.1Å
337	A	91.6	Very high	92.6	Very high	19 Å²	19	70.7 Å²	70.7	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-69.7	-7	175.8	0	0	0	0	0	114.1	Q333 V334 E335 R357 L547	Q333-A337 WeakPolarHBondContact O-CB 3.33Å; Q333-A337 PolarHBondContact O-N 2.97Å; V334-A337 CarbonylContact O-C 3.52Å; V334-A337 PolarHBondContact O-N 2.93Å; E335-A337 VanDerWaalsContact C-N 3.31Å; E335-A337 PolarHBondContact O-N 3.28Å; A337-R357 PolarHBondContact O-NH1 3.02Å; A337-L547 HydrophobicContact CB-CD1 3.5Å; A337-L547 VanDerWaalsContact CB-CD1 3.5Å; A337-L547 HydrophobicContact CB-CD2 3.99Å; A337-L547 HydrophobicContact CB-CG 4.41Å
338	L	91.7	Very high	92.5	Very high	34 Å²	34	67.3 Å²	67.3	18%	0.178	39%	0.39	C	S	.	.	H	α-helix	trans	-106.3	-27.7	173.3	-68.9	172.1	0	0	0	113.1	V334 E335 A336 L360 M361 T364 M543	V334-L338 HydrophobicContact CG1-CD1 4.08Å; V334-L338 WeakPolarHBondContact O-CG 3.23Å; V334-L338 PolarHBondContact O-N 2.96Å; V334-L338 VanDerWaalsContact O-N 3.1Å; E335-L338 PolarHBondContact O-N 3.33Å; E335-L338 VanDerWaalsContact O-N 3.07Å; A336-L338 PolarHBondContact O-N 3.05Å; L338-L360 HydrophobicContact CD2-CD2 4.21Å; L338-L360 HydrophobicContact CD2-CG 4.41Å; L338-M361 HydrophobicContact CD2-CG 3.91Å; L338-T364 HydrophobicContact CD1-CG2 3.65Å; L338-T364 HydrophobicContact CD2-CG2 4.04Å; L338-M543 HydrophobicContact CD1-SD 3.9Å; L338-M543 HydrophobicContact CD2-SD 4.48Å
339	R	86.3	Confident	92.5	Very high	211 Å²	211	67.6 Å²	67.6	80%	0.796	38%	0.381	S	S	*	.	H	α-helix	trans	-73.6	-38.5	-166.7	-169.5	-173.2	69.9	147.4	-0	115	E335 A336	E335-R339 WeakPolarHBondContact O-CB 3.31Å; E335-R339 PolarHBondContact O-N 3.43Å; A336-R339 PolarHBondContact O-N 3.1Å
340	T	81.5	Confident	92.3	Very high	87 Å²	87	63.8 Å²	63.8	53%	0.534	35%	0.354	S	S	.	.	S	Bend	trans	-137.3	128.4	-166.5	-50.8	0	0	0	0	110.5	R357	T340-R357 PolarHBondContact O-NH1 3.39Å; T340-R357 VanDerWaalsContact O-NH1 3.08Å; T340-R357 PolarHBondContact O-NH2 3.24Å
341	G	84.7	Confident	92	Very high	47 Å²	47	63.5 Å²	63.5	49%	0.485	35%	0.353	S	S	.	.	S	Bend	trans	139.5	170.3	178.6	0	0	0	0	0	113	E345	G341-E345 WeakPolarHBondContact CA-OE2 3.34Å
342	S	92.4	Very high	91.8	Very high	65 Å²	65	70.1 Å²	70.1	46%	0.455	38%	0.38	S	S	.	.			trans	-72.4	145.3	171.8	-179.9	0	0	0	0	109.8	D344 E345 R357	S342-D344 PolarHBondContact O-N 3.03Å; S342-D344 PolarHBondContact OG-N 3.09Å; S342-E345 WeakPolarHBondContact O-CB 3.36Å; S342-E345 PolarHBondContact O-N 2.96Å; S342-E345 VanDerWaalsContact O-N 3.12Å; S342-R357 WeakPolarHBondContact O-CD 3.05Å; S342-R357 PolarHBondContact O-NE 3.29Å
343	P	91.8	Very high	91.8	Very high	57 Å²	57	69.1 Å²	69.1	37%	0.37	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.4	170.2	-26.5	35.6	0	0	0	113	E345 T356 R357 R358	P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 3.1Å; P343-T356 PolarHBondContact O-OG1 3.03Å; P343-R357 CarbonylContact O-C 3.52Å; P343-R357 WeakPolarHBondContact O-CB 3.49Å; P343-R357 PolarHBondContact O-N 3.43Å; P343-R358 HydrophobicContact CB-CB 4.31Å; P343-R358 VanDerWaalsContact O-CB 3.29Å; P343-R358 WeakPolarHBondContact O-CB 3.47Å; P343-R358 PolarHBondContact O-N 3.26Å
344	D	93.6	Very high	91.8	Very high	98 Å²	98	67.6 Å²	67.6	52%	0.524	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.9	-177	-50.7	-47.4	0	0	0	112.6	S342 L346 R358	S342-D344 PolarHBondContact O-N 3.03Å; S342-D344 PolarHBondContact OG-N 3.09Å; D344-L346 PolarHBondContact O-N 2.98Å; D344-R358 IonicContact OD1-CZ 3.21Å; D344-R358 VanDerWaalsContact OD1-CZ 3.23Å; D344-R358 IonicContact OD1-NE 3.77Å; D344-R358 PolarHBondContact OD1-NE 3.48Å; D344-R358 IonicContact OD1-NH2 3.97Å; D344-R358 PolarHBondContact OD1-NH2 3.23Å; D344-R358 IonicContact OD2-NH2 2.77Å; D344-R358 PolarHBondContact OD2-NH2 3.3Å
345	E	94.1	Very high	91.9	Very high	80 Å²	80	67.5 Å²	67.5	37%	0.374	36%	0.363	S	S	.	.			trans	-68.8	125.7	173	-175.2	-175.5	164.5	0	0	110.5	G341 S342 P343 L347 T356 R357	G341-E345 WeakPolarHBondContact CA-OE2 3.34Å; S342-E345 WeakPolarHBondContact O-CB 3.36Å; S342-E345 PolarHBondContact O-N 2.96Å; S342-E345 VanDerWaalsContact O-N 3.12Å; P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 3.1Å; E345-L347 PolarHBondContact O-N 3.38Å; E345-T356 CarbonylContact O-C 3.43Å; E345-T356 WeakPolarHBondContact O-CA 3.45Å; E345-T356 VanDerWaalsContact O-CB 3.27Å; E345-T356 WeakPolarHBondContact O-CB 3.45Å; E345-R357 PolarHBondContact O-N 3.21Å; E345-R357 IonicContact OE1-NH2 3.93Å; E345-R357 PolarHBondContact OE1-NH2 3.44Å; E345-R357 IonicContact OE2-CZ 3.95Å; E345-R357 IonicContact OE2-NE 3.56Å; E345-R357 PolarHBondContact OE2-NE 3.09Å; E345-R357 IonicContact OE2-NH2 3.78Å; E345-R357 PolarHBondContact OE2-NH2 3.16Å
346	L	93.5	Very high	92	Very high	92 Å²	92	62.6 Å²	62.6	48%	0.482	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	121.7	174.5	-177.1	158.9	0	0	0	109.9	D344 D349 V354	D344-L346 PolarHBondContact O-N 2.98Å; L346-D349 HydrophobicContact CD1-CB 4.08Å; L346-D349 HydrophobicContact CD2-CB 4.11Å; L346-D349 HydrophobicContact CG-CB 4.43Å; L346-V354 HydrophobicContact CB-CG1 4.3Å; L346-V354 HydrophobicContact CD1-CG1 3.6Å; L346-V354 HydrophobicContact CD1-CG2 4.39Å; L346-V354 HydrophobicContact CG-CG1 3.72Å
347	L	94.1	Very high	92.2	Very high	42 Å²	42	60 Å²	60	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-38.8	175.5	-60.3	-177.5	0	0	0	111.6	E345 V355 R357 L360 L547	E345-L347 PolarHBondContact O-N 3.38Å; L347-V355 PolarHBondContact N-O 2.79Å; L347-R357 HydrophobicContact CD1-CB 3.95Å; L347-R357 HydrophobicContact CD1-CG 4.48Å; L347-R357 HydrophobicContact CG-CB 4.29Å; L347-L360 HydrophobicContact CD1-CB 4.19Å; L347-L360 HydrophobicContact CD1-CD2 3.58Å; L347-L547 HydrophobicContact CB-CD2 4.13Å; L347-L547 HydrophobicContact CD1-CD2 4.1Å
348	V	93.7	Very high	92.4	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135.6	-179.5	-176.8	0	0	0	0	109.9	K350 V354 V355 F376 I546 Q549	V348-K350 HydrophobicContact CG1-CG 4.1Å; V348-V354 CarbonylContact O-C 3.52Å; V348-V354 WeakPolarHBondContact O-CA 3.34Å; V348-V355 HydrophobicContact CB-CB 4.28Å; V348-V355 PolarHBondContact N-O 3.13Å; V348-V355 VanDerWaalsContact N-O 3.13Å; V348-V355 PolarHBondContact O-N 3.23Å; V348-F376 HydrophobicContact CB-CE2 4.45Å; V348-F376 HydrophobicContact CB-CZ 4.43Å; V348-F376 HydrophobicContact CG1-CE1 4.46Å; V348-F376 HydrophobicContact CG1-CE2 3.56Å; V348-F376 HydrophobicContact CG1-CZ 3.42Å; V348-F376 VanDerWaalsContact CG1-CZ 3.42Å; V348-I546 HydrophobicContact CG2-CG2 4.36Å; V348-I546 WeakPolarHBondContact CG2-O 3.42Å; V348-Q549 HydrophobicContact CG1-CG 4.16Å
349	D	94.1	Very high	92.6	Very high	83 Å²	83	64.9 Å²	64.9	44%	0.444	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	100.6	173	-175.6	7.2	0	0	0	108.7	L346 V354	L346-D349 HydrophobicContact CD1-CB 4.08Å; L346-D349 HydrophobicContact CD2-CB 4.11Å; L346-D349 HydrophobicContact CG-CB 4.43Å; D349-V354 HydrophobicContact CB-CG2 4.42Å
350	K	93.1	Very high	93.1	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.8	178.8	-62.5	-67.3	176.8	178.5	0	109.4	V348 K352 L353 F376 Q549 L558 D560 D563	V348-K350 HydrophobicContact CG1-CG 4.1Å; K350-K352 PolarHBondContact O-N 3.48Å; K350-K352 VanDerWaalsContact O-N 3.14Å; K350-L353 PolarHBondContact N-O 3.32Å; K350-L353 WeakPolarHBondContact O-CA 3.39Å; K350-L353 WeakPolarHBondContact O-CB 3.39Å; K350-L353 PolarHBondContact O-N 2.94Å; K350-F376 HydrophobicContact CB-CE2 3.85Å; K350-F376 HydrophobicContact CB-CZ 4.2Å; K350-Q549 HydrophobicContact CG-CG 4.4Å; K350-L558 HydrophobicContact CB-CD2 4.16Å; K350-L558 HydrophobicContact CD-CD2 3.94Å; K350-L558 HydrophobicContact CG-CD2 3.89Å; K350-D560 IonicContact NZ-OD1 2.85Å; K350-D560 PolarHBondContact NZ-OD1 3.19Å; K350-D563 VanDerWaalsContact CD-CG 3.45Å; K350-D563 WeakPolarHBondContact CD-OD1 3.18Å; K350-D563 WeakPolarHBondContact CD-OD2 3.39Å; K350-D563 WeakPolarHBondContact CE-OD2 3.32Å; K350-D563 IonicContact NZ-OD1 3.27Å; K350-D563 IonicContact NZ-OD2 3.26Å; K350-D563 PolarHBondContact NZ-OD2 3.18Å
351	F	90.4	Very high	93.9	Very high	28 Å²	28	54 Å²	54	12%	0.123	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	22.2	-179.9	-40.4	-56.6	0	0	0	114.5	L353 F376 Q379 L380 R383 L558	F351-L353 HydrophobicContact CB-CD1 4.41Å; F351-L353 HydrophobicContact CB-CG 4.48Å; F351-L353 PolarHBondContact O-N 3.49Å; F351-F376 HydrophobicContact CD2-CD2 4.1Å; F351-F376 AromaticContact CD2-CE2 3.98Å; F351-F376 HydrophobicContact CD2-CE2 3.98Å; F351-F376 HydrophobicContact CD2-CZ 4.37Å; F351-F376 HydrophobicContact CE2-CE1 4.39Å; F351-F376 HydrophobicContact CE2-CE2 4.16Å; F351-F376 HydrophobicContact CE2-CZ 4.07Å; F351-Q379 HydrophobicContact CB-CB 4.34Å; F351-Q379 HydrophobicContact CD2-CB 3.63Å; F351-Q379 HydrophobicContact CE2-CB 4Å; F351-Q379 HydrophobicContact CG-CB 3.91Å; F351-L380 HydrophobicContact CE2-CB 4.23Å; F351-L380 HydrophobicContact CZ-CB 4.46Å; F351-L380 HydrophobicContact CZ-CD1 4.25Å; F351-R383 HydrophobicContact CE1-CB 4.2Å; F351-R383 HydrophobicContact CE1-CG 3.91Å; F351-R383 HydrophobicContact CZ-CB 4.34Å; F351-R383 HydrophobicContact CZ-CG 4.49Å; F351-L558 HydrophobicContact CE1-CD1 4.18Å; F351-L558 HydrophobicContact CE1-CD2 3.91Å; F351-L558 HydrophobicContact CE2-CD2 4.46Å; F351-L558 HydrophobicContact CZ-CD1 4.25Å; F351-L558 HydrophobicContact CZ-CD2 3.65Å
352	K	91	Very high	94.5	Very high	183 Å²	183	52.9 Å²	52.9	80%	0.796	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	26.4	-169.1	-50.5	172.6	-178.3	171.9	0	112.9	K350	K350-K352 PolarHBondContact O-N 3.48Å; K350-K352 VanDerWaalsContact O-N 3.14Å
353	L	93.7	Very high	94.7	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.1	176.2	-62.8	174.7	0	0	0	108.5	K350 F351 M372 N375 F376 Q379	K350-L353 PolarHBondContact N-O 3.32Å; K350-L353 WeakPolarHBondContact O-CA 3.39Å; K350-L353 WeakPolarHBondContact O-CB 3.39Å; K350-L353 PolarHBondContact O-N 2.94Å; F351-L353 HydrophobicContact CB-CD1 4.41Å; F351-L353 HydrophobicContact CB-CG 4.48Å; F351-L353 PolarHBondContact O-N 3.49Å; L353-M372 HydrophobicContact CB-CE 4.04Å; L353-M372 HydrophobicContact CD2-CE 3.94Å; L353-M372 HydrophobicContact CD2-SD 4.17Å; L353-N375 HydrophobicContact CD1-CB 3.87Å; L353-F376 HydrophobicContact CB-CD2 4.12Å; L353-F376 HydrophobicContact CD1-CB 4.24Å; L353-Q379 HydrophobicContact CD1-CG 4.33Å
354	V	95.1	Very high	94.8	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.345	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.2	176.9	177.9	0	0	0	0	108.4	L346 V348 D349 T356 M372	L346-V354 HydrophobicContact CB-CG1 4.3Å; L346-V354 HydrophobicContact CD1-CG1 3.6Å; L346-V354 HydrophobicContact CD1-CG2 4.39Å; L346-V354 HydrophobicContact CG-CG1 3.72Å; V348-V354 CarbonylContact O-C 3.52Å; V348-V354 WeakPolarHBondContact O-CA 3.34Å; D349-V354 HydrophobicContact CB-CG2 4.42Å; V354-T356 HydrophobicContact CG1-CG2 4.23Å; V354-M372 WeakPolarHBondContact O-CE 3.21Å
355	V	96.7	Very high	94.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.4	173.6	-176	0	0	0	0	108.1	L347 V348 E359 F376 I546	L347-V355 PolarHBondContact N-O 2.79Å; V348-V355 HydrophobicContact CB-CB 4.28Å; V348-V355 PolarHBondContact N-O 3.13Å; V348-V355 VanDerWaalsContact N-O 3.13Å; V348-V355 PolarHBondContact O-N 3.23Å; V355-E359 HydrophobicContact CG1-CB 4.06Å; V355-F376 HydrophobicContact CG2-CB 3.91Å; V355-F376 HydrophobicContact CG2-CD1 4.44Å; V355-F376 HydrophobicContact CG2-CD2 3.51Å; V355-F376 HydrophobicContact CG2-CE2 4.14Å; V355-F376 HydrophobicContact CG2-CG 3.69Å; V355-I546 HydrophobicContact CG1-CG2 4.18Å; V355-I546 HydrophobicContact CG2-CG2 4.44Å
356	T	96.8	Very high	94.6	Very high	19 Å²	19	48.4 Å²	48.4	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	171.9	172.7	81.3	0	0	0	0	111	P343 E345 V354 R358 E359 L360	P343-T356 PolarHBondContact O-OG1 3.03Å; E345-T356 CarbonylContact O-C 3.43Å; E345-T356 WeakPolarHBondContact O-CA 3.45Å; E345-T356 VanDerWaalsContact O-CB 3.27Å; E345-T356 WeakPolarHBondContact O-CB 3.45Å; V354-T356 HydrophobicContact CG1-CG2 4.23Å; T356-R358 PolarHBondContact O-N 3.05Å; T356-R358 WeakPolarHBondContact OG1-CB 3.43Å; T356-R358 PolarHBondContact OG1-N 3.39Å; T356-E359 WeakPolarHBondContact CA-OE2 3.3Å; T356-E359 WeakPolarHBondContact CB-OE2 3.33Å; T356-E359 WeakPolarHBondContact CG2-OE2 3.02Å; T356-E359 PolarHBondContact N-OE2 3.07Å; T356-E359 PolarHBondContact O-N 3.33Å; T356-E359 PolarHBondContact OG1-OE2 3.21Å; T356-L360 PolarHBondContact O-N 3.48Å
357	R	95.6	Very high	94.7	Very high	9 Å²	9	47.6 Å²	47.6	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-55.6	-36.6	172.7	-175.2	-175.4	-56.3	-76.5	-9.8	112.3	A337 T340 S342 P343 E345 L347 L360 M361	A337-R357 PolarHBondContact O-NH1 3.02Å; T340-R357 PolarHBondContact O-NH1 3.39Å; T340-R357 VanDerWaalsContact O-NH1 3.08Å; T340-R357 PolarHBondContact O-NH2 3.24Å; S342-R357 WeakPolarHBondContact O-CD 3.05Å; S342-R357 PolarHBondContact O-NE 3.29Å; P343-R357 CarbonylContact O-C 3.52Å; P343-R357 WeakPolarHBondContact O-CB 3.49Å; P343-R357 PolarHBondContact O-N 3.43Å; E345-R357 PolarHBondContact O-N 3.21Å; E345-R357 IonicContact OE1-NH2 3.93Å; E345-R357 PolarHBondContact OE1-NH2 3.44Å; E345-R357 IonicContact OE2-CZ 3.95Å; E345-R357 IonicContact OE2-NE 3.56Å; E345-R357 PolarHBondContact OE2-NE 3.09Å; E345-R357 IonicContact OE2-NH2 3.78Å; E345-R357 PolarHBondContact OE2-NH2 3.16Å; L347-R357 HydrophobicContact CD1-CB 3.95Å; L347-R357 HydrophobicContact CD1-CG 4.48Å; L347-R357 HydrophobicContact CG-CB 4.29Å; R357-L360 PolarHBondContact O-N 3.14Å; R357-M361 HydrophobicContact CG-CE 3.91Å; R357-M361 HydrophobicContact CG-SD 4.44Å; R357-M361 WeakPolarHBondContact O-CB 3.45Å; R357-M361 VanDerWaalsContact O-CG 3.27Å; R357-M361 WeakPolarHBondContact O-CG 3.45Å; R357-M361 PolarHBondContact O-N 3.46Å
358	R	96.1	Very high	94.8	Very high	123 Å²	123	52.1 Å²	52.1	46%	0.464	27%	0.269	S	S	.	.	H	α-helix	trans	-59.9	-48.4	177	-179.2	-174.4	-59.8	-90	1.8	111.3	P343 D344 T356 M361	P343-R358 HydrophobicContact CB-CB 4.31Å; P343-R358 VanDerWaalsContact O-CB 3.29Å; P343-R358 WeakPolarHBondContact O-CB 3.47Å; P343-R358 PolarHBondContact O-N 3.26Å; D344-R358 IonicContact OD1-CZ 3.21Å; D344-R358 VanDerWaalsContact OD1-CZ 3.23Å; D344-R358 IonicContact OD1-NE 3.77Å; D344-R358 PolarHBondContact OD1-NE 3.48Å; D344-R358 IonicContact OD1-NH2 3.97Å; D344-R358 PolarHBondContact OD1-NH2 3.23Å; D344-R358 IonicContact OD2-NH2 2.77Å; D344-R358 PolarHBondContact OD2-NH2 3.3Å; T356-R358 PolarHBondContact O-N 3.05Å; T356-R358 WeakPolarHBondContact OG1-CB 3.43Å; T356-R358 PolarHBondContact OG1-N 3.39Å; R358-M361 WeakPolarHBondContact O-CB 3.44Å; R358-M361 PolarHBondContact O-N 3.12Å
359	E	97.2	Very high	95	Very high	32 Å²	32	52.3 Å²	52.3	15%	0.15	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.4	-73.6	71.5	-120.4	0	0	110.5	V355 T356 M361 T362 M372 V373	V355-E359 HydrophobicContact CG1-CB 4.06Å; T356-E359 WeakPolarHBondContact CA-OE2 3.3Å; T356-E359 WeakPolarHBondContact CB-OE2 3.33Å; T356-E359 WeakPolarHBondContact CG2-OE2 3.02Å; T356-E359 PolarHBondContact N-OE2 3.07Å; T356-E359 PolarHBondContact O-N 3.33Å; T356-E359 PolarHBondContact OG1-OE2 3.21Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.03Å; E359-T362 VanDerWaalsContact O-CB 3.31Å; E359-T362 WeakPolarHBondContact O-CB 3.19Å; E359-T362 WeakPolarHBondContact O-CG2 2.95Å; E359-T362 PolarHBondContact O-N 2.91Å; E359-T362 PolarHBondContact O-OG1 2.96Å; E359-M372 HydrophobicContact CB-CB 4.45Å; E359-M372 HydrophobicContact CG-CB 3.68Å; E359-M372 HydrophobicContact CG-CG 4.16Å; E359-V373 HydrophobicContact CB-CG2 3.99Å; E359-V373 VanDerWaalsContact O-CG2 3.23Å; E359-V373 WeakPolarHBondContact O-CG2 3.42Å
360	L	96.9	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-36.3	177.9	-165.9	72	0	0	0	112.2	L338 L347 T356 R357 T362 L363 M543 I546 L547	L338-L360 HydrophobicContact CD2-CD2 4.21Å; L338-L360 HydrophobicContact CD2-CG 4.41Å; L347-L360 HydrophobicContact CD1-CB 4.19Å; L347-L360 HydrophobicContact CD1-CD2 3.58Å; T356-L360 PolarHBondContact O-N 3.48Å; R357-L360 PolarHBondContact O-N 3.14Å; L360-T362 PolarHBondContact O-N 2.96Å; L360-T362 VanDerWaalsContact O-N 3.16Å; L360-L363 HydrophobicContact CD1-CD1 4.28Å; L360-L363 WeakPolarHBondContact O-CB 3.44Å; L360-L363 PolarHBondContact O-N 3.42Å; L360-M543 HydrophobicContact CD1-CB 4.09Å; L360-M543 HydrophobicContact CD1-CG 3.96Å; L360-M543 HydrophobicContact CG-CG 4.2Å; L360-I546 HydrophobicContact CD1-CB 4.46Å; L360-I546 HydrophobicContact CD1-CG2 4.29Å; L360-L547 HydrophobicContact CD2-CD1 3.97Å; L360-L547 HydrophobicContact CD2-CD2 3.82Å; L360-L547 HydrophobicContact CD2-CG 3.92Å
361	M	96.3	Very high	95.2	Very high	70 Å²	70	51 Å²	51	35%	0.345	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-20.2	175.9	-79.8	179.9	174.1	0	0	113.4	L338 R357 R358 E359 L363 T364 N367	L338-M361 HydrophobicContact CD2-CG 3.91Å; R357-M361 HydrophobicContact CG-CE 3.91Å; R357-M361 HydrophobicContact CG-SD 4.44Å; R357-M361 WeakPolarHBondContact O-CB 3.45Å; R357-M361 VanDerWaalsContact O-CG 3.27Å; R357-M361 WeakPolarHBondContact O-CG 3.45Å; R357-M361 PolarHBondContact O-N 3.46Å; R358-M361 WeakPolarHBondContact O-CB 3.44Å; R358-M361 PolarHBondContact O-N 3.12Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.03Å; M361-L363 PolarHBondContact O-N 2.92Å; M361-T364 WeakPolarHBondContact O-CB 3.42Å; M361-T364 PolarHBondContact O-N 3.03Å; M361-T364 PolarHBondContact O-OG1 3.13Å; M361-N367 PolarHBondContact O-ND2 3.41Å
362	T	97.3	Very high	95.6	Very high	24 Å²	24	51.7 Å²	51.7	15%	0.147	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	173.7	69.2	0	0	0	0	113.4	E359 L360 T364 N367 W368 L369 S370 R539	E359-T362 VanDerWaalsContact O-CB 3.31Å; E359-T362 WeakPolarHBondContact O-CB 3.19Å; E359-T362 WeakPolarHBondContact O-CG2 2.95Å; E359-T362 PolarHBondContact O-N 2.91Å; E359-T362 PolarHBondContact O-OG1 2.96Å; L360-T362 PolarHBondContact O-N 2.96Å; L360-T362 VanDerWaalsContact O-N 3.16Å; T362-T364 VanDerWaalsContact C-N 3.3Å; T362-N367 VanDerWaalsContact O-CB 3.3Å; T362-N367 WeakPolarHBondContact O-CB 3.36Å; T362-W368 VanDerWaalsContact CB-O 3.3Å; T362-W368 WeakPolarHBondContact CB-O 3.43Å; T362-L369 WeakPolarHBondContact O-CD2 3.17Å; T362-S370 PolarHBondContact OG1-N 2.83Å; T362-R539 PolarHBondContact O-NH1 2.91Å
363	L	97.1	Very high	95.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.2	172.1	-73.7	160.8	0	0	0	113	L360 M361 L369 V373 R539 M542 M543 I546	L360-L363 HydrophobicContact CD1-CD1 4.28Å; L360-L363 WeakPolarHBondContact O-CB 3.44Å; L360-L363 PolarHBondContact O-N 3.42Å; M361-L363 PolarHBondContact O-N 2.92Å; L363-L369 HydrophobicContact CD2-CD1 4.11Å; L363-L369 HydrophobicContact CD2-CD2 3.56Å; L363-L369 HydrophobicContact CG-CD2 3.96Å; L363-V373 HydrophobicContact CD1-CG1 3.83Å; L363-V373 HydrophobicContact CD2-CG1 4.36Å; L363-V373 HydrophobicContact CG-CG1 4.09Å; L363-R539 HydrophobicContact CD2-CG 4.45Å; L363-R539 WeakPolarHBondContact O-CB 3.14Å; L363-R539 WeakPolarHBondContact O-CD 3.34Å; L363-R539 PolarHBondContact O-NH1 2.92Å; L363-M542 HydrophobicContact CD1-CB 4.08Å; L363-M542 HydrophobicContact CD2-CB 4Å; L363-M542 HydrophobicContact CD2-CE 3.95Å; L363-M542 HydrophobicContact CD2-SD 3.99Å; L363-M543 HydrophobicContact CB-CE 4.41Å; L363-M543 HydrophobicContact CB-CG 3.44Å; L363-M543 VanDerWaalsContact CB-CG 3.44Å; L363-M543 HydrophobicContact CB-SD 3.81Å; L363-M543 HydrophobicContact CD1-CB 4.44Å; L363-M543 HydrophobicContact CD1-CG 3.55Å; L363-M543 HydrophobicContact CG-CG 4.11Å; L363-I546 HydrophobicContact CD1-CD1 3.84Å
364	T	94.9	Very high	96.1	Very high	41 Å²	41	41.6 Å²	41.6	25%	0.252	22%	0.224	S	C	.	.	S	Bend	trans	-80.3	144.9	179.3	68.5	0	0	0	0	112.4	L338 M361 T362 T366 N367 M543	L338-T364 HydrophobicContact CD1-CG2 3.65Å; L338-T364 HydrophobicContact CD2-CG2 4.04Å; M361-T364 WeakPolarHBondContact O-CB 3.42Å; M361-T364 PolarHBondContact O-N 3.03Å; M361-T364 PolarHBondContact O-OG1 3.13Å; T362-T364 VanDerWaalsContact C-N 3.3Å; T364-T366 PolarHBondContact O-N 3.28Å; T364-N367 WeakPolarHBondContact O-CB 3.45Å; T364-N367 PolarHBondContact O-N 2.69Å; T364-N367 PolarHBondContact O-ND2 3.26Å; T364-N367 PolarHBondContact OG1-ND2 3.1Å; T364-M543 HydrophobicContact CG2-SD 4.05Å
365	G	92	Very high	96.3	Very high	61 Å²	61	39.3 Å²	39.3	63%	0.629	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	-131.2	176	0	0	0	0	0	113.3	R539	G365-R539 WeakPolarHBondContact O-CD 3.46Å; G365-R539 PolarHBondContact O-NE 2.78Å
366	T	92	Very high	96.4	Very high	102 Å²	102	39.2 Å²	39.2	63%	0.626	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	36.8	179.1	56	0	0	0	0	111.2	T364 S509	T364-T366 PolarHBondContact O-N 3.28Å; T366-S509 WeakPolarHBondContact CB-OG 3.26Å; T366-S509 WeakPolarHBondContact O-CB 3.49Å
367	N	94.9	Very high	96.5	Very high	75 Å²	75	38.3 Å²	38.3	40%	0.401	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-78.5	149.6	177.2	-67.2	-31.1	0	0	0	111.2	M361 T362 T364 R539	M361-N367 PolarHBondContact O-ND2 3.41Å; T362-N367 VanDerWaalsContact O-CB 3.3Å; T362-N367 WeakPolarHBondContact O-CB 3.36Å; T364-N367 WeakPolarHBondContact O-CB 3.45Å; T364-N367 PolarHBondContact O-N 2.69Å; T364-N367 PolarHBondContact O-ND2 3.26Å; T364-N367 PolarHBondContact OG1-ND2 3.1Å; N367-R539 PolarHBondContact O-NH1 3.48Å; N367-R539 VanDerWaalsContact O-NH1 3.15Å; N367-R539 PolarHBondContact O-NH2 2.71Å
368	W	95.8	Very high	96.6	Very high	137 Å²	137	37.9 Å²	37.9	52%	0.519	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-72.9	137	169.7	-68	-2.8	0	0	0	110.3	T362 M440 G508	T362-W368 VanDerWaalsContact CB-O 3.3Å; T362-W368 WeakPolarHBondContact CB-O 3.43Å; W368-M440 HydrophobicContact CH2-CB 4.21Å; W368-M440 HydrophobicContact CH2-CG 4.31Å; W368-G508 PolarHBondContact NE1-O 3.27Å
369	L	97.1	Very high	96.7	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-70.6	140	179	-58.9	-161.7	0	0	0	111.2	T362 L363 V373 I374 W442 V513 M542	T362-L369 WeakPolarHBondContact O-CD2 3.17Å; L363-L369 HydrophobicContact CD2-CD1 4.11Å; L363-L369 HydrophobicContact CD2-CD2 3.56Å; L363-L369 HydrophobicContact CG-CD2 3.96Å; L369-V373 HydrophobicContact CD1-CG1 4.35Å; L369-I374 HydrophobicContact CB-CD1 4.24Å; L369-I374 HydrophobicContact CB-CG1 4.19Å; L369-I374 HydrophobicContact CD1-CG1 4.34Å; L369-W442 PolarHBondContact O-NE1 2.78Å; L369-V513 HydrophobicContact CD1-CG2 3.89Å; L369-V513 HydrophobicContact CD2-CG2 4.04Å; L369-V513 HydrophobicContact CG-CG2 4.09Å; L369-M542 HydrophobicContact CD1-CE 4.18Å
370	S	95.9	Very high	96.6	Very high	24 Å²	24	32.9 Å²	32.9	17%	0.168	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-70.8	147.5	165.6	164.1	0	0	0	0	110.4	T362 M372 V373 I374	T362-S370 PolarHBondContact OG1-N 2.83Å; S370-M372 PolarHBondContact O-N 2.49Å; S370-M372 PolarHBondContact OG-N 3.33Å; S370-M372 VanDerWaalsContact OG-N 3.08Å; S370-V373 WeakPolarHBondContact O-CB 3.29Å; S370-V373 PolarHBondContact O-N 3.25Å; S370-V373 VanDerWaalsContact O-N 3.12Å; S370-I374 PolarHBondContact O-N 3.04Å
371	D	97.1	Very high	96.7	Very high	46 Å²	46	32.9 Å²	32.9	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-52.6	-35.8	168.2	62.5	-55.7	0	0	0	112.9	V373 I374 N375 T399 F400 W442	D371-V373 PolarHBondContact O-N 2.78Å; D371-I374 PolarHBondContact O-N 3.21Å; D371-N375 VanDerWaalsContact O-CB 3.3Å; D371-N375 WeakPolarHBondContact O-CB 3.49Å; D371-N375 VanDerWaalsContact O-CG 3.28Å; D371-N375 PolarHBondContact O-N 2.6Å; D371-N375 PolarHBondContact O-ND2 3.32Å; D371-T399 HydrophobicContact CB-CG2 4.26Å; D371-F400 WeakPolarHBondContact OD2-CZ 3.45Å; D371-W442 HydrophobicContact CB-CH2 4.18Å; D371-W442 HydrophobicContact CB-CZ2 4.45Å
372	M	97.2	Very high	96.7	Very high	43 Å²	43	30.2 Å²	30.2	21%	0.212	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-41.8	176.3	-72.8	-60.4	-68.4	0	0	111.9	L353 V354 E359 S370 F376	L353-M372 HydrophobicContact CB-CE 4.04Å; L353-M372 HydrophobicContact CD2-CE 3.94Å; L353-M372 HydrophobicContact CD2-SD 4.17Å; V354-M372 WeakPolarHBondContact O-CE 3.21Å; E359-M372 HydrophobicContact CB-CB 4.45Å; E359-M372 HydrophobicContact CG-CB 3.68Å; E359-M372 HydrophobicContact CG-CG 4.16Å; S370-M372 PolarHBondContact O-N 2.49Å; S370-M372 PolarHBondContact OG-N 3.33Å; S370-M372 VanDerWaalsContact OG-N 3.08Å; M372-F376 WeakPolarHBondContact O-CB 3.19Å; M372-F376 PolarHBondContact O-N 3.18Å
373	V	98.3	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-45.2	175.8	174.3	0	0	0	0	110.9	E359 L363 L369 S370 D371 Y377 I546	E359-V373 HydrophobicContact CB-CG2 3.99Å; E359-V373 VanDerWaalsContact O-CG2 3.23Å; E359-V373 WeakPolarHBondContact O-CG2 3.42Å; L363-V373 HydrophobicContact CD1-CG1 3.83Å; L363-V373 HydrophobicContact CD2-CG1 4.36Å; L363-V373 HydrophobicContact CG-CG1 4.09Å; L369-V373 HydrophobicContact CD1-CG1 4.35Å; S370-V373 WeakPolarHBondContact O-CB 3.29Å; S370-V373 PolarHBondContact O-N 3.25Å; S370-V373 VanDerWaalsContact O-N 3.12Å; D371-V373 PolarHBondContact O-N 2.78Å; V373-Y377 VanDerWaalsContact O-CB 3.27Å; V373-Y377 WeakPolarHBondContact O-CB 3.37Å; V373-Y377 PolarHBondContact O-N 3.25Å; V373-I546 HydrophobicContact CG1-CD1 3.87Å
374	I	98.7	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-50.2	179.7	-66	170.5	0	0	0	110.7	L369 S370 D371 F376 Y377 L378 T399 P434 W442 L515	L369-I374 HydrophobicContact CB-CD1 4.24Å; L369-I374 HydrophobicContact CB-CG1 4.19Å; L369-I374 HydrophobicContact CD1-CG1 4.34Å; S370-I374 PolarHBondContact O-N 3.04Å; D371-I374 PolarHBondContact O-N 3.21Å; I374-F376 PolarHBondContact O-N 3.12Å; I374-Y377 PolarHBondContact O-N 3.38Å; I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.93Å; I374-T399 HydrophobicContact CB-CG2 4.1Å; I374-T399 HydrophobicContact CG2-CG2 3.76Å; I374-P434 HydrophobicContact CG2-CB 4.15Å; I374-P434 HydrophobicContact CG2-CG 4.16Å; I374-W442 HydrophobicContact CD1-CD2 3.43Å; I374-W442 VanDerWaalsContact CD1-CD2 3.43Å; I374-W442 VanDerWaalsContact CD1-CE2 3.4Å; I374-W442 HydrophobicContact CD1-CE3 3.79Å; I374-W442 HydrophobicContact CD1-CG 3.84Å; I374-W442 HydrophobicContact CD1-CH2 4.12Å; I374-W442 HydrophobicContact CD1-CZ2 3.78Å; I374-W442 HydrophobicContact CD1-CZ3 4.1Å; I374-L515 HydrophobicContact CG2-CD2 3.75Å
375	N	98.5	Very high	96.5	Very high	9 Å²	9	29 Å²	29	5%	0.048	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-47.2	178.8	-75.6	-43.1	0	0	0	111	L353 D371 Q379 S398 T399	L353-N375 HydrophobicContact CD1-CB 3.87Å; D371-N375 VanDerWaalsContact O-CB 3.3Å; D371-N375 WeakPolarHBondContact O-CB 3.49Å; D371-N375 VanDerWaalsContact O-CG 3.28Å; D371-N375 PolarHBondContact O-N 2.6Å; D371-N375 PolarHBondContact O-ND2 3.32Å; N375-Q379 WeakPolarHBondContact O-CB 3.3Å; N375-Q379 WeakPolarHBondContact O-CG 3.44Å; N375-Q379 PolarHBondContact O-N 3.44Å; N375-S398 VanDerWaalsContact OD1-CA 3.31Å; N375-S398 WeakPolarHBondContact OD1-CA 3.29Å; N375-T399 PolarHBondContact ND2-OG1 2.99Å; N375-T399 WeakPolarHBondContact OD1-CG2 3.47Å; N375-T399 PolarHBondContact OD1-N 3.34Å; N375-T399 PolarHBondContact OD1-OG1 3.39Å
376	F	98.2	Very high	96.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-48.6	179.3	-173.2	-80.4	0	0	0	111.7	V348 K350 F351 L353 V355 M372 I374 L378 Q379 L380 I546 Q549	V348-F376 HydrophobicContact CB-CE2 4.45Å; V348-F376 HydrophobicContact CB-CZ 4.43Å; V348-F376 HydrophobicContact CG1-CE1 4.46Å; V348-F376 HydrophobicContact CG1-CE2 3.56Å; V348-F376 HydrophobicContact CG1-CZ 3.42Å; V348-F376 VanDerWaalsContact CG1-CZ 3.42Å; K350-F376 HydrophobicContact CB-CE2 3.85Å; K350-F376 HydrophobicContact CB-CZ 4.2Å; F351-F376 HydrophobicContact CD2-CD2 4.1Å; F351-F376 AromaticContact CD2-CE2 3.98Å; F351-F376 HydrophobicContact CD2-CE2 3.98Å; F351-F376 HydrophobicContact CD2-CZ 4.37Å; F351-F376 HydrophobicContact CE2-CE1 4.39Å; F351-F376 HydrophobicContact CE2-CE2 4.16Å; F351-F376 HydrophobicContact CE2-CZ 4.07Å; L353-F376 HydrophobicContact CB-CD2 4.12Å; L353-F376 HydrophobicContact CD1-CB 4.24Å; V355-F376 HydrophobicContact CG2-CB 3.91Å; V355-F376 HydrophobicContact CG2-CD1 4.44Å; V355-F376 HydrophobicContact CG2-CD2 3.51Å; V355-F376 HydrophobicContact CG2-CE2 4.14Å; V355-F376 HydrophobicContact CG2-CG 3.69Å; M372-F376 WeakPolarHBondContact O-CB 3.19Å; M372-F376 PolarHBondContact O-N 3.18Å; I374-F376 PolarHBondContact O-N 3.12Å; F376-L378 PolarHBondContact O-N 3.44Å; F376-Q379 PolarHBondContact O-N 2.89Å; F376-L380 PolarHBondContact O-N 3.34Å; F376-I546 HydrophobicContact CD1-CB 4.39Å; F376-I546 HydrophobicContact CD1-CG1 3.97Å; F376-I546 HydrophobicContact CD1-CG2 3.95Å; F376-I546 HydrophobicContact CE1-CB 4.3Å; F376-I546 HydrophobicContact CE1-CG1 4.27Å; F376-I546 HydrophobicContact CE1-CG2 3.89Å; F376-Q549 HydrophobicContact CZ-CG 4.38Å
377	Y	98.6	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-46	-176.8	-168.2	-99.2	0	0	0	111.4	V373 I374 Q379 L380 L381 C516 E520 R541 M542 E545 I546 L551	V373-Y377 VanDerWaalsContact O-CB 3.27Å; V373-Y377 WeakPolarHBondContact O-CB 3.37Å; V373-Y377 PolarHBondContact O-N 3.25Å; I374-Y377 PolarHBondContact O-N 3.38Å; Y377-Q379 PolarHBondContact O-N 3.23Å; Y377-L380 WeakPolarHBondContact O-CB 3.38Å; Y377-L380 PolarHBondContact O-N 3.14Å; Y377-L381 HydrophobicContact CD1-CD1 4.47Å; Y377-L381 HydrophobicContact CD1-CG 4.44Å; Y377-L381 HydrophobicContact CE1-CD1 4.31Å; Y377-L381 HydrophobicContact CE1-CD2 4.11Å; Y377-L381 HydrophobicContact CE1-CG 4.37Å; Y377-L381 WeakPolarHBondContact O-CG 3.46Å; Y377-L381 PolarHBondContact O-N 3.4Å; Y377-L381 VanDerWaalsContact O-N 3.13Å; Y377-C516 HydrophobicContact CD1-CB 3.6Å; Y377-C516 HydrophobicContact CE1-CB 3.93Å; Y377-C516 HydrophobicContact CG-CB 4.42Å; Y377-E520 HydrophobicContact CE1-CB 4.47Å; Y377-R541 PolarHBondContact OH-NH2 3.08Å; Y377-R541 VanDerWaalsContact OH-NH2 3.08Å; Y377-M542 HydrophobicContact CD1-CE 4.17Å; Y377-M542 HydrophobicContact CD2-CB 4.49Å; Y377-M542 HydrophobicContact CD2-CE 4.09Å; Y377-M542 HydrophobicContact CD2-CG 4.28Å; Y377-M542 HydrophobicContact CE1-CE 4.48Å; Y377-M542 HydrophobicContact CE2-CB 4.23Å; Y377-M542 HydrophobicContact CE2-CE 4.43Å; Y377-M542 HydrophobicContact CE2-CG 3.78Å; Y377-M542 HydrophobicContact CG-CE 3.95Å; Y377-E545 HydrophobicContact CE2-CB 4.32Å; Y377-E545 VanDerWaalsContact CE2-OE2 3.26Å; Y377-E545 WeakPolarHBondContact CE2-OE2 3.49Å; Y377-E545 PolarHBondContact OH-OE2 3.08Å; Y377-I546 HydrophobicContact CD2-CD1 4.41Å; Y377-I546 HydrophobicContact CD2-CG1 4.17Å; Y377-L551 HydrophobicContact CE2-CD2 4.28Å
378	L	98.6	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-36.4	178	-64.3	178.9	0	0	0	112.2	I374 F376 L380 L381 Q382 V396 P434 L515	I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.93Å; F376-L378 PolarHBondContact O-N 3.44Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 PolarHBondContact O-N 3.36Å; L378-L381 HydrophobicContact CD2-CD1 3.87Å; L378-L381 WeakPolarHBondContact O-CA 3.11Å; L378-L381 WeakPolarHBondContact O-CB 3.39Å; L378-L381 PolarHBondContact O-N 3.4Å; L378-L381 VanDerWaalsContact O-N 3.1Å; L378-Q382 PolarHBondContact O-N 3.4Å; L378-V396 HydrophobicContact CB-CB 4.37Å; L378-V396 HydrophobicContact CB-CG1 3.47Å; L378-V396 VanDerWaalsContact CB-CG1 3.47Å; L378-V396 HydrophobicContact CB-CG2 3.99Å; L378-V396 HydrophobicContact CD1-CG1 4.17Å; L378-V396 HydrophobicContact CG-CG1 4.49Å; L378-V396 WeakPolarHBondContact O-CG2 3.26Å; L378-P434 HydrophobicContact CD1-CG 3.38Å; L378-L515 HydrophobicContact CD1-CD2 3.98Å
379	Q	97	Very high	95.9	Very high	49 Å²	49	28.6 Å²	28.6	23%	0.229	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-36.7	173	-74.2	-76.2	75.2	0	0	112.3	F351 L353 N375 F376 Y377 L381 Q382 R383	F351-Q379 HydrophobicContact CB-CB 4.34Å; F351-Q379 HydrophobicContact CD2-CB 3.63Å; F351-Q379 HydrophobicContact CE2-CB 4Å; F351-Q379 HydrophobicContact CG-CB 3.91Å; L353-Q379 HydrophobicContact CD1-CG 4.33Å; N375-Q379 WeakPolarHBondContact O-CB 3.3Å; N375-Q379 WeakPolarHBondContact O-CG 3.44Å; N375-Q379 PolarHBondContact O-N 3.44Å; F376-Q379 PolarHBondContact O-N 2.89Å; Y377-Q379 PolarHBondContact O-N 3.23Å; Q379-L381 VanDerWaalsContact C-N 3.32Å; Q379-L381 PolarHBondContact O-N 3.38Å; Q379-Q382 PolarHBondContact O-N 2.76Å; Q379-R383 PolarHBondContact O-N 3.38Å
380	L	97.1	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-39.7	172.4	-174.3	62.1	0	0	0	111.5	F351 F376 Y377 L378 R383 R384 L551 F556 L558	F351-L380 HydrophobicContact CE2-CB 4.23Å; F351-L380 HydrophobicContact CZ-CB 4.46Å; F351-L380 HydrophobicContact CZ-CD1 4.25Å; F376-L380 PolarHBondContact O-N 3.34Å; Y377-L380 WeakPolarHBondContact O-CB 3.38Å; Y377-L380 PolarHBondContact O-N 3.14Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 PolarHBondContact O-N 3.36Å; L380-R383 PolarHBondContact O-N 3.38Å; L380-R384 PolarHBondContact O-N 3.46Å; L380-L551 HydrophobicContact CD2-CD2 3.72Å; L380-L551 HydrophobicContact CD2-CG 3.93Å; L380-L551 HydrophobicContact CG-CD1 4.11Å; L380-L551 HydrophobicContact CG-CD2 4.05Å; L380-L551 HydrophobicContact CG-CG 3.91Å; L380-F556 HydrophobicContact CD1-CE1 4.39Å; L380-L558 HydrophobicContact CD1-CB 4.46Å
381	L	97.8	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-43	173	-54.1	-171.3	0	0	0	111.9	Y377 L378 Q379 R383 R384 S385 I394 G519 E520 L551	Y377-L381 HydrophobicContact CD1-CD1 4.47Å; Y377-L381 HydrophobicContact CD1-CG 4.44Å; Y377-L381 HydrophobicContact CE1-CD1 4.31Å; Y377-L381 HydrophobicContact CE1-CD2 4.11Å; Y377-L381 HydrophobicContact CE1-CG 4.37Å; Y377-L381 WeakPolarHBondContact O-CG 3.46Å; Y377-L381 PolarHBondContact O-N 3.4Å; Y377-L381 VanDerWaalsContact O-N 3.13Å; L378-L381 HydrophobicContact CD2-CD1 3.87Å; L378-L381 WeakPolarHBondContact O-CA 3.11Å; L378-L381 WeakPolarHBondContact O-CB 3.39Å; L378-L381 PolarHBondContact O-N 3.4Å; L378-L381 VanDerWaalsContact O-N 3.1Å; Q379-L381 VanDerWaalsContact C-N 3.32Å; Q379-L381 PolarHBondContact O-N 3.38Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 2.58Å; L381-R384 WeakPolarHBondContact O-CB 3.43Å; L381-R384 PolarHBondContact O-N 3.08Å; L381-S385 PolarHBondContact O-N 3.4Å; L381-S385 VanDerWaalsContact O-N 3.09Å; L381-I394 HydrophobicContact CB-CD1 3.92Å; L381-G519 VanDerWaalsContact CD1-C 3.47Å; L381-E520 HydrophobicContact CD1-CB 4.16Å; L381-E520 HydrophobicContact CD2-CB 4.45Å; L381-E520 WeakPolarHBondContact CD2-OE2 3.43Å; L381-L551 HydrophobicContact CD2-CD1 3.66Å; L381-L551 HydrophobicContact CD2-CD2 3.81Å; L381-L551 HydrophobicContact CD2-CG 4.41Å
382	Q	96	Very high	95.7	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.065	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-45.9	177.6	172.6	172.6	-52.7	0	0	111.1	L378 Q379 R384 S385 Q386 I394 V396	L378-Q382 PolarHBondContact O-N 3.4Å; Q379-Q382 PolarHBondContact O-N 2.76Å; Q382-R384 PolarHBondContact O-N 2.8Å; Q382-S385 PolarHBondContact O-N 2.88Å; Q382-Q386 WeakPolarHBondContact O-CG 3.3Å; Q382-Q386 PolarHBondContact O-N 3.1Å; Q382-Q386 VanDerWaalsContact O-N 3.14Å; Q382-I394 HydrophobicContact CB-CD1 4.33Å; Q382-I394 HydrophobicContact CB-CG1 4.03Å; Q382-I394 HydrophobicContact CG-CG1 4.44Å; Q382-I394 WeakPolarHBondContact CG-O 3.46Å; Q382-V396 HydrophobicContact CB-CB 4.48Å; Q382-V396 HydrophobicContact CB-CG2 3.95Å
383	R	94.9	Very high	95.7	Very high	38 Å²	38	35.9 Å²	35.9	14%	0.143	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-45.5	177.8	-127.5	68.9	167.6	122.7	-11.3	111.2	F351 Q379 L380 L381 S385 Q386 H387 F556 L558 D562 K565	F351-R383 HydrophobicContact CE1-CB 4.2Å; F351-R383 HydrophobicContact CE1-CG 3.91Å; F351-R383 HydrophobicContact CZ-CB 4.34Å; F351-R383 HydrophobicContact CZ-CG 4.49Å; Q379-R383 PolarHBondContact O-N 3.38Å; L380-R383 PolarHBondContact O-N 3.38Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 2.58Å; R383-S385 VanDerWaalsContact C-N 3.34Å; R383-S385 PolarHBondContact O-N 2.78Å; R383-Q386 WeakPolarHBondContact O-CB 3.45Å; R383-Q386 PolarHBondContact O-N 2.68Å; R383-H387 PolarHBondContact O-CD2 3.04Å; R383-H387 VanDerWaalsContact O-CD2 3.26Å; R383-H387 PolarHBondContact O-N 2.96Å; R383-F556 HydrophobicContact CB-CE1 4.29Å; R383-F556 HydrophobicContact CB-CZ 4.29Å; R383-L558 HydrophobicContact CB-CD1 4.16Å; R383-L558 HydrophobicContact CG-CD1 3.7Å; R383-D562 PolarHBondContact NH2-O 3.41Å; R383-K565 PolarHBondContact NH2-O 3.44Å; R383-K565 VanDerWaalsContact NH2-O 3.07Å
384	R	95.4	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-52	-52.1	174.5	177.6	-171.1	63.3	-162.4	-4.7	112.3	L380 L381 Q382 Q386 H387 Q388 L391 E520 S523 L551 T553 T554 F556	L380-R384 PolarHBondContact O-N 3.46Å; L381-R384 WeakPolarHBondContact O-CB 3.43Å; L381-R384 PolarHBondContact O-N 3.08Å; Q382-R384 PolarHBondContact O-N 2.8Å; R384-Q386 PolarHBondContact O-N 3.27Å; R384-H387 PolarHBondContact O-N 2.62Å; R384-H387 VanDerWaalsContact O-N 3.1Å; R384-Q388 VanDerWaalsContact CD-OE1 3.28Å; R384-Q388 HydrophobicContact CG-CG 4.34Å; R384-Q388 PolarHBondContact O-N 3.33Å; R384-L391 HydrophobicContact CG-CD1 4.18Å; R384-E520 IonicContact CZ-OE1 2.78Å; R384-E520 IonicContact CZ-OE2 2.97Å; R384-E520 VanDerWaalsContact NH1-CD 3.26Å; R384-E520 IonicContact NH1-OE1 3.94Å; R384-E520 PolarHBondContact NH1-OE1 3.27Å; R384-E520 IonicContact NH1-OE2 3.59Å; R384-E520 PolarHBondContact NH1-OE2 2.9Å; R384-E520 IonicContact NH2-OE1 3.92Å; R384-E520 IonicContact NH2-OE2 3.57Å; R384-E520 PolarHBondContact NH2-OE2 3.14Å; R384-S523 PolarHBondContact NH2-OG 2.98Å; R384-L551 HydrophobicContact CB-CD1 3.76Å; R384-L551 HydrophobicContact CG-CD1 4.24Å; R384-T553 PolarHBondContact NH1-OG1 3.33Å; R384-T554 WeakPolarHBondContact CD-OG1 3.49Å; R384-F556 HydrophobicContact CB-CB 4.24Å; R384-F556 HydrophobicContact CB-CD1 3.51Å; R384-F556 HydrophobicContact CB-CD2 4.41Å; R384-F556 HydrophobicContact CB-CE1 3.93Å; R384-F556 HydrophobicContact CB-CG 3.78Å; R384-F556 HydrophobicContact CG-CB 3.72Å; R384-F556 HydrophobicContact CG-CD1 4Å; R384-F556 HydrophobicContact CG-CD2 4.35Å; R384-F556 HydrophobicContact CG-CG 3.75Å
385	S	95.4	Very high	95.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-25.4	-179	-77.3	0	0	0	0	113.5	L381 Q382 R383 P392	L381-S385 PolarHBondContact O-N 3.4Å; L381-S385 VanDerWaalsContact O-N 3.09Å; Q382-S385 PolarHBondContact O-N 2.88Å; R383-S385 VanDerWaalsContact C-N 3.34Å; R383-S385 PolarHBondContact O-N 2.78Å; S385-P392 WeakPolarHBondContact CB-O 3.45Å; S385-P392 PolarHBondContact OG-O 3.41Å
386	Q	92.4	Very high	95.6	Very high	85 Å²	85	35.9 Å²	35.9	40%	0.397	18%	0.177	S	C	.	.	H	α-helix	trans	-75.7	-33	174.7	-69.5	171.2	-11.6	0	0	112.8	Q382 R383 R384	Q382-Q386 WeakPolarHBondContact O-CG 3.3Å; Q382-Q386 PolarHBondContact O-N 3.1Å; Q382-Q386 VanDerWaalsContact O-N 3.14Å; R383-Q386 WeakPolarHBondContact O-CB 3.45Å; R383-Q386 PolarHBondContact O-N 2.68Å; R384-Q386 PolarHBondContact O-N 3.27Å
387	H	91.4	Very high	95.6	Very high	94 Å²	94	36.2 Å²	36.2	44%	0.435	18%	0.179	S	C	.	.	H	α-helix	trans	-87.3	-23.8	179.6	-74.8	-96	0	0	0	113.3	R383 R384 F556 D562	R383-H387 PolarHBondContact O-CD2 3.04Å; R383-H387 VanDerWaalsContact O-CD2 3.26Å; R383-H387 PolarHBondContact O-N 2.96Å; R384-H387 PolarHBondContact O-N 2.62Å; R384-H387 VanDerWaalsContact O-N 3.1Å; H387-F556 HydrophobicContact CB-CD2 4.21Å; H387-F556 HydrophobicContact CB-CE2 3.57Å; H387-F556 HydrophobicContact CB-CZ 4.42Å; H387-F556 AromaticContact CD2-CE2 3.8Å; H387-F556 AromaticContact CD2-CZ 3.86Å; H387-F556 AromaticContact CG-CE2 3.71Å; H387-D562 IonicContact CE1-OD1 3.42Å; H387-D562 IonicContact CE1-OD2 3.46Å; H387-D562 IonicContact NE2-OD1 3.39Å; H387-D562 IonicContact NE2-OD2 2.68Å
388	Q	91.2	Very high	95.5	Very high	44 Å²	44	38 Å²	38	21%	0.206	19%	0.191	C	C	.	.			trans	-105.7	102	-178.2	-64.4	-166.9	-70.3	0	0	111.4	R384 N390 L391	R384-Q388 VanDerWaalsContact CD-OE1 3.28Å; R384-Q388 HydrophobicContact CG-CG 4.34Å; R384-Q388 PolarHBondContact O-N 3.33Å; Q388-N390 PolarHBondContact O-N 2.93Å; Q388-N390 VanDerWaalsContact O-N 3.16Å; Q388-L391 HydrophobicContact CB-CD1 3.99Å; Q388-L391 HydrophobicContact CB-CG 4.1Å; Q388-L391 PolarHBondContact O-N 3.46Å; Q388-L391 VanDerWaalsContact O-N 3.16Å; Q388-L391 VanDerWaalsContact OE1-CD1 3.3Å
389	T	88.1	Confident	95.4	Very high	143 Å²	143	38.3 Å²	38.3	88%	0.877	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15	-176	58	0	0	0	0	114.7	L391	T389-L391 VanDerWaalsContact C-N 3.31Å
390	N	92.6	Very high	95.4	Very high	125 Å²	125	41.3 Å²	41.3	67%	0.668	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.7	177.5	67.7	-66.2	0	0	0	113.4	Q388	Q388-N390 PolarHBondContact O-N 2.93Å; Q388-N390 VanDerWaalsContact O-N 3.16Å
391	L	95.5	Very high	95.4	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.12	21%	0.206	C	C	.	.	S	Bend	trans	-108.2	155.6	177.4	-60.1	-177.3	0	0	0	110.5	R384 Q388 T389 R393 R524 T554	R384-L391 HydrophobicContact CG-CD1 4.18Å; Q388-L391 HydrophobicContact CB-CD1 3.99Å; Q388-L391 HydrophobicContact CB-CG 4.1Å; Q388-L391 PolarHBondContact O-N 3.46Å; Q388-L391 VanDerWaalsContact O-N 3.16Å; Q388-L391 VanDerWaalsContact OE1-CD1 3.3Å; T389-L391 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 2.9Å; L391-R524 HydrophobicContact CD1-CG 4.24Å; L391-R524 HydrophobicContact CD2-CB 4.25Å; L391-R524 HydrophobicContact CD2-CG 4.2Å; L391-T554 HydrophobicContact CD1-CG2 4.47Å
392	P	97.2	Very high	95.4	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.052	21%	0.21	C	C	.	.			trans	-58.3	138.9	172	-22.9	34.1	0	0	0	111.1	S385 I394 D429 I430 D525	S385-P392 WeakPolarHBondContact CB-O 3.45Å; S385-P392 PolarHBondContact OG-O 3.41Å; P392-I394 HydrophobicContact CB-CG2 4.5Å; P392-I394 WeakPolarHBondContact O-CG2 3.28Å; P392-I394 PolarHBondContact O-N 3.47Å; P392-D429 HydrophobicContact CB-CB 4.06Å; P392-I430 HydrophobicContact CB-CD1 3.83Å; P392-I430 HydrophobicContact CB-CG1 4.26Å; P392-I430 HydrophobicContact CG-CD1 4.15Å; P392-D525 HydrophobicContact CG-CB 4.45Å; P392-D525 VanDerWaalsContact CG-CG 3.5Å; P392-D525 WeakPolarHBondContact CG-OD2 3.16Å
393	R	97	Very high	95.5	Very high	119 Å²	119	44.7 Å²	44.7	45%	0.449	23%	0.231	S	C	.	.			trans	-72.8	121.5	170.7	-63.1	177.6	-63.5	166	6.6	108.2	L391 D427 D429 I430	L391-R393 PolarHBondContact O-N 2.9Å; R393-D427 PolarHBondContact NE-O 3.16Å; R393-D427 PolarHBondContact NH1-O 3.46Å; R393-D427 PolarHBondContact NH2-O 3.08Å; R393-D429 PolarHBondContact N-OD2 3.24Å; R393-D429 IonicContact NE-OD2 2.78Å; R393-D429 IonicContact NH2-OD1 2.94Å; R393-D429 WeakPolarHBondContact O-CA 3.27Å; R393-D429 WeakPolarHBondContact O-CB 3.47Å; R393-D429 PolarHBondContact O-N 2.97Å; R393-I430 PolarHBondContact O-N 3.18Å; R393-I430 VanDerWaalsContact O-N 3.14Å
394	I	97.5	Very high	95.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.7	-177.7	77.7	-179.6	0	0	0	111	L381 Q382 P392 V396 Q428 I430 L432	L381-I394 HydrophobicContact CB-CD1 3.92Å; Q382-I394 HydrophobicContact CB-CD1 4.33Å; Q382-I394 HydrophobicContact CB-CG1 4.03Å; Q382-I394 HydrophobicContact CG-CG1 4.44Å; Q382-I394 WeakPolarHBondContact CG-O 3.46Å; P392-I394 HydrophobicContact CB-CG2 4.5Å; P392-I394 WeakPolarHBondContact O-CG2 3.28Å; P392-I394 PolarHBondContact O-N 3.47Å; I394-V396 HydrophobicContact CD1-CG2 4.38Å; I394-Q428 PolarHBondContact O-OE1 3.14Å; I394-I430 CarbonylContact C-O 3.6Å; I394-I430 WeakPolarHBondContact CA-O 3.36Å; I394-I430 HydrophobicContact CG2-CB 4.08Å; I394-L432 HydrophobicContact CD1-CD1 4.21Å
395	A	97.5	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.9	159.9	0	0	0	0	0	110.2	I423 L425 Q428 I430 I431 L432	A395-I423 HydrophobicContact CB-CG2 3.91Å; A395-L425 HydrophobicContact CB-CD2 3.73Å; A395-Q428 HydrophobicContact CB-CB 4.42Å; A395-Q428 HydrophobicContact CB-CG 3.76Å; A395-I430 PolarHBondContact N-O 2.97Å; A395-I431 HydrophobicContact CB-CG2 4.38Å; A395-I431 CarbonylContact O-C 3.54Å; A395-I431 VanDerWaalsContact O-CA 3.29Å; A395-I431 WeakPolarHBondContact O-CA 3.32Å; A395-L432 PolarHBondContact O-N 2.98Å
396	V	97.9	Very high	95.7	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	177.2	171.9	0	0	0	0	107.7	L378 Q382 I394 L432	L378-V396 HydrophobicContact CB-CB 4.37Å; L378-V396 HydrophobicContact CB-CG1 3.47Å; L378-V396 VanDerWaalsContact CB-CG1 3.47Å; L378-V396 HydrophobicContact CB-CG2 3.99Å; L378-V396 HydrophobicContact CD1-CG1 4.17Å; L378-V396 HydrophobicContact CG-CG1 4.49Å; L378-V396 WeakPolarHBondContact O-CG2 3.26Å; Q382-V396 HydrophobicContact CB-CB 4.48Å; Q382-V396 HydrophobicContact CB-CG2 3.95Å; I394-V396 HydrophobicContact CD1-CG2 4.38Å; V396-L432 WeakPolarHBondContact CA-O 3.35Å; V396-L432 HydrophobicContact CG2-CB 4.21Å; V396-L432 HydrophobicContact CG2-CD1 4.43Å
397	L	97.8	Very high	95.8	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.25	C	S	.	.			trans	-95.8	150.5	169.9	-57.2	-174	0	0	0	109.7	F401 T420 L425 I431 L432 I433 P434	L397-F401 HydrophobicContact CB-CB 4Å; L397-F401 HydrophobicContact CB-CD1 4.24Å; L397-F401 HydrophobicContact CB-CG 4Å; L397-F401 HydrophobicContact CD1-CD1 3.57Å; L397-F401 HydrophobicContact CD1-CD2 3.82Å; L397-F401 HydrophobicContact CD1-CE1 3.51Å; L397-F401 HydrophobicContact CD1-CE2 3.75Å; L397-F401 HydrophobicContact CD1-CG 3.73Å; L397-F401 HydrophobicContact CD1-CZ 3.6Å; L397-F401 HydrophobicContact CG-CG 4.45Å; L397-T420 HydrophobicContact CD2-CG2 4Å; L397-L425 HydrophobicContact CD2-CD2 4.46Å; L397-I431 HydrophobicContact CD1-CG2 4.38Å; L397-I431 HydrophobicContact CG-CG2 4.21Å; L397-L432 PolarHBondContact N-O 3.26Å; L397-I433 HydrophobicContact CB-CG1 4.36Å; L397-I433 HydrophobicContact CB-CG2 4.46Å; L397-I433 HydrophobicContact CD1-CD1 3.84Å; L397-I433 HydrophobicContact CD1-CG1 3.85Å; L397-I433 HydrophobicContact CG-CG1 4.19Å; L397-P434 WeakPolarHBondContact O-CD 3.41Å
398	S	96.4	Very high	95.9	Very high	38 Å²	38	48.8 Å²	48.8	27%	0.266	27%	0.271	S	S	.	.			trans	-65.6	151.8	178.5	164.1	0	0	0	0	111.7	N375 F400 F401	N375-S398 VanDerWaalsContact OD1-CA 3.31Å; N375-S398 WeakPolarHBondContact OD1-CA 3.29Å; S398-F400 PolarHBondContact O-N 3.38Å; S398-F400 WeakPolarHBondContact OG-CD2 3.4Å; S398-F400 PolarHBondContact OG-N 2.99Å; S398-F401 WeakPolarHBondContact O-CB 3.49Å; S398-F401 PolarHBondContact O-N 3.49Å
399	T	97.6	Very high	96	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.043	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-24.5	170.6	53.7	0	0	0	0	114.4	D371 I374 N375 P434 W442	D371-T399 HydrophobicContact CB-CG2 4.26Å; I374-T399 HydrophobicContact CB-CG2 4.1Å; I374-T399 HydrophobicContact CG2-CG2 3.76Å; N375-T399 PolarHBondContact ND2-OG1 2.99Å; N375-T399 WeakPolarHBondContact OD1-CG2 3.47Å; N375-T399 PolarHBondContact OD1-N 3.34Å; N375-T399 PolarHBondContact OD1-OG1 3.39Å; T399-P434 HydrophobicContact CG2-CB 3.82Å; T399-P434 HydrophobicContact CG2-CG 4.24Å; T399-W442 HydrophobicContact CG2-CH2 3.96Å; T399-W442 HydrophobicContact CG2-CZ3 3.77Å
400	F	96.7	Very high	96	Very high	112 Å²	112	49.6 Å²	49.6	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-84.1	-13.3	178.5	-59.1	-66.9	0	0	0	113.8	D371 S398 A403 K404 W419	D371-F400 WeakPolarHBondContact OD2-CZ 3.45Å; S398-F400 PolarHBondContact O-N 3.38Å; S398-F400 WeakPolarHBondContact OG-CD2 3.4Å; S398-F400 PolarHBondContact OG-N 2.99Å; F400-A403 PolarHBondContact O-N 3.4Å; F400-K404 WeakPolarHBondContact O-CB 3.16Å; F400-K404 PolarHBondContact O-N 3.42Å; F400-W419 VanDerWaalsContact C-CH2 3.48Å; F400-W419 HydrophobicContact CB-CH2 3.6Å; F400-W419 HydrophobicContact CB-CZ3 4.09Å
401	F	98	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-54.3	-172.4	168.6	-96.4	0	0	0	111.6	L397 S398 A403 K404 L405 V416 W419 I433 L471 Y474	L397-F401 HydrophobicContact CB-CB 4Å; L397-F401 HydrophobicContact CB-CD1 4.24Å; L397-F401 HydrophobicContact CB-CG 4Å; L397-F401 HydrophobicContact CD1-CD1 3.57Å; L397-F401 HydrophobicContact CD1-CD2 3.82Å; L397-F401 HydrophobicContact CD1-CE1 3.51Å; L397-F401 HydrophobicContact CD1-CE2 3.75Å; L397-F401 HydrophobicContact CD1-CG 3.73Å; L397-F401 HydrophobicContact CD1-CZ 3.6Å; L397-F401 HydrophobicContact CG-CG 4.45Å; S398-F401 WeakPolarHBondContact O-CB 3.49Å; S398-F401 PolarHBondContact O-N 3.49Å; F401-A403 VanDerWaalsContact C-N 3.34Å; F401-A403 PolarHBondContact O-N 3.16Å; F401-K404 PolarHBondContact O-N 3.32Å; F401-K404 VanDerWaalsContact O-N 3.16Å; F401-L405 HydrophobicContact CE1-CD2 4.06Å; F401-L405 HydrophobicContact CZ-CD2 4.24Å; F401-L405 WeakPolarHBondContact O-CB 3.18Å; F401-L405 PolarHBondContact O-N 3.16Å; F401-V416 HydrophobicContact CD2-CB 4.09Å; F401-V416 HydrophobicContact CD2-CG1 4.06Å; F401-V416 HydrophobicContact CE2-CB 3.74Å; F401-V416 HydrophobicContact CE2-CG1 4.08Å; F401-V416 HydrophobicContact CE2-CG2 3.84Å; F401-V416 HydrophobicContact CZ-CG2 4.35Å; F401-W419 HydrophobicContact CB-CE3 3.77Å; F401-W419 HydrophobicContact CB-CH2 4.5Å; F401-W419 HydrophobicContact CB-CZ3 3.63Å; F401-W419 HydrophobicContact CD2-CB 4.47Å; F401-W419 HydrophobicContact CD2-CD2 4.22Å; F401-W419 AromaticContact CD2-CE3 3.9Å; F401-W419 HydrophobicContact CD2-CE3 3.9Å; F401-W419 HydrophobicContact CD2-CG 4.49Å; F401-W419 HydrophobicContact CG-CE3 4.35Å; F401-W419 VanDerWaalsContact N-CZ3 3.27Å; F401-I433 HydrophobicContact CD1-CG2 3.71Å; F401-I433 HydrophobicContact CE1-CD1 4.23Å; F401-I433 HydrophobicContact CE1-CG2 4.22Å; F401-L471 HydrophobicContact CE1-CD2 4.15Å; F401-Y474 HydrophobicContact CE2-CD2 4.27Å; F401-Y474 HydrophobicContact CE2-CE1 4.43Å; F401-Y474 AromaticContact CE2-CE2 3.69Å; F401-Y474 HydrophobicContact CE2-CE2 3.69Å; F401-Y474 AromaticContact CE2-CZ 3.78Å; F401-Y474 AromaticContact CZ-CD1 3.95Å; F401-Y474 HydrophobicContact CZ-CD1 3.95Å; F401-Y474 AromaticContact CZ-CD2 3.7Å; F401-Y474 HydrophobicContact CZ-CD2 3.7Å; F401-Y474 AromaticContact CZ-CE1 3.74Å; F401-Y474 HydrophobicContact CZ-CE1 3.74Å; F401-Y474 AromaticContact CZ-CE2 3.48Å; F401-Y474 HydrophobicContact CZ-CE2 3.48Å; F401-Y474 VanDerWaalsContact CZ-CE2 3.48Å; F401-Y474 AromaticContact CZ-CG 3.93Å; F401-Y474 HydrophobicContact CZ-CG 3.93Å; F401-Y474 AromaticContact CZ-CZ 3.49Å; F401-Y474 VanDerWaalsContact CZ-CZ 3.49Å
402	Y	97.9	Very high	96	Very high	25 Å²	25	44.6 Å²	44.6	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-37.5	-176	-179	-101.8	0	0	0	111.8	K404 L405 T406 I435 C467 Q470 L471	Y402-K404 VanDerWaalsContact C-N 3.3Å; Y402-K404 PolarHBondContact O-N 2.9Å; Y402-L405 HydrophobicContact CD2-CD2 4.43Å; Y402-L405 PolarHBondContact O-N 2.72Å; Y402-T406 HydrophobicContact CD1-CG2 4.37Å; Y402-T406 HydrophobicContact CD2-CG2 4.08Å; Y402-T406 HydrophobicContact CE1-CG2 4Å; Y402-T406 HydrophobicContact CE2-CG2 3.67Å; Y402-T406 HydrophobicContact CG-CG2 4.41Å; Y402-T406 WeakPolarHBondContact O-CB 3.46Å; Y402-T406 WeakPolarHBondContact O-CG2 3.18Å; Y402-T406 PolarHBondContact O-N 3.39Å; Y402-T406 PolarHBondContact O-OG1 2.93Å; Y402-I435 HydrophobicContact CD1-CD1 3.83Å; Y402-I435 HydrophobicContact CD1-CG2 3.79Å; Y402-I435 HydrophobicContact CD2-CD1 3.68Å; Y402-I435 HydrophobicContact CE1-CD1 4.44Å; Y402-I435 HydrophobicContact CE1-CG2 3.91Å; Y402-I435 HydrophobicContact CE2-CD1 4.33Å; Y402-I435 HydrophobicContact CG-CD1 3.38Å; Y402-I435 HydrophobicContact CG-CG2 4.46Å; Y402-C467 HydrophobicContact CE2-CB 4.07Å; Y402-C467 WeakPolarHBondContact CE2-SG 3.44Å; Y402-C467 WeakPolarHBondContact OH-CA 3.41Å; Y402-C467 VanDerWaalsContact OH-CB 3.3Å; Y402-C467 WeakPolarHBondContact OH-CB 3.27Å; Y402-Q470 PolarHBondContact OH-OE1 3.24Å; Y402-Q470 VanDerWaalsContact OH-OE1 3.08Å; Y402-L471 HydrophobicContact CD2-CD2 4.22Å
403	A	96.4	Very high	96	Very high	60 Å²	60	45.9 Å²	45.9	50%	0.496	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-42.2	173.2	0	0	0	0	0	111.4	F400 F401 A407	F400-A403 PolarHBondContact O-N 3.4Å; F401-A403 VanDerWaalsContact C-N 3.34Å; F401-A403 PolarHBondContact O-N 3.16Å; A403-A407 PolarHBondContact O-N 2.88Å; A403-A407 VanDerWaalsContact O-N 3.08Å
404	K	97.3	Very high	95.9	Very high	76 Å²	76	45 Å²	45	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-70.6	-40.2	176.5	-174.5	57.3	176.1	169.6	0	112.5	F400 F401 Y402 T406 A407 G410 G411 V416 W419	F400-K404 WeakPolarHBondContact O-CB 3.16Å; F400-K404 PolarHBondContact O-N 3.42Å; F401-K404 PolarHBondContact O-N 3.32Å; F401-K404 VanDerWaalsContact O-N 3.16Å; Y402-K404 VanDerWaalsContact C-N 3.3Å; Y402-K404 PolarHBondContact O-N 2.9Å; K404-T406 PolarHBondContact O-N 3.34Å; K404-A407 PolarHBondContact O-N 3.21Å; K404-G410 VanDerWaalsContact CE-O 3.29Å; K404-G410 WeakPolarHBondContact CE-O 3.38Å; K404-G410 PolarHBondContact NZ-O 2.8Å; K404-G411 WeakPolarHBondContact O-CA 3.2Å; K404-V416 HydrophobicContact CB-CG1 3.84Å; K404-V416 HydrophobicContact CG-CG1 3.72Å; K404-W419 HydrophobicContact CB-CH2 4.29Å; K404-W419 HydrophobicContact CB-CZ2 3.87Å; K404-W419 HydrophobicContact CG-CZ2 3.99Å
405	L	97.7	Very high	95.8	Very high	15 Å²	15	46 Å²	46	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-36.1	176.7	176.9	64.5	0	0	0	111.6	F401 Y402 G412 V416 L471 Y474	F401-L405 HydrophobicContact CE1-CD2 4.06Å; F401-L405 HydrophobicContact CZ-CD2 4.24Å; F401-L405 WeakPolarHBondContact O-CB 3.18Å; F401-L405 PolarHBondContact O-N 3.16Å; Y402-L405 HydrophobicContact CD2-CD2 4.43Å; Y402-L405 PolarHBondContact O-N 2.72Å; L405-G412 VanDerWaalsContact O-CA 3.28Å; L405-G412 WeakPolarHBondContact O-CA 3.42Å; L405-G412 PolarHBondContact O-N 3.48Å; L405-V416 HydrophobicContact CB-CG1 4.13Å; L405-V416 HydrophobicContact CB-CG2 4.47Å; L405-V416 HydrophobicContact CD1-CG2 3.81Å; L405-L471 HydrophobicContact CD2-CD2 4.17Å; L405-Y474 HydrophobicContact CD1-CD2 4.15Å; L405-Y474 HydrophobicContact CD2-CG 4.37Å
406	T	96	Very high	95.8	Very high	50 Å²	50	46 Å²	46	31%	0.307	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	2	-174.5	61.3	0	0	0	0	114.1	Y402 K404	Y402-T406 HydrophobicContact CD1-CG2 4.37Å; Y402-T406 HydrophobicContact CD2-CG2 4.08Å; Y402-T406 HydrophobicContact CE1-CG2 4Å; Y402-T406 HydrophobicContact CE2-CG2 3.67Å; Y402-T406 HydrophobicContact CG-CG2 4.41Å; Y402-T406 WeakPolarHBondContact O-CB 3.46Å; Y402-T406 WeakPolarHBondContact O-CG2 3.18Å; Y402-T406 PolarHBondContact O-N 3.39Å; Y402-T406 PolarHBondContact O-OG1 2.93Å; K404-T406 PolarHBondContact O-N 3.34Å
407	A	95.2	Very high	95.7	Very high	30 Å²	30	51.5 Å²	51.5	25%	0.248	31%	0.311	C	S	.	.			trans	-60.2	132.8	-179.3	0	0	0	0	0	111.3	A403 K404 I409 G411	A403-A407 PolarHBondContact O-N 2.88Å; A403-A407 VanDerWaalsContact O-N 3.08Å; K404-A407 PolarHBondContact O-N 3.21Å; A407-I409 VanDerWaalsContact C-N 3.26Å; A407-I409 PolarHBondContact O-N 3.44Å; A407-G411 VanDerWaalsContact O-CA 3.29Å; A407-G411 WeakPolarHBondContact O-CA 3.36Å; A407-G411 PolarHBondContact O-N 3.23Å
408	P	92.9	Very high	95.5	Very high	135 Å²	135	60.9 Å²	60.9	88%	0.877	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.6	180	-24.9	33.4	0	0	0	113.7
409	I	92.3	Very high	95.4	Very high	155 Å²	155	63.9 Å²	63.9	80%	0.795	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	119.9	-176.8	-59.9	163.4	0	0	0	108.6	A407 G411	A407-I409 VanDerWaalsContact C-N 3.26Å; A407-I409 PolarHBondContact O-N 3.44Å; I409-G411 PolarHBondContact O-N 3.2Å
410	G	89.2	Confident	95.2	Very high	49 Å²	49	63.7 Å²	63.7	51%	0.505	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.6	-179.5	0	0	0	0	0	114	K404	K404-G410 VanDerWaalsContact CE-O 3.29Å; K404-G410 WeakPolarHBondContact CE-O 3.38Å; K404-G410 PolarHBondContact NZ-O 2.8Å
411	G	92.9	Very high	94.9	Very high	11 Å²	11	68.3 Å²	68.3	11%	0.113	36%	0.364	C	S	.	.			trans	-86.8	-150.9	167.2	0	0	0	0	0	111.9	K404 A407 I409 S414	K404-G411 WeakPolarHBondContact O-CA 3.2Å; A407-G411 VanDerWaalsContact O-CA 3.29Å; A407-G411 WeakPolarHBondContact O-CA 3.36Å; A407-G411 PolarHBondContact O-N 3.23Å; I409-G411 PolarHBondContact O-N 3.2Å; G411-S414 PolarHBondContact O-OG 3.41Å
412	G	94.8	Very high	94.3	Very high	31 Å²	31	76.3 Å²	76.3	32%	0.32	40%	0.402	S	S	.	.	H	α-helix	trans	68.7	-172.6	-171.7	0	0	0	0	0	112.6	L405 S414 G415	L405-G412 VanDerWaalsContact O-CA 3.28Å; L405-G412 WeakPolarHBondContact O-CA 3.42Å; L405-G412 PolarHBondContact O-N 3.48Å; G412-S414 VanDerWaalsContact C-N 3.28Å; G412-S414 PolarHBondContact O-N 2.91Å; G412-G415 PolarHBondContact O-N 3.32Å; G412-G415 VanDerWaalsContact O-N 3.15Å
413	Y	96.9	Very high	93.9	Very high	35 Å²	35	77.1 Å²	77.1	14%	0.137	41%	0.407	C	S	.	.	H	α-helix	trans	-58.1	-39.8	-177.8	-176.8	-102.8	0	0	0	112.5	G415 V416 R417 Y474 N477 E478 D481	Y413-G415 PolarHBondContact O-N 3.43Å; Y413-V416 CarbonylContact O-C 3.52Å; Y413-V416 PolarHBondContact O-N 3.33Å; Y413-R417 HydrophobicContact CD1-CB 4.34Å; Y413-R417 HydrophobicContact CD1-CG 4.48Å; Y413-R417 HydrophobicContact CE1-CB 3.93Å; Y413-R417 HydrophobicContact CE1-CG 3.68Å; Y413-R417 WeakPolarHBondContact O-CA 3.33Å; Y413-R417 WeakPolarHBondContact O-CB 3.5Å; Y413-R417 PolarHBondContact O-N 3.03Å; Y413-Y474 AromaticContact CD2-CD2 3.77Å; Y413-Y474 HydrophobicContact CD2-CD2 3.77Å; Y413-Y474 AromaticContact CD2-CE2 3.99Å; Y413-Y474 HydrophobicContact CD2-CE2 3.99Å; Y413-Y474 HydrophobicContact CE2-CD2 4.08Å; Y413-Y474 AromaticContact CE2-CE2 3.87Å; Y413-Y474 HydrophobicContact CE2-CE2 3.87Å; Y413-N477 HydrophobicContact CD1-CB 3.93Å; Y413-N477 HydrophobicContact CD2-CB 3.42Å; Y413-N477 VanDerWaalsContact CD2-CB 3.42Å; Y413-N477 HydrophobicContact CE1-CB 4.36Å; Y413-N477 HydrophobicContact CE2-CB 3.92Å; Y413-N477 HydrophobicContact CG-CB 3.46Å; Y413-N477 VanDerWaalsContact CG-CB 3.46Å; Y413-E478 HydrophobicContact CE2-CB 3.97Å; Y413-E478 WeakPolarHBondContact CE2-OE2 3.34Å; Y413-E478 VanDerWaalsContact CZ-OE2 3.31Å; Y413-E478 PolarHBondContact OH-OE2 3.23Å; Y413-D481 HydrophobicContact CE1-CB 3.78Å; Y413-D481 WeakPolarHBondContact OH-CB 3.48Å; Y413-D481 PolarHBondContact OH-OD2 3.41Å; Y413-D481 VanDerWaalsContact OH-OD2 3.11Å
414	S	95.3	Very high	93.7	Very high	100 Å²	100	81.6 Å²	81.6	70%	0.699	42%	0.416	S	S	*	.	H	α-helix	trans	-58.1	-35.6	179.1	56.6	0	0	0	0	113	G411 G412 V416	G411-S414 PolarHBondContact O-OG 3.41Å; G412-S414 VanDerWaalsContact C-N 3.28Å; G412-S414 PolarHBondContact O-N 2.91Å; S414-V416 VanDerWaalsContact C-N 3.33Å
415	G	95.6	Very high	93.5	Very high	21 Å²	21	78.1 Å²	78.1	22%	0.216	40%	0.401	C	S	.	.	H	α-helix	trans	-70.9	-24.9	177.2	0	0	0	0	0	114.4	G412 Y413 W419	G412-G415 PolarHBondContact O-N 3.32Å; G412-G415 VanDerWaalsContact O-N 3.15Å; Y413-G415 PolarHBondContact O-N 3.43Å; G415-W419 PolarHBondContact O-NE1 3.3Å
416	V	97	Very high	93.4	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-113.7	-3.9	-178.1	-61.1	0	0	0	0	114.7	F401 K404 L405 Y413 S414 R418 W419 Y474	F401-V416 HydrophobicContact CD2-CB 4.09Å; F401-V416 HydrophobicContact CD2-CG1 4.06Å; F401-V416 HydrophobicContact CE2-CB 3.74Å; F401-V416 HydrophobicContact CE2-CG1 4.08Å; F401-V416 HydrophobicContact CE2-CG2 3.84Å; F401-V416 HydrophobicContact CZ-CG2 4.35Å; K404-V416 HydrophobicContact CB-CG1 3.84Å; K404-V416 HydrophobicContact CG-CG1 3.72Å; L405-V416 HydrophobicContact CB-CG1 4.13Å; L405-V416 HydrophobicContact CB-CG2 4.47Å; L405-V416 HydrophobicContact CD1-CG2 3.81Å; Y413-V416 CarbonylContact O-C 3.52Å; Y413-V416 PolarHBondContact O-N 3.33Å; S414-V416 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 2.59Å; V416-W419 VanDerWaalsContact CA-CD1 3.43Å; V416-W419 HydrophobicContact CB-CG 4.23Å; V416-W419 VanDerWaalsContact O-CB 3.3Å; V416-W419 WeakPolarHBondContact O-CB 3.11Å; V416-W419 PolarHBondContact O-N 3.4Å; V416-Y474 HydrophobicContact CG2-CD2 3.96Å; V416-Y474 HydrophobicContact CG2-CE2 3.83Å
417	R	95.2	Very high	93.3	Very high	126 Å²	126	80.7 Å²	80.7	48%	0.475	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-28.4	-175	-177.4	176.5	-178.8	-163.2	3.7	115.5	Y413 D481 K482	Y413-R417 HydrophobicContact CD1-CB 4.34Å; Y413-R417 HydrophobicContact CD1-CG 4.48Å; Y413-R417 HydrophobicContact CE1-CB 3.93Å; Y413-R417 HydrophobicContact CE1-CG 3.68Å; Y413-R417 WeakPolarHBondContact O-CA 3.33Å; Y413-R417 WeakPolarHBondContact O-CB 3.5Å; Y413-R417 PolarHBondContact O-N 3.03Å; R417-D481 WeakPolarHBondContact CG-OD2 3.24Å; R417-D481 IonicContact CZ-OD1 3.07Å; R417-D481 VanDerWaalsContact NE-CG 3.3Å; R417-D481 IonicContact NE-OD1 2.8Å; R417-D481 PolarHBondContact NE-OD1 2.74Å; R417-D481 IonicContact NE-OD2 3.16Å; R417-D481 PolarHBondContact NE-OD2 2.85Å; R417-D481 VanDerWaalsContact NE-OD2 3.16Å; R417-D481 IonicContact NH2-OD1 2.66Å; R417-D481 PolarHBondContact NH2-OD1 2.97Å; R417-K482 PolarHBondContact O-NZ 3.48Å
418	R	94.8	Very high	93.3	Very high	202 Å²	202	80.7 Å²	80.7	76%	0.762	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.5	-178.6	-66.1	-168.3	-64.6	149.1	0.3	114.5	V416 T420 R421	V416-R418 PolarHBondContact O-N 2.59Å; R418-T420 PolarHBondContact O-N 2.78Å; R418-R421 WeakPolarHBondContact O-CB 3.5Å; R418-R421 PolarHBondContact O-N 3.01Å
419	W	94.6	Very high	93.6	Very high	101 Å²	101	76.1 Å²	76.1	38%	0.383	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.6	-171.9	-73.3	49	0	0	0	112.6	F400 F401 K404 G415 V416	F400-W419 VanDerWaalsContact C-CH2 3.48Å; F400-W419 HydrophobicContact CB-CH2 3.6Å; F400-W419 HydrophobicContact CB-CZ3 4.09Å; F401-W419 HydrophobicContact CB-CE3 3.77Å; F401-W419 HydrophobicContact CB-CH2 4.5Å; F401-W419 HydrophobicContact CB-CZ3 3.63Å; F401-W419 HydrophobicContact CD2-CB 4.47Å; F401-W419 HydrophobicContact CD2-CD2 4.22Å; F401-W419 AromaticContact CD2-CE3 3.9Å; F401-W419 HydrophobicContact CD2-CE3 3.9Å; F401-W419 HydrophobicContact CD2-CG 4.49Å; F401-W419 HydrophobicContact CG-CE3 4.35Å; F401-W419 VanDerWaalsContact N-CZ3 3.27Å; K404-W419 HydrophobicContact CB-CH2 4.29Å; K404-W419 HydrophobicContact CB-CZ2 3.87Å; K404-W419 HydrophobicContact CG-CZ2 3.99Å; G415-W419 PolarHBondContact O-NE1 3.3Å; V416-W419 VanDerWaalsContact CA-CD1 3.43Å; V416-W419 HydrophobicContact CB-CG 4.23Å; V416-W419 VanDerWaalsContact O-CB 3.3Å; V416-W419 WeakPolarHBondContact O-CB 3.11Å; V416-W419 PolarHBondContact O-N 3.4Å
420	T	93.5	Very high	93.9	Very high	4 Å²	4	68.8 Å²	68.8	3%	0.025	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.7	-179.8	56.5	0	0	0	0	112.7	L397 R418 Q422 I423 L425 Y474 E478	L397-T420 HydrophobicContact CD2-CG2 4Å; R418-T420 PolarHBondContact O-N 2.78Å; T420-Q422 PolarHBondContact O-N 3.04Å; T420-Q422 VanDerWaalsContact O-N 3.13Å; T420-I423 CarbonylContact O-C 3.46Å; T420-I423 PolarHBondContact O-N 3.33Å; T420-L425 HydrophobicContact CG2-CD1 3.58Å; T420-L425 HydrophobicContact CG2-CD2 4.16Å; T420-L425 HydrophobicContact CG2-CG 3.79Å; T420-Y474 WeakPolarHBondContact CG2-OH 3.29Å; T420-E478 WeakPolarHBondContact CB-OE1 3.4Å; T420-E478 PolarHBondContact OG1-OE1 3.1Å
421	R	89.5	Confident	94.3	Very high	209 Å²	209	66.5 Å²	66.5	79%	0.789	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34	-178.5	-178.5	178.7	176.4	-173.8	0.4	113.1	R418	R418-R421 WeakPolarHBondContact O-CB 3.5Å; R418-R421 PolarHBondContact O-N 3.01Å
422	Q	86.5	Confident	94.6	Very high	167 Å²	167	66 Å²	66	78%	0.78	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	0.3	179.6	-66.3	-180	-27.8	0	0	113	T420	T420-Q422 PolarHBondContact O-N 3.04Å; T420-Q422 VanDerWaalsContact O-N 3.13Å
423	I	88.9	Confident	94.8	Very high	42 Å²	42	64.5 Å²	64.5	22%	0.215	29%	0.292	C	S	.	.			trans	-128.6	115.1	-174.3	-56.3	173.6	0	0	0	109.2	A395 T420 L425	A395-I423 HydrophobicContact CB-CG2 3.91Å; T420-I423 CarbonylContact O-C 3.46Å; T420-I423 PolarHBondContact O-N 3.33Å; I423-L425 HydrophobicContact CG2-CD2 4.08Å; I423-L425 PolarHBondContact O-N 3.34Å
424	K	91.8	Very high	94.9	Very high	155 Å²	155	62.8 Å²	62.8	67%	0.674	29%	0.285	S	S	*	.			trans	-76.7	90.2	170.4	-64.3	-177.1	-177.9	178.8	0	109.3	F426 D427	K424-F426 VanDerWaalsContact C-N 3.31Å; K424-F426 PolarHBondContact O-N 3.18Å; K424-D427 HydrophobicContact CB-CB 4Å; K424-D427 WeakPolarHBondContact CB-OD2 3.42Å; K424-D427 WeakPolarHBondContact CD-OD2 3.45Å; K424-D427 PolarHBondContact O-N 2.86Å
425	L	94	Very high	95	Very high	3 Å²	3	58 Å²	58	2%	0.016	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-55.5	-42.5	-175	-78.4	-175.5	0	0	0	113.4	A395 L397 T420 I423 D427 Q428 I431 L449 Y474 E478	A395-L425 HydrophobicContact CB-CD2 3.73Å; L397-L425 HydrophobicContact CD2-CD2 4.46Å; T420-L425 HydrophobicContact CG2-CD1 3.58Å; T420-L425 HydrophobicContact CG2-CD2 4.16Å; T420-L425 HydrophobicContact CG2-CG 3.79Å; I423-L425 HydrophobicContact CG2-CD2 4.08Å; I423-L425 PolarHBondContact O-N 3.34Å; L425-D427 PolarHBondContact O-N 3.05Å; L425-Q428 WeakPolarHBondContact O-CB 3.31Å; L425-Q428 PolarHBondContact O-N 2.97Å; L425-I431 HydrophobicContact CB-CD1 4.19Å; L425-I431 HydrophobicContact CD1-CD1 4.36Å; L425-I431 HydrophobicContact CD2-CD1 3.99Å; L425-I431 HydrophobicContact CD2-CG1 4.19Å; L425-I431 HydrophobicContact CD2-CG2 4.17Å; L425-I431 HydrophobicContact CG-CD1 4.41Å; L425-L449 VanDerWaalsContact O-CD1 3.23Å; L425-L449 WeakPolarHBondContact O-CD1 3.39Å; L425-Y474 HydrophobicContact CD1-CE1 4.02Å; L425-Y474 VanDerWaalsContact CD1-OH 3.28Å; L425-Y474 WeakPolarHBondContact CD1-OH 3.23Å; L425-E478 HydrophobicContact CD1-CG 3.86Å
426	F	94.3	Very high	95.1	Very high	40 Å²	40	60.7 Å²	60.7	18%	0.175	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.4	-8.9	-178.7	-63.1	-76.5	0	0	0	114.4	K424 Q428 L475 E478 S479 R483 L487	K424-F426 VanDerWaalsContact C-N 3.31Å; K424-F426 PolarHBondContact O-N 3.18Å; F426-Q428 VanDerWaalsContact C-N 3.29Å; F426-L475 HydrophobicContact CE1-CD1 3.62Å; F426-L475 HydrophobicContact CE1-CG 4.23Å; F426-L475 HydrophobicContact CZ-CD1 3.81Å; F426-L475 HydrophobicContact CZ-CG 4.46Å; F426-E478 HydrophobicContact CE2-CB 4.36Å; F426-E478 HydrophobicContact CE2-CG 3.9Å; F426-E478 HydrophobicContact CZ-CB 4.4Å; F426-E478 HydrophobicContact CZ-CG 4.32Å; F426-S479 VanDerWaalsContact CE2-CA 3.46Å; F426-S479 VanDerWaalsContact CZ-CA 3.43Å; F426-R483 HydrophobicContact CD2-CG 4.02Å; F426-R483 HydrophobicContact CE2-CG 4.48Å; F426-L487 HydrophobicContact CE1-CD1 4.16Å
427	D	94.5	Very high	94.8	Very high	78 Å²	78	61.9 Å²	61.9	42%	0.417	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-89.7	2.9	169.8	-64.6	-14.2	0	0	0	111.1	R393 K424 L425	R393-D427 PolarHBondContact NE-O 3.16Å; R393-D427 PolarHBondContact NH1-O 3.46Å; R393-D427 PolarHBondContact NH2-O 3.08Å; K424-D427 HydrophobicContact CB-CB 4Å; K424-D427 WeakPolarHBondContact CB-OD2 3.42Å; K424-D427 WeakPolarHBondContact CD-OD2 3.45Å; K424-D427 PolarHBondContact O-N 2.86Å; L425-D427 PolarHBondContact O-N 3.05Å
428	Q	96.1	Very high	94.4	Very high	31 Å²	31	65.5 Å²	65.5	15%	0.145	28%	0.278	C	S	.	.			trans	-97	163.4	174.3	-53	-54.5	-58.5	0	0	110.5	I394 A395 L425 F426 L449	I394-Q428 PolarHBondContact O-OE1 3.14Å; A395-Q428 HydrophobicContact CB-CB 4.42Å; A395-Q428 HydrophobicContact CB-CG 3.76Å; L425-Q428 WeakPolarHBondContact O-CB 3.31Å; L425-Q428 PolarHBondContact O-N 2.97Å; F426-Q428 VanDerWaalsContact C-N 3.29Å; Q428-L449 WeakPolarHBondContact O-CD1 3.44Å
429	D	97.8	Very high	94.1	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.203	26%	0.262	C	S	.	.	S	Bend	trans	-92.6	-40.9	175.8	-58.1	-41.2	0	0	0	110.4	P392 R393 L449 R450	P392-D429 HydrophobicContact CB-CB 4.06Å; R393-D429 PolarHBondContact N-OD2 3.24Å; R393-D429 IonicContact NE-OD2 2.78Å; R393-D429 IonicContact NH2-OD1 2.94Å; R393-D429 WeakPolarHBondContact O-CA 3.27Å; R393-D429 WeakPolarHBondContact O-CB 3.47Å; R393-D429 PolarHBondContact O-N 2.97Å; D429-L449 PolarHBondContact O-N 3.09Å; D429-R450 HydrophobicContact CB-CG 3.94Å
430	I	98.6	Very high	93.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.4	-176.8	-56.1	174.6	0	0	0	110.3	P392 R393 I394 A395 L432 C446 I447 I522	P392-I430 HydrophobicContact CB-CD1 3.83Å; P392-I430 HydrophobicContact CB-CG1 4.26Å; P392-I430 HydrophobicContact CG-CD1 4.15Å; R393-I430 PolarHBondContact O-N 3.18Å; R393-I430 VanDerWaalsContact O-N 3.14Å; I394-I430 CarbonylContact C-O 3.6Å; I394-I430 WeakPolarHBondContact CA-O 3.36Å; I394-I430 HydrophobicContact CG2-CB 4.08Å; A395-I430 PolarHBondContact N-O 2.97Å; I430-L432 HydrophobicContact CG2-CD2 3.86Å; I430-L432 HydrophobicContact CG2-CG 4.35Å; I430-C446 WeakPolarHBondContact CG2-SG 3.38Å; I430-I447 CarbonylContact C-O 3.59Å; I430-I447 WeakPolarHBondContact CA-O 3.36Å; I430-I522 HydrophobicContact CD1-CG2 4Å; I430-I522 HydrophobicContact CG2-CG2 3.98Å
431	I	98.6	Very high	93.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.3	171.9	-48.2	165.8	0	0	0	108.9	A395 L397 L425 I433 C446 I447 L449	A395-I431 HydrophobicContact CB-CG2 4.38Å; A395-I431 CarbonylContact O-C 3.54Å; A395-I431 VanDerWaalsContact O-CA 3.29Å; A395-I431 WeakPolarHBondContact O-CA 3.32Å; L397-I431 HydrophobicContact CD1-CG2 4.38Å; L397-I431 HydrophobicContact CG-CG2 4.21Å; L425-I431 HydrophobicContact CB-CD1 4.19Å; L425-I431 HydrophobicContact CD1-CD1 4.36Å; L425-I431 HydrophobicContact CD2-CD1 3.99Å; L425-I431 HydrophobicContact CD2-CG1 4.19Å; L425-I431 HydrophobicContact CD2-CG2 4.17Å; L425-I431 HydrophobicContact CG-CD1 4.41Å; I431-I433 HydrophobicContact CG2-CD1 4.35Å; I431-I433 HydrophobicContact CG2-CG1 4.06Å; I431-C446 CarbonylContact O-C 3.56Å; I431-C446 WeakPolarHBondContact O-CA 3.41Å; I431-I447 HydrophobicContact CB-CB 4.09Å; I431-I447 HydrophobicContact CD1-CB 4.38Å; I431-I447 HydrophobicContact CD1-CD1 4.37Å; I431-I447 HydrophobicContact CD1-CG2 4.43Å; I431-I447 PolarHBondContact N-O 2.79Å; I431-I447 PolarHBondContact O-N 2.65Å; I431-L449 HydrophobicContact CD1-CD1 4.07Å; I431-L449 HydrophobicContact CD1-CD2 4.5Å; I431-L449 HydrophobicContact CD1-CG 4.37Å; I431-L449 HydrophobicContact CG1-CD1 4.37Å
432	L	98.8	Very high	94.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.1	177.8	-61.2	-175.2	0	0	0	110.1	I394 A395 V396 L397 I430 L444 C446 I522	I394-L432 HydrophobicContact CD1-CD1 4.21Å; A395-L432 PolarHBondContact O-N 2.98Å; V396-L432 WeakPolarHBondContact CA-O 3.35Å; V396-L432 HydrophobicContact CG2-CB 4.21Å; V396-L432 HydrophobicContact CG2-CD1 4.43Å; L397-L432 PolarHBondContact N-O 3.26Å; I430-L432 HydrophobicContact CG2-CD2 3.86Å; I430-L432 HydrophobicContact CG2-CG 4.35Å; L432-L444 HydrophobicContact CB-CD1 4.21Å; L432-L444 HydrophobicContact CD2-CD2 4.26Å; L432-C446 HydrophobicContact CD2-CB 4.25Å; L432-I522 HydrophobicContact CD2-CG2 4Å
433	I	98.8	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	105.3	-175.7	-49.8	179.6	0	0	0	108.5	L397 F401 I431 I435 S445 I447 L471	L397-I433 HydrophobicContact CB-CG1 4.36Å; L397-I433 HydrophobicContact CB-CG2 4.46Å; L397-I433 HydrophobicContact CD1-CD1 3.84Å; L397-I433 HydrophobicContact CD1-CG1 3.85Å; L397-I433 HydrophobicContact CG-CG1 4.19Å; F401-I433 HydrophobicContact CD1-CG2 3.71Å; F401-I433 HydrophobicContact CE1-CD1 4.23Å; F401-I433 HydrophobicContact CE1-CG2 4.22Å; I431-I433 HydrophobicContact CG2-CD1 4.35Å; I431-I433 HydrophobicContact CG2-CG1 4.06Å; I433-I435 HydrophobicContact CG2-CD1 3.89Å; I433-S445 PolarHBondContact N-O 3.33Å; I433-S445 PolarHBondContact O-N 2.97Å; I433-I447 HydrophobicContact CD1-CD1 3.83Å; I433-I447 HydrophobicContact CD1-CG1 4.42Å; I433-L471 HydrophobicContact CD1-CD1 4.15Å; I433-L471 HydrophobicContact CD1-CD2 3.61Å; I433-L471 HydrophobicContact CD1-CG 4.48Å
434	P	98.7	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.6	172.3	-19.3	33.7	0	0	0	110.4	I374 L378 L397 T399 L515	I374-P434 HydrophobicContact CG2-CB 4.15Å; I374-P434 HydrophobicContact CG2-CG 4.16Å; L378-P434 HydrophobicContact CD1-CG 3.38Å; L397-P434 WeakPolarHBondContact O-CD 3.41Å; T399-P434 HydrophobicContact CG2-CB 3.82Å; T399-P434 HydrophobicContact CG2-CG 4.24Å; P434-L515 HydrophobicContact CB-CD1 4.1Å
435	I	98.4	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.2	179	-51	-62.4	0	0	0	108.1	Y402 I433 W442 C443 S445 Y456	Y402-I435 HydrophobicContact CD1-CD1 3.83Å; Y402-I435 HydrophobicContact CD1-CG2 3.79Å; Y402-I435 HydrophobicContact CD2-CD1 3.68Å; Y402-I435 HydrophobicContact CE1-CD1 4.44Å; Y402-I435 HydrophobicContact CE1-CG2 3.91Å; Y402-I435 HydrophobicContact CE2-CD1 4.33Å; Y402-I435 HydrophobicContact CG-CD1 3.38Å; Y402-I435 HydrophobicContact CG-CG2 4.46Å; I433-I435 HydrophobicContact CG2-CD1 3.89Å; I435-W442 WeakPolarHBondContact O-CA 3.3Å; I435-C443 HydrophobicContact CB-CB 4.3Å; I435-C443 PolarHBondContact N-O 3.15Å; I435-C443 PolarHBondContact O-N 2.92Å; I435-S445 WeakPolarHBondContact CG1-OG 3.19Å; I435-Y456 HydrophobicContact CB-CE2 4.44Å; I435-Y456 HydrophobicContact CG1-CE2 4.18Å; I435-Y456 HydrophobicContact CG2-CE2 4.36Å
436	H	96.3	Very high	95.9	Very high	77 Å²	77	33.4 Å²	33.4	36%	0.356	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	86.3	170.5	-159.6	-169.1	0	0	0	109.4	R438 G439 M440 H441 W442	H436-R438 PolarHBondContact O-N 2.68Å; H436-G439 VanDerWaalsContact CE1-C 3.47Å; H436-G439 PolarHBondContact CE1-O 2.89Å; H436-G439 PolarHBondContact NE2-O 2.83Å; H436-M440 PolarHBondContact NE2-N 3.45Å; H436-H441 CarbonylContact C-O 3.53Å; H436-W442 HydrophobicContact CB-CE3 3.81Å; H436-W442 HydrophobicContact CB-CH2 3.77Å; H436-W442 HydrophobicContact CB-CZ3 3.38Å; H436-W442 AromaticContact CD2-CD2 3.81Å; H436-W442 AromaticContact CD2-CE2 3.79Å; H436-W442 AromaticContact CD2-CE3 3.93Å; H436-W442 AromaticContact CD2-CZ2 3.92Å; H436-W442 AromaticContact CE1-CZ2 3.83Å; H436-W442 AromaticContact CG-CE3 3.93Å; H436-W442 AromaticContact CG-CH2 3.57Å; H436-W442 AromaticContact CG-CZ2 3.87Å; H436-W442 AromaticContact CG-CZ3 3.63Å; H436-W442 AromaticContact ND1-CH2 3.66Å; H436-W442 AromaticContact ND1-CZ2 3.81Å; H436-W442 AromaticContact NE2-CE2 3.89Å; H436-W442 AromaticContact NE2-CZ2 3.92Å
437	D	90.9	Very high	96.1	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.5	-177.5	-169.5	29.3	0	0	0	110.7	G439 M440 H441	D437-G439 PolarHBondContact O-N 3.3Å; D437-M440 PolarHBondContact O-N 3.11Å; D437-M440 VanDerWaalsContact O-N 3.14Å; D437-H441 PolarHBondContact N-O 2.77Å; D437-H441 PolarHBondContact O-N 3.04Å; D437-H441 VanDerWaalsContact O-N 3.16Å
438	R	86.6	Confident	96.3	Very high	203 Å²	203	28.9 Å²	28.9	77%	0.766	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	20.2	-178.4	-51.7	-177	-167.8	80	7.8	115.4	H436 M440	H436-R438 PolarHBondContact O-N 2.68Å; R438-M440 VanDerWaalsContact C-N 3.25Å; R438-M440 PolarHBondContact O-N 2.91Å
439	G	88.3	Confident	96.3	Very high	41 Å²	41	29 Å²	29	42%	0.423	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	13.7	-179.4	0	0	0	0	0	115.6	H436 D437	H436-G439 VanDerWaalsContact CE1-C 3.47Å; H436-G439 PolarHBondContact CE1-O 2.89Å; H436-G439 PolarHBondContact NE2-O 2.83Å; D437-G439 PolarHBondContact O-N 3.3Å
440	M	89.8	Confident	96.2	Very high	122 Å²	122	32.2 Å²	32.2	60%	0.601	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-7.8	-177.9	-61.6	-170	-70.5	0	0	114	W368 H436 D437 R438	W368-M440 HydrophobicContact CH2-CB 4.21Å; W368-M440 HydrophobicContact CH2-CG 4.31Å; H436-M440 PolarHBondContact NE2-N 3.45Å; D437-M440 PolarHBondContact O-N 3.11Å; D437-M440 VanDerWaalsContact O-N 3.14Å; R438-M440 VanDerWaalsContact C-N 3.25Å; R438-M440 PolarHBondContact O-N 2.91Å
441	H	95.3	Very high	96	Very high	25 Å²	25	36.5 Å²	36.5	12%	0.116	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.4	-176.3	-170.5	44	0	0	0	112.3	H436 D437 C443 D458 M460 C511	H436-H441 CarbonylContact C-O 3.53Å; D437-H441 PolarHBondContact N-O 2.77Å; D437-H441 PolarHBondContact O-N 3.04Å; D437-H441 VanDerWaalsContact O-N 3.16Å; H441-C443 PolarHBondContact CD2-SG 2.97Å; H441-C443 PolarHBondContact NE2-SG 2.9Å; H441-D458 IonicContact CD2-OD1 2.65Å; H441-D458 IonicContact CE1-OD1 3.94Å; H441-D458 PolarHBondContact CE1-OD1 2.72Å; H441-D458 IonicContact NE2-OD1 3.62Å; H441-D458 PolarHBondContact NE2-OD1 3.06Å; H441-D458 IonicContact NE2-OD2 2.76Å; H441-M460 VanDerWaalsContact CE1-SD 3.57Å; H441-C511 WeakPolarHBondContact ND1-CB 3.48Å
442	W	98.2	Very high	95.9	Very high	14 Å²	14	39.5 Å²	39.5	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.4	179.7	-71.5	115.9	0	0	0	110.3	L369 D371 I374 T399 I435 H436 C511 L515	L369-W442 PolarHBondContact O-NE1 2.78Å; D371-W442 HydrophobicContact CB-CH2 4.18Å; D371-W442 HydrophobicContact CB-CZ2 4.45Å; I374-W442 HydrophobicContact CD1-CD2 3.43Å; I374-W442 VanDerWaalsContact CD1-CD2 3.43Å; I374-W442 VanDerWaalsContact CD1-CE2 3.4Å; I374-W442 HydrophobicContact CD1-CE3 3.79Å; I374-W442 HydrophobicContact CD1-CG 3.84Å; I374-W442 HydrophobicContact CD1-CH2 4.12Å; I374-W442 HydrophobicContact CD1-CZ2 3.78Å; I374-W442 HydrophobicContact CD1-CZ3 4.1Å; T399-W442 HydrophobicContact CG2-CH2 3.96Å; T399-W442 HydrophobicContact CG2-CZ3 3.77Å; I435-W442 WeakPolarHBondContact O-CA 3.3Å; H436-W442 HydrophobicContact CB-CE3 3.81Å; H436-W442 HydrophobicContact CB-CH2 3.77Å; H436-W442 HydrophobicContact CB-CZ3 3.38Å; H436-W442 AromaticContact CD2-CD2 3.81Å; H436-W442 AromaticContact CD2-CE2 3.79Å; H436-W442 AromaticContact CD2-CE3 3.93Å; H436-W442 AromaticContact CD2-CZ2 3.92Å; H436-W442 AromaticContact CE1-CZ2 3.83Å; H436-W442 AromaticContact CG-CE3 3.93Å; H436-W442 AromaticContact CG-CH2 3.57Å; H436-W442 AromaticContact CG-CZ2 3.87Å; H436-W442 AromaticContact CG-CZ3 3.63Å; H436-W442 AromaticContact ND1-CH2 3.66Å; H436-W442 AromaticContact ND1-CZ2 3.81Å; H436-W442 AromaticContact NE2-CE2 3.89Å; H436-W442 AromaticContact NE2-CZ2 3.92Å; W442-C511 HydrophobicContact CB-CB 4.13Å; W442-L515 HydrophobicContact CB-CB 4.5Å; W442-L515 HydrophobicContact CB-CD1 3.81Å; W442-L515 HydrophobicContact CE3-CD1 4.17Å; W442-L515 HydrophobicContact CG-CD1 4.48Å
443	C	98.3	Very high	95.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.7	173.6	-54.1	0	0	0	0	110.4	I435 H441 Y456 Y457 L515	I435-C443 HydrophobicContact CB-CB 4.3Å; I435-C443 PolarHBondContact N-O 3.15Å; I435-C443 PolarHBondContact O-N 2.92Å; H441-C443 PolarHBondContact CD2-SG 2.97Å; H441-C443 PolarHBondContact NE2-SG 2.9Å; C443-Y456 HydrophobicContact CB-CE1 3.93Å; C443-Y456 HydrophobicContact CB-CE2 4.04Å; C443-Y456 VanDerWaalsContact CB-CZ 3.48Å; C443-Y456 VanDerWaalsContact CB-OH 3.3Å; C443-Y456 WeakPolarHBondContact CB-OH 3.37Å; C443-Y456 PolarHBondContact SG-OH 3.27Å; C443-Y457 WeakPolarHBondContact CB-O 3.04Å; C443-L515 WeakPolarHBondContact O-CD1 3.44Å
444	L	98.8	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.2	175.7	-175.7	63.4	0	0	0	109.8	L432 Y457 L515 F518 I522	L432-L444 HydrophobicContact CB-CD1 4.21Å; L432-L444 HydrophobicContact CD2-CD2 4.26Å; L444-Y457 PolarHBondContact N-O 2.91Å; L444-Y457 WeakPolarHBondContact O-CB 3.28Å; L444-Y457 PolarHBondContact O-N 2.71Å; L444-L515 HydrophobicContact CB-CG 4.08Å; L444-L515 HydrophobicContact CD1-CD2 4.42Å; L444-L515 HydrophobicContact CD1-CG 4.47Å; L444-F518 HydrophobicContact CD2-CB 3.81Å; L444-I522 HydrophobicContact CD2-CD1 3.98Å
445	S	98.7	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	162.3	-62.7	0	0	0	0	109.9	I433 I435 T455 Y456 C467	I433-S445 PolarHBondContact N-O 3.33Å; I433-S445 PolarHBondContact O-N 2.97Å; I435-S445 WeakPolarHBondContact CG1-OG 3.19Å; S445-T455 CarbonylContact C-O 3.54Å; S445-T455 WeakPolarHBondContact CA-O 3.13Å; S445-Y456 VanDerWaalsContact OG-CD2 3.3Å; S445-Y456 WeakPolarHBondContact OG-CD2 3.2Å; S445-C467 PolarHBondContact OG-SG 2.98Å
446	C	98.7	Very high	95.9	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.7	179.4	-179.4	0	0	0	0	109.2	I430 I431 L432 I454 T455 Y457 I522	I430-C446 WeakPolarHBondContact CG2-SG 3.38Å; I431-C446 CarbonylContact O-C 3.56Å; I431-C446 WeakPolarHBondContact O-CA 3.41Å; L432-C446 HydrophobicContact CD2-CB 4.25Å; C446-I454 CarbonylContact O-C 3.51Å; C446-I454 WeakPolarHBondContact O-CA 3.48Å; C446-T455 PolarHBondContact N-O 2.93Å; C446-T455 PolarHBondContact O-N 3.34Å; C446-Y457 HydrophobicContact CB-CD2 4.11Å; C446-Y457 HydrophobicContact CB-CE2 3.61Å; C446-I522 HydrophobicContact CB-CD1 4.45Å
447	I	98.6	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.3	170.3	-54.9	171.9	0	0	0	107.1	I430 I431 I433 L449 T453 I454 L475 W493	I430-I447 CarbonylContact C-O 3.59Å; I430-I447 WeakPolarHBondContact CA-O 3.36Å; I431-I447 HydrophobicContact CB-CB 4.09Å; I431-I447 HydrophobicContact CD1-CB 4.38Å; I431-I447 HydrophobicContact CD1-CD1 4.37Å; I431-I447 HydrophobicContact CD1-CG2 4.43Å; I431-I447 PolarHBondContact N-O 2.79Å; I431-I447 PolarHBondContact O-N 2.65Å; I433-I447 HydrophobicContact CD1-CD1 3.83Å; I433-I447 HydrophobicContact CD1-CG1 4.42Å; I447-L449 HydrophobicContact CG2-CD2 4.02Å; I447-L449 HydrophobicContact CG2-CG 4.45Å; I447-T453 CarbonylContact C-O 3.59Å; I447-T453 WeakPolarHBondContact CA-O 3.47Å; I447-I454 HydrophobicContact CG1-CD1 4.48Å; I447-I454 HydrophobicContact CG1-CG1 4.23Å; I447-I454 HydrophobicContact CG1-CG2 4.02Å; I447-I454 HydrophobicContact CG2-CG1 4.36Å; I447-L475 HydrophobicContact CG2-CD2 4.21Å; I447-W493 HydrophobicContact CG2-CH2 4.12Å; I447-W493 HydrophobicContact CG2-CZ3 3.74Å
448	D	98.1	Very high	96.3	Very high	24 Å²	24	38.1 Å²	38.1	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.8	171	-167.5	-36.5	0	0	0	109	R450 V451 K452 T453	D448-R450 VanDerWaalsContact C-N 3.27Å; D448-R450 PolarHBondContact O-N 2.88Å; D448-R450 WeakPolarHBondContact OD1-CA 3.5Å; D448-R450 WeakPolarHBondContact OD1-CB 3.39Å; D448-R450 WeakPolarHBondContact OD1-CG 3.44Å; D448-R450 IonicContact OD1-CZ 3.66Å; D448-R450 PolarHBondContact OD1-N 3.3Å; D448-R450 IonicContact OD1-NE 3.55Å; D448-R450 PolarHBondContact OD1-NE 3.15Å; D448-R450 VanDerWaalsContact OD1-NE 3.08Å; D448-R450 IonicContact OD1-NH2 3.23Å; D448-R450 IonicContact OD2-CZ 3.91Å; D448-R450 IonicContact OD2-NE 2.83Å; D448-R450 PolarHBondContact OD2-NE 2.9Å; D448-R450 IonicContact OD2-NH2 2.83Å; D448-R450 PolarHBondContact OD2-NH2 3.09Å; D448-V451 HydrophobicContact CB-CG2 3.82Å; D448-V451 PolarHBondContact OD1-N 3.04Å; D448-K452 WeakPolarHBondContact O-CA 3.41Å; D448-K452 PolarHBondContact O-N 3.3Å; D448-T453 PolarHBondContact N-O 2.73Å; D448-T453 PolarHBondContact O-N 3.2Å; D448-T453 VanDerWaalsContact O-N 3.08Å
449	L	96.1	Very high	96.7	Very high	32 Å²	32	28.5 Å²	28.5	17%	0.168	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.9	-178.5	-68.1	174.6	0	0	0	111.9	L425 Q428 D429 I431 I447 L475 W493	L425-L449 VanDerWaalsContact O-CD1 3.23Å; L425-L449 WeakPolarHBondContact O-CD1 3.39Å; Q428-L449 WeakPolarHBondContact O-CD1 3.44Å; D429-L449 PolarHBondContact O-N 3.09Å; I431-L449 HydrophobicContact CD1-CD1 4.07Å; I431-L449 HydrophobicContact CD1-CD2 4.5Å; I431-L449 HydrophobicContact CD1-CG 4.37Å; I431-L449 HydrophobicContact CG1-CD1 4.37Å; I447-L449 HydrophobicContact CG2-CD2 4.02Å; I447-L449 HydrophobicContact CG2-CG 4.45Å; L449-L475 HydrophobicContact CD2-CD1 4.28Å; L449-L475 HydrophobicContact CD2-CD2 4.36Å; L449-W493 HydrophobicContact CD2-CH2 3.67Å; L449-W493 HydrophobicContact CD2-CZ2 4.41Å
450	R	95.3	Very high	96.9	Very high	106 Å²	106	31.8 Å²	31.8	40%	0.4	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-40.7	-178.6	-50.7	170.2	-71.7	-175.7	6.1	111.4	D429 D448 D525	D429-R450 HydrophobicContact CB-CG 3.94Å; D448-R450 VanDerWaalsContact C-N 3.27Å; D448-R450 PolarHBondContact O-N 2.88Å; D448-R450 WeakPolarHBondContact OD1-CA 3.5Å; D448-R450 WeakPolarHBondContact OD1-CB 3.39Å; D448-R450 WeakPolarHBondContact OD1-CG 3.44Å; D448-R450 IonicContact OD1-CZ 3.66Å; D448-R450 PolarHBondContact OD1-N 3.3Å; D448-R450 IonicContact OD1-NE 3.55Å; D448-R450 PolarHBondContact OD1-NE 3.15Å; D448-R450 VanDerWaalsContact OD1-NE 3.08Å; D448-R450 IonicContact OD1-NH2 3.23Å; D448-R450 IonicContact OD2-CZ 3.91Å; D448-R450 IonicContact OD2-NE 2.83Å; D448-R450 PolarHBondContact OD2-NE 2.9Å; D448-R450 IonicContact OD2-NH2 2.83Å; D448-R450 PolarHBondContact OD2-NH2 3.09Å; R450-D525 IonicContact CZ-OD1 3.34Å; R450-D525 IonicContact CZ-OD2 3.44Å; R450-D525 IonicContact NH1-OD1 3.08Å; R450-D525 PolarHBondContact NH1-OD1 2.92Å; R450-D525 IonicContact NH1-OD2 2.72Å; R450-D525 PolarHBondContact NH1-OD2 3.1Å; R450-D525 IonicContact NH2-OD1 2.74Å; R450-D525 PolarHBondContact NH2-OD1 2.91Å; R450-D525 IonicContact NH2-OD2 3.44Å
451	V	95.3	Very high	97	Very high	91 Å²	91	27.1 Å²	27.1	55%	0.552	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	7.9	-178.8	-59.9	0	0	0	0	113.7	D448 T453	D448-V451 HydrophobicContact CB-CG2 3.82Å; D448-V451 PolarHBondContact OD1-N 3.04Å; V451-T453 PolarHBondContact O-N 2.87Å; V451-T453 PolarHBondContact O-OG1 2.96Å
452	K	96.1	Very high	96.7	Very high	65 Å²	65	28.3 Å²	28.3	28%	0.283	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	52.9	179.6	-59.3	-173.8	-178.8	-172.2	0	112.9	D448 K488 D489 S492 W493 K494	D448-K452 WeakPolarHBondContact O-CA 3.41Å; D448-K452 PolarHBondContact O-N 3.3Å; K452-K488 PolarHBondContact NZ-O 3.07Å; K452-D489 IonicContact NZ-OD2 3.97Å; K452-S492 WeakPolarHBondContact CD-OG 3.47Å; K452-S492 PolarHBondContact NZ-OG 3.47Å; K452-W493 HydrophobicContact CB-CD2 3.74Å; K452-W493 HydrophobicContact CB-CE3 4.02Å; K452-W493 HydrophobicContact CB-CG 4.11Å; K452-W493 HydrophobicContact CB-CH2 4.26Å; K452-W493 HydrophobicContact CB-CZ2 4.06Å; K452-W493 HydrophobicContact CB-CZ3 4.26Å; K452-W493 HydrophobicContact CG-CD2 4.45Å; K452-W493 HydrophobicContact CG-CH2 4.44Å; K452-W493 HydrophobicContact CG-CZ2 3.98Å; K452-W493 VanDerWaalsContact O-CA 3.25Å; K452-W493 WeakPolarHBondContact O-CA 3.36Å; K452-K494 PolarHBondContact O-N 3.05Å
453	T	97.8	Very high	96.4	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.123	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	-179.1	-59.5	0	0	0	0	110.6	I447 D448 V451 T455 K494 V496	I447-T453 CarbonylContact C-O 3.59Å; I447-T453 WeakPolarHBondContact CA-O 3.47Å; D448-T453 PolarHBondContact N-O 2.73Å; D448-T453 PolarHBondContact O-N 3.2Å; D448-T453 VanDerWaalsContact O-N 3.08Å; V451-T453 PolarHBondContact O-N 2.87Å; V451-T453 PolarHBondContact O-OG1 2.96Å; T453-T455 WeakPolarHBondContact CG2-OG1 3.41Å; T453-K494 CarbonylContact C-O 3.59Å; T453-K494 WeakPolarHBondContact CA-O 3.35Å; T453-K494 HydrophobicContact CG2-CB 4.14Å; T453-K494 WeakPolarHBondContact CG2-O 3.44Å; T453-V496 HydrophobicContact CG2-CB 4.49Å; T453-V496 HydrophobicContact CG2-CG2 3.85Å
454	I	98.5	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.2	168.4	-46.8	-175.1	0	0	0	107.5	C446 I447 L468 L471 M472 W493 K494 L495 V496	C446-I454 CarbonylContact O-C 3.51Å; C446-I454 WeakPolarHBondContact O-CA 3.48Å; I447-I454 HydrophobicContact CG1-CD1 4.48Å; I447-I454 HydrophobicContact CG1-CG1 4.23Å; I447-I454 HydrophobicContact CG1-CG2 4.02Å; I447-I454 HydrophobicContact CG2-CG1 4.36Å; I454-L468 HydrophobicContact CB-CD2 4.05Å; I454-L468 HydrophobicContact CG2-CD2 3.44Å; I454-L468 VanDerWaalsContact CG2-CD2 3.44Å; I454-L468 WeakPolarHBondContact O-CD2 3.49Å; I454-L471 HydrophobicContact CD1-CB 4.36Å; I454-L471 HydrophobicContact CG2-CB 4.34Å; I454-L471 HydrophobicContact CG2-CD1 4.23Å; I454-M472 HydrophobicContact CD1-CB 3.9Å; I454-M472 HydrophobicContact CD1-SD 4.19Å; I454-W493 HydrophobicContact CD1-CE3 4.41Å; I454-W493 HydrophobicContact CG1-CE3 3.9Å; I454-W493 HydrophobicContact CG1-CZ3 4.16Å; I454-K494 PolarHBondContact N-O 3.1Å; I454-L495 HydrophobicContact CB-CD2 3.82Å; I454-L495 HydrophobicContact CD1-CD2 3.89Å; I454-L495 HydrophobicContact CG1-CD2 3.95Å; I454-L495 WeakPolarHBondContact O-CA 3.43Å; I454-V496 PolarHBondContact O-N 3.47Å
455	T	98.6	Very high	96.1	Very high	17 Å²	17	34.9 Å²	34.9	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	-176.4	-53.2	0	0	0	0	110.7	S445 C446 T453 Y457 V496 T498	S445-T455 CarbonylContact C-O 3.54Å; S445-T455 WeakPolarHBondContact CA-O 3.13Å; C446-T455 PolarHBondContact N-O 2.93Å; C446-T455 PolarHBondContact O-N 3.34Å; T453-T455 WeakPolarHBondContact CG2-OG1 3.41Å; T455-Y457 HydrophobicContact CG2-CD2 3.97Å; T455-Y457 HydrophobicContact CG2-CE1 4.11Å; T455-Y457 HydrophobicContact CG2-CE2 3.46Å; T455-Y457 VanDerWaalsContact CG2-CE2 3.46Å; T455-Y457 HydrophobicContact CG2-CG 4.5Å; T455-V496 CarbonylContact C-O 3.57Å; T455-V496 VanDerWaalsContact CA-O 3.28Å; T455-V496 WeakPolarHBondContact CA-O 3.4Å; T455-V496 HydrophobicContact CG2-CB 4.25Å; T455-V496 HydrophobicContact CG2-CG1 4.26Å; T455-T498 HydrophobicContact CG2-CG2 3.44Å; T455-T498 VanDerWaalsContact CG2-CG2 3.44Å
456	Y	98.6	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	110.4	173.4	-168.4	-96	0	0	0	109.5	I435 C443 S445 D458 N464 C467 V496 T498	I435-Y456 HydrophobicContact CB-CE2 4.44Å; I435-Y456 HydrophobicContact CG1-CE2 4.18Å; I435-Y456 HydrophobicContact CG2-CE2 4.36Å; C443-Y456 HydrophobicContact CB-CE1 3.93Å; C443-Y456 HydrophobicContact CB-CE2 4.04Å; C443-Y456 VanDerWaalsContact CB-CZ 3.48Å; C443-Y456 VanDerWaalsContact CB-OH 3.3Å; C443-Y456 WeakPolarHBondContact CB-OH 3.37Å; C443-Y456 PolarHBondContact SG-OH 3.27Å; S445-Y456 VanDerWaalsContact OG-CD2 3.3Å; S445-Y456 WeakPolarHBondContact OG-CD2 3.2Å; Y456-D458 HydrophobicContact CD1-CB 4.18Å; Y456-D458 HydrophobicContact CE1-CB 3.9Å; Y456-N464 HydrophobicContact CD1-CB 3.98Å; Y456-N464 HydrophobicContact CD2-CB 4Å; Y456-N464 HydrophobicContact CE1-CB 3.65Å; Y456-N464 HydrophobicContact CE2-CB 3.69Å; Y456-N464 HydrophobicContact CG-CB 4.13Å; Y456-C467 HydrophobicContact CD2-CB 4.23Å; Y456-C467 HydrophobicContact CE2-CB 4.11Å; Y456-V496 PolarHBondContact N-O 3.32Å; Y456-T498 PolarHBondContact O-N 3.43Å; Y456-T498 VanDerWaalsContact O-N 3.11Å; Y456-T498 PolarHBondContact O-OG1 3.01Å
457	Y	98.4	Very high	95.9	Very high	34 Å²	34	41.7 Å²	41.7	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.2	176.5	-64.5	-90.7	0	0	0	109.9	C443 L444 C446 T455 T498 V502 I522 F528	C443-Y457 WeakPolarHBondContact CB-O 3.04Å; L444-Y457 PolarHBondContact N-O 2.91Å; L444-Y457 WeakPolarHBondContact O-CB 3.28Å; L444-Y457 PolarHBondContact O-N 2.71Å; C446-Y457 HydrophobicContact CB-CD2 4.11Å; C446-Y457 HydrophobicContact CB-CE2 3.61Å; T455-Y457 HydrophobicContact CG2-CD2 3.97Å; T455-Y457 HydrophobicContact CG2-CE1 4.11Å; T455-Y457 HydrophobicContact CG2-CE2 3.46Å; T455-Y457 VanDerWaalsContact CG2-CE2 3.46Å; T455-Y457 HydrophobicContact CG2-CG 4.5Å; Y457-T498 HydrophobicContact CD1-CG2 3.52Å; Y457-T498 HydrophobicContact CE1-CG2 3.62Å; Y457-T498 HydrophobicContact CG-CG2 4.07Å; Y457-V502 HydrophobicContact CD1-CG1 4Å; Y457-V502 HydrophobicContact CE1-CG1 4.1Å; Y457-I522 HydrophobicContact CD2-CD1 3.92Å; Y457-I522 HydrophobicContact CE1-CD1 4.16Å; Y457-I522 HydrophobicContact CE2-CD1 3.46Å; Y457-I522 VanDerWaalsContact CE2-CD1 3.46Å; Y457-I522 HydrophobicContact CG-CD1 4.44Å; Y457-F528 HydrophobicContact CD1-CE2 4.13Å; Y457-F528 HydrophobicContact CD1-CZ 4.04Å; Y457-F528 AromaticContact CE1-CE2 3.67Å; Y457-F528 HydrophobicContact CE1-CE2 3.67Å; Y457-F528 AromaticContact CE1-CZ 3.6Å; Y457-F528 HydrophobicContact CE1-CZ 3.6Å
458	D	97.3	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-127	119.5	173.8	-176.6	3.9	0	0	0	110.2	H441 Y456 M460 G461 S462	H441-D458 IonicContact CD2-OD1 2.65Å; H441-D458 IonicContact CE1-OD1 3.94Å; H441-D458 PolarHBondContact CE1-OD1 2.72Å; H441-D458 IonicContact NE2-OD1 3.62Å; H441-D458 PolarHBondContact NE2-OD1 3.06Å; H441-D458 IonicContact NE2-OD2 2.76Å; Y456-D458 HydrophobicContact CD1-CB 4.18Å; Y456-D458 HydrophobicContact CE1-CB 3.9Å; D458-M460 PolarHBondContact O-N 3.32Å; D458-M460 PolarHBondContact OD1-N 3.37Å; D458-G461 PolarHBondContact O-N 3.28Å; D458-G461 VanDerWaalsContact O-N 3.08Å; D458-S462 VanDerWaalsContact CB-O 3.26Å; D458-S462 WeakPolarHBondContact CB-O 3.49Å; D458-S462 VanDerWaalsContact OD2-CA 3.32Å; D458-S462 WeakPolarHBondContact OD2-CA 3.15Å; D458-S462 WeakPolarHBondContact OD2-CB 3.21Å; D458-S462 PolarHBondContact OD2-N 3.47Å; D458-S462 PolarHBondContact OD2-OG 2.59Å
459	S	95.9	Very high	95.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.2	175.2	41.4	0	0	0	0	113.9	Q504 Q505 F514	S459-Q504 CarbonylContact O-C 3.46Å; S459-Q504 VanDerWaalsContact O-CA 3.24Å; S459-Q504 WeakPolarHBondContact O-CA 3.4Å; S459-Q504 PolarHBondContact O-OE1 3.11Å; S459-Q504 VanDerWaalsContact O-OE1 3.09Å; S459-Q505 WeakPolarHBondContact O-CG 3.3Å; S459-Q505 PolarHBondContact O-N 3.17Å; S459-Q505 PolarHBondContact OG-OE1 2.9Å; S459-F514 VanDerWaalsContact CB-CG 3.5Å; S459-F514 WeakPolarHBondContact OG-CB 3.32Å
460	M	93	Very high	96	Very high	111 Å²	111	45.2 Å²	45.2	55%	0.547	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4.3	168.7	-66.5	-175	67.8	0	0	113	H441 D458 S462 Q504 Q505	H441-M460 VanDerWaalsContact CE1-SD 3.57Å; D458-M460 PolarHBondContact O-N 3.32Å; D458-M460 PolarHBondContact OD1-N 3.37Å; M460-S462 VanDerWaalsContact C-N 3.3Å; M460-S462 PolarHBondContact O-N 3.08Å; M460-Q504 VanDerWaalsContact C-OE1 3.23Å; M460-Q505 HydrophobicContact CG-CG 3.52Å
461	G	90.2	Very high	96.1	Very high	23 Å²	23	40.1 Å²	40.1	24%	0.237	22%	0.221	C	C	.	.			trans	74.5	13.4	172.4	0	0	0	0	0	115	D458 E499	D458-G461 PolarHBondContact O-N 3.28Å; D458-G461 VanDerWaalsContact O-N 3.08Å; G461-E499 WeakPolarHBondContact CA-O 3.34Å
462	S	90.6	Very high	96.2	Very high	50 Å²	50	36.4 Å²	36.4	35%	0.35	20%	0.197	S	C	.	.			trans	-83.5	144.2	174.4	85.8	0	0	0	0	111.9	D458 M460	D458-S462 VanDerWaalsContact CB-O 3.26Å; D458-S462 WeakPolarHBondContact CB-O 3.49Å; D458-S462 VanDerWaalsContact OD2-CA 3.32Å; D458-S462 WeakPolarHBondContact OD2-CA 3.15Å; D458-S462 WeakPolarHBondContact OD2-CB 3.21Å; D458-S462 PolarHBondContact OD2-N 3.47Å; D458-S462 PolarHBondContact OD2-OG 2.59Å; M460-S462 VanDerWaalsContact C-N 3.3Å; M460-S462 PolarHBondContact O-N 3.08Å
463	G	91.9	Very high	96.2	Very high	44 Å²	44	36.9 Å²	36.9	45%	0.454	20%	0.203	S	C	.	.			trans	-94	150.5	173.9	0	0	0	0	0	112.4	N497	G463-N497 VanDerWaalsContact CA-CG 3.47Å; G463-N497 WeakPolarHBondContact CA-OD1 3.35Å
464	N	94.4	Very high	96.2	Very high	24 Å²	24	36.1 Å²	36.1	13%	0.128	20%	0.198	C	C	.	.			trans	-137.2	75.8	176.6	-165.2	-19.7	0	0	0	111.9	Y456 K466 C467 L468 N497	Y456-N464 HydrophobicContact CD1-CB 3.98Å; Y456-N464 HydrophobicContact CD2-CB 4Å; Y456-N464 HydrophobicContact CE1-CB 3.65Å; Y456-N464 HydrophobicContact CE2-CB 3.69Å; Y456-N464 HydrophobicContact CG-CB 4.13Å; N464-K466 PolarHBondContact O-N 3.07Å; N464-C467 HydrophobicContact CB-CB 4Å; N464-C467 VanDerWaalsContact CG-CB 3.43Å; N464-C467 WeakPolarHBondContact O-CB 3.2Å; N464-C467 PolarHBondContact O-N 3.24Å; N464-C467 VanDerWaalsContact O-N 3.16Å; N464-C467 WeakPolarHBondContact OD1-CB 3.41Å; N464-C467 PolarHBondContact OD1-N 3.45Å; N464-L468 PolarHBondContact O-N 2.84Å; N464-N497 PolarHBondContact N-OD1 3.1Å
465	M	96.4	Very high	96.1	Very high	87 Å²	87	36.1 Å²	36.1	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-28.9	179.7	-164.1	58.6	71.5	0	0	112.9	L468 N469 L495	M465-L468 PolarHBondContact O-N 3.06Å; M465-L468 HydrophobicContact SD-CB 4.33Å; M465-L468 HydrophobicContact SD-CD1 4.08Å; M465-N469 WeakPolarHBondContact O-CB 3.07Å; M465-N469 PolarHBondContact O-N 3.08Å; M465-N469 PolarHBondContact O-ND2 3.23Å; M465-N469 VanDerWaalsContact O-ND2 3.13Å; M465-L495 HydrophobicContact SD-CB 4.03Å; M465-L495 HydrophobicContact SD-CD1 4.19Å
466	K	96.2	Very high	95.9	Very high	147 Å²	147	39 Å²	39	64%	0.639	21%	0.209	S	C	*	.	H	α-helix	trans	-63	-45	175.3	-174.6	-179.5	178.2	-177.5	0	111	N464 N469 Q470	N464-K466 PolarHBondContact O-N 3.07Å; K466-N469 PolarHBondContact O-N 3.32Å; K466-Q470 WeakPolarHBondContact O-CB 3.38Å; K466-Q470 VanDerWaalsContact O-CG 3.32Å; K466-Q470 WeakPolarHBondContact O-CG 3.31Å; K466-Q470 PolarHBondContact O-N 2.71Å
467	C	97.3	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-51.3	174.3	-179.7	0	0	0	0	111.2	Y402 S445 Y456 N464 N469 Q470 L471	Y402-C467 HydrophobicContact CE2-CB 4.07Å; Y402-C467 WeakPolarHBondContact CE2-SG 3.44Å; Y402-C467 WeakPolarHBondContact OH-CA 3.41Å; Y402-C467 VanDerWaalsContact OH-CB 3.3Å; Y402-C467 WeakPolarHBondContact OH-CB 3.27Å; S445-C467 PolarHBondContact OG-SG 2.98Å; Y456-C467 HydrophobicContact CD2-CB 4.23Å; Y456-C467 HydrophobicContact CE2-CB 4.11Å; N464-C467 HydrophobicContact CB-CB 4Å; N464-C467 VanDerWaalsContact CG-CB 3.43Å; N464-C467 WeakPolarHBondContact O-CB 3.2Å; N464-C467 PolarHBondContact O-N 3.24Å; N464-C467 VanDerWaalsContact O-N 3.16Å; N464-C467 WeakPolarHBondContact OD1-CB 3.41Å; N464-C467 PolarHBondContact OD1-N 3.45Å; C467-N469 PolarHBondContact O-N 2.66Å; C467-Q470 PolarHBondContact O-N 2.95Å; C467-Q470 VanDerWaalsContact O-N 3.16Å; C467-L471 WeakPolarHBondContact O-CG 3.27Å; C467-L471 PolarHBondContact O-N 3.07Å
468	L	98.2	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-45.5	-179.5	-65.9	177.8	0	0	0	112.6	I454 N464 M465 L471 M472 L495	I454-L468 HydrophobicContact CB-CD2 4.05Å; I454-L468 HydrophobicContact CG2-CD2 3.44Å; I454-L468 VanDerWaalsContact CG2-CD2 3.44Å; I454-L468 WeakPolarHBondContact O-CD2 3.49Å; N464-L468 PolarHBondContact O-N 2.84Å; M465-L468 PolarHBondContact O-N 3.06Å; M465-L468 HydrophobicContact SD-CB 4.33Å; M465-L468 HydrophobicContact SD-CD1 4.08Å; L468-L471 PolarHBondContact O-N 3.44Å; L468-M472 WeakPolarHBondContact O-CB 3.43Å; L468-M472 PolarHBondContact O-N 2.81Å; L468-L495 HydrophobicContact CB-CB 4.17Å; L468-L495 HydrophobicContact CB-CD1 4.23Å; L468-L495 HydrophobicContact CB-CD2 4.31Å; L468-L495 HydrophobicContact CB-CG 4.47Å; L468-L495 HydrophobicContact CD1-CB 4.05Å
469	N	97.3	Very high	95.5	Very high	76 Å²	76	40.9 Å²	40.9	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-63.7	-42.8	176.3	-75.5	-39	0	0	0	112.4	M465 K466 C467 L471 M472 D473 L495	M465-N469 WeakPolarHBondContact O-CB 3.07Å; M465-N469 PolarHBondContact O-N 3.08Å; M465-N469 PolarHBondContact O-ND2 3.23Å; M465-N469 VanDerWaalsContact O-ND2 3.13Å; K466-N469 PolarHBondContact O-N 3.32Å; C467-N469 PolarHBondContact O-N 2.66Å; N469-L471 VanDerWaalsContact C-N 3.32Å; N469-L471 PolarHBondContact O-N 3.18Å; N469-M472 WeakPolarHBondContact O-CB 3.44Å; N469-M472 PolarHBondContact O-N 2.88Å; N469-D473 PolarHBondContact O-N 3.17Å; N469-L495 WeakPolarHBondContact OD1-CD1 3.25Å
470	Q	97.7	Very high	95.5	Very high	53 Å²	53	44.8 Å²	44.8	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-36.3	177.7	-74.8	178	-27.1	0	0	112.4	Y402 K466 C467 D473 Y474	Y402-Q470 PolarHBondContact OH-OE1 3.24Å; Y402-Q470 VanDerWaalsContact OH-OE1 3.08Å; K466-Q470 WeakPolarHBondContact O-CB 3.38Å; K466-Q470 VanDerWaalsContact O-CG 3.32Å; K466-Q470 WeakPolarHBondContact O-CG 3.31Å; K466-Q470 PolarHBondContact O-N 2.71Å; C467-Q470 PolarHBondContact O-N 2.95Å; C467-Q470 VanDerWaalsContact O-N 3.16Å; Q470-D473 PolarHBondContact O-N 2.96Å; Q470-Y474 WeakPolarHBondContact O-CB 3.34Å; Q470-Y474 PolarHBondContact O-N 3.46Å
471	L	98.1	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-35.6	173.4	-68.8	179.7	0	0	0	112.1	F401 Y402 L405 I433 I454 C467 L468 N469 Y474 L475	F401-L471 HydrophobicContact CE1-CD2 4.15Å; Y402-L471 HydrophobicContact CD2-CD2 4.22Å; L405-L471 HydrophobicContact CD2-CD2 4.17Å; I433-L471 HydrophobicContact CD1-CD1 4.15Å; I433-L471 HydrophobicContact CD1-CD2 3.61Å; I433-L471 HydrophobicContact CD1-CG 4.48Å; I454-L471 HydrophobicContact CD1-CB 4.36Å; I454-L471 HydrophobicContact CG2-CB 4.34Å; I454-L471 HydrophobicContact CG2-CD1 4.23Å; C467-L471 WeakPolarHBondContact O-CG 3.27Å; C467-L471 PolarHBondContact O-N 3.07Å; L468-L471 PolarHBondContact O-N 3.44Å; N469-L471 VanDerWaalsContact C-N 3.32Å; N469-L471 PolarHBondContact O-N 3.18Å; L471-Y474 WeakPolarHBondContact O-CB 3.49Å; L471-Y474 PolarHBondContact O-N 3.25Å; L471-L475 WeakPolarHBondContact O-CB 3.34Å; L471-L475 PolarHBondContact O-N 2.89Å
472	M	97	Very high	95.7	Very high	12 Å²	12	45 Å²	45	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-44.7	173.1	-176.3	53.9	170.1	0	0	111.5	I454 L468 N469 L475 K476 L487 P490 W493 L495	I454-M472 HydrophobicContact CD1-CB 3.9Å; I454-M472 HydrophobicContact CD1-SD 4.19Å; L468-M472 WeakPolarHBondContact O-CB 3.43Å; L468-M472 PolarHBondContact O-N 2.81Å; N469-M472 WeakPolarHBondContact O-CB 3.44Å; N469-M472 PolarHBondContact O-N 2.88Å; M472-L475 PolarHBondContact O-N 3.31Å; M472-K476 WeakPolarHBondContact O-CG 3.3Å; M472-K476 PolarHBondContact O-N 3.36Å; M472-L487 HydrophobicContact CE-CD2 4.07Å; M472-L487 HydrophobicContact SD-CD2 4.16Å; M472-P490 HydrophobicContact CE-CB 3.69Å; M472-P490 WeakPolarHBondContact CE-O 3.33Å; M472-W493 HydrophobicContact CE-CB 3.62Å; M472-W493 HydrophobicContact CE-CD2 4.23Å; M472-W493 HydrophobicContact CE-CG 3.48Å; M472-W493 VanDerWaalsContact CE-CG 3.48Å; M472-W493 HydrophobicContact SD-CB 4.15Å; M472-W493 HydrophobicContact SD-CD2 4.16Å; M472-W493 HydrophobicContact SD-CG 3.96Å; M472-L495 HydrophobicContact CB-CD2 4.44Å
473	D	96.2	Very high	95.8	Very high	76 Å²	76	47.8 Å²	47.8	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-36.8	175.6	-69.7	-23.3	0	0	0	112.1	N469 Q470 L475 K476 N477	N469-D473 PolarHBondContact O-N 3.17Å; Q470-D473 PolarHBondContact O-N 2.96Å; D473-L475 VanDerWaalsContact C-N 3.34Å; D473-L475 PolarHBondContact O-N 2.88Å; D473-K476 PolarHBondContact O-N 3.28Å; D473-K476 IonicContact OD1-NZ 3.91Å; D473-K476 PolarHBondContact OD1-NZ 3.29Å; D473-N477 PolarHBondContact O-N 3.37Å; D473-N477 PolarHBondContact O-ND2 3.39Å
474	Y	97.7	Very high	95.8	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-46.8	169.4	167.2	-99.4	0	0	0	111.2	F401 L405 Y413 V416 T420 L425 Q470 L471 K476 N477 E478	F401-Y474 HydrophobicContact CE2-CD2 4.27Å; F401-Y474 HydrophobicContact CE2-CE1 4.43Å; F401-Y474 AromaticContact CE2-CE2 3.69Å; F401-Y474 HydrophobicContact CE2-CE2 3.69Å; F401-Y474 AromaticContact CE2-CZ 3.78Å; F401-Y474 AromaticContact CZ-CD1 3.95Å; F401-Y474 HydrophobicContact CZ-CD1 3.95Å; F401-Y474 AromaticContact CZ-CD2 3.7Å; F401-Y474 HydrophobicContact CZ-CD2 3.7Å; F401-Y474 AromaticContact CZ-CE1 3.74Å; F401-Y474 HydrophobicContact CZ-CE1 3.74Å; F401-Y474 AromaticContact CZ-CE2 3.48Å; F401-Y474 HydrophobicContact CZ-CE2 3.48Å; F401-Y474 VanDerWaalsContact CZ-CE2 3.48Å; F401-Y474 AromaticContact CZ-CG 3.93Å; F401-Y474 HydrophobicContact CZ-CG 3.93Å; F401-Y474 AromaticContact CZ-CZ 3.49Å; F401-Y474 VanDerWaalsContact CZ-CZ 3.49Å; L405-Y474 HydrophobicContact CD1-CD2 4.15Å; L405-Y474 HydrophobicContact CD2-CG 4.37Å; Y413-Y474 AromaticContact CD2-CD2 3.77Å; Y413-Y474 HydrophobicContact CD2-CD2 3.77Å; Y413-Y474 AromaticContact CD2-CE2 3.99Å; Y413-Y474 HydrophobicContact CD2-CE2 3.99Å; Y413-Y474 HydrophobicContact CE2-CD2 4.08Å; Y413-Y474 AromaticContact CE2-CE2 3.87Å; Y413-Y474 HydrophobicContact CE2-CE2 3.87Å; V416-Y474 HydrophobicContact CG2-CD2 3.96Å; V416-Y474 HydrophobicContact CG2-CE2 3.83Å; T420-Y474 WeakPolarHBondContact CG2-OH 3.29Å; L425-Y474 HydrophobicContact CD1-CE1 4.02Å; L425-Y474 VanDerWaalsContact CD1-OH 3.28Å; L425-Y474 WeakPolarHBondContact CD1-OH 3.23Å; Q470-Y474 WeakPolarHBondContact O-CB 3.34Å; Q470-Y474 PolarHBondContact O-N 3.46Å; L471-Y474 WeakPolarHBondContact O-CB 3.49Å; L471-Y474 PolarHBondContact O-N 3.25Å; Y474-K476 PolarHBondContact O-N 3.38Å; Y474-N477 PolarHBondContact O-N 3.24Å; Y474-E478 HydrophobicContact CE1-CB 4.39Å; Y474-E478 HydrophobicContact CE2-CB 4.48Å; Y474-E478 VanDerWaalsContact O-CB 3.3Å; Y474-E478 WeakPolarHBondContact O-CB 3.37Å; Y474-E478 PolarHBondContact O-N 3.37Å
475	L	96.1	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-38.3	-178.5	-169.8	65.6	0	0	0	112.5	F426 I447 L449 L471 M472 D473 S479 L487 W493	F426-L475 HydrophobicContact CE1-CD1 3.62Å; F426-L475 HydrophobicContact CE1-CG 4.23Å; F426-L475 HydrophobicContact CZ-CD1 3.81Å; F426-L475 HydrophobicContact CZ-CG 4.46Å; I447-L475 HydrophobicContact CG2-CD2 4.21Å; L449-L475 HydrophobicContact CD2-CD1 4.28Å; L449-L475 HydrophobicContact CD2-CD2 4.36Å; L471-L475 WeakPolarHBondContact O-CB 3.34Å; L471-L475 PolarHBondContact O-N 2.89Å; M472-L475 PolarHBondContact O-N 3.31Å; D473-L475 VanDerWaalsContact C-N 3.34Å; D473-L475 PolarHBondContact O-N 2.88Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.27Å; L475-L487 HydrophobicContact CB-CD2 4.43Å; L475-L487 HydrophobicContact CD2-CD1 4.4Å; L475-L487 HydrophobicContact CD2-CD2 3.86Å; L475-L487 HydrophobicContact CG-CD1 4.33Å; L475-L487 HydrophobicContact CG-CD2 3.98Å; L475-W493 HydrophobicContact CD2-CD2 4.45Å; L475-W493 HydrophobicContact CD2-CE3 4.24Å; L475-W493 HydrophobicContact CD2-CH2 3.33Å; L475-W493 HydrophobicContact CD2-CZ2 3.52Å; L475-W493 HydrophobicContact CD2-CZ3 3.7Å
476	K	95.7	Very high	95.4	Very high	77 Å²	77	57.7 Å²	57.7	34%	0.335	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-50.1	172.4	-67.9	170.7	-167.7	159.6	0	111.4	M472 D473 Y474 S479 L480 L487	M472-K476 WeakPolarHBondContact O-CG 3.3Å; M472-K476 PolarHBondContact O-N 3.36Å; D473-K476 PolarHBondContact O-N 3.28Å; D473-K476 IonicContact OD1-NZ 3.91Å; D473-K476 PolarHBondContact OD1-NZ 3.29Å; Y474-K476 PolarHBondContact O-N 3.38Å; K476-S479 WeakPolarHBondContact O-CB 3.39Å; K476-S479 PolarHBondContact O-N 2.77Å; K476-L480 PolarHBondContact O-N 3.14Å; K476-L480 VanDerWaalsContact O-N 3.08Å; K476-L487 HydrophobicContact CG-CB 4.31Å; K476-L487 HydrophobicContact CG-CD2 4.18Å
477	N	96.1	Very high	95.1	Very high	72 Å²	72	51.6 Å²	51.6	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-41.2	179.7	-74.5	-62.3	0	0	0	112.2	Y413 D473 Y474 S479 L480 D481	Y413-N477 HydrophobicContact CD1-CB 3.93Å; Y413-N477 HydrophobicContact CD2-CB 3.42Å; Y413-N477 VanDerWaalsContact CD2-CB 3.42Å; Y413-N477 HydrophobicContact CE1-CB 4.36Å; Y413-N477 HydrophobicContact CE2-CB 3.92Å; Y413-N477 HydrophobicContact CG-CB 3.46Å; Y413-N477 VanDerWaalsContact CG-CB 3.46Å; D473-N477 PolarHBondContact O-N 3.37Å; D473-N477 PolarHBondContact O-ND2 3.39Å; Y474-N477 PolarHBondContact O-N 3.24Å; N477-S479 VanDerWaalsContact C-N 3.32Å; N477-S479 PolarHBondContact O-N 2.71Å; N477-L480 PolarHBondContact O-N 2.78Å; N477-D481 WeakPolarHBondContact O-CB 3.24Å; N477-D481 PolarHBondContact O-N 3.3Å
478	E	96	Very high	94.4	Very high	2 Å²	2	59 Å²	59	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-39.1	177.2	-175.2	69.3	-180	0	0	111.4	Y413 T420 L425 F426 Y474 K482	Y413-E478 HydrophobicContact CE2-CB 3.97Å; Y413-E478 WeakPolarHBondContact CE2-OE2 3.34Å; Y413-E478 VanDerWaalsContact CZ-OE2 3.31Å; Y413-E478 PolarHBondContact OH-OE2 3.23Å; T420-E478 WeakPolarHBondContact CB-OE1 3.4Å; T420-E478 PolarHBondContact OG1-OE1 3.1Å; L425-E478 HydrophobicContact CD1-CG 3.86Å; F426-E478 HydrophobicContact CE2-CB 4.36Å; F426-E478 HydrophobicContact CE2-CG 3.9Å; F426-E478 HydrophobicContact CZ-CB 4.4Å; F426-E478 HydrophobicContact CZ-CG 4.32Å; Y474-E478 HydrophobicContact CE1-CB 4.39Å; Y474-E478 HydrophobicContact CE2-CB 4.48Å; Y474-E478 VanDerWaalsContact O-CB 3.3Å; Y474-E478 WeakPolarHBondContact O-CB 3.37Å; Y474-E478 PolarHBondContact O-N 3.37Å; E478-K482 HydrophobicContact CG-CG 4.2Å; E478-K482 WeakPolarHBondContact O-CB 3.41Å; E478-K482 WeakPolarHBondContact O-CG 3.02Å; E478-K482 PolarHBondContact O-N 3.41Å; E478-K482 WeakPolarHBondContact OE1-CE 3.48Å; E478-K482 WeakPolarHBondContact OE1-CG 3.49Å
479	S	94.5	Very high	93.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-48.8	174.6	-172.3	0	0	0	0	111.7	F426 L475 K476 N477 R483 N484 V485	F426-S479 VanDerWaalsContact CE2-CA 3.46Å; F426-S479 VanDerWaalsContact CZ-CA 3.43Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.27Å; K476-S479 WeakPolarHBondContact O-CB 3.39Å; K476-S479 PolarHBondContact O-N 2.77Å; N477-S479 VanDerWaalsContact C-N 3.32Å; N477-S479 PolarHBondContact O-N 2.71Å; S479-R483 WeakPolarHBondContact O-CA 3.38Å; S479-R483 WeakPolarHBondContact O-CB 3.32Å; S479-R483 PolarHBondContact O-N 3.37Å; S479-R483 PolarHBondContact OG-NE 3.35Å; S479-R483 PolarHBondContact OG-NH2 3.24Å; S479-N484 PolarHBondContact O-N 3.49Å; S479-V485 CarbonylContact C-O 3.2Å; S479-V485 WeakPolarHBondContact CB-O 3.24Å; S479-V485 PolarHBondContact OG-O 3.41Å
480	L	94.9	Very high	92.9	Very high	83 Å²	83	62.9 Å²	62.9	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-42.4	180	-172.7	63.7	0	0	0	111.2	K476 N477 N484 V485 E486	K476-L480 PolarHBondContact O-N 3.14Å; K476-L480 VanDerWaalsContact O-N 3.08Å; N477-L480 PolarHBondContact O-N 2.78Å; L480-N484 WeakPolarHBondContact O-CA 3.5Å; L480-N484 PolarHBondContact O-N 3.08Å; L480-V485 PolarHBondContact N-O 3.4Å; L480-E486 HydrophobicContact CD1-CG 4.33Å
481	D	94.3	Very high	92.4	Very high	48 Å²	48	68 Å²	68	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-72.1	-45.9	-178.6	-171.4	60.4	0	0	0	113.5	Y413 R417 N477	Y413-D481 HydrophobicContact CE1-CB 3.78Å; Y413-D481 WeakPolarHBondContact OH-CB 3.48Å; Y413-D481 PolarHBondContact OH-OD2 3.41Å; Y413-D481 VanDerWaalsContact OH-OD2 3.11Å; R417-D481 WeakPolarHBondContact CG-OD2 3.24Å; R417-D481 IonicContact CZ-OD1 3.07Å; R417-D481 VanDerWaalsContact NE-CG 3.3Å; R417-D481 IonicContact NE-OD1 2.8Å; R417-D481 PolarHBondContact NE-OD1 2.74Å; R417-D481 IonicContact NE-OD2 3.16Å; R417-D481 PolarHBondContact NE-OD2 2.85Å; R417-D481 VanDerWaalsContact NE-OD2 3.16Å; R417-D481 IonicContact NH2-OD1 2.66Å; R417-D481 PolarHBondContact NH2-OD1 2.97Å; N477-D481 WeakPolarHBondContact O-CB 3.24Å; N477-D481 PolarHBondContact O-N 3.3Å
482	K	94.1	Very high	92.1	Very high	90 Å²	90	70.5 Å²	70.5	39%	0.391	36%	0.356	S	S	.	.	H	α-helix	trans	-88.9	-29.2	-171.5	-56.8	-49.7	-177.8	-153.1	0	113.7	R417 E478	R417-K482 PolarHBondContact O-NZ 3.48Å; E478-K482 HydrophobicContact CG-CG 4.2Å; E478-K482 WeakPolarHBondContact O-CB 3.41Å; E478-K482 WeakPolarHBondContact O-CG 3.02Å; E478-K482 PolarHBondContact O-N 3.41Å; E478-K482 WeakPolarHBondContact OE1-CE 3.48Å; E478-K482 WeakPolarHBondContact OE1-CG 3.49Å
483	R	92.5	Very high	92.1	Very high	110 Å²	110	71.1 Å²	71.1	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-111.9	-13	-177.3	-56.5	-172.4	-66.4	168.8	-5.3	112.9	F426 S479 V485	F426-R483 HydrophobicContact CD2-CG 4.02Å; F426-R483 HydrophobicContact CE2-CG 4.48Å; S479-R483 WeakPolarHBondContact O-CA 3.38Å; S479-R483 WeakPolarHBondContact O-CB 3.32Å; S479-R483 PolarHBondContact O-N 3.37Å; S479-R483 PolarHBondContact OG-NE 3.35Å; S479-R483 PolarHBondContact OG-NH2 3.24Å; R483-V485 HydrophobicContact CB-CB 4.25Å; R483-V485 HydrophobicContact CB-CG2 4.41Å; R483-V485 WeakPolarHBondContact O-CG2 3.41Å; R483-V485 PolarHBondContact O-N 3.12Å
484	N	91.4	Very high	92.1	Very high	140 Å²	140	74 Å²	74	75%	0.749	37%	0.367	S	S	*	.	S	Bend	trans	55.3	33.2	-169.6	-161.1	45.6	0	0	0	112.3	S479 L480	S479-N484 PolarHBondContact O-N 3.49Å; L480-N484 WeakPolarHBondContact O-CA 3.5Å; L480-N484 PolarHBondContact O-N 3.08Å
485	V	92.1	Very high	92.1	Very high	69 Å²	69	76.3 Å²	76.3	42%	0.418	38%	0.379	S	S	.	.	S	Bend	trans	-134.4	130.4	-178.7	178.6	0	0	0	0	108.2	S479 L480 R483	S479-V485 CarbonylContact C-O 3.2Å; S479-V485 WeakPolarHBondContact CB-O 3.24Å; S479-V485 PolarHBondContact OG-O 3.41Å; L480-V485 PolarHBondContact N-O 3.4Å; R483-V485 HydrophobicContact CB-CB 4.25Å; R483-V485 HydrophobicContact CB-CG2 4.41Å; R483-V485 WeakPolarHBondContact O-CG2 3.41Å; R483-V485 PolarHBondContact O-N 3.12Å
486	E	90.1	Very high	92.1	Very high	154 Å²	154	79 Å²	79	72%	0.72	40%	0.396	S	S	*	.			trans	-63.9	145.3	171.9	-68.9	-176.9	-179.9	0	0	111	L480 K488	L480-E486 HydrophobicContact CD1-CG 4.33Å; E486-K488 PolarHBondContact O-N 2.94Å
487	L	88.9	Confident	92.2	Very high	19 Å²	19	76.9 Å²	76.9	10%	0.099	39%	0.388	C	S	.	.			trans	-64.5	112.2	178.8	-171.9	70	0	0	0	109.3	F426 M472 L475 K476 D489 P490 W493	F426-L487 HydrophobicContact CE1-CD1 4.16Å; M472-L487 HydrophobicContact CE-CD2 4.07Å; M472-L487 HydrophobicContact SD-CD2 4.16Å; L475-L487 HydrophobicContact CB-CD2 4.43Å; L475-L487 HydrophobicContact CD2-CD1 4.4Å; L475-L487 HydrophobicContact CD2-CD2 3.86Å; L475-L487 HydrophobicContact CG-CD1 4.33Å; L475-L487 HydrophobicContact CG-CD2 3.98Å; K476-L487 HydrophobicContact CG-CB 4.31Å; K476-L487 HydrophobicContact CG-CD2 4.18Å; L487-D489 PolarHBondContact O-N 2.86Å; L487-P490 WeakPolarHBondContact O-CD 3.46Å; L487-W493 HydrophobicContact CD1-CZ2 4.2Å; L487-W493 HydrophobicContact CD2-CZ2 4.23Å
488	K	82.9	Confident	92.1	Very high	156 Å²	156	73.7 Å²	73.7	68%	0.678	37%	0.371	S	S	*	.	S	Bend	trans	-58.3	127.8	-178.6	-64	-175.3	179.5	-176.2	0	111.8	K452 E486	K452-K488 PolarHBondContact NZ-O 3.07Å; E486-K488 PolarHBondContact O-N 2.94Å
489	D	82.1	Confident	91.8	Very high	107 Å²	107	78.8 Å²	78.8	57%	0.572	40%	0.395	S	S	*	.			trans	52.5	66.1	175.1	-45.1	-54.6	0	0	0	112.4	K452 L487 D491 S492	K452-D489 IonicContact NZ-OD2 3.97Å; L487-D489 PolarHBondContact O-N 2.86Å; D489-D491 PolarHBondContact O-N 2.92Å; D489-D491 VanDerWaalsContact O-N 3.16Å; D489-S492 WeakPolarHBondContact O-CB 3.3Å; D489-S492 PolarHBondContact O-N 3.4Å; D489-S492 PolarHBondContact O-OG 2.9Å
490	P	82.8	Confident	91.4	Very high	49 Å²	49	84.9 Å²	84.9	32%	0.318	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-56.8	-32.3	-179.4	24.3	-32.7	0	0	0	111.9	M472 L487 S492 W493	M472-P490 HydrophobicContact CE-CB 3.69Å; M472-P490 WeakPolarHBondContact CE-O 3.33Å; L487-P490 WeakPolarHBondContact O-CD 3.46Å; P490-S492 PolarHBondContact O-N 3.41Å; P490-W493 WeakPolarHBondContact O-CB 3.43Å; P490-W493 PolarHBondContact O-N 3.19Å
491	D	86.7	Confident	91.2	Very high	160 Å²	160	86.3 Å²	86.3	86%	0.856	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-71.4	-13.9	178.3	-55.1	-37.3	0	0	0	113.7	D489 W493	D489-D491 PolarHBondContact O-N 2.92Å; D489-D491 VanDerWaalsContact O-N 3.16Å; D491-W493 PolarHBondContact O-N 3.29Å
492	S	91.7	Very high	91.2	Very high	53 Å²	53	84.5 Å²	84.5	37%	0.371	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-76	-12.9	174	71	0	0	0	0	113.3	K452 D489 P490	K452-S492 WeakPolarHBondContact CD-OG 3.47Å; K452-S492 PolarHBondContact NZ-OG 3.47Å; D489-S492 WeakPolarHBondContact O-CB 3.3Å; D489-S492 PolarHBondContact O-N 3.4Å; D489-S492 PolarHBondContact O-OG 2.9Å; P490-S492 PolarHBondContact O-N 3.41Å
493	W	96.2	Very high	91.2	Very high	25 Å²	25	81.5 Å²	81.5	10%	0.095	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-76.8	136.8	-178.7	-74	72.1	0	0	0	111.7	I447 L449 K452 I454 M472 L475 L487 P490 D491	I447-W493 HydrophobicContact CG2-CH2 4.12Å; I447-W493 HydrophobicContact CG2-CZ3 3.74Å; L449-W493 HydrophobicContact CD2-CH2 3.67Å; L449-W493 HydrophobicContact CD2-CZ2 4.41Å; K452-W493 HydrophobicContact CB-CD2 3.74Å; K452-W493 HydrophobicContact CB-CE3 4.02Å; K452-W493 HydrophobicContact CB-CG 4.11Å; K452-W493 HydrophobicContact CB-CH2 4.26Å; K452-W493 HydrophobicContact CB-CZ2 4.06Å; K452-W493 HydrophobicContact CB-CZ3 4.26Å; K452-W493 HydrophobicContact CG-CD2 4.45Å; K452-W493 HydrophobicContact CG-CH2 4.44Å; K452-W493 HydrophobicContact CG-CZ2 3.98Å; K452-W493 VanDerWaalsContact O-CA 3.25Å; K452-W493 WeakPolarHBondContact O-CA 3.36Å; I454-W493 HydrophobicContact CD1-CE3 4.41Å; I454-W493 HydrophobicContact CG1-CE3 3.9Å; I454-W493 HydrophobicContact CG1-CZ3 4.16Å; M472-W493 HydrophobicContact CE-CB 3.62Å; M472-W493 HydrophobicContact CE-CD2 4.23Å; M472-W493 HydrophobicContact CE-CG 3.48Å; M472-W493 VanDerWaalsContact CE-CG 3.48Å; M472-W493 HydrophobicContact SD-CB 4.15Å; M472-W493 HydrophobicContact SD-CD2 4.16Å; M472-W493 HydrophobicContact SD-CG 3.96Å; L475-W493 HydrophobicContact CD2-CD2 4.45Å; L475-W493 HydrophobicContact CD2-CE3 4.24Å; L475-W493 HydrophobicContact CD2-CH2 3.33Å; L475-W493 HydrophobicContact CD2-CZ2 3.52Å; L475-W493 HydrophobicContact CD2-CZ3 3.7Å; L487-W493 HydrophobicContact CD1-CZ2 4.2Å; L487-W493 HydrophobicContact CD2-CZ2 4.23Å; P490-W493 WeakPolarHBondContact O-CB 3.43Å; P490-W493 PolarHBondContact O-N 3.19Å; D491-W493 PolarHBondContact O-N 3.29Å
494	K	96.8	Very high	91.4	Very high	138 Å²	138	77.9 Å²	77.9	60%	0.6	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.9	175.7	-63.9	178.7	-176.1	176.5	0	110	K452 T453 I454 V496	K452-K494 PolarHBondContact O-N 3.05Å; T453-K494 CarbonylContact C-O 3.59Å; T453-K494 WeakPolarHBondContact CA-O 3.35Å; T453-K494 HydrophobicContact CG2-CB 4.14Å; T453-K494 WeakPolarHBondContact CG2-O 3.44Å; I454-K494 PolarHBondContact N-O 3.1Å; K494-V496 HydrophobicContact CB-CG2 4.29Å
495	L	97.8	Very high	91.5	Very high	51 Å²	51	71.9 Å²	71.9	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.5	172.5	-53.9	-174.5	0	0	0	108.1	I454 M465 L468 N469 M472	I454-L495 HydrophobicContact CB-CD2 3.82Å; I454-L495 HydrophobicContact CD1-CD2 3.89Å; I454-L495 HydrophobicContact CG1-CD2 3.95Å; I454-L495 WeakPolarHBondContact O-CA 3.43Å; M465-L495 HydrophobicContact SD-CB 4.03Å; M465-L495 HydrophobicContact SD-CD1 4.19Å; L468-L495 HydrophobicContact CB-CB 4.17Å; L468-L495 HydrophobicContact CB-CD1 4.23Å; L468-L495 HydrophobicContact CB-CD2 4.31Å; L468-L495 HydrophobicContact CB-CG 4.47Å; L468-L495 HydrophobicContact CD1-CB 4.05Å; N469-L495 WeakPolarHBondContact OD1-CD1 3.25Å; M472-L495 HydrophobicContact CB-CD2 4.44Å
496	V	97.4	Very high	91.3	Very high	57 Å²	57	77.7 Å²	77.7	35%	0.345	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.9	-170.2	-178.2	0	0	0	0	110.1	T453 I454 T455 Y456 K494	T453-V496 HydrophobicContact CG2-CB 4.49Å; T453-V496 HydrophobicContact CG2-CG2 3.85Å; I454-V496 PolarHBondContact O-N 3.47Å; T455-V496 CarbonylContact C-O 3.57Å; T455-V496 VanDerWaalsContact CA-O 3.28Å; T455-V496 WeakPolarHBondContact CA-O 3.4Å; T455-V496 HydrophobicContact CG2-CB 4.25Å; T455-V496 HydrophobicContact CG2-CG1 4.26Å; Y456-V496 PolarHBondContact N-O 3.32Å; K494-V496 HydrophobicContact CB-CG2 4.29Å
497	N	97.2	Very high	91.4	Very high	31 Å²	31	72.7 Å²	72.7	17%	0.166	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.5	161.7	-64.4	-63.2	0	0	0	107.9	G463 N464 E499	G463-N497 VanDerWaalsContact CA-CG 3.47Å; G463-N497 WeakPolarHBondContact CA-OD1 3.35Å; N464-N497 PolarHBondContact N-OD1 3.1Å; N497-E499 HydrophobicContact CB-CG 4.25Å
498	T	93.1	Very high	91.4	Very high	6 Å²	6	74.5 Å²	74.5	4%	0.037	39%	0.392	C	S	.	.			trans	-77.1	-26.7	-177.7	57.1	0	0	0	0	113.8	T455 Y456 Y457 D500 T501 V502	T455-T498 HydrophobicContact CG2-CG2 3.44Å; T455-T498 VanDerWaalsContact CG2-CG2 3.44Å; Y456-T498 PolarHBondContact O-N 3.43Å; Y456-T498 VanDerWaalsContact O-N 3.11Å; Y456-T498 PolarHBondContact O-OG1 3.01Å; Y457-T498 HydrophobicContact CD1-CG2 3.52Å; Y457-T498 HydrophobicContact CE1-CG2 3.62Å; Y457-T498 HydrophobicContact CG-CG2 4.07Å; T498-D500 PolarHBondContact O-N 2.85Å; T498-T501 WeakPolarHBondContact O-CB 3.35Å; T498-T501 WeakPolarHBondContact O-CG2 3.35Å; T498-T501 PolarHBondContact O-N 2.81Å; T498-T501 PolarHBondContact O-OG1 3.46Å; T498-V502 HydrophobicContact CG2-CG1 3.86Å; T498-V502 WeakPolarHBondContact OG1-CG2 3.23Å
499	E	90	Very high	91.9	Very high	108 Å²	108	67.4 Å²	67.4	51%	0.505	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	49.9	-126.8	-178.2	-59.2	177.2	-164	0	0	110.8	G461 N497 Q504	G461-E499 WeakPolarHBondContact CA-O 3.34Å; N497-E499 HydrophobicContact CB-CG 4.25Å; E499-Q504 PolarHBondContact O-NE2 3.39Å
500	D	85.8	Confident	92.6	Very high	128 Å²	128	62.7 Å²	62.7	68%	0.684	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-87.1	3.3	-178.2	68	-7.6	0	0	0	114.8	T498 V502	T498-D500 PolarHBondContact O-N 2.85Å; D500-V502 PolarHBondContact O-N 3.44Å
501	T	90.8	Very high	93.3	Very high	113 Å²	113	60.5 Å²	60.5	69%	0.693	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-77.9	-5.3	-177.5	67.2	0	0	0	0	114.3	T498	T498-T501 WeakPolarHBondContact O-CB 3.35Å; T498-T501 WeakPolarHBondContact O-CG2 3.35Å; T498-T501 PolarHBondContact O-N 2.81Å; T498-T501 PolarHBondContact O-OG1 3.46Å
502	V	94.1	Very high	93.9	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	28%	0.282	C	S	.	.	S	Bend	trans	-120.4	157.8	-179.9	-64.1	0	0	0	0	110.7	Y457 T498 D500 Q504 F518 F528	Y457-V502 HydrophobicContact CD1-CG1 4Å; Y457-V502 HydrophobicContact CE1-CG1 4.1Å; T498-V502 HydrophobicContact CG2-CG1 3.86Å; T498-V502 WeakPolarHBondContact OG1-CG2 3.23Å; D500-V502 PolarHBondContact O-N 3.44Å; V502-Q504 WeakPolarHBondContact O-CG 3.46Å; V502-Q504 PolarHBondContact O-N 2.88Å; V502-Q504 PolarHBondContact O-NE2 3.15Å; V502-F518 HydrophobicContact CB-CE1 4.2Å; V502-F518 HydrophobicContact CB-CZ 4.34Å; V502-F518 HydrophobicContact CG2-CE1 4.47Å; V502-F518 HydrophobicContact CG2-CZ 4.11Å; V502-F528 HydrophobicContact CB-CD2 4.33Å; V502-F528 HydrophobicContact CB-CE2 4.29Å; V502-F528 HydrophobicContact CG1-CD2 3.99Å; V502-F528 HydrophobicContact CG1-CE2 3.65Å
503	P	95.7	Very high	94.2	Very high	26 Å²	26	50.3 Å²	50.3	17%	0.169	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-47.5	125.6	175.7	-31.2	35.6	0	0	0	112.7	F514 F518 F528 F530	P503-F514 HydrophobicContact CB-CE1 3.89Å; P503-F514 WeakPolarHBondContact O-CE1 2.98Å; P503-F518 HydrophobicContact CB-CE1 4.44Å; P503-F528 HydrophobicContact CG-CB 3.76Å; P503-F528 HydrophobicContact CG-CG 4.4Å; P503-F530 HydrophobicContact CB-CD2 4.34Å; P503-F530 HydrophobicContact CB-CE2 3.95Å; P503-F530 HydrophobicContact CB-CZ 4.12Å; P503-F530 WeakPolarHBondContact CB-O 3.34Å; P503-F530 HydrophobicContact CG-CD1 4.46Å; P503-F530 HydrophobicContact CG-CE1 4.18Å; P503-F530 HydrophobicContact CG-CE2 4.36Å; P503-F530 HydrophobicContact CG-CZ 4.14Å; P503-F530 VanDerWaalsContact CG-O 3.24Å; P503-F530 WeakPolarHBondContact CG-O 3.5Å
504	Q	95.1	Very high	94.3	Very high	35 Å²	35	49.1 Å²	49.1	16%	0.164	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.4	145.9	-176.4	-62.2	-64.5	-64.1	0	0	111.5	S459 M460 E499 V502 F514	S459-Q504 CarbonylContact O-C 3.46Å; S459-Q504 VanDerWaalsContact O-CA 3.24Å; S459-Q504 WeakPolarHBondContact O-CA 3.4Å; S459-Q504 PolarHBondContact O-OE1 3.11Å; S459-Q504 VanDerWaalsContact O-OE1 3.09Å; M460-Q504 VanDerWaalsContact C-OE1 3.23Å; E499-Q504 PolarHBondContact O-NE2 3.39Å; V502-Q504 WeakPolarHBondContact O-CG 3.46Å; V502-Q504 PolarHBondContact O-N 2.88Å; V502-Q504 PolarHBondContact O-NE2 3.15Å; Q504-F514 WeakPolarHBondContact O-CZ 3.41Å
505	Q	93.8	Very high	94.4	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.061	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-87.4	144.5	168.7	77.9	-173.6	74.1	0	0	110.2	S459 M460 N507 C511 F514	S459-Q505 WeakPolarHBondContact O-CG 3.3Å; S459-Q505 PolarHBondContact O-N 3.17Å; S459-Q505 PolarHBondContact OG-OE1 2.9Å; M460-Q505 HydrophobicContact CG-CG 3.52Å; Q505-N507 PolarHBondContact NE2-O 3.33Å; Q505-C511 VanDerWaalsContact OE1-CA 3.24Å; Q505-F514 HydrophobicContact CB-CD2 3.86Å; Q505-F514 HydrophobicContact CB-CE2 3.49Å; Q505-F514 VanDerWaalsContact CB-CE2 3.49Å; Q505-F514 HydrophobicContact CB-CZ 3.94Å
506	Y	89.2	Confident	94.4	Very high	192 Å²	192	40.2 Å²	40.2	75%	0.753	22%	0.219	S	C	*	.			trans	-117.2	9	177.1	-59.9	-69	0	0	0	112.8	Q532	Y506-Q532 HydrophobicContact CD2-CB 3.8Å; Y506-Q532 HydrophobicContact CD2-CG 3.92Å; Y506-Q532 HydrophobicContact CE2-CB 4.3Å
507	N	90.5	Very high	94.5	Very high	49 Å²	49	37.5 Å²	37.5	26%	0.262	20%	0.203	S	C	.	.	S	Bend	trans	-126.6	173.9	174	69.7	37.6	0	0	0	111.3	Q505 S509 D510 Q532	Q505-N507 PolarHBondContact NE2-O 3.33Å; N507-S509 PolarHBondContact OD1-N 3.02Å; N507-S509 PolarHBondContact OD1-OG 3.19Å; N507-D510 PolarHBondContact ND2-OD2 2.95Å; N507-D510 WeakPolarHBondContact OD1-CB 3.42Å; N507-D510 PolarHBondContact OD1-N 2.75Å; N507-Q532 PolarHBondContact ND2-NE2 3.32Å
508	G	90.7	Very high	94.6	Very high	56 Å²	56	36 Å²	36	58%	0.577	20%	0.195	S	C	*	.	S	Bend	trans	-94.7	15	179.3	0	0	0	0	0	114.7	W368	W368-G508 PolarHBondContact NE1-O 3.27Å
509	S	92.7	Very high	94.8	Very high	8 Å²	8	35.8 Å²	35.8	6%	0.056	19%	0.193	C	C	.	.	S	Bend	trans	-127.4	-20.7	-169.6	57.9	0	0	0	0	116.3	T366 N507 R539	T366-S509 WeakPolarHBondContact CB-OG 3.26Å; T366-S509 WeakPolarHBondContact O-CB 3.49Å; N507-S509 PolarHBondContact OD1-N 3.02Å; N507-S509 PolarHBondContact OD1-OG 3.19Å; S509-R539 PolarHBondContact O-NH2 3.31Å
510	D	97	Very high	95.2	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	17%	0.169	C	C	.	.			trans	-91.2	-3.1	-171	-71.1	-22	0	0	0	114.8	N507 G512 V513 F514 Q532 M535 R539	N507-D510 PolarHBondContact ND2-OD2 2.95Å; N507-D510 WeakPolarHBondContact OD1-CB 3.42Å; N507-D510 PolarHBondContact OD1-N 2.75Å; D510-G512 VanDerWaalsContact C-N 3.25Å; D510-G512 PolarHBondContact O-N 3.31Å; D510-G512 VanDerWaalsContact O-N 3.1Å; D510-V513 CarbonylContact O-C 3.6Å; D510-V513 WeakPolarHBondContact O-CA 3.32Å; D510-V513 WeakPolarHBondContact O-CB 3.4Å; D510-V513 PolarHBondContact O-N 3.31Å; D510-F514 HydrophobicContact CB-CD2 3.86Å; D510-F514 HydrophobicContact CB-CE2 3.97Å; D510-F514 WeakPolarHBondContact O-CD2 3.11Å; D510-F514 PolarHBondContact O-N 3.42Å; D510-Q532 PolarHBondContact OD2-NE2 3.06Å; D510-M535 HydrophobicContact CB-CG 4.08Å; D510-M535 HydrophobicContact CB-SD 4.27Å; D510-M535 WeakPolarHBondContact OD2-CB 3.22Å; D510-M535 WeakPolarHBondContact OD2-CG 3.39Å; D510-R539 IonicContact OD1-CZ 3.65Å; D510-R539 VanDerWaalsContact OD1-CZ 3.25Å; D510-R539 IonicContact OD1-NE 2.9Å; D510-R539 PolarHBondContact OD1-NE 2.83Å; D510-R539 IonicContact OD1-NH2 2.71Å; D510-R539 PolarHBondContact OD1-NH2 2.94Å
511	C	97.5	Very high	95.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-49.4	-42.1	-177.4	53.8	0	0	0	0	113.7	H441 W442 Q505 V513 F514 L515	H441-C511 WeakPolarHBondContact ND1-CB 3.48Å; W442-C511 HydrophobicContact CB-CB 4.13Å; Q505-C511 VanDerWaalsContact OE1-CA 3.24Å; C511-V513 VanDerWaalsContact C-N 3.34Å; C511-V513 PolarHBondContact O-N 3.31Å; C511-F514 PolarHBondContact O-N 3.37Å; C511-L515 WeakPolarHBondContact O-CB 3.37Å; C511-L515 PolarHBondContact O-N 3.28Å
512	G	98.2	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-33.2	176.4	0	0	0	0	0	113.8	D510 C516	D510-G512 VanDerWaalsContact C-N 3.25Å; D510-G512 PolarHBondContact O-N 3.31Å; D510-G512 VanDerWaalsContact O-N 3.1Å; G512-C516 PolarHBondContact O-N 3.12Å; G512-C516 VanDerWaalsContact O-N 3.14Å; G512-C516 PolarHBondContact O-SG 3.31Å
513	V	98.6	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73	-43	176	-175.5	0	0	0	0	109.9	L369 D510 C511 C516 T517 M535 I538 R539 M542	L369-V513 HydrophobicContact CD1-CG2 3.89Å; L369-V513 HydrophobicContact CD2-CG2 4.04Å; L369-V513 HydrophobicContact CG-CG2 4.09Å; D510-V513 CarbonylContact O-C 3.6Å; D510-V513 WeakPolarHBondContact O-CA 3.32Å; D510-V513 WeakPolarHBondContact O-CB 3.4Å; D510-V513 PolarHBondContact O-N 3.31Å; C511-V513 VanDerWaalsContact C-N 3.34Å; C511-V513 PolarHBondContact O-N 3.31Å; V513-C516 PolarHBondContact O-N 3.01Å; V513-T517 WeakPolarHBondContact O-CB 3.3Å; V513-T517 PolarHBondContact O-N 3.42Å; V513-T517 PolarHBondContact O-OG1 3.41Å; V513-M535 HydrophobicContact CB-SD 4.03Å; V513-M535 HydrophobicContact CG1-SD 3.6Å; V513-I538 HydrophobicContact CG1-CB 4.23Å; V513-I538 HydrophobicContact CG1-CG2 3.59Å; V513-R539 HydrophobicContact CG1-CG 4.25Å; V513-R539 HydrophobicContact CG2-CG 3.72Å; V513-M542 HydrophobicContact CG1-SD 3.91Å
514	F	98.6	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-47.9	172.5	-88.7	-94.1	0	0	0	111.3	S459 P503 Q504 Q505 D510 C511 C516 T517 F518 F530 Q532 M535	S459-F514 VanDerWaalsContact CB-CG 3.5Å; S459-F514 WeakPolarHBondContact OG-CB 3.32Å; P503-F514 HydrophobicContact CB-CE1 3.89Å; P503-F514 WeakPolarHBondContact O-CE1 2.98Å; Q504-F514 WeakPolarHBondContact O-CZ 3.41Å; Q505-F514 HydrophobicContact CB-CD2 3.86Å; Q505-F514 HydrophobicContact CB-CE2 3.49Å; Q505-F514 VanDerWaalsContact CB-CE2 3.49Å; Q505-F514 HydrophobicContact CB-CZ 3.94Å; D510-F514 HydrophobicContact CB-CD2 3.86Å; D510-F514 HydrophobicContact CB-CE2 3.97Å; D510-F514 WeakPolarHBondContact O-CD2 3.11Å; D510-F514 PolarHBondContact O-N 3.42Å; C511-F514 PolarHBondContact O-N 3.37Å; F514-C516 PolarHBondContact O-N 3.08Å; F514-T517 CarbonylContact O-C 3.57Å; F514-T517 PolarHBondContact O-N 3.22Å; F514-T517 VanDerWaalsContact O-N 3.11Å; F514-F518 HydrophobicContact CB-CE2 4.06Å; F514-F518 HydrophobicContact CB-CZ 4.38Å; F514-F518 HydrophobicContact CD1-CE1 4.31Å; F514-F518 HydrophobicContact CD1-CE2 4.34Å; F514-F518 AromaticContact CD1-CZ 3.81Å; F514-F518 HydrophobicContact CD1-CZ 3.81Å; F514-F518 VanDerWaalsContact O-CD2 3.24Å; F514-F518 WeakPolarHBondContact O-CD2 3.3Å; F514-F518 VanDerWaalsContact O-CG 3.28Å; F514-F518 WeakPolarHBondContact O-CG 3.44Å; F514-F518 PolarHBondContact O-N 2.93Å; F514-F530 AromaticContact CD1-CE2 3.67Å; F514-F530 HydrophobicContact CD1-CE2 3.67Å; F514-F530 HydrophobicContact CD1-CZ 4.23Å; F514-F530 AromaticContact CE1-CE2 3.74Å; F514-F530 HydrophobicContact CE1-CE2 3.74Å; F514-F530 HydrophobicContact CG-CE2 4.49Å; F514-Q532 HydrophobicContact CZ-CB 4.39Å; F514-M535 HydrophobicContact CD1-CE 4.45Å; F514-M535 HydrophobicContact CD2-CE 4.08Å; F514-M535 HydrophobicContact CD2-CG 4.31Å; F514-M535 HydrophobicContact CD2-SD 3.61Å; F514-M535 HydrophobicContact CE1-CE 4.15Å; F514-M535 HydrophobicContact CE2-CE 3.76Å; F514-M535 HydrophobicContact CE2-CG 3.66Å; F514-M535 HydrophobicContact CE2-SD 3.5Å; F514-M535 VanDerWaalsContact CE2-SD 3.5Å; F514-M535 HydrophobicContact CG-CE 4.42Å; F514-M535 HydrophobicContact CG-SD 4.36Å; F514-M535 HydrophobicContact CZ-CE 3.8Å; F514-M535 HydrophobicContact CZ-CG 4.28Å; F514-M535 HydrophobicContact CZ-SD 4.18Å
515	L	98.6	Very high	96.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-52	-53	174.9	178	165.8	0	0	0	111.6	I374 L378 P434 W442 C443 L444 C511 T517 F518 G519	I374-L515 HydrophobicContact CG2-CD2 3.75Å; L378-L515 HydrophobicContact CD1-CD2 3.98Å; P434-L515 HydrophobicContact CB-CD1 4.1Å; W442-L515 HydrophobicContact CB-CB 4.5Å; W442-L515 HydrophobicContact CB-CD1 3.81Å; W442-L515 HydrophobicContact CE3-CD1 4.17Å; W442-L515 HydrophobicContact CG-CD1 4.48Å; C443-L515 WeakPolarHBondContact O-CD1 3.44Å; L444-L515 HydrophobicContact CB-CG 4.08Å; L444-L515 HydrophobicContact CD1-CD2 4.42Å; L444-L515 HydrophobicContact CD1-CG 4.47Å; C511-L515 WeakPolarHBondContact O-CB 3.37Å; C511-L515 PolarHBondContact O-N 3.28Å; L515-T517 VanDerWaalsContact C-N 3.29Å; L515-T517 PolarHBondContact O-N 3.01Å; L515-F518 PolarHBondContact O-N 3.22Å; L515-G519 PolarHBondContact O-N 3.24Å; L515-G519 VanDerWaalsContact O-N 3.08Å
516	C	98.7	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-37.5	179.5	-69.1	0	0	0	0	111.8	Y377 G512 V513 F514 G519 E520 M542	Y377-C516 HydrophobicContact CD1-CB 3.6Å; Y377-C516 HydrophobicContact CE1-CB 3.93Å; Y377-C516 HydrophobicContact CG-CB 4.42Å; G512-C516 PolarHBondContact O-N 3.12Å; G512-C516 VanDerWaalsContact O-N 3.14Å; G512-C516 PolarHBondContact O-SG 3.31Å; V513-C516 PolarHBondContact O-N 3.01Å; F514-C516 PolarHBondContact O-N 3.08Å; C516-G519 PolarHBondContact O-N 3.45Å; C516-E520 PolarHBondContact O-N 3.03Å; C516-M542 HydrophobicContact CB-CE 3.51Å; C516-M542 HydrophobicContact CB-SD 4.19Å
517	T	98.4	Very high	96.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.7	-42	179.6	-51.7	0	0	0	0	111.4	L323 V513 F514 L515 G519 E520 F521 F530 I538	L323-T517 HydrophobicContact CD1-CG2 4.05Å; V513-T517 WeakPolarHBondContact O-CB 3.3Å; V513-T517 PolarHBondContact O-N 3.42Å; V513-T517 PolarHBondContact O-OG1 3.41Å; F514-T517 CarbonylContact O-C 3.57Å; F514-T517 PolarHBondContact O-N 3.22Å; F514-T517 VanDerWaalsContact O-N 3.11Å; L515-T517 VanDerWaalsContact C-N 3.29Å; L515-T517 PolarHBondContact O-N 3.01Å; T517-G519 VanDerWaalsContact C-N 3.29Å; T517-G519 PolarHBondContact O-N 2.94Å; T517-E520 WeakPolarHBondContact O-CB 3.37Å; T517-E520 PolarHBondContact O-N 2.89Å; T517-E520 VanDerWaalsContact O-N 3.14Å; T517-F521 HydrophobicContact CG2-CD2 3.97Å; T517-F521 HydrophobicContact CG2-CE2 3.87Å; T517-F521 WeakPolarHBondContact O-CD2 3.32Å; T517-F521 PolarHBondContact O-N 3.41Å; T517-F521 VanDerWaalsContact O-N 3.09Å; T517-F530 HydrophobicContact CG2-CD1 3.58Å; T517-F530 HydrophobicContact CG2-CD2 3.87Å; T517-F530 HydrophobicContact CG2-CE1 3.42Å; T517-F530 VanDerWaalsContact CG2-CE1 3.42Å; T517-F530 HydrophobicContact CG2-CE2 3.72Å; T517-F530 HydrophobicContact CG2-CG 3.79Å; T517-F530 HydrophobicContact CG2-CZ 3.49Å; T517-F530 VanDerWaalsContact CG2-CZ 3.49Å; T517-I538 HydrophobicContact CG2-CD1 4.19Å; T517-I538 WeakPolarHBondContact OG1-CG2 3.35Å
518	F	98.6	Very high	96.7	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-56.2	-46.9	171.4	-65.1	-40.1	0	0	0	110.6	L444 V502 P503 F514 L515 E520 F521 I522 F528 F530	L444-F518 HydrophobicContact CD2-CB 3.81Å; V502-F518 HydrophobicContact CB-CE1 4.2Å; V502-F518 HydrophobicContact CB-CZ 4.34Å; V502-F518 HydrophobicContact CG2-CE1 4.47Å; V502-F518 HydrophobicContact CG2-CZ 4.11Å; P503-F518 HydrophobicContact CB-CE1 4.44Å; F514-F518 HydrophobicContact CB-CE2 4.06Å; F514-F518 HydrophobicContact CB-CZ 4.38Å; F514-F518 HydrophobicContact CD1-CE1 4.31Å; F514-F518 HydrophobicContact CD1-CE2 4.34Å; F514-F518 AromaticContact CD1-CZ 3.81Å; F514-F518 HydrophobicContact CD1-CZ 3.81Å; F514-F518 VanDerWaalsContact O-CD2 3.24Å; F514-F518 WeakPolarHBondContact O-CD2 3.3Å; F514-F518 VanDerWaalsContact O-CG 3.28Å; F514-F518 WeakPolarHBondContact O-CG 3.44Å; F514-F518 PolarHBondContact O-N 2.93Å; L515-F518 PolarHBondContact O-N 3.22Å; F518-E520 VanDerWaalsContact C-N 3.32Å; F518-E520 PolarHBondContact O-N 3.08Å; F518-F521 PolarHBondContact O-N 3.05Å; F518-I522 HydrophobicContact CB-CD1 4.27Å; F518-I522 WeakPolarHBondContact O-CB 3.47Å; F518-I522 WeakPolarHBondContact O-CD1 3.37Å; F518-I522 WeakPolarHBondContact O-CG1 3.4Å; F518-I522 PolarHBondContact O-N 2.89Å; F518-F528 HydrophobicContact CB-CE1 4.31Å; F518-F528 HydrophobicContact CB-CZ 4.45Å; F518-F528 HydrophobicContact CD1-CD1 4.12Å; F518-F528 AromaticContact CD1-CE1 3.76Å; F518-F528 HydrophobicContact CD1-CE1 3.76Å; F518-F528 HydrophobicContact CD1-CE2 4.22Å; F518-F528 AromaticContact CD1-CZ 3.81Å; F518-F528 HydrophobicContact CD1-CZ 3.81Å; F518-F528 HydrophobicContact CG-CE1 4.49Å; F518-F528 HydrophobicContact CG-CZ 4.47Å; F518-F530 HydrophobicContact CD1-CE1 4.13Å; F518-F530 AromaticContact CD1-CZ 3.66Å; F518-F530 HydrophobicContact CD1-CZ 3.66Å; F518-F530 HydrophobicContact CE1-CE1 4.3Å; F518-F530 HydrophobicContact CE1-CE2 4.49Å; F518-F530 AromaticContact CE1-CZ 3.59Å; F518-F530 HydrophobicContact CE1-CZ 3.59Å
519	G	98.4	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-42.8	175.3	0	0	0	0	0	113	L381 L515 C516 T517 F521 S523	L381-G519 VanDerWaalsContact CD1-C 3.47Å; L515-G519 PolarHBondContact O-N 3.24Å; L515-G519 VanDerWaalsContact O-N 3.08Å; C516-G519 PolarHBondContact O-N 3.45Å; T517-G519 VanDerWaalsContact C-N 3.29Å; T517-G519 PolarHBondContact O-N 2.94Å; G519-F521 PolarHBondContact O-N 3.07Å; G519-S523 VanDerWaalsContact O-CB 3.24Å; G519-S523 WeakPolarHBondContact O-CB 3.44Å; G519-S523 PolarHBondContact O-N 3.32Å; G519-S523 PolarHBondContact O-OG 3.1Å
520	E	97.9	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-36.6	178.3	168.2	51.7	-161.7	0	0	113.5	Y377 L381 R384 C516 T517 F518 S523 R524 T553	Y377-E520 HydrophobicContact CE1-CB 4.47Å; L381-E520 HydrophobicContact CD1-CB 4.16Å; L381-E520 HydrophobicContact CD2-CB 4.45Å; L381-E520 WeakPolarHBondContact CD2-OE2 3.43Å; R384-E520 IonicContact CZ-OE1 2.78Å; R384-E520 IonicContact CZ-OE2 2.97Å; R384-E520 VanDerWaalsContact NH1-CD 3.26Å; R384-E520 IonicContact NH1-OE1 3.94Å; R384-E520 PolarHBondContact NH1-OE1 3.27Å; R384-E520 IonicContact NH1-OE2 3.59Å; R384-E520 PolarHBondContact NH1-OE2 2.9Å; R384-E520 IonicContact NH2-OE1 3.92Å; R384-E520 IonicContact NH2-OE2 3.57Å; R384-E520 PolarHBondContact NH2-OE2 3.14Å; C516-E520 PolarHBondContact O-N 3.03Å; T517-E520 WeakPolarHBondContact O-CB 3.37Å; T517-E520 PolarHBondContact O-N 2.89Å; T517-E520 VanDerWaalsContact O-N 3.14Å; F518-E520 VanDerWaalsContact C-N 3.32Å; F518-E520 PolarHBondContact O-N 3.08Å; E520-S523 PolarHBondContact O-OG 3.5Å; E520-R524 PolarHBondContact O-NE 3.33Å; E520-R524 IonicContact OE1-CZ 3.25Å; E520-R524 IonicContact OE1-NE 2.92Å; E520-R524 PolarHBondContact OE1-NE 3.26Å; E520-R524 IonicContact OE1-NH2 2.72Å; E520-T553 VanDerWaalsContact OE1-CB 3.31Å; E520-T553 WeakPolarHBondContact OE1-CB 3.36Å; E520-T553 WeakPolarHBondContact OE1-CG2 3.39Å; E520-T553 PolarHBondContact OE1-OG1 2.88Å
521	F	98	Very high	96.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-78.9	-45	176.8	-84.9	-94.8	0	0	0	112.3	L323 T517 F518 G519 S523 R524 D525 A526 S527 F528 T529 F530	L323-F521 HydrophobicContact CD1-CE2 4.01Å; L323-F521 HydrophobicContact CD2-CE2 3.75Å; L323-F521 HydrophobicContact CD2-CZ 3.89Å; L323-F521 HydrophobicContact CG-CE2 4.01Å; L323-F521 HydrophobicContact CG-CZ 4.07Å; T517-F521 HydrophobicContact CG2-CD2 3.97Å; T517-F521 HydrophobicContact CG2-CE2 3.87Å; T517-F521 WeakPolarHBondContact O-CD2 3.32Å; T517-F521 PolarHBondContact O-N 3.41Å; T517-F521 VanDerWaalsContact O-N 3.09Å; F518-F521 PolarHBondContact O-N 3.05Å; G519-F521 PolarHBondContact O-N 3.07Å; F521-S523 VanDerWaalsContact C-N 3.34Å; F521-S523 PolarHBondContact O-N 3.4Å; F521-R524 PolarHBondContact O-N 3.35Å; F521-R524 VanDerWaalsContact O-N 3.1Å; F521-D525 PolarHBondContact O-N 2.95Å; F521-A526 HydrophobicContact CD1-CB 3.74Å; F521-A526 HydrophobicContact CE1-CB 4.48Å; F521-A526 PolarHBondContact O-N 3.48Å; F521-S527 WeakPolarHBondContact CD1-O 3.34Å; F521-S527 WeakPolarHBondContact CE1-O 3.24Å; F521-F528 HydrophobicContact CB-CD1 3.5Å; F521-F528 VanDerWaalsContact CB-CD1 3.5Å; F521-F528 HydrophobicContact CB-CE1 3.59Å; F521-F528 HydrophobicContact CD1-CD1 4.34Å; F521-F528 HydrophobicContact CD2-CD1 4.36Å; F521-F528 AromaticContact CG-CD1 3.84Å; F521-F528 HydrophobicContact CG-CD1 3.84Å; F521-F528 HydrophobicContact CG-CE1 4.41Å; F521-T529 HydrophobicContact CE1-CG2 4.22Å; F521-T529 VanDerWaalsContact CE1-OG1 3.3Å; F521-T529 WeakPolarHBondContact CE1-OG1 3.46Å; F521-T529 VanDerWaalsContact CZ-OG1 3.3Å; F521-T529 WeakPolarHBondContact CZ-OG1 3.33Å; F521-F530 AromaticContact CD2-CD1 3.86Å; F521-F530 HydrophobicContact CD2-CD1 3.86Å; F521-F530 AromaticContact CD2-CE1 3.93Å; F521-F530 HydrophobicContact CD2-CE1 3.93Å; F521-F530 AromaticContact CE2-CD1 3.41Å; F521-F530 HydrophobicContact CE2-CD1 3.41Å; F521-F530 VanDerWaalsContact CE2-CD1 3.41Å; F521-F530 AromaticContact CE2-CE1 3.97Å; F521-F530 HydrophobicContact CE2-CE1 3.97Å; F521-F530 HydrophobicContact CE2-CG 4.3Å; F521-F530 AromaticContact CZ-CD1 3.92Å; F521-F530 HydrophobicContact CZ-CD1 3.92Å
522	I	98	Very high	96.5	Very high	16 Å²	16	23 Å²	23	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-44.1	179.3	-68.8	164.4	0	0	0	110.6	I430 L432 L444 C446 Y457 F518 R524 D525 F528	I430-I522 HydrophobicContact CD1-CG2 4Å; I430-I522 HydrophobicContact CG2-CG2 3.98Å; L432-I522 HydrophobicContact CD2-CG2 4Å; L444-I522 HydrophobicContact CD2-CD1 3.98Å; C446-I522 HydrophobicContact CB-CD1 4.45Å; Y457-I522 HydrophobicContact CD2-CD1 3.92Å; Y457-I522 HydrophobicContact CE1-CD1 4.16Å; Y457-I522 HydrophobicContact CE2-CD1 3.46Å; Y457-I522 VanDerWaalsContact CE2-CD1 3.46Å; Y457-I522 HydrophobicContact CG-CD1 4.44Å; F518-I522 HydrophobicContact CB-CD1 4.27Å; F518-I522 WeakPolarHBondContact O-CB 3.47Å; F518-I522 WeakPolarHBondContact O-CD1 3.37Å; F518-I522 WeakPolarHBondContact O-CG1 3.4Å; F518-I522 PolarHBondContact O-N 2.89Å; I522-R524 PolarHBondContact O-N 3.09Å; I522-D525 PolarHBondContact O-N 3.4Å; I522-F528 HydrophobicContact CD1-CZ 4.22Å; I522-F528 HydrophobicContact CG1-CE1 4.11Å; I522-F528 HydrophobicContact CG1-CZ 4.01Å
523	S	97.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.2	179	56.5	0	0	0	0	114.7	R384 G519 E520 F521	R384-S523 PolarHBondContact NH2-OG 2.98Å; G519-S523 VanDerWaalsContact O-CB 3.24Å; G519-S523 WeakPolarHBondContact O-CB 3.44Å; G519-S523 PolarHBondContact O-N 3.32Å; G519-S523 PolarHBondContact O-OG 3.1Å; E520-S523 PolarHBondContact O-OG 3.5Å; F521-S523 VanDerWaalsContact C-N 3.34Å; F521-S523 PolarHBondContact O-N 3.4Å
524	R	96.5	Very high	96	Very high	58 Å²	58	32.5 Å²	32.5	22%	0.219	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	8.8	174	-62.8	-170.8	-70.6	92	6.6	113.7	L391 E520 F521 I522 A526	L391-R524 HydrophobicContact CD1-CG 4.24Å; L391-R524 HydrophobicContact CD2-CB 4.25Å; L391-R524 HydrophobicContact CD2-CG 4.2Å; E520-R524 PolarHBondContact O-NE 3.33Å; E520-R524 IonicContact OE1-CZ 3.25Å; E520-R524 IonicContact OE1-NE 2.92Å; E520-R524 PolarHBondContact OE1-NE 3.26Å; E520-R524 IonicContact OE1-NH2 2.72Å; F521-R524 PolarHBondContact O-N 3.35Å; F521-R524 VanDerWaalsContact O-N 3.1Å; I522-R524 PolarHBondContact O-N 3.09Å; R524-A526 HydrophobicContact CB-CB 4.32Å; R524-A526 PolarHBondContact O-N 3.24Å
525	D	95.6	Very high	95.8	Very high	93 Å²	93	32.5 Å²	32.5	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	36.3	-169	-74.4	-31.8	0	0	0	113	P392 R450 F521 I522	P392-D525 HydrophobicContact CG-CB 4.45Å; P392-D525 VanDerWaalsContact CG-CG 3.5Å; P392-D525 WeakPolarHBondContact CG-OD2 3.16Å; R450-D525 IonicContact CZ-OD1 3.34Å; R450-D525 IonicContact CZ-OD2 3.44Å; R450-D525 IonicContact NH1-OD1 3.08Å; R450-D525 PolarHBondContact NH1-OD1 2.92Å; R450-D525 IonicContact NH1-OD2 2.72Å; R450-D525 PolarHBondContact NH1-OD2 3.1Å; R450-D525 IonicContact NH2-OD1 2.74Å; R450-D525 PolarHBondContact NH2-OD1 2.91Å; R450-D525 IonicContact NH2-OD2 3.44Å; F521-D525 PolarHBondContact O-N 2.95Å; I522-D525 PolarHBondContact O-N 3.4Å
526	A	94	Very high	95.6	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-98.5	138.2	-179.1	0	0	0	0	0	111.1	F521 R524	F521-A526 HydrophobicContact CD1-CB 3.74Å; F521-A526 HydrophobicContact CE1-CB 4.48Å; F521-A526 PolarHBondContact O-N 3.48Å; R524-A526 HydrophobicContact CB-CB 4.32Å; R524-A526 PolarHBondContact O-N 3.24Å
527	S	93.4	Very high	95.5	Very high	101 Å²	101	38.3 Å²	38.3	71%	0.706	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-63	145.8	169.9	-54.9	0	0	0	0	110.8	F521 T529	F521-S527 WeakPolarHBondContact CD1-O 3.34Å; F521-S527 WeakPolarHBondContact CE1-O 3.24Å; S527-T529 WeakPolarHBondContact O-CG2 3.47Å; S527-T529 PolarHBondContact O-N 2.94Å
528	F	94.4	Very high	95.4	Very high	55 Å²	55	38.5 Å²	38.5	24%	0.241	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68	120.6	177.4	-54.3	-50.3	0	0	0	111.3	Y457 V502 P503 F518 F521 I522 F530	Y457-F528 HydrophobicContact CD1-CE2 4.13Å; Y457-F528 HydrophobicContact CD1-CZ 4.04Å; Y457-F528 AromaticContact CE1-CE2 3.67Å; Y457-F528 HydrophobicContact CE1-CE2 3.67Å; Y457-F528 AromaticContact CE1-CZ 3.6Å; Y457-F528 HydrophobicContact CE1-CZ 3.6Å; V502-F528 HydrophobicContact CB-CD2 4.33Å; V502-F528 HydrophobicContact CB-CE2 4.29Å; V502-F528 HydrophobicContact CG1-CD2 3.99Å; V502-F528 HydrophobicContact CG1-CE2 3.65Å; P503-F528 HydrophobicContact CG-CB 3.76Å; P503-F528 HydrophobicContact CG-CG 4.4Å; F518-F528 HydrophobicContact CB-CE1 4.31Å; F518-F528 HydrophobicContact CB-CZ 4.45Å; F518-F528 HydrophobicContact CD1-CD1 4.12Å; F518-F528 AromaticContact CD1-CE1 3.76Å; F518-F528 HydrophobicContact CD1-CE1 3.76Å; F518-F528 HydrophobicContact CD1-CE2 4.22Å; F518-F528 AromaticContact CD1-CZ 3.81Å; F518-F528 HydrophobicContact CD1-CZ 3.81Å; F518-F528 HydrophobicContact CG-CE1 4.49Å; F518-F528 HydrophobicContact CG-CZ 4.47Å; F521-F528 HydrophobicContact CB-CD1 3.5Å; F521-F528 VanDerWaalsContact CB-CD1 3.5Å; F521-F528 HydrophobicContact CB-CE1 3.59Å; F521-F528 HydrophobicContact CD1-CD1 4.34Å; F521-F528 HydrophobicContact CD2-CD1 4.36Å; F521-F528 AromaticContact CG-CD1 3.84Å; F521-F528 HydrophobicContact CG-CD1 3.84Å; F521-F528 HydrophobicContact CG-CE1 4.41Å; I522-F528 HydrophobicContact CD1-CZ 4.22Å; I522-F528 HydrophobicContact CG1-CE1 4.11Å; I522-F528 HydrophobicContact CG1-CZ 4.01Å; F528-F530 HydrophobicContact CB-CD1 4.27Å; F528-F530 HydrophobicContact CB-CE1 4.04Å; F528-F530 AromaticContact CD1-CE1 3.87Å; F528-F530 HydrophobicContact CD1-CE1 3.87Å; F528-F530 HydrophobicContact CG-CE1 4.19Å
529	T	91.6	Very high	95.4	Very high	39 Å²	39	38.8 Å²	38.8	24%	0.239	23%	0.229	C	C	.	.			trans	-119.3	16.9	-177.4	63.6	0	0	0	0	113.1	V320 P321 F521 S527	V320-T529 HydrophobicContact CB-CG2 4.5Å; V320-T529 HydrophobicContact CG1-CG2 3.13Å; P321-T529 PolarHBondContact O-OG1 3.01Å; F521-T529 HydrophobicContact CE1-CG2 4.22Å; F521-T529 VanDerWaalsContact CE1-OG1 3.3Å; F521-T529 WeakPolarHBondContact CE1-OG1 3.46Å; F521-T529 VanDerWaalsContact CZ-OG1 3.3Å; F521-T529 WeakPolarHBondContact CZ-OG1 3.33Å; S527-T529 WeakPolarHBondContact O-CG2 3.47Å; S527-T529 PolarHBondContact O-N 2.94Å
530	F	94.3	Very high	95.3	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.053	25%	0.249	C	C	.	.			trans	-119.2	163.4	-176.5	73.6	-84.3	0	0	0	111.3	L323 P503 F514 T517 F518 F521 F528 D534 M535 I538	L323-F530 HydrophobicContact CD1-CB 4.4Å; P503-F530 HydrophobicContact CB-CD2 4.34Å; P503-F530 HydrophobicContact CB-CE2 3.95Å; P503-F530 HydrophobicContact CB-CZ 4.12Å; P503-F530 WeakPolarHBondContact CB-O 3.34Å; P503-F530 HydrophobicContact CG-CD1 4.46Å; P503-F530 HydrophobicContact CG-CE1 4.18Å; P503-F530 HydrophobicContact CG-CE2 4.36Å; P503-F530 HydrophobicContact CG-CZ 4.14Å; P503-F530 VanDerWaalsContact CG-O 3.24Å; P503-F530 WeakPolarHBondContact CG-O 3.5Å; F514-F530 AromaticContact CD1-CE2 3.67Å; F514-F530 HydrophobicContact CD1-CE2 3.67Å; F514-F530 HydrophobicContact CD1-CZ 4.23Å; F514-F530 AromaticContact CE1-CE2 3.74Å; F514-F530 HydrophobicContact CE1-CE2 3.74Å; F514-F530 HydrophobicContact CG-CE2 4.49Å; T517-F530 HydrophobicContact CG2-CD1 3.58Å; T517-F530 HydrophobicContact CG2-CD2 3.87Å; T517-F530 HydrophobicContact CG2-CE1 3.42Å; T517-F530 VanDerWaalsContact CG2-CE1 3.42Å; T517-F530 HydrophobicContact CG2-CE2 3.72Å; T517-F530 HydrophobicContact CG2-CG 3.79Å; T517-F530 HydrophobicContact CG2-CZ 3.49Å; T517-F530 VanDerWaalsContact CG2-CZ 3.49Å; F518-F530 HydrophobicContact CD1-CE1 4.13Å; F518-F530 AromaticContact CD1-CZ 3.66Å; F518-F530 HydrophobicContact CD1-CZ 3.66Å; F518-F530 HydrophobicContact CE1-CE1 4.3Å; F518-F530 HydrophobicContact CE1-CE2 4.49Å; F518-F530 AromaticContact CE1-CZ 3.59Å; F518-F530 HydrophobicContact CE1-CZ 3.59Å; F521-F530 AromaticContact CD2-CD1 3.86Å; F521-F530 HydrophobicContact CD2-CD1 3.86Å; F521-F530 AromaticContact CD2-CE1 3.93Å; F521-F530 HydrophobicContact CD2-CE1 3.93Å; F521-F530 AromaticContact CE2-CD1 3.41Å; F521-F530 HydrophobicContact CE2-CD1 3.41Å; F521-F530 VanDerWaalsContact CE2-CD1 3.41Å; F521-F530 AromaticContact CE2-CE1 3.97Å; F521-F530 HydrophobicContact CE2-CE1 3.97Å; F521-F530 HydrophobicContact CE2-CG 4.3Å; F521-F530 AromaticContact CZ-CD1 3.92Å; F521-F530 HydrophobicContact CZ-CD1 3.92Å; F528-F530 HydrophobicContact CB-CD1 4.27Å; F528-F530 HydrophobicContact CB-CE1 4.04Å; F528-F530 AromaticContact CD1-CE1 3.87Å; F528-F530 HydrophobicContact CD1-CE1 3.87Å; F528-F530 HydrophobicContact CG-CE1 4.19Å; F530-D534 WeakPolarHBondContact CA-OD2 3.38Å; F530-M535 HydrophobicContact CD2-CE 3.49Å; F530-M535 VanDerWaalsContact CD2-CE 3.49Å; F530-M535 HydrophobicContact CE2-CE 3.69Å; F530-I538 HydrophobicContact CB-CD1 4.27Å; F530-I538 HydrophobicContact CD2-CD1 4.17Å; F530-I538 HydrophobicContact CG-CD1 4.43Å
531	S	93.3	Very high	95.2	Very high	46 Å²	46	43.3 Å²	43.3	32%	0.322	25%	0.249	S	C	.	.			trans	-139.4	177.6	-178.7	69.8	0	0	0	0	111.7	D533 D534 M535	S531-D533 PolarHBondContact O-N 2.84Å; S531-D533 PolarHBondContact OG-N 3.42Å; S531-D534 PolarHBondContact N-OD2 2.61Å; S531-D534 PolarHBondContact O-N 3.34Å; S531-D534 VanDerWaalsContact O-N 3.14Å; S531-D534 PolarHBondContact OG-OD2 3.36Å; S531-D534 VanDerWaalsContact OG-OD2 3.06Å; S531-M535 VanDerWaalsContact O-CE 3.32Å; S531-M535 WeakPolarHBondContact O-CE 3.38Å
532	Q	93.2	Very high	95.3	Very high	28 Å²	28	43.1 Å²	43.1	13%	0.131	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.1	172.9	176.8	62.7	77.3	0	0	112.8	Y506 N507 D510 F514 D534 M535	Y506-Q532 HydrophobicContact CD2-CB 3.8Å; Y506-Q532 HydrophobicContact CD2-CG 3.92Å; Y506-Q532 HydrophobicContact CE2-CB 4.3Å; N507-Q532 PolarHBondContact ND2-NE2 3.32Å; D510-Q532 PolarHBondContact OD2-NE2 3.06Å; F514-Q532 HydrophobicContact CZ-CB 4.39Å; Q532-D534 PolarHBondContact O-N 3.28Å; Q532-M535 VanDerWaalsContact NE2-CG 3.33Å; Q532-M535 WeakPolarHBondContact O-CB 3.26Å; Q532-M535 WeakPolarHBondContact O-CG 3.49Å; Q532-M535 PolarHBondContact O-N 3.29Å
533	D	92.6	Very high	95.2	Very high	146 Å²	146	42.7 Å²	42.7	78%	0.781	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.3	-21.9	-178.5	-70.4	-21.3	0	0	0	112.5	S531 P536	S531-D533 PolarHBondContact O-N 2.84Å; S531-D533 PolarHBondContact OG-N 3.42Å; D533-P536 WeakPolarHBondContact O-CD 3.39Å
534	D	94.4	Very high	95.3	Very high	54 Å²	54	43.8 Å²	43.8	29%	0.289	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-83.1	-15.3	179.7	-58.8	-62.7	0	0	0	112.9	F530 S531 Q532 P536 G537 I538	F530-D534 WeakPolarHBondContact CA-OD2 3.38Å; S531-D534 PolarHBondContact N-OD2 2.61Å; S531-D534 PolarHBondContact O-N 3.34Å; S531-D534 VanDerWaalsContact O-N 3.14Å; S531-D534 PolarHBondContact OG-OD2 3.36Å; S531-D534 VanDerWaalsContact OG-OD2 3.06Å; Q532-D534 PolarHBondContact O-N 3.28Å; D534-P536 VanDerWaalsContact C-CD 3.48Å; D534-G537 WeakPolarHBondContact O-CA 3.45Å; D534-G537 PolarHBondContact O-N 3.37Å; D534-I538 HydrophobicContact CB-CD1 3.74Å; D534-I538 HydrophobicContact CB-CG1 4.2Å; D534-I538 WeakPolarHBondContact O-CG1 3.26Å; D534-I538 PolarHBondContact O-N 3.48Å
535	M	95.4	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-53.7	-42.5	-172.9	-68.6	-58.4	117.9	0	0	114.4	D510 V513 F514 F530 S531 Q532 G537 I538 R539	D510-M535 HydrophobicContact CB-CG 4.08Å; D510-M535 HydrophobicContact CB-SD 4.27Å; D510-M535 WeakPolarHBondContact OD2-CB 3.22Å; D510-M535 WeakPolarHBondContact OD2-CG 3.39Å; V513-M535 HydrophobicContact CB-SD 4.03Å; V513-M535 HydrophobicContact CG1-SD 3.6Å; F514-M535 HydrophobicContact CD1-CE 4.45Å; F514-M535 HydrophobicContact CD2-CE 4.08Å; F514-M535 HydrophobicContact CD2-CG 4.31Å; F514-M535 HydrophobicContact CD2-SD 3.61Å; F514-M535 HydrophobicContact CE1-CE 4.15Å; F514-M535 HydrophobicContact CE2-CE 3.76Å; F514-M535 HydrophobicContact CE2-CG 3.66Å; F514-M535 HydrophobicContact CE2-SD 3.5Å; F514-M535 VanDerWaalsContact CE2-SD 3.5Å; F514-M535 HydrophobicContact CG-CE 4.42Å; F514-M535 HydrophobicContact CG-SD 4.36Å; F514-M535 HydrophobicContact CZ-CE 3.8Å; F514-M535 HydrophobicContact CZ-CG 4.28Å; F514-M535 HydrophobicContact CZ-SD 4.18Å; F530-M535 HydrophobicContact CD2-CE 3.49Å; F530-M535 VanDerWaalsContact CD2-CE 3.49Å; F530-M535 HydrophobicContact CE2-CE 3.69Å; S531-M535 VanDerWaalsContact O-CE 3.32Å; S531-M535 WeakPolarHBondContact O-CE 3.38Å; Q532-M535 VanDerWaalsContact NE2-CG 3.33Å; Q532-M535 WeakPolarHBondContact O-CB 3.26Å; Q532-M535 WeakPolarHBondContact O-CG 3.49Å; Q532-M535 PolarHBondContact O-N 3.29Å; M535-G537 VanDerWaalsContact C-N 3.29Å; M535-G537 PolarHBondContact O-N 3.24Å; M535-I538 HydrophobicContact CE-CD1 3.52Å; M535-I538 PolarHBondContact O-N 2.88Å; M535-I538 HydrophobicContact SD-CD1 4.43Å; M535-R539 WeakPolarHBondContact O-CB 3.49Å; M535-R539 WeakPolarHBondContact O-CG 3.36Å; M535-R539 PolarHBondContact O-N 3.3Å
536	P	94.5	Very high	95.4	Very high	80 Å²	80	36.7 Å²	36.7	52%	0.519	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-36	176.4	-23.2	35.1	0	0	0	113.1	D533 D534 K540	D533-P536 WeakPolarHBondContact O-CD 3.39Å; D534-P536 VanDerWaalsContact C-CD 3.48Å; P536-K540 WeakPolarHBondContact O-CG 3.19Å; P536-K540 PolarHBondContact O-N 2.87Å
537	G	94.9	Very high	95.5	Very high	42 Å²	42	36.8 Å²	36.8	43%	0.433	21%	0.213	S	C	.	.	H	α-helix	trans	-71.9	-43.8	176	0	0	0	0	0	111.7	D534 M535 K540 R541	D534-G537 WeakPolarHBondContact O-CA 3.45Å; D534-G537 PolarHBondContact O-N 3.37Å; M535-G537 VanDerWaalsContact C-N 3.29Å; M535-G537 PolarHBondContact O-N 3.24Å; G537-K540 PolarHBondContact O-N 3.43Å; G537-R541 PolarHBondContact O-N 2.99Å
538	I	97.2	Very high	95.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-43	179.2	-65.9	169.8	0	0	0	111.1	L323 V513 T517 F530 D534 M535 K540 R541 M542	L323-I538 HydrophobicContact CD1-CD1 3.62Å; L323-I538 HydrophobicContact CD1-CG1 3.63Å; V513-I538 HydrophobicContact CG1-CB 4.23Å; V513-I538 HydrophobicContact CG1-CG2 3.59Å; T517-I538 HydrophobicContact CG2-CD1 4.19Å; T517-I538 WeakPolarHBondContact OG1-CG2 3.35Å; F530-I538 HydrophobicContact CB-CD1 4.27Å; F530-I538 HydrophobicContact CD2-CD1 4.17Å; F530-I538 HydrophobicContact CG-CD1 4.43Å; D534-I538 HydrophobicContact CB-CD1 3.74Å; D534-I538 HydrophobicContact CB-CG1 4.2Å; D534-I538 WeakPolarHBondContact O-CG1 3.26Å; D534-I538 PolarHBondContact O-N 3.48Å; M535-I538 HydrophobicContact CE-CD1 3.52Å; M535-I538 PolarHBondContact O-N 2.88Å; M535-I538 HydrophobicContact SD-CD1 4.43Å; I538-K540 VanDerWaalsContact C-N 3.31Å; I538-K540 PolarHBondContact O-N 3.47Å; I538-R541 WeakPolarHBondContact O-CB 3.44Å; I538-R541 PolarHBondContact O-N 2.69Å; I538-M542 HydrophobicContact CG2-CG 4.25Å; I538-M542 HydrophobicContact CG2-SD 4.06Å; I538-M542 WeakPolarHBondContact O-CG 3.48Å; I538-M542 PolarHBondContact O-N 2.76Å
539	R	97.7	Very high	95.7	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-54.5	-47.5	174.2	-81.1	174.1	173.6	-84.6	0.7	111.8	T362 L363 G365 N367 S509 D510 V513 M535 M542 M543	T362-R539 PolarHBondContact O-NH1 2.91Å; L363-R539 HydrophobicContact CD2-CG 4.45Å; L363-R539 WeakPolarHBondContact O-CB 3.14Å; L363-R539 WeakPolarHBondContact O-CD 3.34Å; L363-R539 PolarHBondContact O-NH1 2.92Å; G365-R539 WeakPolarHBondContact O-CD 3.46Å; G365-R539 PolarHBondContact O-NE 2.78Å; N367-R539 PolarHBondContact O-NH1 3.48Å; N367-R539 VanDerWaalsContact O-NH1 3.15Å; N367-R539 PolarHBondContact O-NH2 2.71Å; S509-R539 PolarHBondContact O-NH2 3.31Å; D510-R539 IonicContact OD1-CZ 3.65Å; D510-R539 VanDerWaalsContact OD1-CZ 3.25Å; D510-R539 IonicContact OD1-NE 2.9Å; D510-R539 PolarHBondContact OD1-NE 2.83Å; D510-R539 IonicContact OD1-NH2 2.71Å; D510-R539 PolarHBondContact OD1-NH2 2.94Å; V513-R539 HydrophobicContact CG1-CG 4.25Å; V513-R539 HydrophobicContact CG2-CG 3.72Å; M535-R539 WeakPolarHBondContact O-CB 3.49Å; M535-R539 WeakPolarHBondContact O-CG 3.36Å; M535-R539 PolarHBondContact O-N 3.3Å; R539-M542 PolarHBondContact O-N 2.99Å; R539-M543 WeakPolarHBondContact O-CG 3.46Å; R539-M543 PolarHBondContact O-N 3.49Å
540	K	96.9	Very high	95.9	Very high	93 Å²	93	32 Å²	32	40%	0.404	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-44.2	176.8	-67.2	172.7	178.3	-173	0	111.9	L326 L331 P536 G537 I538 M543 Y544	L326-K540 HydrophobicContact CD1-CB 4.03Å; L326-K540 VanDerWaalsContact CD1-O 3.32Å; L326-K540 WeakPolarHBondContact CD1-O 3.36Å; L331-K540 HydrophobicContact CD2-CB 4.21Å; L331-K540 HydrophobicContact CD2-CD 3.73Å; L331-K540 HydrophobicContact CD2-CG 4.4Å; P536-K540 WeakPolarHBondContact O-CG 3.19Å; P536-K540 PolarHBondContact O-N 2.87Å; G537-K540 PolarHBondContact O-N 3.43Å; I538-K540 VanDerWaalsContact C-N 3.31Å; I538-K540 PolarHBondContact O-N 3.47Å; K540-M543 HydrophobicContact CB-CE 4.3Å; K540-M543 HydrophobicContact CG-CE 3.95Å; K540-M543 WeakPolarHBondContact O-CB 3.45Å; K540-M543 PolarHBondContact O-N 3.24Å; K540-Y544 PolarHBondContact O-N 3.08Å; K540-Y544 VanDerWaalsContact O-N 3.08Å
541	R	97	Very high	96	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-55.6	-52.5	174.9	-173.3	-175.5	71.2	108.2	-1.8	110.7	Y377 G537 I538 M543 Y544 E545 L552	Y377-R541 PolarHBondContact OH-NH2 3.08Å; Y377-R541 VanDerWaalsContact OH-NH2 3.08Å; G537-R541 PolarHBondContact O-N 2.99Å; I538-R541 WeakPolarHBondContact O-CB 3.44Å; I538-R541 PolarHBondContact O-N 2.69Å; R541-M543 VanDerWaalsContact C-N 3.3Å; R541-M543 PolarHBondContact O-N 2.84Å; R541-Y544 WeakPolarHBondContact O-CB 3.47Å; R541-Y544 PolarHBondContact O-N 3.46Å; R541-E545 HydrophobicContact CG-CG 4.1Å; R541-E545 IonicContact CZ-OE1 3.53Å; R541-E545 IonicContact CZ-OE2 3.43Å; R541-E545 IonicContact NE-OE1 3.89Å; R541-E545 IonicContact NE-OE2 3.89Å; R541-E545 VanDerWaalsContact NH1-CD 3.32Å; R541-E545 IonicContact NH1-OE1 2.71Å; R541-E545 PolarHBondContact NH1-OE1 3.18Å; R541-E545 IonicContact NH1-OE2 3.18Å; R541-E545 PolarHBondContact NH1-OE2 2.99Å; R541-E545 IonicContact NH2-OE2 3.89Å; R541-E545 VanDerWaalsContact O-CG 3.3Å; R541-E545 WeakPolarHBondContact O-CG 3.39Å; R541-E545 PolarHBondContact O-N 2.92Å; R541-L552 HydrophobicContact CG-CD1 4.25Å
542	M	98.1	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.7	-42.3	178.2	-71.4	176.2	69.5	0	0	112	L363 L369 Y377 V513 C516 I538 R539 Y544 E545 I546	L363-M542 HydrophobicContact CD1-CB 4.08Å; L363-M542 HydrophobicContact CD2-CB 4Å; L363-M542 HydrophobicContact CD2-CE 3.95Å; L363-M542 HydrophobicContact CD2-SD 3.99Å; L369-M542 HydrophobicContact CD1-CE 4.18Å; Y377-M542 HydrophobicContact CD1-CE 4.17Å; Y377-M542 HydrophobicContact CD2-CB 4.49Å; Y377-M542 HydrophobicContact CD2-CE 4.09Å; Y377-M542 HydrophobicContact CD2-CG 4.28Å; Y377-M542 HydrophobicContact CE1-CE 4.48Å; Y377-M542 HydrophobicContact CE2-CB 4.23Å; Y377-M542 HydrophobicContact CE2-CE 4.43Å; Y377-M542 HydrophobicContact CE2-CG 3.78Å; Y377-M542 HydrophobicContact CG-CE 3.95Å; V513-M542 HydrophobicContact CG1-SD 3.91Å; C516-M542 HydrophobicContact CB-CE 3.51Å; C516-M542 HydrophobicContact CB-SD 4.19Å; I538-M542 HydrophobicContact CG2-CG 4.25Å; I538-M542 HydrophobicContact CG2-SD 4.06Å; I538-M542 WeakPolarHBondContact O-CG 3.48Å; I538-M542 PolarHBondContact O-N 2.76Å; R539-M542 PolarHBondContact O-N 2.99Å; M542-Y544 VanDerWaalsContact C-N 3.33Å; M542-Y544 PolarHBondContact O-N 2.87Å; M542-E545 PolarHBondContact O-N 3.37Å; M542-I546 WeakPolarHBondContact O-CB 3.46Å; M542-I546 WeakPolarHBondContact O-CD1 3.36Å; M542-I546 WeakPolarHBondContact O-CG1 3.33Å; M542-I546 PolarHBondContact O-N 2.89Å
543	M	97.9	Very high	96	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.039	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-46.2	175.4	-71.3	-175.3	-79	0	0	111.7	V334 L338 L360 L363 T364 R539 K540 R541 L547	V334-M543 HydrophobicContact CG1-CB 3.7Å; V334-M543 HydrophobicContact CG1-CE 3.9Å; V334-M543 HydrophobicContact CG1-CG 4.37Å; V334-M543 HydrophobicContact CG1-SD 3.85Å; V334-M543 HydrophobicContact CG2-CB 4.18Å; L338-M543 HydrophobicContact CD1-SD 3.9Å; L338-M543 HydrophobicContact CD2-SD 4.48Å; L360-M543 HydrophobicContact CD1-CB 4.09Å; L360-M543 HydrophobicContact CD1-CG 3.96Å; L360-M543 HydrophobicContact CG-CG 4.2Å; L363-M543 HydrophobicContact CB-CE 4.41Å; L363-M543 HydrophobicContact CB-CG 3.44Å; L363-M543 VanDerWaalsContact CB-CG 3.44Å; L363-M543 HydrophobicContact CB-SD 3.81Å; L363-M543 HydrophobicContact CD1-CB 4.44Å; L363-M543 HydrophobicContact CD1-CG 3.55Å; L363-M543 HydrophobicContact CG-CG 4.11Å; T364-M543 HydrophobicContact CG2-SD 4.05Å; R539-M543 WeakPolarHBondContact O-CG 3.46Å; R539-M543 PolarHBondContact O-N 3.49Å; K540-M543 HydrophobicContact CB-CE 4.3Å; K540-M543 HydrophobicContact CG-CE 3.95Å; K540-M543 WeakPolarHBondContact O-CB 3.45Å; K540-M543 PolarHBondContact O-N 3.24Å; R541-M543 VanDerWaalsContact C-N 3.3Å; R541-M543 PolarHBondContact O-N 2.84Å; M543-L547 WeakPolarHBondContact O-CB 3.47Å; M543-L547 VanDerWaalsContact O-CG 3.23Å; M543-L547 WeakPolarHBondContact O-CG 3.37Å; M543-L547 PolarHBondContact O-N 2.76Å
544	Y	97.8	Very high	95.8	Very high	23 Å²	23	25.4 Å²	25.4	9%	0.09	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-44.8	177.4	-178.7	-89.8	0	0	0	112.3	L326 Q330 V334 K540 R541 M542 I546 L547 T548 L552	L326-Y544 HydrophobicContact CD1-CG 4.37Å; L326-Y544 HydrophobicContact CD2-CD1 4.07Å; L326-Y544 HydrophobicContact CD2-CG 3.95Å; Q330-Y544 HydrophobicContact CB-CD2 3.71Å; Q330-Y544 HydrophobicContact CB-CE2 3.55Å; Q330-Y544 HydrophobicContact CB-CG 4.39Å; Q330-Y544 HydrophobicContact CG-CD2 4.13Å; Q330-Y544 HydrophobicContact CG-CE1 4.34Å; Q330-Y544 HydrophobicContact CG-CE2 3.49Å; Q330-Y544 VanDerWaalsContact CG-CE2 3.49Å; V334-Y544 HydrophobicContact CG2-CD2 4.24Å; V334-Y544 HydrophobicContact CG2-CG 4.48Å; K540-Y544 PolarHBondContact O-N 3.08Å; K540-Y544 VanDerWaalsContact O-N 3.08Å; R541-Y544 WeakPolarHBondContact O-CB 3.47Å; R541-Y544 PolarHBondContact O-N 3.46Å; M542-Y544 VanDerWaalsContact C-N 3.33Å; M542-Y544 PolarHBondContact O-N 2.87Å; Y544-I546 VanDerWaalsContact C-N 3.3Å; Y544-I546 PolarHBondContact O-N 2.63Å; Y544-L547 PolarHBondContact O-N 3.28Å; Y544-T548 HydrophobicContact CD1-CG2 4.33Å; Y544-T548 HydrophobicContact CD2-CG2 4.13Å; Y544-T548 HydrophobicContact CE1-CG2 3.89Å; Y544-T548 WeakPolarHBondContact CE1-OG1 3.38Å; Y544-T548 HydrophobicContact CE2-CG2 3.7Å; Y544-T548 HydrophobicContact CG-CG2 4.44Å; Y544-T548 WeakPolarHBondContact O-CB 3.32Å; Y544-T548 PolarHBondContact O-N 3.31Å; Y544-T548 PolarHBondContact O-OG1 3.01Å; Y544-L552 HydrophobicContact CD1-CD1 3.99Å; Y544-L552 HydrophobicContact CD1-CD2 4.25Å; Y544-L552 HydrophobicContact CD1-CG 4.28Å; Y544-L552 HydrophobicContact CE1-CD1 4.3Å; Y544-L552 HydrophobicContact CE1-CD2 3.85Å; Y544-L552 HydrophobicContact CE1-CG 4.37Å
545	E	98	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-35.8	-179.4	-66.4	-177.3	152.3	0	0	111.8	Y377 R541 M542 Q549 Q550 L551 L552	Y377-E545 HydrophobicContact CE2-CB 4.32Å; Y377-E545 VanDerWaalsContact CE2-OE2 3.26Å; Y377-E545 WeakPolarHBondContact CE2-OE2 3.49Å; Y377-E545 PolarHBondContact OH-OE2 3.08Å; R541-E545 HydrophobicContact CG-CG 4.1Å; R541-E545 IonicContact CZ-OE1 3.53Å; R541-E545 IonicContact CZ-OE2 3.43Å; R541-E545 IonicContact NE-OE1 3.89Å; R541-E545 IonicContact NE-OE2 3.89Å; R541-E545 VanDerWaalsContact NH1-CD 3.32Å; R541-E545 IonicContact NH1-OE1 2.71Å; R541-E545 PolarHBondContact NH1-OE1 3.18Å; R541-E545 IonicContact NH1-OE2 3.18Å; R541-E545 PolarHBondContact NH1-OE2 2.99Å; R541-E545 IonicContact NH2-OE2 3.89Å; R541-E545 VanDerWaalsContact O-CG 3.3Å; R541-E545 WeakPolarHBondContact O-CG 3.39Å; R541-E545 PolarHBondContact O-N 2.92Å; M542-E545 PolarHBondContact O-N 3.37Å; E545-Q549 CarbonylContact O-C 3.5Å; E545-Q549 WeakPolarHBondContact O-CA 3.4Å; E545-Q549 PolarHBondContact O-N 2.94Å; E545-Q550 WeakPolarHBondContact CA-O 3.4Å; E545-Q550 WeakPolarHBondContact CB-O 3.23Å; E545-Q550 VanDerWaalsContact CG-O 3.25Å; E545-Q550 WeakPolarHBondContact CG-O 3.43Å; E545-Q550 PolarHBondContact O-N 2.64Å; E545-L551 HydrophobicContact CB-CD2 4.4Å; E545-L552 HydrophobicContact CG-CG 4.2Å; E545-L552 PolarHBondContact OE1-N 3.07Å
546	I	97.5	Very high	95.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-51.6	174	-68.5	167.1	0	0	0	110.4	V348 V355 L360 L363 V373 F376 Y377 M542 Y544 T548 Q549	V348-I546 HydrophobicContact CG2-CG2 4.36Å; V348-I546 WeakPolarHBondContact CG2-O 3.42Å; V355-I546 HydrophobicContact CG1-CG2 4.18Å; V355-I546 HydrophobicContact CG2-CG2 4.44Å; L360-I546 HydrophobicContact CD1-CB 4.46Å; L360-I546 HydrophobicContact CD1-CG2 4.29Å; L363-I546 HydrophobicContact CD1-CD1 3.84Å; V373-I546 HydrophobicContact CG1-CD1 3.87Å; F376-I546 HydrophobicContact CD1-CB 4.39Å; F376-I546 HydrophobicContact CD1-CG1 3.97Å; F376-I546 HydrophobicContact CD1-CG2 3.95Å; F376-I546 HydrophobicContact CE1-CB 4.3Å; F376-I546 HydrophobicContact CE1-CG1 4.27Å; F376-I546 HydrophobicContact CE1-CG2 3.89Å; Y377-I546 HydrophobicContact CD2-CD1 4.41Å; Y377-I546 HydrophobicContact CD2-CG1 4.17Å; M542-I546 WeakPolarHBondContact O-CB 3.46Å; M542-I546 WeakPolarHBondContact O-CD1 3.36Å; M542-I546 WeakPolarHBondContact O-CG1 3.33Å; M542-I546 PolarHBondContact O-N 2.89Å; Y544-I546 VanDerWaalsContact C-N 3.3Å; Y544-I546 PolarHBondContact O-N 2.63Å; I546-T548 VanDerWaalsContact C-N 3.31Å; I546-T548 PolarHBondContact O-N 2.85Å; I546-Q549 PolarHBondContact O-N 3.06Å
547	L	96.1	Very high	95.5	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.168	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-38.9	-178.5	-75.9	170.8	0	0	0	113.2	V334 A337 L347 L360 M543 Y544	V334-L547 HydrophobicContact CG2-CD1 4.32Å; A337-L547 HydrophobicContact CB-CD1 3.5Å; A337-L547 VanDerWaalsContact CB-CD1 3.5Å; A337-L547 HydrophobicContact CB-CD2 3.99Å; A337-L547 HydrophobicContact CB-CG 4.41Å; L347-L547 HydrophobicContact CB-CD2 4.13Å; L347-L547 HydrophobicContact CD1-CD2 4.1Å; L360-L547 HydrophobicContact CD2-CD1 3.97Å; L360-L547 HydrophobicContact CD2-CD2 3.82Å; L360-L547 HydrophobicContact CD2-CG 3.92Å; M543-L547 WeakPolarHBondContact O-CB 3.47Å; M543-L547 VanDerWaalsContact O-CG 3.23Å; M543-L547 WeakPolarHBondContact O-CG 3.37Å; M543-L547 PolarHBondContact O-N 2.76Å; Y544-L547 PolarHBondContact O-N 3.28Å
548	T	95.5	Very high	95.3	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.135	14%	0.144	C	C	.	.	H	α-helix	trans	-96.9	-7.5	-176.9	61.3	0	0	0	0	113.7	Y544 I546 Q550	Y544-T548 HydrophobicContact CD1-CG2 4.33Å; Y544-T548 HydrophobicContact CD2-CG2 4.13Å; Y544-T548 HydrophobicContact CE1-CG2 3.89Å; Y544-T548 WeakPolarHBondContact CE1-OG1 3.38Å; Y544-T548 HydrophobicContact CE2-CG2 3.7Å; Y544-T548 HydrophobicContact CG-CG2 4.44Å; Y544-T548 WeakPolarHBondContact O-CB 3.32Å; Y544-T548 PolarHBondContact O-N 3.31Å; Y544-T548 PolarHBondContact O-OG1 3.01Å; I546-T548 VanDerWaalsContact C-N 3.31Å; I546-T548 PolarHBondContact O-N 2.85Å; T548-Q550 PolarHBondContact O-N 2.99Å; T548-Q550 VanDerWaalsContact O-N 3.16Å
549	Q	95.5	Very high	94.7	Very high	28 Å²	28	34 Å²	34	13%	0.131	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	32.9	-174.8	-54.4	149.7	16.9	0	0	111.8	V348 K350 F376 E545 I546 L558	V348-Q549 HydrophobicContact CG1-CG 4.16Å; K350-Q549 HydrophobicContact CG-CG 4.4Å; F376-Q549 HydrophobicContact CZ-CG 4.38Å; E545-Q549 CarbonylContact O-C 3.5Å; E545-Q549 WeakPolarHBondContact O-CA 3.4Å; E545-Q549 PolarHBondContact O-N 2.94Å; I546-Q549 PolarHBondContact O-N 3.06Å; Q549-L558 HydrophobicContact CB-CB 3.81Å; Q549-L558 HydrophobicContact CB-CD2 4.4Å; Q549-L558 PolarHBondContact O-N 3.41Å
550	Q	95.5	Very high	93.4	Very high	45 Å²	45	40.1 Å²	40.1	21%	0.21	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.6	-176.5	-175.7	179.6	26.1	0	0	110.3	E545 T548 F556 K557	E545-Q550 WeakPolarHBondContact CA-O 3.4Å; E545-Q550 WeakPolarHBondContact CB-O 3.23Å; E545-Q550 VanDerWaalsContact CG-O 3.25Å; E545-Q550 WeakPolarHBondContact CG-O 3.43Å; E545-Q550 PolarHBondContact O-N 2.64Å; T548-Q550 PolarHBondContact O-N 2.99Å; T548-Q550 VanDerWaalsContact O-N 3.16Å; Q550-F556 CarbonylContact C-O 3.57Å; Q550-F556 WeakPolarHBondContact CA-O 3.22Å; Q550-F556 WeakPolarHBondContact CG-O 3.15Å; Q550-K557 HydrophobicContact CB-CB 4.14Å; Q550-K557 HydrophobicContact CB-CG 4.12Å; Q550-K557 HydrophobicContact CG-CB 3.98Å; Q550-K557 HydrophobicContact CG-CG 4.43Å
551	L	96.6	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.5	175.3	-66.4	171.2	0	0	0	110.2	Y377 L380 L381 R384 E545 T553 T554 N555 F556	Y377-L551 HydrophobicContact CE2-CD2 4.28Å; L380-L551 HydrophobicContact CD2-CD2 3.72Å; L380-L551 HydrophobicContact CD2-CG 3.93Å; L380-L551 HydrophobicContact CG-CD1 4.11Å; L380-L551 HydrophobicContact CG-CD2 4.05Å; L380-L551 HydrophobicContact CG-CG 3.91Å; L381-L551 HydrophobicContact CD2-CD1 3.66Å; L381-L551 HydrophobicContact CD2-CD2 3.81Å; L381-L551 HydrophobicContact CD2-CG 4.41Å; R384-L551 HydrophobicContact CB-CD1 3.76Å; R384-L551 HydrophobicContact CG-CD1 4.24Å; E545-L551 HydrophobicContact CB-CD2 4.4Å; L551-T553 VanDerWaalsContact C-N 3.28Å; L551-T553 PolarHBondContact O-N 2.82Å; L551-T554 PolarHBondContact O-N 3.13Å; L551-N555 WeakPolarHBondContact O-CA 3.49Å; L551-N555 PolarHBondContact O-N 3.45Å; L551-F556 HydrophobicContact CD1-CD1 4.37Å; L551-F556 PolarHBondContact N-O 3.11Å; L551-F556 PolarHBondContact O-N 3.06Å
552	L	94.9	Very high	90.2	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.11	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.6	-171.5	-65.4	-176.5	0	0	0	113.7	P324 L326 R541 Y544 E545 T554	P324-L552 HydrophobicContact CB-CB 4.12Å; P324-L552 HydrophobicContact CG-CB 4.25Å; L326-L552 HydrophobicContact CD2-CD1 3.36Å; R541-L552 HydrophobicContact CG-CD1 4.25Å; Y544-L552 HydrophobicContact CD1-CD1 3.99Å; Y544-L552 HydrophobicContact CD1-CD2 4.25Å; Y544-L552 HydrophobicContact CD1-CG 4.28Å; Y544-L552 HydrophobicContact CE1-CD1 4.3Å; Y544-L552 HydrophobicContact CE1-CD2 3.85Å; Y544-L552 HydrophobicContact CE1-CG 4.37Å; E545-L552 HydrophobicContact CG-CG 4.2Å; E545-L552 PolarHBondContact OE1-N 3.07Å; L552-T554 PolarHBondContact O-N 2.95Å
553	T	91.5	Very high	88.3	Confident	39 Å²	39	43 Å²	43	24%	0.239	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.3	179	48	0	0	0	0	113.4	L323 P324 R384 E520 L551	L323-T553 HydrophobicContact CD2-CG2 3.8Å; P324-T553 HydrophobicContact CG-CG2 4.26Å; R384-T553 PolarHBondContact NH1-OG1 3.33Å; E520-T553 VanDerWaalsContact OE1-CB 3.31Å; E520-T553 WeakPolarHBondContact OE1-CB 3.36Å; E520-T553 WeakPolarHBondContact OE1-CG2 3.39Å; E520-T553 PolarHBondContact OE1-OG1 2.88Å; L551-T553 VanDerWaalsContact C-N 3.28Å; L551-T553 PolarHBondContact O-N 2.82Å
554	T	90.1	Very high	86	Confident	33 Å²	33	50 Å²	50	20%	0.202	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-3.2	-174	50.6	0	0	0	0	112.6	R384 L391 L551 L552 F556	R384-T554 WeakPolarHBondContact CD-OG1 3.49Å; L391-T554 HydrophobicContact CD1-CG2 4.47Å; L551-T554 PolarHBondContact O-N 3.13Å; L552-T554 PolarHBondContact O-N 2.95Å; T554-F556 PolarHBondContact O-N 3.35Å; T554-F556 VanDerWaalsContact O-N 3.11Å
555	N	91.4	Very high	83.3	Confident	117 Å²	117	60 Å²	60	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	17.3	-170.6	-60.4	-53.3	0	0	0	114.2	L551 K557	L551-N555 WeakPolarHBondContact O-CA 3.49Å; L551-N555 PolarHBondContact O-N 3.45Å; N555-K557 PolarHBondContact O-N 3.1Å
556	F	93	Very high	82.6	Confident	18 Å²	18	63 Å²	63	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.2	174	172.5	-100.4	0	0	0	109.6	L380 R383 R384 H387 Q550 L551 T554 L558	L380-F556 HydrophobicContact CD1-CE1 4.39Å; R383-F556 HydrophobicContact CB-CE1 4.29Å; R383-F556 HydrophobicContact CB-CZ 4.29Å; R384-F556 HydrophobicContact CB-CB 4.24Å; R384-F556 HydrophobicContact CB-CD1 3.51Å; R384-F556 HydrophobicContact CB-CD2 4.41Å; R384-F556 HydrophobicContact CB-CE1 3.93Å; R384-F556 HydrophobicContact CB-CG 3.78Å; R384-F556 HydrophobicContact CG-CB 3.72Å; R384-F556 HydrophobicContact CG-CD1 4Å; R384-F556 HydrophobicContact CG-CD2 4.35Å; R384-F556 HydrophobicContact CG-CG 3.75Å; H387-F556 HydrophobicContact CB-CD2 4.21Å; H387-F556 HydrophobicContact CB-CE2 3.57Å; H387-F556 HydrophobicContact CB-CZ 4.42Å; H387-F556 AromaticContact CD2-CE2 3.8Å; H387-F556 AromaticContact CD2-CZ 3.86Å; H387-F556 AromaticContact CG-CE2 3.71Å; Q550-F556 CarbonylContact C-O 3.57Å; Q550-F556 WeakPolarHBondContact CA-O 3.22Å; Q550-F556 WeakPolarHBondContact CG-O 3.15Å; L551-F556 HydrophobicContact CD1-CD1 4.37Å; L551-F556 PolarHBondContact N-O 3.11Å; L551-F556 PolarHBondContact O-N 3.06Å; T554-F556 PolarHBondContact O-N 3.35Å; T554-F556 VanDerWaalsContact O-N 3.11Å; F556-L558 HydrophobicContact CZ-CD1 4.35Å
557	K	93.4	Very high	81.8	Confident	119 Å²	119	66.3 Å²	66.3	52%	0.517	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.9	175.7	-175.5	174.9	178.8	-175.6	0	109.2	Q550 N555	Q550-K557 HydrophobicContact CB-CB 4.14Å; Q550-K557 HydrophobicContact CB-CG 4.12Å; Q550-K557 HydrophobicContact CG-CB 3.98Å; Q550-K557 HydrophobicContact CG-CG 4.43Å; N555-K557 PolarHBondContact O-N 3.1Å
558	L	90.5	Very high	81	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.021	36%	0.364	C	S	.	.			trans	-70.3	134.3	173.9	-164	70.2	0	0	0	109.9	K350 F351 L380 R383 Q549 F556 D562	K350-L558 HydrophobicContact CB-CD2 4.16Å; K350-L558 HydrophobicContact CD-CD2 3.94Å; K350-L558 HydrophobicContact CG-CD2 3.89Å; F351-L558 HydrophobicContact CE1-CD1 4.18Å; F351-L558 HydrophobicContact CE1-CD2 3.91Å; F351-L558 HydrophobicContact CE2-CD2 4.46Å; F351-L558 HydrophobicContact CZ-CD1 4.25Å; F351-L558 HydrophobicContact CZ-CD2 3.65Å; L380-L558 HydrophobicContact CD1-CB 4.46Å; R383-L558 HydrophobicContact CB-CD1 4.16Å; R383-L558 HydrophobicContact CG-CD1 3.7Å; Q549-L558 HydrophobicContact CB-CB 3.81Å; Q549-L558 HydrophobicContact CB-CD2 4.4Å; Q549-L558 PolarHBondContact O-N 3.41Å; F556-L558 HydrophobicContact CZ-CD1 4.35Å; L558-D562 HydrophobicContact CD1-CB 3.7Å; L558-D562 HydrophobicContact CG-CB 4.23Å
559	N	83.6	Confident	80.2	Confident	102 Å²	102	70.9 Å²	70.9	55%	0.545	38%	0.378	S	S	.	.			trans	-94.3	155.5	175.5	-65.2	-40.2	0	0	0	110.4	G561 D562	N559-G561 PolarHBondContact O-N 3.4Å; N559-D562 PolarHBondContact N-OD2 3.12Å; N559-D562 PolarHBondContact O-N 3.4Å; N559-D562 VanDerWaalsContact O-N 3.09Å
560	D	71.3	Confident	79.2	Confident	135 Å²	135	73.6 Å²	73.6	72%	0.722	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.3	-177.8	-71.4	-44.1	0	0	0	114.3	K350	K350-D560 IonicContact NZ-OD1 2.85Å; K350-D560 PolarHBondContact NZ-OD1 3.19Å
561	G	63.9	Low	78.1	Confident	69 Å²	69	75.5 Å²	75.5	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.5	177	0	0	0	0	0	116	N559 D563	N559-G561 PolarHBondContact O-N 3.4Å; G561-D563 VanDerWaalsContact C-N 3.28Å; G561-D563 PolarHBondContact O-N 3.07Å
562	D	63.1	Low	76.8	Confident	33 Å²	33	80.9 Å²	80.9	18%	0.176	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.7	-174.4	-66.2	-37.4	0	0	0	113.8	R383 H387 L558 N559	R383-D562 PolarHBondContact NH2-O 3.41Å; H387-D562 IonicContact CE1-OD1 3.42Å; H387-D562 IonicContact CE1-OD2 3.46Å; H387-D562 IonicContact NE2-OD1 3.39Å; H387-D562 IonicContact NE2-OD2 2.68Å; L558-D562 HydrophobicContact CD1-CB 3.7Å; L558-D562 HydrophobicContact CG-CB 4.23Å; N559-D562 PolarHBondContact N-OD2 3.12Å; N559-D562 PolarHBondContact O-N 3.4Å; N559-D562 VanDerWaalsContact O-N 3.09Å
563	D	57.5	Low	75.4	Confident	53 Å²	53	85.5 Å²	85.5	28%	0.283	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.4	-175.7	-79.9	-37.6	0	0	0	114.7	K350 G561	K350-D563 VanDerWaalsContact CD-CG 3.45Å; K350-D563 WeakPolarHBondContact CD-OD1 3.18Å; K350-D563 WeakPolarHBondContact CD-OD2 3.39Å; K350-D563 WeakPolarHBondContact CE-OD2 3.32Å; K350-D563 IonicContact NZ-OD1 3.27Å; K350-D563 IonicContact NZ-OD2 3.26Å; K350-D563 PolarHBondContact NZ-OD2 3.18Å; G561-D563 VanDerWaalsContact C-N 3.28Å; G561-D563 PolarHBondContact O-N 3.07Å
564	D	49.5	Very low	74.1	Confident	156 Å²	156	89.3 Å²	89.3	83%	0.834	48%	0.478	S	S	*	.			trans	-103.5	10.7	-159.1	-79.7	-26.3	0	0	0	116.6
565	K	41.7	Very low	72.6	Confident	233 Å²	233	94.5 Å²	94.5	100%	1.013	50%	0.503	S	S	*	.			trans	-111.8	0	178	-73.3	-170.8	-177.6	176.3	0	114.4	R383	R383-K565 PolarHBondContact NH2-O 3.44Å; R383-K565 VanDerWaalsContact NH2-O 3.07Å

Retrieved 565 of 565 residues in 153 ms (Link to these results)

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