A0A077Z298_TRITR Loading...

Sec7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z298, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 477 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	32.5	Very low	246 Å²	246	143.9 Å²	143.9	100%	1.212	86%	0.859	S	S	*	*				0	71.1	0	-163.8	179.3	-162.5	0	0	108.9
2	V	34.1	Very low	32.8	Very low	148 Å²	148	143.8 Å²	143.8	90%	0.897	86%	0.859	S	S	*	*			trans	-158.7	113.1	146.6	174.3	0	0	0	0	102.5
3	A	27.6	Very low	32.9	Very low	86 Å²	86	142 Å²	142	71%	0.711	85%	0.85	S	S	*	*			trans	-104	152.3	178.9	0	0	0	0	0	108.8
4	L	34.8	Very low	33	Very low	176 Å²	176	137.9 Å²	137.9	92%	0.921	84%	0.839	S	S	*	*			trans	170.3	136.3	153.9	-91	154.3	0	0	0	106
5	A	35.2	Very low	33.2	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	84%	0.839	S	S	*	*			cis	-162.4	147.8	-23.5	0	0	0	0	0	105
6	K	28.8	Very low	33.4	Very low	191 Å²	191	139.4 Å²	139.4	83%	0.83	84%	0.841	S	S	*	*			trans	-77.4	153.3	174.3	-67.2	174.3	171.3	-178.7	0	110.7
7	T	35.4	Very low	33.5	Very low	147 Å²	147	137.5 Å²	137.5	90%	0.902	84%	0.836	S	S	*	*			trans	-156.9	114.5	134.9	38.5	0	0	0	0	110.4
8	D	30.1	Very low	33.8	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	83%	0.828	S	S	*	*			trans	-80.3	148.8	159.8	-76	-51.3	0	0	0	109.7
9	S	36.2	Very low	34	Very low	123 Å²	123	136.7 Å²	136.7	86%	0.86	83%	0.832	S	S	*	*			trans	-156.8	128.2	148.5	63	0	0	0	0	111.5
10	S	32.7	Very low	34.1	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	84%	0.837	S	S	*	*			trans	-79.5	150.1	-177	44.6	0	0	0	0	115.1
11	S	29.3	Very low	34.4	Very low	105 Å²	105	144.7 Å²	144.7	73%	0.734	84%	0.84	S	S	*	*			trans	31.4	118.6	143.6	65.8	0	0	0	0	121
12	V	35.9	Very low	34.7	Very low	143 Å²	143	144.4 Å²	144.4	87%	0.867	83%	0.825	S	S	*	*			trans	-145.3	147.1	140	-176.3	0	0	0	0	109.6
13	T	34.6	Very low	34.9	Very low	120 Å²	120	145.9 Å²	145.9	74%	0.736	83%	0.827	S	S	*	*			trans	-67.3	151.2	-169	48.9	0	0	0	0	118.3
14	A	34.7	Very low	35.3	Very low	85 Å²	85	146.5 Å²	146.5	70%	0.702	83%	0.832	S	S	*	*				54.8	143.6	129.8	0	0	0	0	0	122.2
15	T	35.9	Very low	35.3	Very low	135 Å²	135	143.7 Å²	143.7	83%	0.828	83%	0.828	S	S	*	*			trans	67.4	96.7	161.6	65.4	0	0	0	0	117.4
16	D	35.5	Very low	35.4	Very low	164 Å²	164	143.8 Å²	143.8	88%	0.877	83%	0.828	S	S	*	*				-151.1	128.6	117.8	-163.3	17	0	0	0	110.7
17	S	35	Very low	35.7	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	83%	0.827	S	S	*	*			trans	-116.2	116.1	-172.6	45.2	0	0	0	0	106.1
18	G	38.8	Very low	35.8	Very low	67 Å²	67	143.3 Å²	143.3	69%	0.691	83%	0.828	S	S	*	*			trans	-177.3	-40.8	175.3	0	0	0	0	0	118.7
19	E	38.4	Very low	36.1	Very low	193 Å²	193	140.2 Å²	140.2	90%	0.902	82%	0.819	S	S	*	*	S	Bend	trans	-122.1	7.3	-152.8	-73.2	-165.9	130.4	0	0	118.5
20	R	36.2	Very low	35.9	Very low	249 Å²	249	142.2 Å²	142.2	94%	0.94	82%	0.82	S	S	*	*	S	Bend	trans	-117.1	16.4	-179.1	-68.6	-171.1	177.4	-160.9	0.2	116.3
21	Q	39.6	Very low	35.9	Very low	191 Å²	191	140.7 Å²	140.7	89%	0.893	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	26.4	-176.5	-131.1	167.4	6.5	0	0	115.2
22	R	38.9	Very low	36.2	Very low	240 Å²	240	143.5 Å²	143.5	91%	0.906	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	9.5	-178.7	-85.4	-171.9	175.8	176.3	0.3	117.4
23	L	38.4	Very low	36.3	Very low	180 Å²	180	145.3 Å²	145.3	94%	0.942	82%	0.821	S	S	*	*	S	Bend	trans	-128.4	18	179.2	-85.1	156.4	0	0	0	114.8
24	A	37.3	Very low	36.7	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	82%	0.821	S	S	*	*	S	Bend	trans	-126.1	59.8	179	0	0	0	0	0	111.9
25	S	34.4	Very low	37.1	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	81%	0.807	S	S	*	*			trans	-165.5	76.3	164.3	61.6	0	0	0	0	111.6
26	A	36.8	Very low	37.3	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	81%	0.805	S	S	*	*			trans	-158.3	139.1	155.3	0	0	0	0	0	108.9
27	V	35.4	Very low	38.5	Very low	135 Å²	135	143 Å²	143	82%	0.818	79%	0.788	S	S	*	*			trans	86.2	65.9	172.7	-156.1	0	0	0	0	115.6
28	Q	36.9	Very low	40	Very low	194 Å²	194	141.8 Å²	141.8	91%	0.907	78%	0.78	S	S	*	*			trans	-80.3	113.1	135.1	-77	173.8	-2.6	0	0	107.8
29	S	37	Very low	41.6	Very low	96 Å²	96	141.7 Å²	141.7	67%	0.671	77%	0.768	S	S	*	*			trans	165	125.6	137.5	60	0	0	0	0	111.2
30	N	32.8	Very low	43.2	Very low	165 Å²	165	135.3 Å²	135.3	88%	0.882	75%	0.748	S	S	*	*	S	Bend	trans	77.7	103.2	160.2	-67.7	-6	0	0	0	120.4
31	G	32	Very low	44.5	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	73%	0.734	S	S	*	*			trans	87.9	76	137.8	0	0	0	0	0	117.9
32	H	34.8	Very low	45.8	Very low	164 Å²	164	127.4 Å²	127.4	76%	0.759	72%	0.719	S	S	*	*			trans	-156.4	66.6	170.4	-136.6	-100.1	0	0	0	114.4
33	E	38	Very low	48.1	Very low	181 Å²	181	120.1 Å²	120.1	85%	0.846	70%	0.698	S	S	*	*	S	Bend	trans	-109.9	-2.5	172.1	-118.7	-179.2	176.4	0	0	114.4
34	V	44.6	Very low	50.6	Low	123 Å²	123	116.5 Å²	116.5	75%	0.745	68%	0.676	S	S	*	*	S	Bend	trans	-96.9	-12.1	-172.3	-167.5	0	0	0	0	113.9	T37	V34-T37 PolarHBondContact O-OG1 3.43Å
35	G	41.8	Very low	53.2	Low	38 Å²	38	113.8 Å²	113.8	39%	0.392	65%	0.654	S	S	.	*	H	α-helix	trans	-79.6	-30.1	-173.8	0	0	0	0	0	116.1
36	W	40.7	Very low	56	Low	209 Å²	209	114.4 Å²	114.4	79%	0.792	64%	0.638	S	S	*	*	H	α-helix	trans	-76.4	-33.9	-172.5	-67	92.4	0	0	0	113.2	A40	W36-A40 WeakPolarHBondContact O-CB 3.46Å; W36-A40 PolarHBondContact O-N 2.68Å
37	T	61	Low	58.9	Low	86 Å²	86	117.3 Å²	117.3	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-70.4	-42.2	-178.4	55.5	0	0	0	0	111.7	V34 A40 M41	V34-T37 PolarHBondContact O-OG1 3.43Å; T37-A40 PolarHBondContact O-N 3.09Å; T37-M41 WeakPolarHBondContact O-CB 3.48Å; T37-M41 VanDerWaalsContact O-CG 3.26Å; T37-M41 WeakPolarHBondContact O-CG 3.34Å; T37-M41 PolarHBondContact O-N 3.12Å
38	S	67.1	Low	61.8	Low	82 Å²	82	116 Å²	116	57%	0.573	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-43.5	179.3	-175	0	0	0	0	112.3	M41 Y42	S38-M41 PolarHBondContact O-N 3.36Å; S38-Y42 WeakPolarHBondContact O-CB 3.44Å; S38-Y42 PolarHBondContact O-N 3.49Å
39	S	72.1	Confident	64.7	Low	65 Å²	65	108 Å²	108	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-65.4	-43.4	177.2	-174.4	0	0	0	0	112.2	M41 Y42 N43	S39-M41 PolarHBondContact O-N 2.94Å; S39-Y42 PolarHBondContact O-N 3.36Å; S39-N43 WeakPolarHBondContact O-CB 3.26Å; S39-N43 VanDerWaalsContact O-CG 3.22Å; S39-N43 PolarHBondContact O-N 3.43Å; S39-N43 PolarHBondContact O-ND2 3.4Å; S39-N43 VanDerWaalsContact O-ND2 3.12Å
40	A	71	Confident	67.5	Low	58 Å²	58	104.6 Å²	104.6	48%	0.479	55%	0.55	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.8	0	0	0	0	0	111.7	W36 T37 N43 E44	W36-A40 WeakPolarHBondContact O-CB 3.46Å; W36-A40 PolarHBondContact O-N 2.68Å; T37-A40 PolarHBondContact O-N 3.09Å; A40-N43 PolarHBondContact O-N 2.95Å; A40-E44 PolarHBondContact O-N 3.03Å
41	M	63.7	Low	70.6	Confident	131 Å²	131	99.5 Å²	99.5	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-42.6	176.6	-71.5	-178.3	76.1	0	0	112.3	T37 S38 S39 N43 E44 A45	T37-M41 WeakPolarHBondContact O-CB 3.48Å; T37-M41 VanDerWaalsContact O-CG 3.26Å; T37-M41 WeakPolarHBondContact O-CG 3.34Å; T37-M41 PolarHBondContact O-N 3.12Å; S38-M41 PolarHBondContact O-N 3.36Å; S39-M41 PolarHBondContact O-N 2.94Å; M41-N43 VanDerWaalsContact C-N 3.35Å; M41-N43 PolarHBondContact O-N 2.94Å; M41-E44 PolarHBondContact O-N 3.19Å; M41-A45 WeakPolarHBondContact O-CB 3.41Å; M41-A45 PolarHBondContact O-N 3.03Å
42	Y	67.7	Low	73.8	Confident	144 Å²	144	98.8 Å²	98.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-60.5	-44.3	175.9	177.8	-96.3	0	0	0	111.6	S38 S39 E44 A45 R46	S38-Y42 WeakPolarHBondContact O-CB 3.44Å; S38-Y42 PolarHBondContact O-N 3.49Å; S39-Y42 PolarHBondContact O-N 3.36Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.9Å; Y42-A45 PolarHBondContact O-N 3.49Å; Y42-R46 WeakPolarHBondContact O-CB 3.39Å; Y42-R46 PolarHBondContact O-N 2.9Å
43	N	86.5	Confident	76.8	Confident	87 Å²	87	91 Å²	91	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-37.2	176.8	-71.1	-30.3	0	0	0	111.9	S39 A40 M41 R47	S39-N43 WeakPolarHBondContact O-CB 3.26Å; S39-N43 VanDerWaalsContact O-CG 3.22Å; S39-N43 PolarHBondContact O-N 3.43Å; S39-N43 PolarHBondContact O-ND2 3.4Å; S39-N43 VanDerWaalsContact O-ND2 3.12Å; A40-N43 PolarHBondContact O-N 2.95Å; M41-N43 VanDerWaalsContact C-N 3.35Å; M41-N43 PolarHBondContact O-N 2.94Å; N43-R47 VanDerWaalsContact O-CB 3.25Å; N43-R47 WeakPolarHBondContact O-CB 3.25Å; N43-R47 PolarHBondContact O-N 2.77Å
44	E	90.4	Very high	79.7	Confident	103 Å²	103	82.4 Å²	82.4	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-44.6	175.9	-168.2	-175.3	170.1	0	0	112.1	A40 M41 Y42 R47 K48	A40-E44 PolarHBondContact O-N 3.03Å; M41-E44 PolarHBondContact O-N 3.19Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.9Å; E44-R47 PolarHBondContact O-N 2.94Å; E44-K48 HydrophobicContact CG-CD 4.34Å; E44-K48 WeakPolarHBondContact O-CB 3.45Å; E44-K48 WeakPolarHBondContact O-CG 3.5Å; E44-K48 PolarHBondContact O-N 3.01Å; E44-K48 WeakPolarHBondContact OE1-CE 3.18Å; E44-K48 IonicContact OE1-NZ 2.71Å; E44-K48 PolarHBondContact OE1-NZ 2.91Å
45	A	92.2	Very high	82.2	Confident	42 Å²	42	76.8 Å²	76.8	35%	0.347	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-48.1	176.8	0	0	0	0	0	111.1	M41 Y42 R47 K48 R49	M41-A45 WeakPolarHBondContact O-CB 3.41Å; M41-A45 PolarHBondContact O-N 3.03Å; Y42-A45 PolarHBondContact O-N 3.49Å; A45-R47 PolarHBondContact O-N 2.82Å; A45-K48 PolarHBondContact O-N 2.88Å; A45-R49 PolarHBondContact O-N 3.5Å
46	R	94.6	Very high	84.9	Confident	131 Å²	131	75.5 Å²	75.5	49%	0.494	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-44.5	175.6	-170.6	177.8	177.1	-165.1	-1.2	111.8	Y42 K48 R49 S50	Y42-R46 WeakPolarHBondContact O-CB 3.39Å; Y42-R46 PolarHBondContact O-N 2.9Å; R46-K48 VanDerWaalsContact C-N 3.35Å; R46-K48 PolarHBondContact O-N 2.78Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.3Å; R46-R49 VanDerWaalsContact O-N 3.12Å; R46-S50 PolarHBondContact O-N 3.49Å; R46-S50 PolarHBondContact O-OG 3.37Å; R46-S50 VanDerWaalsContact O-OG 3.09Å
47	R	96.1	Very high	87.6	Confident	154 Å²	154	65.8 Å²	65.8	58%	0.581	33%	0.33	S	S	*	.	H	α-helix	trans	-61.2	-42.1	176.9	-173.7	173.7	-172.9	141.8	4.5	112.1	N43 E44 A45 R49 S50 Y51 F74	N43-R47 VanDerWaalsContact O-CB 3.25Å; N43-R47 WeakPolarHBondContact O-CB 3.25Å; N43-R47 PolarHBondContact O-N 2.77Å; E44-R47 PolarHBondContact O-N 2.94Å; A45-R47 PolarHBondContact O-N 2.82Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-S50 PolarHBondContact O-N 3.29Å; R47-Y51 PolarHBondContact O-N 2.93Å; R47-F74 HydrophobicContact CG-CE1 3.95Å; R47-F74 HydrophobicContact CG-CZ 4.1Å; R47-F74 WeakPolarHBondContact O-CZ 3.38Å
48	K	96.8	Very high	89.4	Confident	109 Å²	109	61.7 Å²	61.7	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-38.7	174.1	-75.2	174.4	-178.2	165.1	0	111.4	E44 A45 R46 R52	E44-K48 HydrophobicContact CG-CD 4.34Å; E44-K48 WeakPolarHBondContact O-CB 3.45Å; E44-K48 WeakPolarHBondContact O-CG 3.5Å; E44-K48 PolarHBondContact O-N 3.01Å; E44-K48 WeakPolarHBondContact OE1-CE 3.18Å; E44-K48 IonicContact OE1-NZ 2.71Å; E44-K48 PolarHBondContact OE1-NZ 2.91Å; A45-K48 PolarHBondContact O-N 2.88Å; R46-K48 VanDerWaalsContact C-N 3.35Å; R46-K48 PolarHBondContact O-N 2.78Å; K48-R52 WeakPolarHBondContact O-CG 3.35Å; K48-R52 PolarHBondContact O-N 2.97Å; K48-R52 PolarHBondContact O-NH1 3.08Å
49	R	97.7	Very high	90.9	Very high	24 Å²	24	57.9 Å²	57.9	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-50.4	175.5	-168.9	-172.1	-59.4	145.2	1.1	111.8	A45 R46 R47 Y51 R52 V53 E369 L372 E373 E376	A45-R49 PolarHBondContact O-N 3.5Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.3Å; R46-R49 VanDerWaalsContact O-N 3.12Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R49-Y51 PolarHBondContact O-N 3.01Å; R49-R52 CarbonylContact O-C 3.26Å; R49-R52 WeakPolarHBondContact O-CA 3.38Å; R49-R52 PolarHBondContact O-N 3.41Å; R49-V53 HydrophobicContact CG-CG2 4.44Å; R49-V53 WeakPolarHBondContact O-CG2 3.45Å; R49-V53 PolarHBondContact O-N 3.47Å; R49-E369 WeakPolarHBondContact CB-OE1 3.22Å; R49-E369 IonicContact CZ-OE1 2.77Å; R49-E369 IonicContact CZ-OE2 3.21Å; R49-E369 IonicContact NE-OE1 3.79Å; R49-E369 PolarHBondContact NE-OE1 2.73Å; R49-E369 IonicContact NE-OE2 3.62Å; R49-E369 PolarHBondContact NE-OE2 3.04Å; R49-E369 IonicContact NH2-OE1 3.01Å; R49-E369 IonicContact NH2-OE2 3.93Å; R49-E369 PolarHBondContact NH2-OE2 3.07Å; R49-L372 VanDerWaalsContact NH2-CD1 3.26Å; R49-E373 HydrophobicContact CG-CB 4.04Å; R49-E376 VanDerWaalsContact CD-CD 3.47Å; R49-E376 WeakPolarHBondContact CD-OE1 3.39Å; R49-E376 IonicContact CZ-OE1 3.44Å; R49-E376 IonicContact NH1-OE1 3.79Å; R49-E376 PolarHBondContact NH1-OE1 3.25Å
50	S	96.9	Very high	92.1	Very high	26 Å²	26	58.2 Å²	58.2	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-38.9	177.6	-52.7	0	0	0	0	111.8	R46 R47 R52 V53 A54 W72	R46-S50 PolarHBondContact O-N 3.49Å; R46-S50 PolarHBondContact O-OG 3.37Å; R46-S50 VanDerWaalsContact O-OG 3.09Å; R47-S50 PolarHBondContact O-N 3.29Å; S50-R52 PolarHBondContact O-N 3.01Å; S50-V53 PolarHBondContact O-N 3.12Å; S50-A54 PolarHBondContact O-N 2.97Å; S50-W72 VanDerWaalsContact O-CZ3 3.3Å; S50-W72 WeakPolarHBondContact O-CZ3 3.24Å
51	Y	98.1	Very high	93.3	Very high	58 Å²	58	58 Å²	58	23%	0.227	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-47.6	171.3	175.2	-99.9	0	0	0	112.3	R47 R49 A54 V55 L69 F74 F85	R47-Y51 PolarHBondContact O-N 2.93Å; R49-Y51 PolarHBondContact O-N 3.01Å; Y51-A54 PolarHBondContact O-N 2.96Å; Y51-V55 HydrophobicContact CD1-CG2 4.33Å; Y51-V55 HydrophobicContact CD2-CG2 4.49Å; Y51-V55 HydrophobicContact CE1-CG2 3.84Å; Y51-V55 HydrophobicContact CE2-CG2 4.03Å; Y51-V55 WeakPolarHBondContact O-CG2 3.22Å; Y51-V55 PolarHBondContact O-N 3Å; Y51-L69 HydrophobicContact CD2-CD2 4.04Å; Y51-L69 HydrophobicContact CE2-CD2 4.03Å; Y51-F74 HydrophobicContact CD2-CB 4.21Å; Y51-F74 AromaticContact CD2-CD1 3.76Å; Y51-F74 HydrophobicContact CD2-CD1 3.76Å; Y51-F74 HydrophobicContact CD2-CD2 4.31Å; Y51-F74 HydrophobicContact CD2-CE1 4.16Å; Y51-F74 AromaticContact CD2-CG 3.84Å; Y51-F74 HydrophobicContact CD2-CG 3.84Å; Y51-F74 HydrophobicContact CG-CD1 4.43Å; Y51-F74 HydrophobicContact CG-CE1 4.4Å; Y51-F85 AromaticContact CE2-CE2 4Å; Y51-F85 HydrophobicContact CE2-CE2 4Å; Y51-F85 HydrophobicContact CE2-CZ 4.41Å
52	R	98.4	Very high	94.9	Very high	59 Å²	59	52.1 Å²	52.1	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-38.1	178.9	-65.4	-172.5	-44.2	-89.7	-1.2	112.1	K48 R49 S50 V55 N56 E369 E373	K48-R52 WeakPolarHBondContact O-CG 3.35Å; K48-R52 PolarHBondContact O-N 2.97Å; K48-R52 PolarHBondContact O-NH1 3.08Å; R49-R52 CarbonylContact O-C 3.26Å; R49-R52 WeakPolarHBondContact O-CA 3.38Å; R49-R52 PolarHBondContact O-N 3.41Å; S50-R52 PolarHBondContact O-N 3.01Å; R52-V55 PolarHBondContact O-N 2.9Å; R52-N56 WeakPolarHBondContact O-CB 3.44Å; R52-N56 PolarHBondContact O-N 3.25Å; R52-N56 PolarHBondContact O-ND2 2.71Å; R52-N56 PolarHBondContact O-OD1 2.96Å; R52-E369 IonicContact CZ-OE1 3.78Å; R52-E369 IonicContact NH1-OE1 2.67Å; R52-E369 IonicContact NH2-OE1 3.56Å; R52-E369 PolarHBondContact NH2-OE1 2.92Å; R52-E373 HydrophobicContact CB-CG 4.5Å; R52-E373 IonicContact CZ-OE2 3.74Å; R52-E373 VanDerWaalsContact CZ-OE2 3.3Å; R52-E373 IonicContact NE-OE2 2.77Å; R52-E373 PolarHBondContact NE-OE2 3.01Å; R52-E373 IonicContact NH2-OE2 3.83Å; R52-E373 PolarHBondContact NH2-OE2 3.41Å
53	V	98.2	Very high	96.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-47.7	173.1	173.2	0	0	0	0	110.7	R49 S50 V55 N56 L57 W72 E373 E376 M377 L380	R49-V53 HydrophobicContact CG-CG2 4.44Å; R49-V53 WeakPolarHBondContact O-CG2 3.45Å; R49-V53 PolarHBondContact O-N 3.47Å; S50-V53 PolarHBondContact O-N 3.12Å; V53-V55 PolarHBondContact O-N 3.45Å; V53-N56 WeakPolarHBondContact O-CB 3.44Å; V53-N56 PolarHBondContact O-N 2.93Å; V53-L57 PolarHBondContact O-N 3.49Å; V53-W72 HydrophobicContact CG1-CH2 4.38Å; V53-W72 HydrophobicContact CG1-CZ3 4.5Å; V53-E373 HydrophobicContact CG2-CG 4.11Å; V53-E376 HydrophobicContact CG2-CB 3.92Å; V53-M377 HydrophobicContact CG1-CB 4.37Å; V53-M377 HydrophobicContact CG1-SD 3.92Å; V53-L380 HydrophobicContact CG1-CD2 3.84Å
54	A	97.9	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-39.1	178.3	0	0	0	0	0	112.6	S50 Y51 L57 F58 F68 L69 W72	S50-A54 PolarHBondContact O-N 2.97Å; Y51-A54 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 3.37Å; A54-F58 PolarHBondContact O-N 3.15Å; A54-F68 HydrophobicContact CB-CB 4.29Å; A54-L69 HydrophobicContact CB-CD2 3.71Å; A54-L69 HydrophobicContact CB-CG 3.78Å; A54-W72 HydrophobicContact CB-CE3 3.86Å; A54-W72 HydrophobicContact CB-CZ3 3.79Å
55	V	98.5	Very high	97	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-40.1	172.6	169.4	0	0	0	0	111.7	Y51 R52 V53 L57 F58 N59 L69 G91 L92	Y51-V55 HydrophobicContact CD1-CG2 4.33Å; Y51-V55 HydrophobicContact CD2-CG2 4.49Å; Y51-V55 HydrophobicContact CE1-CG2 3.84Å; Y51-V55 HydrophobicContact CE2-CG2 4.03Å; Y51-V55 WeakPolarHBondContact O-CG2 3.22Å; Y51-V55 PolarHBondContact O-N 3Å; R52-V55 PolarHBondContact O-N 2.9Å; V53-V55 PolarHBondContact O-N 3.45Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.01Å; V55-F58 WeakPolarHBondContact O-CB 3.32Å; V55-F58 PolarHBondContact O-N 3.1Å; V55-N59 VanDerWaalsContact O-CG 3.29Å; V55-N59 PolarHBondContact O-N 3.49Å; V55-N59 PolarHBondContact O-ND2 3.2Å; V55-L69 HydrophobicContact CG2-CD2 4.3Å; V55-G91 WeakPolarHBondContact CG1-O 3.25Å; V55-L92 HydrophobicContact CG1-CD2 4.15Å; V55-L92 HydrophobicContact CG2-CD2 4.47Å
56	N	98.1	Very high	97.3	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.9	-69.9	-13.2	0	0	0	110.7	R52 V53 N59 K60 N296 E373 M377	R52-N56 WeakPolarHBondContact O-CB 3.44Å; R52-N56 PolarHBondContact O-N 3.25Å; R52-N56 PolarHBondContact O-ND2 2.71Å; R52-N56 PolarHBondContact O-OD1 2.96Å; V53-N56 WeakPolarHBondContact O-CB 3.44Å; V53-N56 PolarHBondContact O-N 2.93Å; N56-N59 PolarHBondContact O-N 3.4Å; N56-K60 PolarHBondContact O-N 3.48Å; N56-N296 PolarHBondContact ND2-ND2 3.05Å; N56-N296 PolarHBondContact OD1-ND2 3.32Å; N56-E373 PolarHBondContact ND2-OE1 2.99Å; N56-M377 HydrophobicContact CB-CE 4.48Å; N56-M377 HydrophobicContact CB-SD 3.97Å
57	L	97.9	Very high	97.4	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-43.5	173.7	-175.5	61.1	0	0	0	111.4	V53 A54 V55 N59 K60 N61 R64 F68 M377 L380 L384	V53-L57 PolarHBondContact O-N 3.49Å; A54-L57 PolarHBondContact O-N 3.37Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.01Å; L57-N59 VanDerWaalsContact C-N 3.25Å; L57-N59 PolarHBondContact O-N 3.02Å; L57-K60 CarbonylContact O-C 3.42Å; L57-K60 PolarHBondContact O-N 3.15Å; L57-N61 CarbonylContact O-C 3.51Å; L57-N61 PolarHBondContact O-N 3.36Å; L57-N61 VanDerWaalsContact O-O 3.07Å; L57-R64 HydrophobicContact CD2-CB 4.2Å; L57-R64 HydrophobicContact CG-CB 4.4Å; L57-F68 HydrophobicContact CD2-CD2 3.37Å; L57-F68 HydrophobicContact CD2-CE2 3.84Å; L57-F68 HydrophobicContact CD2-CG 4.15Å; L57-M377 HydrophobicContact CB-CE 3.88Å; L57-M377 HydrophobicContact CB-SD 4.31Å; L57-M377 HydrophobicContact CD1-CE 3.92Å; L57-L380 HydrophobicContact CD2-CD2 3.88Å; L57-L384 HydrophobicContact CD1-CD1 4.14Å; L57-L384 HydrophobicContact CD2-CD1 3.98Å
58	F	98.5	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-42.7	174.3	177.5	-83.3	0	0	0	111.3	A54 V55 K60 N61 P62 L66 L86 L92 K96 I97 Y100	A54-F58 PolarHBondContact O-N 3.15Å; V55-F58 WeakPolarHBondContact O-CB 3.32Å; V55-F58 PolarHBondContact O-N 3.1Å; F58-K60 PolarHBondContact O-N 3.32Å; F58-N61 CarbonylContact O-C 3.57Å; F58-P62 HydrophobicContact CD2-CB 4.05Å; F58-P62 VanDerWaalsContact CD2-O 3.29Å; F58-P62 WeakPolarHBondContact CD2-O 3.49Å; F58-P62 HydrophobicContact CE1-CB 4.47Å; F58-P62 HydrophobicContact CE2-CB 3.74Å; F58-P62 HydrophobicContact CZ-CB 3.97Å; F58-P62 VanDerWaalsContact O-CA 3.29Å; F58-P62 WeakPolarHBondContact O-CA 3.46Å; F58-P62 WeakPolarHBondContact O-CG 3.38Å; F58-P62 VanDerWaalsContact O-N 3.15Å; F58-L66 HydrophobicContact CD2-CB 4.27Å; F58-L86 HydrophobicContact CE1-CD2 4.39Å; F58-L86 HydrophobicContact CE2-CD2 3.73Å; F58-L86 HydrophobicContact CZ-CD2 3.54Å; F58-L92 HydrophobicContact CB-CD2 4.33Å; F58-L92 HydrophobicContact CD1-CD2 3.41Å; F58-L92 VanDerWaalsContact CD1-CD2 3.41Å; F58-L92 HydrophobicContact CE1-CD2 3.82Å; F58-L92 HydrophobicContact CG-CD2 3.84Å; F58-K96 HydrophobicContact CD1-CB 4.4Å; F58-K96 HydrophobicContact CE1-CB 3.98Å; F58-I97 HydrophobicContact CE1-CG1 4.07Å; F58-I97 HydrophobicContact CZ-CG1 4.21Å; F58-Y100 HydrophobicContact CE2-CG 4.48Å
59	N	98.5	Very high	97.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-13.7	179	-69.1	-31.3	0	0	0	113.7	V55 N56 L57 G91 S93 K96 P263 H264	V55-N59 VanDerWaalsContact O-CG 3.29Å; V55-N59 PolarHBondContact O-N 3.49Å; V55-N59 PolarHBondContact O-ND2 3.2Å; N56-N59 PolarHBondContact O-N 3.4Å; L57-N59 VanDerWaalsContact C-N 3.25Å; L57-N59 PolarHBondContact O-N 3.02Å; N59-G91 PolarHBondContact ND2-O 3.3Å; N59-S93 WeakPolarHBondContact OD1-CB 3.2Å; N59-S93 PolarHBondContact OD1-N 2.95Å; N59-K96 WeakPolarHBondContact O-CD 3.33Å; N59-K96 WeakPolarHBondContact O-CE 3.45Å; N59-K96 WeakPolarHBondContact O-CG 3.43Å; N59-P263 WeakPolarHBondContact O-CB 3.35Å; N59-H264 HydrophobicContact CB-CB 3.7Å
60	K	97.4	Very high	97.5	Very high	73 Å²	73	29.4 Å²	29.4	32%	0.317	14%	0.135	S	C	.	.	H	α-helix	trans	-96.2	-53.4	170.5	-70.1	-173.3	179.6	-166.1	0	111.5	N56 L57 F58 H264 M377 E381	N56-K60 PolarHBondContact O-N 3.48Å; L57-K60 CarbonylContact O-C 3.42Å; L57-K60 PolarHBondContact O-N 3.15Å; F58-K60 PolarHBondContact O-N 3.32Å; K60-H264 VanDerWaalsContact CE-CD2 3.44Å; K60-H264 WeakPolarHBondContact CE-CD2 3.46Å; K60-H264 WeakPolarHBondContact CE-NE2 3.37Å; K60-H264 HydrophobicContact CG-CB 3.79Å; K60-H264 WeakPolarHBondContact CG-ND1 3.48Å; K60-M377 HydrophobicContact CD-CE 3.89Å; K60-E381 WeakPolarHBondContact CD-OE1 3.48Å; K60-E381 VanDerWaalsContact CE-OE1 3.3Å; K60-E381 WeakPolarHBondContact CE-OE1 3.17Å; K60-E381 VanDerWaalsContact NZ-CD 3.3Å; K60-E381 IonicContact NZ-OE1 2.97Å; K60-E381 PolarHBondContact NZ-OE1 3.38Å; K60-E381 IonicContact NZ-OE2 2.7Å; K60-E381 PolarHBondContact NZ-OE2 3Å; K60-E381 VanDerWaalsContact NZ-OE2 3.15Å
61	N	96.5	Very high	97.5	Very high	54 Å²	54	33 Å²	33	29%	0.289	15%	0.152	S	C	.	.			trans	-133.5	98.8	-179.8	-177.1	-45.1	0	0	0	108.6	L57 F58 E63 R64 G65	L57-N61 CarbonylContact O-C 3.51Å; L57-N61 PolarHBondContact O-N 3.36Å; L57-N61 VanDerWaalsContact O-O 3.07Å; F58-N61 CarbonylContact O-C 3.57Å; N61-E63 VanDerWaalsContact C-N 3.35Å; N61-E63 PolarHBondContact O-N 3.02Å; N61-E63 PolarHBondContact OD1-N 2.99Å; N61-E63 PolarHBondContact OD1-OE2 3.2Å; N61-R64 HydrophobicContact CB-CB 4.34Å; N61-R64 PolarHBondContact O-N 3.15Å; N61-R64 PolarHBondContact OD1-N 3.41Å; N61-G65 PolarHBondContact O-N 3.44Å
62	P	97.2	Very high	97.4	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.045	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-41.6	-173.9	-27.5	36	0	0	0	114.2	F58 G65 L66 K96 Y100	F58-P62 HydrophobicContact CD2-CB 4.05Å; F58-P62 VanDerWaalsContact CD2-O 3.29Å; F58-P62 WeakPolarHBondContact CD2-O 3.49Å; F58-P62 HydrophobicContact CE1-CB 4.47Å; F58-P62 HydrophobicContact CE2-CB 3.74Å; F58-P62 HydrophobicContact CZ-CB 3.97Å; F58-P62 VanDerWaalsContact O-CA 3.29Å; F58-P62 WeakPolarHBondContact O-CA 3.46Å; F58-P62 WeakPolarHBondContact O-CG 3.38Å; F58-P62 VanDerWaalsContact O-N 3.15Å; P62-G65 PolarHBondContact O-N 3.23Å; P62-L66 WeakPolarHBondContact O-CB 3.34Å; P62-L66 PolarHBondContact O-N 3.02Å; P62-K96 HydrophobicContact CG-CB 4.13Å; P62-K96 HydrophobicContact CG-CD 3.88Å; P62-Y100 HydrophobicContact CB-CD2 3.76Å; P62-Y100 HydrophobicContact CB-CG 4.07Å
63	E	95.9	Very high	97.3	Very high	72 Å²	72	34.3 Å²	34.3	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-52.3	-178.9	-65.2	81.1	178.4	0	0	110.9	N61 L66 Q67 Y100 N103	N61-E63 VanDerWaalsContact C-N 3.35Å; N61-E63 PolarHBondContact O-N 3.02Å; N61-E63 PolarHBondContact OD1-N 2.99Å; N61-E63 PolarHBondContact OD1-OE2 3.2Å; E63-L66 PolarHBondContact O-N 3.02Å; E63-Q67 PolarHBondContact O-N 2.84Å; E63-Y100 HydrophobicContact CG-CD2 4.33Å; E63-Y100 HydrophobicContact CG-CE2 4.32Å; E63-N103 PolarHBondContact OE1-ND2 3.3Å
64	R	95.1	Very high	97.2	Very high	78 Å²	78	36.8 Å²	36.8	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-44.4	178.2	-69	-172.4	-178.2	174	2.2	111.9	L57 N61 L66 Q67 F68 D388	L57-R64 HydrophobicContact CD2-CB 4.2Å; L57-R64 HydrophobicContact CG-CB 4.4Å; N61-R64 HydrophobicContact CB-CB 4.34Å; N61-R64 PolarHBondContact O-N 3.15Å; N61-R64 PolarHBondContact OD1-N 3.41Å; R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 3.46Å; R64-Q67 WeakPolarHBondContact O-CB 3.37Å; R64-Q67 PolarHBondContact O-N 2.88Å; R64-Q67 VanDerWaalsContact O-N 3.15Å; R64-F68 WeakPolarHBondContact O-CD2 3.43Å; R64-F68 PolarHBondContact O-N 3.36Å; R64-D388 IonicContact CZ-OD1 2.8Å; R64-D388 IonicContact CZ-OD2 2.78Å; R64-D388 IonicContact NH1-OD1 3.23Å; R64-D388 IonicContact NH1-OD2 2.89Å; R64-D388 PolarHBondContact NH1-OD2 3.33Å; R64-D388 IonicContact NH2-OD1 3.26Å; R64-D388 PolarHBondContact NH2-OD1 3.1Å; R64-D388 IonicContact NH2-OD2 2.72Å; R64-D388 PolarHBondContact NH2-OD2 3.04Å
65	G	97.5	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-39.8	179.9	0	0	0	0	0	112.7	N61 P62 F68 L69	N61-G65 PolarHBondContact O-N 3.44Å; P62-G65 PolarHBondContact O-N 3.23Å; G65-F68 PolarHBondContact O-N 2.78Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.33Å; G65-L69 PolarHBondContact O-N 3.46Å
66	L	97.9	Very high	97.2	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-40.5	174.6	-174.6	66.4	0	0	0	111.9	F58 P62 E63 R64 F68 L69 I70 V82 Y100 F108	F58-L66 HydrophobicContact CD2-CB 4.27Å; P62-L66 WeakPolarHBondContact O-CB 3.34Å; P62-L66 PolarHBondContact O-N 3.02Å; E63-L66 PolarHBondContact O-N 3.02Å; R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 3.46Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 2.89Å; L66-L69 HydrophobicContact CD1-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 2.96Å; L66-L69 VanDerWaalsContact O-N 3.16Å; L66-I70 HydrophobicContact CD1-CD1 4.48Å; L66-I70 HydrophobicContact CD2-CD1 4.45Å; L66-I70 HydrophobicContact CG-CD1 3.97Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 3.49Å; L66-V82 HydrophobicContact CD1-CG1 4.02Å; L66-V82 HydrophobicContact CD1-CG2 4.27Å; L66-V82 HydrophobicContact CD2-CG1 3.66Å; L66-V82 HydrophobicContact CD2-CG2 4.2Å; L66-Y100 HydrophobicContact CD2-CE1 4Å; L66-Y100 HydrophobicContact CD2-CE2 4.01Å; L66-Y100 VanDerWaalsContact CD2-CZ 3.42Å; L66-Y100 WeakPolarHBondContact CD2-OH 3.05Å; L66-F108 HydrophobicContact CD2-CE1 4.39Å
67	Q	96.6	Very high	97.1	Very high	96 Å²	96	44.4 Å²	44.4	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-47.1	174.9	-171.4	62	53.5	0	0	111.1	E63 R64 L69 I70 D71	E63-Q67 PolarHBondContact O-N 2.84Å; R64-Q67 WeakPolarHBondContact O-CB 3.37Å; R64-Q67 PolarHBondContact O-N 2.88Å; R64-Q67 VanDerWaalsContact O-N 3.15Å; Q67-L69 PolarHBondContact O-N 3.26Å; Q67-I70 WeakPolarHBondContact O-CB 3.42Å; Q67-I70 PolarHBondContact O-N 2.86Å; Q67-I70 VanDerWaalsContact O-N 3.12Å; Q67-D71 PolarHBondContact NE2-OD1 2.88Å; Q67-D71 PolarHBondContact NE2-OD2 2.98Å; Q67-D71 WeakPolarHBondContact O-CB 3.38Å; Q67-D71 PolarHBondContact O-N 3.46Å
68	F	97.1	Very high	97.1	Very high	37 Å²	37	46.8 Å²	46.8	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-37.7	175.7	-83.7	-79.3	0	0	0	113.4	A54 L57 R64 G65 L66 I70 D71 W72 L380 L384	A54-F68 HydrophobicContact CB-CB 4.29Å; L57-F68 HydrophobicContact CD2-CD2 3.37Å; L57-F68 HydrophobicContact CD2-CE2 3.84Å; L57-F68 HydrophobicContact CD2-CG 4.15Å; R64-F68 WeakPolarHBondContact O-CD2 3.43Å; R64-F68 PolarHBondContact O-N 3.36Å; G65-F68 PolarHBondContact O-N 2.78Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 2.89Å; F68-I70 PolarHBondContact O-N 2.92Å; F68-D71 PolarHBondContact O-N 2.94Å; F68-W72 HydrophobicContact CB-CD2 4.48Å; F68-W72 HydrophobicContact CB-CE3 4.46Å; F68-W72 HydrophobicContact CD1-CD2 4.16Å; F68-W72 AromaticContact CD1-CE2 3.45Å; F68-W72 VanDerWaalsContact CD1-CE2 3.45Å; F68-W72 AromaticContact CD1-CH2 3.92Å; F68-W72 HydrophobicContact CD1-CH2 3.92Å; F68-W72 AromaticContact CD1-CZ2 3.33Å; F68-W72 HydrophobicContact CD1-CZ2 3.33Å; F68-W72 AromaticContact CD1-NE1 3.71Å; F68-W72 AromaticContact CE1-CZ2 3.76Å; F68-W72 HydrophobicContact CE1-CZ2 3.76Å; F68-W72 HydrophobicContact CG-CZ2 4.34Å; F68-W72 VanDerWaalsContact O-CB 3.24Å; F68-W72 WeakPolarHBondContact O-CB 3.29Å; F68-W72 VanDerWaalsContact O-CG 3.28Å; F68-W72 PolarHBondContact O-N 3.2Å; F68-L380 HydrophobicContact CD1-CD1 4.4Å; F68-L380 HydrophobicContact CE1-CD1 3.64Å; F68-L380 HydrophobicContact CE2-CD1 4.26Å; F68-L380 HydrophobicContact CZ-CD1 3.56Å; F68-L380 HydrophobicContact CZ-CG 4.41Å; F68-L384 HydrophobicContact CE2-CD1 4.08Å; F68-L384 HydrophobicContact CE2-CD2 3.99Å; F68-L384 HydrophobicContact CE2-CG 4.43Å; F68-L384 HydrophobicContact CZ-CD2 4.26Å
69	L	98	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-34.7	173.6	-75.4	163.3	0	0	0	111.9	Y51 A54 V55 G65 L66 Q67 F74 V75 F85	Y51-L69 HydrophobicContact CD2-CD2 4.04Å; Y51-L69 HydrophobicContact CE2-CD2 4.03Å; A54-L69 HydrophobicContact CB-CD2 3.71Å; A54-L69 HydrophobicContact CB-CG 3.78Å; V55-L69 HydrophobicContact CG2-CD2 4.3Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.33Å; G65-L69 PolarHBondContact O-N 3.46Å; L66-L69 HydrophobicContact CD1-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 2.96Å; L66-L69 VanDerWaalsContact O-N 3.16Å; Q67-L69 PolarHBondContact O-N 3.26Å; L69-F74 HydrophobicContact CD2-CB 3.97Å; L69-F74 HydrophobicContact CD2-CD2 4.22Å; L69-F74 HydrophobicContact CD2-CG 4.38Å; L69-F74 WeakPolarHBondContact O-CA 3.37Å; L69-F74 WeakPolarHBondContact O-CB 3.37Å; L69-F74 PolarHBondContact O-N 3.09Å; L69-V75 HydrophobicContact CB-CB 4.47Å; L69-V75 HydrophobicContact CB-CG2 4.01Å; L69-V75 PolarHBondContact O-N 2.86Å; L69-F85 HydrophobicContact CD1-CE1 3.55Å; L69-F85 HydrophobicContact CD1-CZ 3.51Å; L69-F85 HydrophobicContact CD2-CZ 4.05Å; L69-F85 HydrophobicContact CG-CZ 4.38Å
70	I	97.4	Very high	97	Very high	30 Å²	30	50.8 Å²	50.8	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-53.7	175.4	-71.4	163.6	0	0	0	110.7	L66 Q67 F68 W72 G73 V75 P77	L66-I70 HydrophobicContact CD1-CD1 4.48Å; L66-I70 HydrophobicContact CD2-CD1 4.45Å; L66-I70 HydrophobicContact CG-CD1 3.97Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 3.49Å; Q67-I70 WeakPolarHBondContact O-CB 3.42Å; Q67-I70 PolarHBondContact O-N 2.86Å; Q67-I70 VanDerWaalsContact O-N 3.12Å; F68-I70 PolarHBondContact O-N 2.92Å; I70-W72 PolarHBondContact O-N 2.92Å; I70-G73 WeakPolarHBondContact O-CA 3.48Å; I70-G73 PolarHBondContact O-N 3.25Å; I70-V75 WeakPolarHBondContact CA-O 3.4Å; I70-V75 HydrophobicContact CG1-CB 4.29Å; I70-P77 HydrophobicContact CD1-CB 4.01Å; I70-P77 HydrophobicContact CG1-CB 4.27Å; I70-P77 HydrophobicContact CG2-CB 3.77Å; I70-P77 HydrophobicContact CG2-CG 4.12Å
71	D	96.5	Very high	97.1	Very high	100 Å²	100	49.3 Å²	49.3	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-33.5	-175	-66.4	-14.8	0	0	0	112	Q67 F68 G73	Q67-D71 PolarHBondContact NE2-OD1 2.88Å; Q67-D71 PolarHBondContact NE2-OD2 2.98Å; Q67-D71 WeakPolarHBondContact O-CB 3.38Å; Q67-D71 PolarHBondContact O-N 3.46Å; F68-D71 PolarHBondContact O-N 2.94Å; D71-G73 VanDerWaalsContact C-N 3.26Å; D71-G73 PolarHBondContact O-N 3.39Å
72	W	96.5	Very high	97.2	Very high	93 Å²	93	46.8 Å²	46.8	35%	0.352	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.6	176.1	-61.1	-11.8	0	0	0	113.6	S50 V53 A54 F68 I70 F74 L380	S50-W72 VanDerWaalsContact O-CZ3 3.3Å; S50-W72 WeakPolarHBondContact O-CZ3 3.24Å; V53-W72 HydrophobicContact CG1-CH2 4.38Å; V53-W72 HydrophobicContact CG1-CZ3 4.5Å; A54-W72 HydrophobicContact CB-CE3 3.86Å; A54-W72 HydrophobicContact CB-CZ3 3.79Å; F68-W72 HydrophobicContact CB-CD2 4.48Å; F68-W72 HydrophobicContact CB-CE3 4.46Å; F68-W72 HydrophobicContact CD1-CD2 4.16Å; F68-W72 AromaticContact CD1-CE2 3.45Å; F68-W72 VanDerWaalsContact CD1-CE2 3.45Å; F68-W72 AromaticContact CD1-CH2 3.92Å; F68-W72 HydrophobicContact CD1-CH2 3.92Å; F68-W72 AromaticContact CD1-CZ2 3.33Å; F68-W72 HydrophobicContact CD1-CZ2 3.33Å; F68-W72 AromaticContact CD1-NE1 3.71Å; F68-W72 AromaticContact CE1-CZ2 3.76Å; F68-W72 HydrophobicContact CE1-CZ2 3.76Å; F68-W72 HydrophobicContact CG-CZ2 4.34Å; F68-W72 VanDerWaalsContact O-CB 3.24Å; F68-W72 WeakPolarHBondContact O-CB 3.29Å; F68-W72 VanDerWaalsContact O-CG 3.28Å; F68-W72 PolarHBondContact O-N 3.2Å; I70-W72 PolarHBondContact O-N 2.92Å; W72-F74 VanDerWaalsContact C-N 3.35Å; W72-F74 HydrophobicContact CB-CD2 3.73Å; W72-F74 HydrophobicContact CB-CE2 3.63Å; W72-F74 HydrophobicContact CE3-CE2 4.06Å; W72-F74 PolarHBondContact O-N 3.34Å; W72-L380 HydrophobicContact CH2-CD2 3.99Å
73	G	96.2	Very high	97.2	Very high	53 Å²	53	46.4 Å²	46.4	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	24.7	173.1	0	0	0	0	0	114.6	I70 D71	I70-G73 WeakPolarHBondContact O-CA 3.48Å; I70-G73 PolarHBondContact O-N 3.25Å; D71-G73 VanDerWaalsContact C-N 3.26Å; D71-G73 PolarHBondContact O-N 3.39Å
74	F	96.9	Very high	97.3	Very high	53 Å²	53	48.5 Å²	48.5	23%	0.232	26%	0.26	C	S	.	.	S	Bend	trans	-85.4	-25.9	173	-63.5	-66.5	0	0	0	112.6	R47 Y51 L69 W72	R47-F74 HydrophobicContact CG-CE1 3.95Å; R47-F74 HydrophobicContact CG-CZ 4.1Å; R47-F74 WeakPolarHBondContact O-CZ 3.38Å; Y51-F74 HydrophobicContact CD2-CB 4.21Å; Y51-F74 AromaticContact CD2-CD1 3.76Å; Y51-F74 HydrophobicContact CD2-CD1 3.76Å; Y51-F74 HydrophobicContact CD2-CD2 4.31Å; Y51-F74 HydrophobicContact CD2-CE1 4.16Å; Y51-F74 AromaticContact CD2-CG 3.84Å; Y51-F74 HydrophobicContact CD2-CG 3.84Å; Y51-F74 HydrophobicContact CG-CD1 4.43Å; Y51-F74 HydrophobicContact CG-CE1 4.4Å; L69-F74 HydrophobicContact CD2-CB 3.97Å; L69-F74 HydrophobicContact CD2-CD2 4.22Å; L69-F74 HydrophobicContact CD2-CG 4.38Å; L69-F74 WeakPolarHBondContact O-CA 3.37Å; L69-F74 WeakPolarHBondContact O-CB 3.37Å; L69-F74 PolarHBondContact O-N 3.09Å; W72-F74 VanDerWaalsContact C-N 3.35Å; W72-F74 HydrophobicContact CB-CD2 3.73Å; W72-F74 HydrophobicContact CB-CE2 3.63Å; W72-F74 HydrophobicContact CE3-CE2 4.06Å; W72-F74 PolarHBondContact O-N 3.34Å
75	V	97.5	Very high	97.5	Very high	10 Å²	10	45.4 Å²	45.4	6%	0.061	25%	0.248	C	C	.	.	S	Bend	trans	-137.1	132.1	-178.4	-177.3	0	0	0	0	110.2	L69 I70 V82 F85	L69-V75 HydrophobicContact CB-CB 4.47Å; L69-V75 HydrophobicContact CB-CG2 4.01Å; L69-V75 PolarHBondContact O-N 2.86Å; I70-V75 WeakPolarHBondContact CA-O 3.4Å; I70-V75 HydrophobicContact CG1-CB 4.29Å; V75-V82 HydrophobicContact CG1-CG2 3.88Å; V75-F85 HydrophobicContact CG1-CB 4.3Å; V75-F85 HydrophobicContact CG1-CG 4.49Å; V75-F85 HydrophobicContact CG2-CB 4.16Å; V75-F85 HydrophobicContact CG2-CD1 4Å; V75-F85 HydrophobicContact CG2-CD2 3.41Å; V75-F85 VanDerWaalsContact CG2-CD2 3.41Å; V75-F85 HydrophobicContact CG2-CE1 4.27Å; V75-F85 HydrophobicContact CG2-CE2 3.74Å; V75-F85 HydrophobicContact CG2-CG 3.58Å; V75-F85 HydrophobicContact CG2-CZ 4.17Å
76	T	97.4	Very high	97.5	Very high	85 Å²	85	45.4 Å²	45.4	52%	0.521	25%	0.248	S	C	.	.			trans	-73.7	134.1	171.8	-49.7	0	0	0	0	109.9	T78 C81	T76-T78 HydrophobicContact CG2-CG2 4.21Å; T76-T78 PolarHBondContact O-N 3.02Å; T76-C81 WeakPolarHBondContact O-CB 3.39Å
77	P	95.7	Very high	97.4	Very high	80 Å²	80	46.4 Å²	46.4	52%	0.519	25%	0.253	S	S	.	.	S	Bend	trans	-77.5	54	-173.4	32.5	-37.3	0	0	0	113.2	I70	I70-P77 HydrophobicContact CD1-CB 4.01Å; I70-P77 HydrophobicContact CG1-CB 4.27Å; I70-P77 HydrophobicContact CG2-CB 3.77Å; I70-P77 HydrophobicContact CG2-CG 4.12Å
78	T	98	Very high	97.4	Very high	56 Å²	56	46.3 Å²	46.3	34%	0.344	26%	0.26	S	S	.	.	S	Bend	trans	-119.9	146.9	172.4	68.7	0	0	0	0	109.9	T76 T80 C81 V82	T76-T78 HydrophobicContact CG2-CG2 4.21Å; T76-T78 PolarHBondContact O-N 3.02Å; T78-T80 PolarHBondContact O-N 2.76Å; T78-C81 PolarHBondContact O-N 3.27Å; T78-C81 VanDerWaalsContact O-N 3.13Å; T78-C81 VanDerWaalsContact OG1-CB 3.26Å; T78-C81 WeakPolarHBondContact OG1-CB 3.24Å; T78-C81 PolarHBondContact OG1-N 2.83Å; T78-C81 PolarHBondContact OG1-SG 2.8Å; T78-V82 WeakPolarHBondContact O-CG2 3.47Å; T78-V82 PolarHBondContact O-N 2.87Å
79	P	98.1	Very high	97.4	Very high	37 Å²	37	51.8 Å²	51.8	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-39.6	-178.7	-28.8	36.4	0	0	0	113.5	A83 F108 V112	P79-A83 WeakPolarHBondContact O-CB 3.3Å; P79-A83 PolarHBondContact O-N 2.88Å; P79-F108 HydrophobicContact CG-CD2 4.16Å; P79-F108 HydrophobicContact CG-CE2 3.79Å; P79-V112 HydrophobicContact CB-CG2 4.23Å
80	T	98.2	Very high	97.3	Very high	48 Å²	48	61 Å²	61	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-67.5	-44.9	178.2	-49.3	0	0	0	0	112.6	T78 A83 R84	T78-T80 PolarHBondContact O-N 2.76Å; T80-A83 PolarHBondContact O-N 3.43Å; T80-R84 WeakPolarHBondContact O-CG 3.36Å; T80-R84 PolarHBondContact O-N 3.12Å
81	C	98.1	Very high	97.3	Very high	43 Å²	43	61 Å²	61	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-41.4	178.4	-72.7	0	0	0	0	111.5	T76 T78 F85	T76-C81 WeakPolarHBondContact O-CB 3.39Å; T78-C81 PolarHBondContact O-N 3.27Å; T78-C81 VanDerWaalsContact O-N 3.13Å; T78-C81 VanDerWaalsContact OG1-CB 3.26Å; T78-C81 WeakPolarHBondContact OG1-CB 3.24Å; T78-C81 PolarHBondContact OG1-N 2.83Å; T78-C81 PolarHBondContact OG1-SG 2.8Å; C81-F85 WeakPolarHBondContact O-CB 3.49Å; C81-F85 PolarHBondContact O-N 3.41Å
82	V	98.6	Very high	97.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-46.6	174.3	174.8	0	0	0	0	110.5	L66 V75 T78 R84 F85 L86 Y100 F108 V112	L66-V82 HydrophobicContact CD1-CG1 4.02Å; L66-V82 HydrophobicContact CD1-CG2 4.27Å; L66-V82 HydrophobicContact CD2-CG1 3.66Å; L66-V82 HydrophobicContact CD2-CG2 4.2Å; V75-V82 HydrophobicContact CG1-CG2 3.88Å; T78-V82 WeakPolarHBondContact O-CG2 3.47Å; T78-V82 PolarHBondContact O-N 2.87Å; V82-R84 PolarHBondContact O-N 3.39Å; V82-F85 WeakPolarHBondContact O-CB 3.17Å; V82-F85 PolarHBondContact O-N 3.21Å; V82-F85 VanDerWaalsContact O-N 3.14Å; V82-L86 HydrophobicContact CG1-CD1 3.93Å; V82-L86 HydrophobicContact CG1-CG 4.19Å; V82-L86 VanDerWaalsContact O-CG 3.29Å; V82-L86 WeakPolarHBondContact O-CG 3.22Å; V82-L86 PolarHBondContact O-N 3.11Å; V82-Y100 HydrophobicContact CG1-CE1 4.43Å; V82-F108 HydrophobicContact CG2-CE1 4.13Å; V82-F108 HydrophobicContact CG2-CZ 3.97Å; V82-V112 HydrophobicContact CB-CG1 4.45Å; V82-V112 HydrophobicContact CB-CG2 3.98Å; V82-V112 HydrophobicContact CG1-CG1 3.84Å; V82-V112 HydrophobicContact CG1-CG2 3.79Å
83	A	98.4	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.4	-50.2	176.7	0	0	0	0	0	112.2	P79 T80 F85 L86 I87 V112 I116	P79-A83 WeakPolarHBondContact O-CB 3.3Å; P79-A83 PolarHBondContact O-N 2.88Å; T80-A83 PolarHBondContact O-N 3.43Å; A83-F85 VanDerWaalsContact C-N 3.32Å; A83-F85 PolarHBondContact O-N 3.3Å; A83-L86 PolarHBondContact O-N 3.42Å; A83-I87 WeakPolarHBondContact O-CG1 3.44Å; A83-I87 PolarHBondContact O-N 3.05Å; A83-I87 VanDerWaalsContact O-N 3.11Å; A83-V112 HydrophobicContact CB-CG1 4.39Å; A83-I116 HydrophobicContact CB-CB 4.44Å; A83-I116 HydrophobicContact CB-CG1 3.55Å
84	R	98.2	Very high	97.5	Very high	116 Å²	116	50.8 Å²	50.8	44%	0.438	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-42.5	175.9	-73.6	-179.3	-172.4	140.7	10.6	111.9	T80 V82 T88 E119	T80-R84 WeakPolarHBondContact O-CG 3.36Å; T80-R84 PolarHBondContact O-N 3.12Å; V82-R84 PolarHBondContact O-N 3.39Å; R84-T88 VanDerWaalsContact O-CB 3.32Å; R84-T88 WeakPolarHBondContact O-CB 3.45Å; R84-T88 VanDerWaalsContact O-CG2 3.31Å; R84-T88 WeakPolarHBondContact O-CG2 3.45Å; R84-T88 PolarHBondContact O-N 2.91Å; R84-T88 PolarHBondContact O-OG1 2.94Å; R84-E119 HydrophobicContact CG-CG 4.24Å; R84-E119 WeakPolarHBondContact CG-OE2 3.46Å; R84-E119 IonicContact CZ-OE1 2.71Å; R84-E119 VanDerWaalsContact CZ-OE1 3.26Å; R84-E119 VanDerWaalsContact NE-CD 3.35Å; R84-E119 IonicContact NE-OE1 3.15Å; R84-E119 PolarHBondContact NE-OE1 3.18Å; R84-E119 IonicContact NE-OE2 3.13Å; R84-E119 PolarHBondContact NE-OE2 3.37Å; R84-E119 IonicContact NH2-OE1 2.83Å; R84-E119 PolarHBondContact NH2-OE1 3.43Å
85	F	98.1	Very high	97.6	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-51.2	175.7	172.7	-96.8	0	0	0	111.4	Y51 L69 V75 C81 V82 A83 I87 R89 L92	Y51-F85 AromaticContact CE2-CE2 4Å; Y51-F85 HydrophobicContact CE2-CE2 4Å; Y51-F85 HydrophobicContact CE2-CZ 4.41Å; L69-F85 HydrophobicContact CD1-CE1 3.55Å; L69-F85 HydrophobicContact CD1-CZ 3.51Å; L69-F85 HydrophobicContact CD2-CZ 4.05Å; L69-F85 HydrophobicContact CG-CZ 4.38Å; V75-F85 HydrophobicContact CG1-CB 4.3Å; V75-F85 HydrophobicContact CG1-CG 4.49Å; V75-F85 HydrophobicContact CG2-CB 4.16Å; V75-F85 HydrophobicContact CG2-CD1 4Å; V75-F85 HydrophobicContact CG2-CD2 3.41Å; V75-F85 VanDerWaalsContact CG2-CD2 3.41Å; V75-F85 HydrophobicContact CG2-CE1 4.27Å; V75-F85 HydrophobicContact CG2-CE2 3.74Å; V75-F85 HydrophobicContact CG2-CG 3.58Å; V75-F85 HydrophobicContact CG2-CZ 4.17Å; C81-F85 WeakPolarHBondContact O-CB 3.49Å; C81-F85 PolarHBondContact O-N 3.41Å; V82-F85 WeakPolarHBondContact O-CB 3.17Å; V82-F85 PolarHBondContact O-N 3.21Å; V82-F85 VanDerWaalsContact O-N 3.14Å; A83-F85 VanDerWaalsContact C-N 3.32Å; A83-F85 PolarHBondContact O-N 3.3Å; F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 2.87Å; F85-R89 HydrophobicContact CD2-CB 4.13Å; F85-R89 HydrophobicContact CD2-CG 3.43Å; F85-R89 VanDerWaalsContact CD2-CG 3.43Å; F85-R89 HydrophobicContact CE2-CB 4.02Å; F85-R89 HydrophobicContact CE2-CG 3.67Å; F85-R89 HydrophobicContact CG-CG 4.22Å; F85-R89 WeakPolarHBondContact O-CB 3.28Å; F85-R89 WeakPolarHBondContact O-CG 3.24Å; F85-R89 PolarHBondContact O-N 2.67Å; F85-L92 HydrophobicContact CD1-CD1 4.03Å; F85-L92 HydrophobicContact CE1-CD1 3.58Å; F85-L92 HydrophobicContact CE1-CD2 3.97Å; F85-L92 HydrophobicContact CE1-CG 4.32Å; F85-L92 HydrophobicContact CZ-CD1 4.06Å; F85-L92 HydrophobicContact CZ-CD2 4.25Å
86	L	98.3	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-36	-176.6	-65.5	176.5	0	0	0	113.2	F58 V82 A83 L92 I97 Y100 V101 V112 I116	F58-L86 HydrophobicContact CE1-CD2 4.39Å; F58-L86 HydrophobicContact CE2-CD2 3.73Å; F58-L86 HydrophobicContact CZ-CD2 3.54Å; V82-L86 HydrophobicContact CG1-CD1 3.93Å; V82-L86 HydrophobicContact CG1-CG 4.19Å; V82-L86 VanDerWaalsContact O-CG 3.29Å; V82-L86 WeakPolarHBondContact O-CG 3.22Å; V82-L86 PolarHBondContact O-N 3.11Å; A83-L86 PolarHBondContact O-N 3.42Å; L86-L92 HydrophobicContact CD2-CD1 4.11Å; L86-I97 HydrophobicContact CB-CG2 4.2Å; L86-I97 HydrophobicContact CD1-CG2 4.42Å; L86-I97 HydrophobicContact CD2-CG1 4.28Å; L86-I97 VanDerWaalsContact O-CD1 3.26Å; L86-I97 WeakPolarHBondContact O-CD1 3.44Å; L86-Y100 HydrophobicContact CD1-CD1 3.99Å; L86-Y100 HydrophobicContact CD1-CE1 4.24Å; L86-V101 HydrophobicContact CD1-CG1 4.2Å; L86-V112 HydrophobicContact CD1-CG1 3.79Å; L86-I116 HydrophobicContact CD1-CD1 4.26Å
87	I	96.6	Very high	97.6	Very high	25 Å²	25	48.9 Å²	48.9	13%	0.128	25%	0.25	C	C	.	.	H	α-helix	trans	-89.7	-25.2	-176.6	71	-178.1	0	0	0	114.1	A83 F85 I116 E119 H137	A83-I87 WeakPolarHBondContact O-CG1 3.44Å; A83-I87 PolarHBondContact O-N 3.05Å; A83-I87 VanDerWaalsContact O-N 3.11Å; F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 2.87Å; I87-I116 HydrophobicContact CG2-CD1 4.34Å; I87-I116 HydrophobicContact CG2-CG1 4.05Å; I87-I116 HydrophobicContact CG2-CG2 3.96Å; I87-E119 HydrophobicContact CD1-CB 3.7Å; I87-E119 HydrophobicContact CD1-CG 4.29Å; I87-H137 HydrophobicContact CB-CB 4.48Å; I87-H137 HydrophobicContact CG2-CB 4Å
88	T	96.2	Very high	97.7	Very high	95 Å²	95	45.1 Å²	45.1	58%	0.583	23%	0.225	S	C	*	.	H	α-helix	trans	-102.3	-33.2	-174.3	64.6	0	0	0	0	114.3	R84	R84-T88 VanDerWaalsContact O-CB 3.32Å; R84-T88 WeakPolarHBondContact O-CB 3.45Å; R84-T88 VanDerWaalsContact O-CG2 3.31Å; R84-T88 WeakPolarHBondContact O-CG2 3.45Å; R84-T88 PolarHBondContact O-N 2.91Å; R84-T88 PolarHBondContact O-OG1 2.94Å
89	R	96.8	Very high	97.6	Very high	151 Å²	151	44.1 Å²	44.1	57%	0.57	22%	0.218	S	C	*	.			trans	-81	139	-174.1	-61.5	-59.7	-173.8	169.3	-0.6	111.5	F85 L92	F85-R89 HydrophobicContact CD2-CB 4.13Å; F85-R89 HydrophobicContact CD2-CG 3.43Å; F85-R89 VanDerWaalsContact CD2-CG 3.43Å; F85-R89 HydrophobicContact CE2-CB 4.02Å; F85-R89 HydrophobicContact CE2-CG 3.67Å; F85-R89 HydrophobicContact CG-CG 4.22Å; F85-R89 WeakPolarHBondContact O-CB 3.28Å; F85-R89 WeakPolarHBondContact O-CG 3.24Å; F85-R89 PolarHBondContact O-N 2.67Å; R89-L92 HydrophobicContact CB-CD1 4.45Å
90	K	96	Very high	97.6	Very high	194 Å²	194	42.6 Å²	42.6	84%	0.843	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	157.5	175.8	-63.1	-177.2	-179.5	176.3	0	110.7
91	G	96.9	Very high	97.6	Very high	29 Å²	29	40.3 Å²	40.3	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-5.8	177.7	0	0	0	0	0	114.5	V55 N59 H242	V55-G91 WeakPolarHBondContact CG1-O 3.25Å; N59-G91 PolarHBondContact ND2-O 3.3Å; G91-H242 PolarHBondContact O-CE1 2.83Å; G91-H242 PolarHBondContact O-ND1 3.43Å
92	L	98.4	Very high	97.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	18%	0.18	C	C	.	.			trans	-87.3	132.7	172.2	-61.6	168	0	0	0	110.3	V55 F58 F85 L86 R89 K94 I97	V55-L92 HydrophobicContact CG1-CD2 4.15Å; V55-L92 HydrophobicContact CG2-CD2 4.47Å; F58-L92 HydrophobicContact CB-CD2 4.33Å; F58-L92 HydrophobicContact CD1-CD2 3.41Å; F58-L92 VanDerWaalsContact CD1-CD2 3.41Å; F58-L92 HydrophobicContact CE1-CD2 3.82Å; F58-L92 HydrophobicContact CG-CD2 3.84Å; F85-L92 HydrophobicContact CD1-CD1 4.03Å; F85-L92 HydrophobicContact CE1-CD1 3.58Å; F85-L92 HydrophobicContact CE1-CD2 3.97Å; F85-L92 HydrophobicContact CE1-CG 4.32Å; F85-L92 HydrophobicContact CZ-CD1 4.06Å; F85-L92 HydrophobicContact CZ-CD2 4.25Å; L86-L92 HydrophobicContact CD2-CD1 4.11Å; R89-L92 HydrophobicContact CB-CD1 4.45Å; L92-K94 PolarHBondContact O-N 2.95Å; L92-I97 HydrophobicContact CB-CD1 3.85Å; L92-I97 HydrophobicContact CB-CG1 4.22Å; L92-I97 HydrophobicContact CD1-CD1 4.47Å
93	S	98.3	Very high	97.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	19%	0.187	C	C	.	.			trans	-72.5	127.1	176.8	172.6	0	0	0	0	109.1	N59 Q95 K96 I97 D241 H242	N59-S93 WeakPolarHBondContact OD1-CB 3.2Å; N59-S93 PolarHBondContact OD1-N 2.95Å; S93-Q95 PolarHBondContact O-N 3.38Å; S93-Q95 PolarHBondContact OG-N 3.28Å; S93-K96 PolarHBondContact O-N 2.99Å; S93-I97 WeakPolarHBondContact O-CG1 3.5Å; S93-I97 PolarHBondContact O-N 3.48Å; S93-D241 WeakPolarHBondContact CA-OD2 3.4Å; S93-H242 PolarHBondContact N-CE1 3.22Å
94	K	97.9	Very high	96.9	Very high	27 Å²	27	42.5 Å²	42.5	12%	0.117	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-28.7	-179.8	-64.7	-74.7	174	-161.2	0	112.3	L92 I97 G98 H137 F138 R139 T238 D241	L92-K94 PolarHBondContact O-N 2.95Å; K94-I97 HydrophobicContact CD-CD1 4.18Å; K94-G98 PolarHBondContact O-N 2.86Å; K94-H137 WeakPolarHBondContact CD-O 2.9Å; K94-H137 WeakPolarHBondContact CE-O 3.28Å; K94-H137 PolarHBondContact NZ-O 2.97Å; K94-F138 WeakPolarHBondContact O-CA 3.4Å; K94-R139 PolarHBondContact O-N 3.2Å; K94-T238 HydrophobicContact CB-CG2 3.6Å; K94-T238 HydrophobicContact CD-CG2 4.27Å; K94-T238 HydrophobicContact CG-CG2 3.99Å; K94-D241 HydrophobicContact CG-CB 3.85Å; K94-D241 PolarHBondContact N-OD2 3.02Å
95	Q	97.4	Very high	96.6	Very high	73 Å²	73	45.4 Å²	45.4	34%	0.341	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-48.2	169.9	-177.9	179.5	-3.7	0	0	111.5	S93 I97 G98 D99	S93-Q95 PolarHBondContact O-N 3.38Å; S93-Q95 PolarHBondContact OG-N 3.28Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; Q95-I97 PolarHBondContact O-N 3.12Å; Q95-G98 WeakPolarHBondContact O-CA 3.47Å; Q95-G98 PolarHBondContact O-N 3.41Å; Q95-D99 PolarHBondContact O-N 3.07Å
96	K	97.9	Very high	96.4	Very high	35 Å²	35	47.6 Å²	47.6	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-70.3	-31.1	-176.6	-69.1	-76.6	163.6	-152.5	0	113.3	F58 N59 P62 S93 G98 D99 Y100 P263	F58-K96 HydrophobicContact CD1-CB 4.4Å; F58-K96 HydrophobicContact CE1-CB 3.98Å; N59-K96 WeakPolarHBondContact O-CD 3.33Å; N59-K96 WeakPolarHBondContact O-CE 3.45Å; N59-K96 WeakPolarHBondContact O-CG 3.43Å; P62-K96 HydrophobicContact CG-CB 4.13Å; P62-K96 HydrophobicContact CG-CD 3.88Å; S93-K96 PolarHBondContact O-N 2.99Å; K96-G98 VanDerWaalsContact C-N 3.33Å; K96-D99 IonicContact NZ-OD2 3.44Å; K96-D99 PolarHBondContact NZ-OD2 3.49Å; K96-D99 PolarHBondContact O-N 2.94Å; K96-Y100 WeakPolarHBondContact O-CB 3.29Å; K96-Y100 PolarHBondContact O-N 3.14Å; K96-P263 HydrophobicContact CG-CB 3.84Å
97	I	98.4	Very high	96.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-46.2	167.9	-62.3	164.8	0	0	0	110	F58 L86 L92 S93 K94 Q95 Y100 V101 F138	F58-I97 HydrophobicContact CE1-CG1 4.07Å; F58-I97 HydrophobicContact CZ-CG1 4.21Å; L86-I97 HydrophobicContact CB-CG2 4.2Å; L86-I97 HydrophobicContact CD1-CG2 4.42Å; L86-I97 HydrophobicContact CD2-CG1 4.28Å; L86-I97 VanDerWaalsContact O-CD1 3.26Å; L86-I97 WeakPolarHBondContact O-CD1 3.44Å; L92-I97 HydrophobicContact CB-CD1 3.85Å; L92-I97 HydrophobicContact CB-CG1 4.22Å; L92-I97 HydrophobicContact CD1-CD1 4.47Å; S93-I97 WeakPolarHBondContact O-CG1 3.5Å; S93-I97 PolarHBondContact O-N 3.48Å; K94-I97 HydrophobicContact CD-CD1 4.18Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; Q95-I97 PolarHBondContact O-N 3.12Å; I97-Y100 PolarHBondContact O-N 3.41Å; I97-V101 HydrophobicContact CG2-CG1 4.38Å; I97-V101 WeakPolarHBondContact O-CG1 3.43Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.78Å; I97-F138 HydrophobicContact CB-CB 3.88Å; I97-F138 HydrophobicContact CG2-CB 3.61Å; I97-F138 HydrophobicContact CG2-CG 4.31Å
98	G	97.4	Very high	96.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-46.3	176.8	0	0	0	0	0	113	K94 Q95 K96 Y100 G102 R139 P141	K94-G98 PolarHBondContact O-N 2.86Å; Q95-G98 WeakPolarHBondContact O-CA 3.47Å; Q95-G98 PolarHBondContact O-N 3.41Å; K96-G98 VanDerWaalsContact C-N 3.33Å; G98-Y100 VanDerWaalsContact C-N 3.31Å; G98-Y100 PolarHBondContact O-N 3.43Å; G98-G102 PolarHBondContact O-N 2.72Å; G98-R139 WeakPolarHBondContact CA-O 3.44Å; G98-P141 WeakPolarHBondContact O-CG 3.44Å
99	D	96.4	Very high	96.3	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-46	175.9	-66.6	-15.1	0	0	0	111.2	Q95 K96 N103	Q95-D99 PolarHBondContact O-N 3.07Å; K96-D99 IonicContact NZ-OD2 3.44Å; K96-D99 PolarHBondContact NZ-OD2 3.49Å; K96-D99 PolarHBondContact O-N 2.94Å; D99-N103 PolarHBondContact O-N 3.27Å
100	Y	97.7	Very high	96.3	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-54.7	-177.9	-179	-102.7	0	0	0	112.7	F58 P62 E63 L66 V82 L86 K96 I97 G98 G102 N103 F108 C109 V112	F58-Y100 HydrophobicContact CE2-CG 4.48Å; P62-Y100 HydrophobicContact CB-CD2 3.76Å; P62-Y100 HydrophobicContact CB-CG 4.07Å; E63-Y100 HydrophobicContact CG-CD2 4.33Å; E63-Y100 HydrophobicContact CG-CE2 4.32Å; L66-Y100 HydrophobicContact CD2-CE1 4Å; L66-Y100 HydrophobicContact CD2-CE2 4.01Å; L66-Y100 VanDerWaalsContact CD2-CZ 3.42Å; L66-Y100 WeakPolarHBondContact CD2-OH 3.05Å; V82-Y100 HydrophobicContact CG1-CE1 4.43Å; L86-Y100 HydrophobicContact CD1-CD1 3.99Å; L86-Y100 HydrophobicContact CD1-CE1 4.24Å; K96-Y100 WeakPolarHBondContact O-CB 3.29Å; K96-Y100 PolarHBondContact O-N 3.14Å; I97-Y100 PolarHBondContact O-N 3.41Å; G98-Y100 VanDerWaalsContact C-N 3.31Å; G98-Y100 PolarHBondContact O-N 3.43Å; Y100-G102 PolarHBondContact O-N 3.39Å; Y100-N103 WeakPolarHBondContact O-CB 3.32Å; Y100-N103 PolarHBondContact O-N 2.65Å; Y100-F108 WeakPolarHBondContact OH-CD1 3.5Å; Y100-C109 WeakPolarHBondContact CE2-SG 3.47Å; Y100-C109 WeakPolarHBondContact O-CB 3.36Å; Y100-C109 PolarHBondContact O-SG 3.26Å; Y100-V112 HydrophobicContact CE1-CG1 4.26Å; Y100-V112 HydrophobicContact CE1-CG2 4.46Å
101	V	97.3	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71	-22.5	-177.1	-55.9	0	0	0	0	112.1	L86 I97 N103 V112 L113 I116 F138	L86-V101 HydrophobicContact CD1-CG1 4.2Å; I97-V101 HydrophobicContact CG2-CG1 4.38Å; I97-V101 WeakPolarHBondContact O-CG1 3.43Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.78Å; V101-N103 VanDerWaalsContact C-N 3.32Å; V101-V112 HydrophobicContact CG1-CG1 4.33Å; V101-L113 HydrophobicContact CB-CB 4.15Å; V101-L113 HydrophobicContact CB-CD1 4.11Å; V101-L113 HydrophobicContact CG2-CD1 4.03Å; V101-I116 HydrophobicContact CG1-CD1 3.66Å; V101-F138 HydrophobicContact CG2-CD2 4.33Å; V101-F138 HydrophobicContact CG2-CE2 4.28Å; V101-F138 HydrophobicContact CG2-CZ 4.46Å
102	G	95	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.5	172.4	0	0	0	0	0	114	G98 Y100 I104 K146	G98-G102 PolarHBondContact O-N 2.72Å; Y100-G102 PolarHBondContact O-N 3.39Å; G102-I104 PolarHBondContact O-N 2.71Å; G102-I104 VanDerWaalsContact O-N 3.08Å; G102-K146 VanDerWaalsContact O-CG 3.25Å; G102-K146 WeakPolarHBondContact O-CG 3.4Å
103	N	94.8	Very high	96.5	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.16	19%	0.193	C	C	.	.			trans	-60	116.1	179.6	-173.5	-23.4	0	0	0	109.8	E63 D99 Y100 V101 Q105 C109 R149	E63-N103 PolarHBondContact OE1-ND2 3.3Å; D99-N103 PolarHBondContact O-N 3.27Å; Y100-N103 WeakPolarHBondContact O-CB 3.32Å; Y100-N103 PolarHBondContact O-N 2.65Å; V101-N103 VanDerWaalsContact C-N 3.32Å; N103-Q105 PolarHBondContact OD1-N 2.83Å; N103-C109 HydrophobicContact CB-CB 4.26Å; N103-R149 PolarHBondContact O-NH1 3.27Å
104	I	91.6	Very high	96.4	Very high	59 Å²	59	43.2 Å²	43.2	30%	0.303	21%	0.213	S	C	.	.	S	Bend	trans	-79	-21.4	-173	62	175.5	0	0	0	113.7	G102 Q145 K146 R149	G102-I104 PolarHBondContact O-N 2.71Å; G102-I104 VanDerWaalsContact O-N 3.08Å; I104-Q145 HydrophobicContact CD1-CB 4.35Å; I104-Q145 VanDerWaalsContact CD1-OE1 3.24Å; I104-Q145 HydrophobicContact CG2-CB 4.49Å; I104-K146 HydrophobicContact CG2-CG 4.36Å; I104-R149 VanDerWaalsContact O-CZ 3.24Å; I104-R149 PolarHBondContact O-NH1 3.45Å; I104-R149 PolarHBondContact O-NH2 3.46Å
105	Q	92.2	Very high	96.5	Very high	177 Å²	177	42.3 Å²	42.3	83%	0.827	21%	0.21	S	C	*	.	S	Bend	trans	-90.7	-16.4	-171.4	-62	178.8	-16.7	0	0	112.9	N103	N103-Q105 PolarHBondContact OD1-N 2.83Å
106	D	93.5	Very high	96.5	Very high	57 Å²	57	38.9 Å²	38.9	31%	0.305	19%	0.194	S	C	.	.			trans	-106.5	117.9	-175.7	-170.7	-20.1	0	0	0	111.7	F108 C109 S110	D106-F108 VanDerWaalsContact C-N 3.34Å; D106-F108 WeakPolarHBondContact OD1-CA 3.43Å; D106-F108 VanDerWaalsContact OD1-CB 3.26Å; D106-F108 WeakPolarHBondContact OD1-CB 3.33Å; D106-F108 PolarHBondContact OD1-N 3.27Å; D106-C109 HydrophobicContact CB-CB 3.98Å; D106-C109 PolarHBondContact O-N 3.44Å; D106-C109 PolarHBondContact OD1-N 3.47Å; D106-S110 PolarHBondContact O-N 3.29Å
107	E	95.4	Very high	96.5	Very high	166 Å²	166	37.3 Å²	37.3	78%	0.776	19%	0.187	S	C	*	.	H	α-helix	trans	-68.9	-30.3	176.8	-65.7	-172.7	165.2	0	0	112.9	S110 S111	E107-S110 WeakPolarHBondContact O-CB 3.33Å; E107-S110 PolarHBondContact O-N 2.8Å; E107-S111 PolarHBondContact O-N 3.21Å; E107-S111 PolarHBondContact O-OG 3.14Å
108	F	97.2	Very high	96.5	Very high	62 Å²	62	42.3 Å²	42.3	27%	0.272	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-43.1	174.4	-174.7	-100.4	0	0	0	110.2	L66 P79 V82 Y100 D106 S110 S111 V112	L66-F108 HydrophobicContact CD2-CE1 4.39Å; P79-F108 HydrophobicContact CG-CD2 4.16Å; P79-F108 HydrophobicContact CG-CE2 3.79Å; V82-F108 HydrophobicContact CG2-CE1 4.13Å; V82-F108 HydrophobicContact CG2-CZ 3.97Å; Y100-F108 WeakPolarHBondContact OH-CD1 3.5Å; D106-F108 VanDerWaalsContact C-N 3.34Å; D106-F108 WeakPolarHBondContact OD1-CA 3.43Å; D106-F108 VanDerWaalsContact OD1-CB 3.26Å; D106-F108 WeakPolarHBondContact OD1-CB 3.33Å; D106-F108 PolarHBondContact OD1-N 3.27Å; F108-S110 VanDerWaalsContact C-N 3.29Å; F108-S110 PolarHBondContact O-N 3.4Å; F108-S111 WeakPolarHBondContact O-CB 3.41Å; F108-S111 PolarHBondContact O-N 3.1Å; F108-S111 VanDerWaalsContact O-N 3.1Å; F108-V112 HydrophobicContact CD1-CG2 3.99Å; F108-V112 HydrophobicContact CE1-CG2 3.7Å; F108-V112 HydrophobicContact CZ-CG2 4.13Å; F108-V112 VanDerWaalsContact O-CG2 3.32Å; F108-V112 WeakPolarHBondContact O-CG2 3.4Å; F108-V112 PolarHBondContact O-N 3.26Å
109	C	96.8	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-41.5	171.8	-72.1	0	0	0	0	112.3	Y100 N103 D106 S111 V112 L113	Y100-C109 WeakPolarHBondContact CE2-SG 3.47Å; Y100-C109 WeakPolarHBondContact O-CB 3.36Å; Y100-C109 PolarHBondContact O-SG 3.26Å; N103-C109 HydrophobicContact CB-CB 4.26Å; D106-C109 HydrophobicContact CB-CB 3.98Å; D106-C109 PolarHBondContact O-N 3.44Å; D106-C109 PolarHBondContact OD1-N 3.47Å; C109-S111 VanDerWaalsContact C-N 3.35Å; C109-S111 PolarHBondContact O-N 3.4Å; C109-V112 PolarHBondContact O-N 2.74Å; C109-L113 PolarHBondContact O-N 3.47Å
110	S	95.7	Very high	96.4	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-42.6	174.9	-173.7	0	0	0	0	112	D106 E107 F108 L113 K114	D106-S110 PolarHBondContact O-N 3.29Å; E107-S110 WeakPolarHBondContact O-CB 3.33Å; E107-S110 PolarHBondContact O-N 2.8Å; F108-S110 VanDerWaalsContact C-N 3.29Å; F108-S110 PolarHBondContact O-N 3.4Å; S110-L113 PolarHBondContact O-N 2.96Å; S110-K114 WeakPolarHBondContact O-CG 3.45Å; S110-K114 PolarHBondContact O-N 3.24Å
111	S	98	Very high	96.3	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-39	177.1	-60.3	0	0	0	0	112.1	E107 F108 C109 K114 S115	E107-S111 PolarHBondContact O-N 3.21Å; E107-S111 PolarHBondContact O-OG 3.14Å; F108-S111 WeakPolarHBondContact O-CB 3.41Å; F108-S111 PolarHBondContact O-N 3.1Å; F108-S111 VanDerWaalsContact O-N 3.1Å; C109-S111 VanDerWaalsContact C-N 3.35Å; C109-S111 PolarHBondContact O-N 3.4Å; S111-K114 PolarHBondContact O-N 3.48Å; S111-S115 PolarHBondContact O-N 3.27Å; S111-S115 PolarHBondContact O-OG 3.03Å
112	V	98.4	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-45.7	173.9	171.8	0	0	0	0	110.6	P79 V82 A83 L86 Y100 V101 F108 C109 K114 S115 I116	P79-V112 HydrophobicContact CB-CG2 4.23Å; V82-V112 HydrophobicContact CB-CG1 4.45Å; V82-V112 HydrophobicContact CB-CG2 3.98Å; V82-V112 HydrophobicContact CG1-CG1 3.84Å; V82-V112 HydrophobicContact CG1-CG2 3.79Å; A83-V112 HydrophobicContact CB-CG1 4.39Å; L86-V112 HydrophobicContact CD1-CG1 3.79Å; Y100-V112 HydrophobicContact CE1-CG1 4.26Å; Y100-V112 HydrophobicContact CE1-CG2 4.46Å; V101-V112 HydrophobicContact CG1-CG1 4.33Å; F108-V112 HydrophobicContact CD1-CG2 3.99Å; F108-V112 HydrophobicContact CE1-CG2 3.7Å; F108-V112 HydrophobicContact CZ-CG2 4.13Å; F108-V112 VanDerWaalsContact O-CG2 3.32Å; F108-V112 WeakPolarHBondContact O-CG2 3.4Å; F108-V112 PolarHBondContact O-N 3.26Å; C109-V112 PolarHBondContact O-N 2.74Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 3.38Å; V112-S115 CarbonylContact O-C 3.4Å; V112-S115 WeakPolarHBondContact O-CB 3.28Å; V112-S115 PolarHBondContact O-N 3.05Å; V112-S115 VanDerWaalsContact O-N 3.14Å; V112-I116 HydrophobicContact CG1-CD1 4.19Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.01Å
113	L	98.2	Very high	96.3	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176.7	176.7	60.8	0	0	0	111.9	V101 C109 S110 S115 I116 A117 F134 F138 R149 V150 A153	V101-L113 HydrophobicContact CB-CB 4.15Å; V101-L113 HydrophobicContact CB-CD1 4.11Å; V101-L113 HydrophobicContact CG2-CD1 4.03Å; C109-L113 PolarHBondContact O-N 3.47Å; S110-L113 PolarHBondContact O-N 2.96Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.46Å; L113-I116 WeakPolarHBondContact O-CB 3.45Å; L113-I116 PolarHBondContact O-N 3.3Å; L113-A117 PolarHBondContact O-N 3.35Å; L113-F134 HydrophobicContact CD1-CZ 4.01Å; L113-F138 HydrophobicContact CD1-CZ 4.34Å; L113-R149 HydrophobicContact CD2-CG 3.81Å; L113-V150 HydrophobicContact CD2-CG2 4.38Å; L113-A153 HydrophobicContact CD1-CB 4.43Å; L113-A153 HydrophobicContact CD2-CB 3.75Å; L113-A153 HydrophobicContact CG-CB 3.73Å
114	K	97.9	Very high	96.2	Very high	97 Å²	97	59.3 Å²	59.3	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-42.2	174.8	-71.9	178.1	178.7	-179.9	0	111.6	S110 S111 V112 A117 Q118	S110-K114 WeakPolarHBondContact O-CG 3.45Å; S110-K114 PolarHBondContact O-N 3.24Å; S111-K114 PolarHBondContact O-N 3.48Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 3.38Å; K114-A117 PolarHBondContact O-N 2.93Å; K114-Q118 WeakPolarHBondContact O-CG 3.32Å; K114-Q118 PolarHBondContact O-N 3.49Å
115	S	98.2	Very high	96.3	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-38.5	174.3	-71.9	0	0	0	0	112.5	S111 V112 L113 A117 Q118 E119	S111-S115 PolarHBondContact O-N 3.27Å; S111-S115 PolarHBondContact O-OG 3.03Å; V112-S115 CarbonylContact O-C 3.4Å; V112-S115 WeakPolarHBondContact O-CB 3.28Å; V112-S115 PolarHBondContact O-N 3.05Å; V112-S115 VanDerWaalsContact O-N 3.14Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.46Å; S115-A117 PolarHBondContact O-N 3.04Å; S115-Q118 WeakPolarHBondContact O-CB 3.46Å; S115-Q118 PolarHBondContact O-N 3.41Å; S115-E119 WeakPolarHBondContact O-CG 3.46Å; S115-E119 PolarHBondContact O-N 3.49Å; S115-E119 VanDerWaalsContact O-N 3.11Å
116	I	98.3	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-46.4	172.9	-71.4	172.6	0	0	0	110.5	A83 L86 I87 V101 V112 L113 Q118 E119 I120 F134 F138	A83-I116 HydrophobicContact CB-CB 4.44Å; A83-I116 HydrophobicContact CB-CG1 3.55Å; L86-I116 HydrophobicContact CD1-CD1 4.26Å; I87-I116 HydrophobicContact CG2-CD1 4.34Å; I87-I116 HydrophobicContact CG2-CG1 4.05Å; I87-I116 HydrophobicContact CG2-CG2 3.96Å; V101-I116 HydrophobicContact CG1-CD1 3.66Å; V112-I116 HydrophobicContact CG1-CD1 4.19Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.01Å; L113-I116 WeakPolarHBondContact O-CB 3.45Å; L113-I116 PolarHBondContact O-N 3.3Å; I116-Q118 VanDerWaalsContact C-N 3.27Å; I116-Q118 PolarHBondContact O-N 3.37Å; I116-E119 PolarHBondContact O-N 3.39Å; I116-I120 HydrophobicContact CG2-CD1 3.81Å; I116-I120 WeakPolarHBondContact O-CD1 3.34Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 2.96Å; I116-F134 HydrophobicContact CG2-CE2 4.31Å; I116-F138 HydrophobicContact CG2-CE1 4.21Å
117	A	98.1	Very high	96.5	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-38.3	177.7	0	0	0	0	0	111.6	L113 K114 S115 E119 I120 F134 R157	L113-A117 PolarHBondContact O-N 3.35Å; K114-A117 PolarHBondContact O-N 2.93Å; S115-A117 PolarHBondContact O-N 3.04Å; A117-E119 PolarHBondContact O-N 2.92Å; A117-I120 PolarHBondContact O-N 3Å; A117-F134 HydrophobicContact CB-CE2 3.81Å; A117-F134 HydrophobicContact CB-CZ 4.43Å; A117-R157 HydrophobicContact CB-CB 3.81Å; A117-R157 HydrophobicContact CB-CG 3.96Å; A117-R157 VanDerWaalsContact O-CG 3.32Å; A117-R157 WeakPolarHBondContact O-CG 3.37Å; A117-R157 PolarHBondContact O-NE 2.7Å; A117-R157 VanDerWaalsContact O-NE 3.12Å
118	Q	97.5	Very high	96.5	Very high	106 Å²	106	42.4 Å²	42.4	50%	0.495	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-38	176.5	-73.7	171.6	-6.6	0	0	113.5	K114 S115 I116 I120 R157	K114-Q118 WeakPolarHBondContact O-CG 3.32Å; K114-Q118 PolarHBondContact O-N 3.49Å; S115-Q118 WeakPolarHBondContact O-CB 3.46Å; S115-Q118 PolarHBondContact O-N 3.41Å; I116-Q118 VanDerWaalsContact C-N 3.27Å; I116-Q118 PolarHBondContact O-N 3.37Å; Q118-I120 PolarHBondContact O-N 3.15Å; Q118-R157 PolarHBondContact O-NH2 3.41Å
119	E	96.5	Very high	96.5	Very high	78 Å²	78	42.2 Å²	42.2	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-72.3	-11.6	179.2	-65.2	-76.7	144.3	0	0	113.3	R84 I87 S115 I116 A117	R84-E119 HydrophobicContact CG-CG 4.24Å; R84-E119 WeakPolarHBondContact CG-OE2 3.46Å; R84-E119 IonicContact CZ-OE1 2.71Å; R84-E119 VanDerWaalsContact CZ-OE1 3.26Å; R84-E119 VanDerWaalsContact NE-CD 3.35Å; R84-E119 IonicContact NE-OE1 3.15Å; R84-E119 PolarHBondContact NE-OE1 3.18Å; R84-E119 IonicContact NE-OE2 3.13Å; R84-E119 PolarHBondContact NE-OE2 3.37Å; R84-E119 IonicContact NH2-OE1 2.83Å; R84-E119 PolarHBondContact NH2-OE1 3.43Å; I87-E119 HydrophobicContact CD1-CB 3.7Å; I87-E119 HydrophobicContact CD1-CG 4.29Å; S115-E119 WeakPolarHBondContact O-CG 3.46Å; S115-E119 PolarHBondContact O-N 3.49Å; S115-E119 VanDerWaalsContact O-N 3.11Å; I116-E119 PolarHBondContact O-N 3.39Å; A117-E119 PolarHBondContact O-N 2.92Å
120	I	96.2	Very high	96.6	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	-98.9	120.3	-177.7	-64	161.7	0	0	0	109.7	I116 A117 Q118 M122 R133 F134 H137	I116-I120 HydrophobicContact CG2-CD1 3.81Å; I116-I120 WeakPolarHBondContact O-CD1 3.34Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 2.96Å; A117-I120 PolarHBondContact O-N 3Å; Q118-I120 PolarHBondContact O-N 3.15Å; I120-M122 HydrophobicContact CB-CE 3.96Å; I120-M122 HydrophobicContact CG2-CE 3.68Å; I120-M122 HydrophobicContact CG2-CG 4.1Å; I120-M122 PolarHBondContact O-N 2.94Å; I120-R133 HydrophobicContact CG2-CB 4.16Å; I120-F134 HydrophobicContact CD1-CD2 3.55Å; I120-F134 HydrophobicContact CD1-CE2 4.1Å; I120-H137 VanDerWaalsContact CD1-CD2 3.47Å; I120-H137 WeakPolarHBondContact CD1-CD2 3.3Å
121	D	95.9	Very high	96.7	Very high	86 Å²	86	40.8 Å²	40.8	46%	0.46	21%	0.209	S	C	.	.			trans	-73.3	114.6	175.9	176.1	20.6	0	0	0	111.3	Y123 R133	D121-Y123 VanDerWaalsContact OD1-CD2 3.31Å; D121-Y123 WeakPolarHBondContact OD1-CD2 3.38Å; D121-Y123 PolarHBondContact OD1-N 2.8Å; D121-R133 PolarHBondContact O-NH1 3.4Å; D121-R133 VanDerWaalsContact O-NH1 3.16Å; D121-R133 IonicContact OD2-NH1 3.23Å
122	M	96	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.			trans	-121.7	7.9	178.5	-55	-177.2	-165.3	0	0	112.8	I120 T124 A130 F134 F154 R157 Y158 C161 N162	I120-M122 HydrophobicContact CB-CE 3.96Å; I120-M122 HydrophobicContact CG2-CE 3.68Å; I120-M122 HydrophobicContact CG2-CG 4.1Å; I120-M122 PolarHBondContact O-N 2.94Å; M122-T124 PolarHBondContact O-N 2.84Å; M122-A130 HydrophobicContact CB-CB 4.07Å; M122-A130 HydrophobicContact CG-CB 4.09Å; M122-A130 HydrophobicContact SD-CB 4.26Å; M122-F134 HydrophobicContact CE-CB 3.94Å; M122-F134 HydrophobicContact CE-CD2 3.58Å; M122-F134 HydrophobicContact CE-CE2 4.43Å; M122-F134 HydrophobicContact CE-CG 4.03Å; M122-F154 HydrophobicContact CE-CD2 3.97Å; M122-F154 HydrophobicContact CE-CE2 4.19Å; M122-F154 HydrophobicContact SD-CD2 3.97Å; M122-F154 HydrophobicContact SD-CE2 3.74Å; M122-R157 HydrophobicContact CE-CG 4.12Å; M122-R157 HydrophobicContact SD-CG 4.02Å; M122-Y158 HydrophobicContact CB-CD2 4.48Å; M122-C161 HydrophobicContact CB-CB 4.15Å; M122-N162 PolarHBondContact O-ND2 2.93Å; M122-N162 PolarHBondContact O-OD1 3.44Å
123	Y	95.6	Very high	96.6	Very high	122 Å²	122	45.4 Å²	45.4	48%	0.478	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	134.5	-178.3	-71.5	-88.4	0	0	0	110.3	D121 L125 C161	D121-Y123 VanDerWaalsContact OD1-CD2 3.31Å; D121-Y123 WeakPolarHBondContact OD1-CD2 3.38Å; D121-Y123 PolarHBondContact OD1-N 2.8Å; Y123-L125 PolarHBondContact O-N 3.41Å; Y123-L125 VanDerWaalsContact O-N 3.11Å; Y123-C161 HydrophobicContact CD1-CB 4.01Å; Y123-C161 WeakPolarHBondContact CD1-O 3.4Å; Y123-C161 HydrophobicContact CD2-CB 4.27Å; Y123-C161 HydrophobicContact CE1-CB 4.11Å; Y123-C161 HydrophobicContact CE2-CB 4.37Å; Y123-C161 HydrophobicContact CG-CB 4.08Å
124	T	93.1	Very high	96.6	Very high	134 Å²	134	45.3 Å²	45.3	82%	0.822	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	13.8	176.4	68.7	0	0	0	0	115.6	M122 N162	M122-T124 PolarHBondContact O-N 2.84Å; T124-N162 WeakPolarHBondContact CA-OD1 3.34Å; T124-N162 PolarHBondContact N-OD1 3.37Å
125	L	94.7	Very high	96.5	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.12	20%	0.198	C	C	.	.			trans	-91.9	144.2	179.1	-59	-177.3	0	0	0	111.7	Y123 I129 A130 R133 Y158	Y123-L125 PolarHBondContact O-N 3.41Å; Y123-L125 VanDerWaalsContact O-N 3.11Å; L125-I129 HydrophobicContact CB-CB 4.5Å; L125-I129 HydrophobicContact CD1-CG2 4.28Å; L125-I129 HydrophobicContact CD2-CG2 4.22Å; L125-A130 HydrophobicContact CB-CB 4.09Å; L125-A130 HydrophobicContact CD1-CB 4.24Å; L125-R133 VanDerWaalsContact CD1-CZ 3.43Å; L125-Y158 VanDerWaalsContact O-CE2 3.3Å; L125-Y158 WeakPolarHBondContact O-CE2 3.38Å; L125-Y158 PolarHBondContact O-OH 3.02Å
126	D	94.3	Very high	96.4	Very high	69 Å²	69	45 Å²	45	37%	0.369	22%	0.217	S	C	.	.			trans	-59.5	149.1	161.4	-71.7	-22.7	0	0	0	110.7	D128 I129 A130 R230	D126-D128 VanDerWaalsContact C-N 3.33Å; D126-D128 PolarHBondContact O-N 3.37Å; D126-I129 HydrophobicContact CB-CD1 4.04Å; D126-I129 HydrophobicContact CB-CG1 4.15Å; D126-I129 WeakPolarHBondContact O-CB 3.26Å; D126-I129 PolarHBondContact O-N 3.01Å; D126-A130 PolarHBondContact O-N 3.42Å; D126-R230 VanDerWaalsContact CB-NH2 3.35Å; D126-R230 IonicContact OD2-CZ 2.88Å; D126-R230 VanDerWaalsContact OD2-CZ 3.23Å; D126-R230 IonicContact OD2-NH1 2.76Å; D126-R230 PolarHBondContact OD2-NH1 2.94Å; D126-R230 VanDerWaalsContact OD2-NH1 3.07Å; D126-R230 IonicContact OD2-NH2 3.58Å; D126-R230 PolarHBondContact OD2-NH2 2.94Å
127	L	94.6	Very high	96.4	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-39.1	-170.7	-173.6	147.4	0	0	0	113	A130 L131 F154 Y158 V176 L179 A180 I183	L127-A130 PolarHBondContact O-N 2.85Å; L127-L131 VanDerWaalsContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 PolarHBondContact O-N 2.66Å; L127-F154 HydrophobicContact CD2-CE1 4.46Å; L127-F154 HydrophobicContact CG-CE1 4.29Å; L127-F154 HydrophobicContact CG-CZ 4.41Å; L127-Y158 HydrophobicContact CB-CE1 4.22Å; L127-Y158 HydrophobicContact CB-CE2 4.32Å; L127-Y158 HydrophobicContact CD1-CD1 4.22Å; L127-Y158 HydrophobicContact CD1-CE1 3.99Å; L127-Y158 HydrophobicContact CG-CE1 4.33Å; L127-Y158 PolarHBondContact N-OH 3.46Å; L127-V176 HydrophobicContact CD1-CB 4.16Å; L127-V176 HydrophobicContact CD1-CG1 3.7Å; L127-V176 HydrophobicContact CD1-CG2 4.02Å; L127-L179 HydrophobicContact CD1-CB 4.47Å; L127-L179 HydrophobicContact CD1-CD2 4.01Å; L127-L179 HydrophobicContact CD1-CG 4.33Å; L127-L179 HydrophobicContact CD2-CD2 4.5Å; L127-L179 HydrophobicContact CD2-CG 4.19Å; L127-A180 HydrophobicContact CD2-CB 4.33Å; L127-I183 HydrophobicContact CD2-CD1 3.19Å
128	D	96.2	Very high	96.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-34.7	176.7	67.5	-60.3	0	0	0	112.6	D126 R132 I183 I227 R230 I231	D126-D128 VanDerWaalsContact C-N 3.33Å; D126-D128 PolarHBondContact O-N 3.37Å; D128-R132 VanDerWaalsContact O-CB 3.27Å; D128-R132 WeakPolarHBondContact O-CB 3.47Å; D128-R132 PolarHBondContact O-N 2.81Å; D128-I183 HydrophobicContact CB-CD1 4.18Å; D128-I183 HydrophobicContact CB-CG2 4.47Å; D128-I227 HydrophobicContact CB-CG1 4.27Å; D128-I227 HydrophobicContact CB-CG2 4.13Å; D128-R230 IonicContact OD1-CZ 3.09Å; D128-R230 IonicContact OD1-NE 2.63Å; D128-R230 PolarHBondContact OD1-NE 2.79Å; D128-R230 IonicContact OD1-NH2 2.94Å; D128-R230 PolarHBondContact OD1-NH2 3.45Å; D128-R230 IonicContact OD2-CZ 3.01Å; D128-R230 IonicContact OD2-NE 2.66Å; D128-R230 PolarHBondContact OD2-NE 3.44Å; D128-R230 IonicContact OD2-NH2 2.85Å; D128-I231 HydrophobicContact CB-CD1 4.06Å
129	I	97.2	Very high	96.2	Very high	58 Å²	58	44.3 Å²	44.3	30%	0.297	21%	0.211	S	C	.	.	H	α-helix	trans	-69.3	-45.4	176.2	-57.4	178.6	0	0	0	109.8	L125 D126 R132 R133	L125-I129 HydrophobicContact CB-CB 4.5Å; L125-I129 HydrophobicContact CD1-CG2 4.28Å; L125-I129 HydrophobicContact CD2-CG2 4.22Å; D126-I129 HydrophobicContact CB-CD1 4.04Å; D126-I129 HydrophobicContact CB-CG1 4.15Å; D126-I129 WeakPolarHBondContact O-CB 3.26Å; D126-I129 PolarHBondContact O-N 3.01Å; I129-R132 WeakPolarHBondContact O-CB 3.4Å; I129-R132 PolarHBondContact O-N 3.48Å; I129-R133 PolarHBondContact O-N 3.38Å
130	A	97.7	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-45.9	174.7	0	0	0	0	0	111.7	M122 L125 D126 L127 R132 R133 F134 F154 Y158	M122-A130 HydrophobicContact CB-CB 4.07Å; M122-A130 HydrophobicContact CG-CB 4.09Å; M122-A130 HydrophobicContact SD-CB 4.26Å; L125-A130 HydrophobicContact CB-CB 4.09Å; L125-A130 HydrophobicContact CD1-CB 4.24Å; D126-A130 PolarHBondContact O-N 3.42Å; L127-A130 PolarHBondContact O-N 2.85Å; A130-R132 PolarHBondContact O-N 3.43Å; A130-R133 PolarHBondContact O-N 2.87Å; A130-F134 PolarHBondContact O-N 2.93Å; A130-F154 HydrophobicContact CB-CE2 4.01Å; A130-F154 HydrophobicContact CB-CZ 4.11Å; A130-Y158 HydrophobicContact CB-CD2 3.55Å; A130-Y158 HydrophobicContact CB-CE2 3.61Å
131	L	97.8	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-36.1	177	-174.5	59.6	0	0	0	111.1	L127 F134 L135 I151 F154 A180 I183 I184 F236	L127-L131 VanDerWaalsContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 PolarHBondContact O-N 2.66Å; L131-F134 PolarHBondContact O-N 3.05Å; L131-L135 HydrophobicContact CD1-CD1 3.89Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.37Å; L131-L135 WeakPolarHBondContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 3.16Å; L131-I151 HydrophobicContact CD1-CD1 4.19Å; L131-F154 VanDerWaalsContact CA-CE2 3.47Å; L131-F154 HydrophobicContact CB-CE1 4.15Å; L131-F154 HydrophobicContact CB-CE2 4.02Å; L131-F154 HydrophobicContact CB-CZ 3.65Å; L131-F154 HydrophobicContact CD1-CD1 3.91Å; L131-F154 HydrophobicContact CD1-CD2 4.1Å; L131-F154 HydrophobicContact CD1-CE1 3.94Å; L131-F154 HydrophobicContact CD1-CE2 4.14Å; L131-F154 HydrophobicContact CD1-CG 3.99Å; L131-F154 HydrophobicContact CD1-CZ 4.06Å; L131-F154 HydrophobicContact CG-CZ 4.43Å; L131-A180 HydrophobicContact CD2-CB 4.24Å; L131-I183 HydrophobicContact CD2-CB 4.35Å; L131-I183 HydrophobicContact CD2-CG2 3.94Å; L131-I184 HydrophobicContact CD2-CD1 4.33Å; L131-I184 HydrophobicContact CD2-CG1 4.11Å; L131-F236 HydrophobicContact CB-CE1 4.22Å; L131-F236 HydrophobicContact CB-CZ 4.24Å; L131-F236 HydrophobicContact CD2-CE1 4.39Å; L131-F236 HydrophobicContact CD2-CZ 4Å; L131-F236 HydrophobicContact CG-CE1 4.01Å; L131-F236 HydrophobicContact CG-CZ 4.09Å
132	R	97.3	Very high	95.5	Very high	45 Å²	45	37.8 Å²	37.8	17%	0.17	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-41.3	178.4	-174.9	179.5	-62.9	-85.4	-2.8	111.7	D128 I129 A130 F134 H136 Q234 E235 F236	D128-R132 VanDerWaalsContact O-CB 3.27Å; D128-R132 WeakPolarHBondContact O-CB 3.47Å; D128-R132 PolarHBondContact O-N 2.81Å; I129-R132 WeakPolarHBondContact O-CB 3.4Å; I129-R132 PolarHBondContact O-N 3.48Å; A130-R132 PolarHBondContact O-N 3.43Å; R132-F134 VanDerWaalsContact C-N 3.33Å; R132-H136 WeakPolarHBondContact O-CB 3.36Å; R132-H136 PolarHBondContact O-N 3.33Å; R132-H136 VanDerWaalsContact O-N 3.09Å; R132-Q234 PolarHBondContact NH1-O 2.83Å; R132-Q234 PolarHBondContact NH2-O 2.89Å; R132-E235 PolarHBondContact NH1-O 3.08Å; R132-F236 HydrophobicContact CB-CD1 4.03Å; R132-F236 HydrophobicContact CB-CE1 3.58Å; R132-F236 HydrophobicContact CB-CZ 4.4Å; R132-F236 HydrophobicContact CG-CD1 4.2Å; R132-F236 HydrophobicContact CG-CE1 4.24Å
133	R	97.1	Very high	95.3	Very high	104 Å²	104	42.4 Å²	42.4	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-43.6	171.7	-68.8	-173.7	-174.4	-173.9	1.1	110.8	I120 D121 L125 I129 A130 H136 H137	I120-R133 HydrophobicContact CG2-CB 4.16Å; D121-R133 PolarHBondContact O-NH1 3.4Å; D121-R133 VanDerWaalsContact O-NH1 3.16Å; D121-R133 IonicContact OD2-NH1 3.23Å; L125-R133 VanDerWaalsContact CD1-CZ 3.43Å; I129-R133 PolarHBondContact O-N 3.38Å; A130-R133 PolarHBondContact O-N 2.87Å; R133-H136 VanDerWaalsContact O-CB 3.28Å; R133-H136 WeakPolarHBondContact O-CB 3.48Å; R133-H136 PolarHBondContact O-N 3.12Å; R133-H137 PolarHBondContact O-CD2 3.48Å
134	F	97.7	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-53.5	179.7	-170.4	-117.3	0	0	0	112.8	L113 I116 A117 I120 M122 A130 L131 R132 H136 H137 F138 V150 F154	L113-F134 HydrophobicContact CD1-CZ 4.01Å; I116-F134 HydrophobicContact CG2-CE2 4.31Å; A117-F134 HydrophobicContact CB-CE2 3.81Å; A117-F134 HydrophobicContact CB-CZ 4.43Å; I120-F134 HydrophobicContact CD1-CD2 3.55Å; I120-F134 HydrophobicContact CD1-CE2 4.1Å; M122-F134 HydrophobicContact CE-CB 3.94Å; M122-F134 HydrophobicContact CE-CD2 3.58Å; M122-F134 HydrophobicContact CE-CE2 4.43Å; M122-F134 HydrophobicContact CE-CG 4.03Å; A130-F134 PolarHBondContact O-N 2.93Å; L131-F134 PolarHBondContact O-N 3.05Å; R132-F134 VanDerWaalsContact C-N 3.33Å; F134-H136 PolarHBondContact O-N 2.84Å; F134-H137 PolarHBondContact O-N 3.45Å; F134-F138 HydrophobicContact CD1-CZ 4.3Å; F134-F138 HydrophobicContact CE1-CE1 4.36Å; F134-F138 AromaticContact CE1-CZ 3.75Å; F134-F138 HydrophobicContact CE1-CZ 3.75Å; F134-F138 HydrophobicContact CE2-CE1 4.36Å; F134-F138 HydrophobicContact CE2-CZ 4.5Å; F134-F138 HydrophobicContact CZ-CE1 4.15Å; F134-F138 AromaticContact CZ-CZ 3.86Å; F134-F138 HydrophobicContact CZ-CZ 3.86Å; F134-V150 HydrophobicContact CE1-CG1 3.65Å; F134-V150 HydrophobicContact CZ-CG1 4.42Å; F134-F154 HydrophobicContact CB-CD2 3.82Å; F134-F154 HydrophobicContact CB-CE2 4.2Å; F134-F154 HydrophobicContact CD1-CB 3.82Å; F134-F154 AromaticContact CD1-CD2 3.83Å; F134-F154 HydrophobicContact CD1-CD2 3.83Å; F134-F154 HydrophobicContact CD1-CG 4.14Å; F134-F154 HydrophobicContact CD2-CD2 4.5Å; F134-F154 HydrophobicContact CE1-CB 3.71Å; F134-F154 HydrophobicContact CG-CB 4.48Å; F134-F154 AromaticContact CG-CD2 3.81Å; F134-F154 HydrophobicContact CG-CD2 3.81Å; F134-F154 HydrophobicContact CZ-CB 4.33Å
135	L	96.8	Very high	95.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-76.4	-1.9	-179.1	-59.7	-179.2	0	0	0	113.8	L131 H137 F138 L140 V150 I184 F236 T238	L131-L135 HydrophobicContact CD1-CD1 3.89Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.37Å; L131-L135 WeakPolarHBondContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 3.16Å; L135-H137 VanDerWaalsContact C-N 3.26Å; L135-F138 HydrophobicContact CD2-CE2 4.32Å; L135-L140 HydrophobicContact CD2-CB 4.47Å; L135-L140 HydrophobicContact CD2-CD1 4.01Å; L135-V150 HydrophobicContact CD2-CG1 4.44Å; L135-I184 HydrophobicContact CD1-CD1 4.49Å; L135-F236 HydrophobicContact CD1-CD1 4.42Å; L135-T238 PolarHBondContact O-OG1 3Å
136	H	96.5	Very high	95.1	Very high	96 Å²	96	39.2 Å²	39.2	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-32.3	170.1	-172.3	78.1	0	0	0	111.4	R132 R133 F134 G239	R132-H136 WeakPolarHBondContact O-CB 3.36Å; R132-H136 PolarHBondContact O-N 3.33Å; R132-H136 VanDerWaalsContact O-N 3.09Å; R133-H136 VanDerWaalsContact O-CB 3.28Å; R133-H136 WeakPolarHBondContact O-CB 3.48Å; R133-H136 PolarHBondContact O-N 3.12Å; F134-H136 PolarHBondContact O-N 2.84Å; H136-G239 WeakPolarHBondContact CE1-CA 3.26Å; H136-G239 WeakPolarHBondContact O-CA 3.3Å; H136-G239 PolarHBondContact O-N 2.96Å
137	H	97.1	Very high	95.1	Very high	43 Å²	43	36.9 Å²	36.9	20%	0.199	18%	0.179	C	C	.	.	S	Bend	trans	-83.2	-19.1	-169.6	-68.3	-77.5	0	0	0	114.8	I87 K94 I120 R133 F134 L135	I87-H137 HydrophobicContact CB-CB 4.48Å; I87-H137 HydrophobicContact CG2-CB 4Å; K94-H137 WeakPolarHBondContact CD-O 2.9Å; K94-H137 WeakPolarHBondContact CE-O 3.28Å; K94-H137 PolarHBondContact NZ-O 2.97Å; I120-H137 VanDerWaalsContact CD1-CD2 3.47Å; I120-H137 WeakPolarHBondContact CD1-CD2 3.3Å; R133-H137 PolarHBondContact O-CD2 3.48Å; F134-H137 PolarHBondContact O-N 3.45Å; L135-H137 VanDerWaalsContact C-N 3.26Å
138	F	97.3	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-157.8	159.3	177.1	57.8	-90.8	0	0	0	110.5	K94 I97 V101 L113 I116 F134 L135 V150 T238	K94-F138 WeakPolarHBondContact O-CA 3.4Å; I97-F138 HydrophobicContact CB-CB 3.88Å; I97-F138 HydrophobicContact CG2-CB 3.61Å; I97-F138 HydrophobicContact CG2-CG 4.31Å; V101-F138 HydrophobicContact CG2-CD2 4.33Å; V101-F138 HydrophobicContact CG2-CE2 4.28Å; V101-F138 HydrophobicContact CG2-CZ 4.46Å; L113-F138 HydrophobicContact CD1-CZ 4.34Å; I116-F138 HydrophobicContact CG2-CE1 4.21Å; F134-F138 HydrophobicContact CD1-CZ 4.3Å; F134-F138 HydrophobicContact CE1-CE1 4.36Å; F134-F138 AromaticContact CE1-CZ 3.75Å; F134-F138 HydrophobicContact CE1-CZ 3.75Å; F134-F138 HydrophobicContact CE2-CE1 4.36Å; F134-F138 HydrophobicContact CE2-CZ 4.5Å; F134-F138 HydrophobicContact CZ-CE1 4.15Å; F134-F138 AromaticContact CZ-CZ 3.86Å; F134-F138 HydrophobicContact CZ-CZ 3.86Å; L135-F138 HydrophobicContact CD2-CE2 4.32Å; F138-V150 HydrophobicContact CE2-CG1 3.71Å; F138-V150 HydrophobicContact CE2-CG2 4.25Å; F138-V150 HydrophobicContact CZ-CG1 3.76Å; F138-T238 VanDerWaalsContact C-CG2 3.42Å; F138-T238 PolarHBondContact O-OG1 3.36Å
139	R	95.6	Very high	95	Very high	50 Å²	50	44.5 Å²	44.5	19%	0.189	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-84.7	131.5	176.6	179.3	174.2	167.1	-165.8	-12.4	108.4	K94 G98 T238 S453	K94-R139 PolarHBondContact O-N 3.2Å; G98-R139 WeakPolarHBondContact CA-O 3.44Å; R139-T238 WeakPolarHBondContact CA-OG1 3.49Å; R139-T238 HydrophobicContact CB-CG2 4.24Å; R139-S453 PolarHBondContact NH2-OG 3.25Å
140	L	93.9	Very high	95	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-61.4	132.4	178.5	-167.3	66.6	0	0	0	110.1	L135 I147 V150 I184 L455	L135-L140 HydrophobicContact CD2-CB 4.47Å; L135-L140 HydrophobicContact CD2-CD1 4.01Å; L140-I147 HydrophobicContact CD1-CG2 4.39Å; L140-I147 HydrophobicContact CD2-CG1 4.34Å; L140-I147 HydrophobicContact CD2-CG2 4.02Å; L140-I147 HydrophobicContact CG-CG1 4.14Å; L140-I147 HydrophobicContact CG-CG2 4.4Å; L140-V150 HydrophobicContact CD1-CB 3.91Å; L140-V150 HydrophobicContact CD1-CG1 3.57Å; L140-V150 HydrophobicContact CD1-CG2 4.38Å; L140-I184 HydrophobicContact CD2-CD1 3.94Å; L140-I184 HydrophobicContact CD2-CG2 4.29Å; L140-L455 HydrophobicContact CB-CD1 3.67Å; L140-L455 HydrophobicContact CD2-CD1 3.78Å; L140-L455 HydrophobicContact CG-CD1 4.4Å
141	P	92.6	Very high	95	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-58.2	160.4	174.3	-26.6	36.8	0	0	0	112.8	G98 K146 I147	G98-P141 WeakPolarHBondContact O-CG 3.44Å; P141-K146 HydrophobicContact CB-CB 3.61Å; P141-K146 HydrophobicContact CB-CD 3.88Å; P141-K146 HydrophobicContact CB-CG 4.41Å; P141-K146 HydrophobicContact CG-CB 3.94Å; P141-K146 HydrophobicContact CG-CD 4.33Å; P141-I147 WeakPolarHBondContact O-CD1 3.41Å; P141-I147 WeakPolarHBondContact O-CG1 3.18Å
142	G	87.6	Confident	95	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	21%	0.208	S	C	.	.	S	Bend	trans	-87.1	-26.6	179.4	0	0	0	0	0	113.7	V451	G142-V451 WeakPolarHBondContact O-CG2 3.48Å
143	E	91	Very high	95	Very high	96 Å²	96	42.4 Å²	42.4	45%	0.449	20%	0.203	S	C	.	.	S	Bend	trans	-79.3	129.9	-174.8	-52.4	95.2	131.6	0	0	111.6	Q145 K146 I147	E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 3.45Å; E143-Q145 VanDerWaalsContact O-N 3.16Å; E143-K146 HydrophobicContact CB-CD 4.41Å; E143-K146 HydrophobicContact CB-CG 4.19Å; E143-K146 WeakPolarHBondContact O-CB 3.41Å; E143-K146 PolarHBondContact O-N 3.33Å; E143-K146 WeakPolarHBondContact OE1-CE 3.31Å; E143-K146 IonicContact OE1-NZ 3.34Å; E143-K146 PolarHBondContact OE1-NZ 3.45Å; E143-K146 IonicContact OE2-NZ 3.53Å; E143-I147 WeakPolarHBondContact O-CG1 3.38Å; E143-I147 PolarHBondContact O-N 2.7Å
144	A	90.5	Very high	95	Very high	38 Å²	38	37.4 Å²	37.4	31%	0.314	18%	0.184	S	C	.	.	H	α-helix	trans	-50.6	-45.8	-173.4	0	0	0	0	0	114	K146 I147 E148 T446	A144-K146 VanDerWaalsContact C-N 3.32Å; A144-K146 PolarHBondContact O-N 2.8Å; A144-I147 WeakPolarHBondContact O-CB 3.44Å; A144-I147 PolarHBondContact O-N 2.69Å; A144-E148 PolarHBondContact O-N 2.98Å; A144-T446 HydrophobicContact CB-CG2 3.95Å
145	Q	93.7	Very high	95	Very high	130 Å²	130	37.4 Å²	37.4	61%	0.607	18%	0.184	S	C	*	.	H	α-helix	trans	-64.5	-35.6	-179.3	-66.2	177	-11.3	0	0	112.6	I104 E143 R149	I104-Q145 HydrophobicContact CD1-CB 4.35Å; I104-Q145 VanDerWaalsContact CD1-OE1 3.24Å; I104-Q145 HydrophobicContact CG2-CB 4.49Å; E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 3.45Å; E143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-R149 PolarHBondContact O-N 2.79Å; Q145-R149 VanDerWaalsContact O-N 3.16Å
146	K	94.2	Very high	94.9	Very high	45 Å²	45	39.6 Å²	39.6	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-72.8	-39.2	176.6	-61.1	-167.9	-180	160.6	0	111	G102 I104 P141 E143 A144 R149 V150	G102-K146 VanDerWaalsContact O-CG 3.25Å; G102-K146 WeakPolarHBondContact O-CG 3.4Å; I104-K146 HydrophobicContact CG2-CG 4.36Å; P141-K146 HydrophobicContact CB-CB 3.61Å; P141-K146 HydrophobicContact CB-CD 3.88Å; P141-K146 HydrophobicContact CB-CG 4.41Å; P141-K146 HydrophobicContact CG-CB 3.94Å; P141-K146 HydrophobicContact CG-CD 4.33Å; E143-K146 HydrophobicContact CB-CD 4.41Å; E143-K146 HydrophobicContact CB-CG 4.19Å; E143-K146 WeakPolarHBondContact O-CB 3.41Å; E143-K146 PolarHBondContact O-N 3.33Å; E143-K146 WeakPolarHBondContact OE1-CE 3.31Å; E143-K146 IonicContact OE1-NZ 3.34Å; E143-K146 PolarHBondContact OE1-NZ 3.45Å; E143-K146 IonicContact OE2-NZ 3.53Å; A144-K146 VanDerWaalsContact C-N 3.32Å; A144-K146 PolarHBondContact O-N 2.8Å; K146-R149 PolarHBondContact O-N 3.44Å; K146-V150 WeakPolarHBondContact O-CG2 3.27Å; K146-V150 PolarHBondContact O-N 3.34Å; K146-V150 VanDerWaalsContact O-N 3.12Å
147	I	93.9	Very high	95	Very high	20 Å²	20	36.7 Å²	36.7	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-50.1	173.6	-61.9	172.3	0	0	0	109.7	L140 P141 E143 A144 R149 V150 I151 F181	L140-I147 HydrophobicContact CD1-CG2 4.39Å; L140-I147 HydrophobicContact CD2-CG1 4.34Å; L140-I147 HydrophobicContact CD2-CG2 4.02Å; L140-I147 HydrophobicContact CG-CG1 4.14Å; L140-I147 HydrophobicContact CG-CG2 4.4Å; P141-I147 WeakPolarHBondContact O-CD1 3.41Å; P141-I147 WeakPolarHBondContact O-CG1 3.18Å; E143-I147 WeakPolarHBondContact O-CG1 3.38Å; E143-I147 PolarHBondContact O-N 2.7Å; A144-I147 WeakPolarHBondContact O-CB 3.44Å; A144-I147 PolarHBondContact O-N 2.69Å; I147-R149 VanDerWaalsContact C-N 3.32Å; I147-R149 PolarHBondContact O-N 3.26Å; I147-V150 PolarHBondContact O-N 2.72Å; I147-V150 VanDerWaalsContact O-N 3.08Å; I147-I151 HydrophobicContact CG2-CG1 3.98Å; I147-I151 WeakPolarHBondContact O-CG1 3.46Å; I147-I151 PolarHBondContact O-N 3.41Å; I147-F181 HydrophobicContact CB-CE1 4.46Å; I147-F181 HydrophobicContact CB-CZ 4.44Å; I147-F181 HydrophobicContact CG2-CD1 4.5Å; I147-F181 HydrophobicContact CG2-CE1 3.53Å; I147-F181 HydrophobicContact CG2-CZ 3.65Å
148	E	95.2	Very high	94.9	Very high	103 Å²	103	36.3 Å²	36.3	48%	0.481	18%	0.176	S	C	.	.	H	α-helix	trans	-53.4	-47.2	177.6	170.6	166.9	-166.1	0	0	112	A144 V150 I151 Q152 F177 F181	A144-E148 PolarHBondContact O-N 2.98Å; E148-V150 VanDerWaalsContact C-N 3.35Å; E148-V150 PolarHBondContact O-N 3.01Å; E148-I151 PolarHBondContact O-N 3.15Å; E148-Q152 VanDerWaalsContact O-CB 3.27Å; E148-Q152 WeakPolarHBondContact O-CB 3.44Å; E148-Q152 PolarHBondContact O-N 3.46Å; E148-F177 HydrophobicContact CB-CZ 4.45Å; E148-F177 HydrophobicContact CG-CE2 4.06Å; E148-F177 HydrophobicContact CG-CZ 3.86Å; E148-F181 HydrophobicContact CB-CZ 4.34Å
149	R	95.4	Very high	94.8	Very high	67 Å²	67	36.8 Å²	36.8	25%	0.253	18%	0.18	S	C	.	.	H	α-helix	trans	-57	-45.4	175.5	171.8	163.7	-72	-160.6	2	112.8	N103 I104 L113 Q145 K146 I147 A153	N103-R149 PolarHBondContact O-NH1 3.27Å; I104-R149 VanDerWaalsContact O-CZ 3.24Å; I104-R149 PolarHBondContact O-NH1 3.45Å; I104-R149 PolarHBondContact O-NH2 3.46Å; L113-R149 HydrophobicContact CD2-CG 3.81Å; Q145-R149 PolarHBondContact O-N 2.79Å; Q145-R149 VanDerWaalsContact O-N 3.16Å; K146-R149 PolarHBondContact O-N 3.44Å; I147-R149 VanDerWaalsContact C-N 3.32Å; I147-R149 PolarHBondContact O-N 3.26Å; R149-A153 PolarHBondContact O-N 3.06Å
150	V	97.2	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-45.6	179.3	171.4	0	0	0	0	111.3	L113 F134 L135 F138 L140 K146 I147 E148 A153 F154	L113-V150 HydrophobicContact CD2-CG2 4.38Å; F134-V150 HydrophobicContact CE1-CG1 3.65Å; F134-V150 HydrophobicContact CZ-CG1 4.42Å; L135-V150 HydrophobicContact CD2-CG1 4.44Å; F138-V150 HydrophobicContact CE2-CG1 3.71Å; F138-V150 HydrophobicContact CE2-CG2 4.25Å; F138-V150 HydrophobicContact CZ-CG1 3.76Å; L140-V150 HydrophobicContact CD1-CB 3.91Å; L140-V150 HydrophobicContact CD1-CG1 3.57Å; L140-V150 HydrophobicContact CD1-CG2 4.38Å; K146-V150 WeakPolarHBondContact O-CG2 3.27Å; K146-V150 PolarHBondContact O-N 3.34Å; K146-V150 VanDerWaalsContact O-N 3.12Å; I147-V150 PolarHBondContact O-N 2.72Å; I147-V150 VanDerWaalsContact O-N 3.08Å; E148-V150 VanDerWaalsContact C-N 3.35Å; E148-V150 PolarHBondContact O-N 3.01Å; V150-A153 PolarHBondContact O-N 3.02Å; V150-F154 PolarHBondContact O-N 2.82Å; V150-F154 VanDerWaalsContact O-N 3.07Å
151	I	97.3	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71	-32.9	-178	-59.5	-55.6	0	0	0	111.8	L131 I147 E148 F154 A155 F177 A180 F181 I184	L131-I151 HydrophobicContact CD1-CD1 4.19Å; I147-I151 HydrophobicContact CG2-CG1 3.98Å; I147-I151 WeakPolarHBondContact O-CG1 3.46Å; I147-I151 PolarHBondContact O-N 3.41Å; E148-I151 PolarHBondContact O-N 3.15Å; I151-F154 WeakPolarHBondContact O-CB 3.18Å; I151-F154 PolarHBondContact O-N 2.56Å; I151-A155 WeakPolarHBondContact O-CB 3.38Å; I151-A155 PolarHBondContact O-N 3.15Å; I151-F177 HydrophobicContact CB-CD2 4.33Å; I151-F177 HydrophobicContact CB-CE2 4.29Å; I151-F177 HydrophobicContact CG2-CD2 3.83Å; I151-F177 HydrophobicContact CG2-CE2 4.21Å; I151-F177 HydrophobicContact CG2-CG 4.37Å; I151-A180 HydrophobicContact CG2-CB 3.72Å; I151-F181 HydrophobicContact CB-CD2 4.24Å; I151-F181 HydrophobicContact CB-CE2 3.78Å; I151-F181 HydrophobicContact CB-CZ 4.43Å; I151-F181 HydrophobicContact CG1-CD2 4.4Å; I151-F181 HydrophobicContact CG1-CE2 4.01Å; I151-F181 HydrophobicContact CG1-CZ 4.26Å; I151-F181 HydrophobicContact CG2-CD2 3.8Å; I151-F181 HydrophobicContact CG2-CE2 3.84Å; I151-I184 HydrophobicContact CD1-CD1 3.38Å; I151-I184 HydrophobicContact CG1-CD1 4.07Å
152	Q	96.9	Very high	94.6	Very high	52 Å²	52	41 Å²	41	24%	0.243	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-49.5	172.6	-177.7	61.2	27	0	0	111.4	E148 F154 A155 E156 F177	E148-Q152 VanDerWaalsContact O-CB 3.27Å; E148-Q152 WeakPolarHBondContact O-CB 3.44Å; E148-Q152 PolarHBondContact O-N 3.46Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 2.88Å; Q152-A155 PolarHBondContact O-N 3.04Å; Q152-E156 PolarHBondContact NE2-OE1 3.06Å; Q152-E156 WeakPolarHBondContact O-CG 3.26Å; Q152-E156 PolarHBondContact O-N 2.91Å; Q152-F177 HydrophobicContact CB-CD2 4.35Å; Q152-F177 HydrophobicContact CB-CE2 4.24Å
153	A	97.3	Very high	94.5	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-38.2	177.4	0	0	0	0	0	112.3	L113 R149 V150 R157	L113-A153 HydrophobicContact CD1-CB 4.43Å; L113-A153 HydrophobicContact CD2-CB 3.75Å; L113-A153 HydrophobicContact CG-CB 3.73Å; R149-A153 PolarHBondContact O-N 3.06Å; V150-A153 PolarHBondContact O-N 3.02Å; A153-R157 WeakPolarHBondContact O-CB 3.43Å; A153-R157 PolarHBondContact O-N 3.38Å; A153-R157 VanDerWaalsContact O-N 3.15Å
154	F	98	Very high	93.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-49.2	172.2	169.8	-101.3	0	0	0	111.9	M122 L127 A130 L131 F134 V150 I151 Q152 E156 R157 Y158 V176 A180	M122-F154 HydrophobicContact CE-CD2 3.97Å; M122-F154 HydrophobicContact CE-CE2 4.19Å; M122-F154 HydrophobicContact SD-CD2 3.97Å; M122-F154 HydrophobicContact SD-CE2 3.74Å; L127-F154 HydrophobicContact CD2-CE1 4.46Å; L127-F154 HydrophobicContact CG-CE1 4.29Å; L127-F154 HydrophobicContact CG-CZ 4.41Å; A130-F154 HydrophobicContact CB-CE2 4.01Å; A130-F154 HydrophobicContact CB-CZ 4.11Å; L131-F154 VanDerWaalsContact CA-CE2 3.47Å; L131-F154 HydrophobicContact CB-CE1 4.15Å; L131-F154 HydrophobicContact CB-CE2 4.02Å; L131-F154 HydrophobicContact CB-CZ 3.65Å; L131-F154 HydrophobicContact CD1-CD1 3.91Å; L131-F154 HydrophobicContact CD1-CD2 4.1Å; L131-F154 HydrophobicContact CD1-CE1 3.94Å; L131-F154 HydrophobicContact CD1-CE2 4.14Å; L131-F154 HydrophobicContact CD1-CG 3.99Å; L131-F154 HydrophobicContact CD1-CZ 4.06Å; L131-F154 HydrophobicContact CG-CZ 4.43Å; F134-F154 HydrophobicContact CB-CD2 3.82Å; F134-F154 HydrophobicContact CB-CE2 4.2Å; F134-F154 HydrophobicContact CD1-CB 3.82Å; F134-F154 AromaticContact CD1-CD2 3.83Å; F134-F154 HydrophobicContact CD1-CD2 3.83Å; F134-F154 HydrophobicContact CD1-CG 4.14Å; F134-F154 HydrophobicContact CD2-CD2 4.5Å; F134-F154 HydrophobicContact CE1-CB 3.71Å; F134-F154 HydrophobicContact CG-CB 4.48Å; F134-F154 AromaticContact CG-CD2 3.81Å; F134-F154 HydrophobicContact CG-CD2 3.81Å; F134-F154 HydrophobicContact CZ-CB 4.33Å; V150-F154 PolarHBondContact O-N 2.82Å; V150-F154 VanDerWaalsContact O-N 3.07Å; I151-F154 WeakPolarHBondContact O-CB 3.18Å; I151-F154 PolarHBondContact O-N 2.56Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 2.88Å; F154-E156 PolarHBondContact O-N 3.2Å; F154-R157 PolarHBondContact O-N 3.11Å; F154-Y158 HydrophobicContact CZ-CD2 4.21Å; F154-Y158 HydrophobicContact CZ-CG 4.35Å; F154-Y158 WeakPolarHBondContact O-CB 3.48Å; F154-Y158 PolarHBondContact O-N 3.45Å; F154-V176 HydrophobicContact CE1-CG1 4.49Å; F154-A180 HydrophobicContact CD1-CB 4.08Å; F154-A180 HydrophobicContact CE1-CB 4Å
155	A	96.7	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-44.1	-175.9	0	0	0	0	0	112.2	I151 Q152 Y158 C159 I173 V176 F177	I151-A155 WeakPolarHBondContact O-CB 3.38Å; I151-A155 PolarHBondContact O-N 3.15Å; Q152-A155 PolarHBondContact O-N 3.04Å; A155-Y158 PolarHBondContact O-N 3.04Å; A155-C159 WeakPolarHBondContact O-CB 3.24Å; A155-C159 PolarHBondContact O-N 3.22Å; A155-I173 HydrophobicContact CB-CG2 4.12Å; A155-V176 HydrophobicContact CB-CB 4.25Å; A155-V176 HydrophobicContact CB-CG1 3.67Å; A155-F177 HydrophobicContact CB-CB 4.05Å
156	E	96.1	Very high	90.3	Very high	50 Å²	50	43 Å²	43	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-56	-50.7	173.3	-73.8	172.2	-167.4	0	0	111.1	Q152 F154 C159 Q160 I173	Q152-E156 PolarHBondContact NE2-OE1 3.06Å; Q152-E156 WeakPolarHBondContact O-CG 3.26Å; Q152-E156 PolarHBondContact O-N 2.91Å; F154-E156 PolarHBondContact O-N 3.2Å; E156-C159 PolarHBondContact O-N 3.12Å; E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 2.69Å; E156-Q160 VanDerWaalsContact O-N 3.13Å; E156-I173 HydrophobicContact CG-CD1 4.28Å; E156-I173 HydrophobicContact CG-CG2 4.21Å
157	R	96.8	Very high	88.8	Confident	35 Å²	35	43.8 Å²	43.8	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-44.2	-180	179.2	60.3	174.1	158.2	-0.2	112.5	A117 Q118 M122 A153 F154 C159 Q160 C161	A117-R157 HydrophobicContact CB-CB 3.81Å; A117-R157 HydrophobicContact CB-CG 3.96Å; A117-R157 VanDerWaalsContact O-CG 3.32Å; A117-R157 WeakPolarHBondContact O-CG 3.37Å; A117-R157 PolarHBondContact O-NE 2.7Å; A117-R157 VanDerWaalsContact O-NE 3.12Å; Q118-R157 PolarHBondContact O-NH2 3.41Å; M122-R157 HydrophobicContact CE-CG 4.12Å; M122-R157 HydrophobicContact SD-CG 4.02Å; A153-R157 WeakPolarHBondContact O-CB 3.43Å; A153-R157 PolarHBondContact O-N 3.38Å; A153-R157 VanDerWaalsContact O-N 3.15Å; F154-R157 PolarHBondContact O-N 3.11Å; R157-C159 VanDerWaalsContact C-N 3.29Å; R157-C159 PolarHBondContact O-N 2.74Å; R157-Q160 WeakPolarHBondContact O-CB 3.45Å; R157-Q160 PolarHBondContact O-N 2.67Å; R157-Q160 VanDerWaalsContact O-N 3.16Å; R157-C161 PolarHBondContact NE-SG 3.36Å; R157-C161 VanDerWaalsContact NE-SG 3.39Å; R157-C161 PolarHBondContact O-N 2.8Å; R157-C161 PolarHBondContact O-SG 2.75Å; R157-C161 VanDerWaalsContact O-SG 3.39Å
158	Y	96.1	Very high	87.7	Confident	34 Å²	34	46.5 Å²	46.5	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-42.9	-179.6	-178	-98	0	0	0	111.2	M122 L125 L127 A130 F154 A155 C161 N162 V176	M122-Y158 HydrophobicContact CB-CD2 4.48Å; L125-Y158 VanDerWaalsContact O-CE2 3.3Å; L125-Y158 WeakPolarHBondContact O-CE2 3.38Å; L125-Y158 PolarHBondContact O-OH 3.02Å; L127-Y158 HydrophobicContact CB-CE1 4.22Å; L127-Y158 HydrophobicContact CB-CE2 4.32Å; L127-Y158 HydrophobicContact CD1-CD1 4.22Å; L127-Y158 HydrophobicContact CD1-CE1 3.99Å; L127-Y158 HydrophobicContact CG-CE1 4.33Å; L127-Y158 PolarHBondContact N-OH 3.46Å; A130-Y158 HydrophobicContact CB-CD2 3.55Å; A130-Y158 HydrophobicContact CB-CE2 3.61Å; F154-Y158 HydrophobicContact CZ-CD2 4.21Å; F154-Y158 HydrophobicContact CZ-CG 4.35Å; F154-Y158 WeakPolarHBondContact O-CB 3.48Å; F154-Y158 PolarHBondContact O-N 3.45Å; A155-Y158 PolarHBondContact O-N 3.04Å; Y158-C161 PolarHBondContact O-N 3.15Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.37Å; Y158-N162 HydrophobicContact CE1-CB 4.45Å; Y158-N162 VanDerWaalsContact CE2-ND2 3.32Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.47Å; Y158-N162 WeakPolarHBondContact O-CB 3.34Å; Y158-N162 PolarHBondContact O-N 3.06Å; Y158-N162 PolarHBondContact O-ND2 3.37Å; Y158-N162 VanDerWaalsContact O-ND2 3.08Å; Y158-V176 HydrophobicContact CD1-CG1 3.86Å; Y158-V176 HydrophobicContact CD1-CG2 4Å; Y158-V176 HydrophobicContact CE1-CG2 4.36Å; Y158-V176 HydrophobicContact CG-CG1 4.39Å
159	C	94.2	Very high	87.1	Confident	10 Å²	10	45.5 Å²	45.5	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-33	176.8	-80.7	0	0	0	0	113.6	A155 E156 R157 N162 R172 I173	A155-C159 WeakPolarHBondContact O-CB 3.24Å; A155-C159 PolarHBondContact O-N 3.22Å; E156-C159 PolarHBondContact O-N 3.12Å; R157-C159 VanDerWaalsContact C-N 3.29Å; R157-C159 PolarHBondContact O-N 2.74Å; C159-N162 CarbonylContact O-C 3.46Å; C159-R172 PolarHBondContact O-NH2 2.91Å; C159-I173 HydrophobicContact CB-CG1 4.04Å
160	Q	93.8	Very high	86.7	Confident	113 Å²	113	47.2 Å²	47.2	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-41.7	172.8	-70.8	166.7	14.2	0	0	112	E156 R157	E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 2.69Å; E156-Q160 VanDerWaalsContact O-N 3.13Å; R157-Q160 WeakPolarHBondContact O-CB 3.45Å; R157-Q160 PolarHBondContact O-N 2.67Å; R157-Q160 VanDerWaalsContact O-N 3.16Å
161	C	94.1	Very high	86.2	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-74	-30.5	178.6	-64.1	0	0	0	0	112.9	M122 Y123 R157 Y158 P163	M122-C161 HydrophobicContact CB-CB 4.15Å; Y123-C161 HydrophobicContact CD1-CB 4.01Å; Y123-C161 WeakPolarHBondContact CD1-O 3.4Å; Y123-C161 HydrophobicContact CD2-CB 4.27Å; Y123-C161 HydrophobicContact CE1-CB 4.11Å; Y123-C161 HydrophobicContact CE2-CB 4.37Å; Y123-C161 HydrophobicContact CG-CB 4.08Å; R157-C161 PolarHBondContact NE-SG 3.36Å; R157-C161 VanDerWaalsContact NE-SG 3.39Å; R157-C161 PolarHBondContact O-N 2.8Å; R157-C161 PolarHBondContact O-SG 2.75Å; R157-C161 VanDerWaalsContact O-SG 3.39Å; Y158-C161 PolarHBondContact O-N 3.15Å; C161-P163 VanDerWaalsContact O-CD 3.24Å; C161-P163 WeakPolarHBondContact O-CD 3.11Å
162	N	91.1	Very high	85.7	Confident	31 Å²	31	51.9 Å²	51.9	17%	0.166	33%	0.332	C	S	.	.	S	Bend	trans	-120.8	71.2	-175.7	-57.9	-74.7	0	0	0	110.3	M122 T124 Y158 C159 A164 R172	M122-N162 PolarHBondContact O-ND2 2.93Å; M122-N162 PolarHBondContact O-OD1 3.44Å; T124-N162 WeakPolarHBondContact CA-OD1 3.34Å; T124-N162 PolarHBondContact N-OD1 3.37Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.37Å; Y158-N162 HydrophobicContact CE1-CB 4.45Å; Y158-N162 VanDerWaalsContact CE2-ND2 3.32Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.47Å; Y158-N162 WeakPolarHBondContact O-CB 3.34Å; Y158-N162 PolarHBondContact O-N 3.06Å; Y158-N162 PolarHBondContact O-ND2 3.37Å; Y158-N162 VanDerWaalsContact O-ND2 3.08Å; C159-N162 CarbonylContact O-C 3.46Å; N162-A164 PolarHBondContact O-N 3.48Å; N162-R172 PolarHBondContact O-NH2 2.77Å
163	P	84.9	Confident	85.5	Confident	105 Å²	105	50.1 Å²	50.1	68%	0.682	32%	0.324	S	S	*	.			trans	-66	120.4	176.1	27.8	-33.1	0	0	0	110	C161	C161-P163 VanDerWaalsContact O-CD 3.24Å; C161-P163 WeakPolarHBondContact O-CD 3.11Å
164	A	73.9	Confident	85.3	Confident	52 Å²	52	52.7 Å²	52.7	43%	0.43	34%	0.337	S	S	.	.			trans	-99.8	140.5	171.8	0	0	0	0	0	110.6	N162 A166 R172	N162-A164 PolarHBondContact O-N 3.48Å; A164-A166 PolarHBondContact O-N 2.89Å; A164-A166 VanDerWaalsContact O-N 3.1Å; A164-R172 PolarHBondContact O-NH1 3.08Å
165	G	57.9	Low	84.9	Confident	91 Å²	91	53 Å²	53	94%	0.938	34%	0.339	S	S	*	.	S	Bend	trans	-82.4	77.1	-177.1	0	0	0	0	0	113.4
166	A	55.6	Low	84.8	Confident	83 Å²	83	53.4 Å²	53.4	69%	0.686	34%	0.341	S	S	*	.	S	Bend	trans	152.8	142.1	155	0	0	0	0	0	110.5	A164	A164-A166 PolarHBondContact O-N 2.89Å; A164-A166 VanDerWaalsContact O-N 3.1Å
167	G	61.6	Low	84.7	Confident	63 Å²	63	51.7 Å²	51.7	65%	0.649	33%	0.333	S	S	*	.	S	Bend	trans	112.4	152.4	177.8	0	0	0	0	0	114.2
168	S	71.4	Confident	84.6	Confident	77 Å²	77	50.8 Å²	50.8	54%	0.538	33%	0.332	S	S	.	.			trans	-66	143.8	175.6	70.7	0	0	0	0	110	Q170 K171 R172	S168-Q170 PolarHBondContact O-N 3.31Å; S168-Q170 VanDerWaalsContact O-N 3.17Å; S168-K171 PolarHBondContact O-N 3.26Å; S168-K171 PolarHBondContact OG-N 2.97Å; S168-R172 PolarHBondContact O-N 2.75Å
169	S	82.1	Confident	84.5	Confident	82 Å²	82	49.8 Å²	49.8	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-56.3	-35.2	-178.7	-168.3	0	0	0	0	112.1	I173	S169-I173 WeakPolarHBondContact O-CD1 3.42Å; S169-I173 WeakPolarHBondContact O-CG1 3.26Å; S169-I173 PolarHBondContact O-N 3.24Å
170	Q	88	Confident	84.6	Confident	102 Å²	102	49.3 Å²	49.3	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-70.5	-47.8	-177.6	-171.3	59.1	44.3	0	0	112.9	S168 R172 I173 D174	S168-Q170 PolarHBondContact O-N 3.31Å; S168-Q170 VanDerWaalsContact O-N 3.17Å; Q170-R172 PolarHBondContact O-N 2.72Å; Q170-I173 PolarHBondContact O-N 2.89Å; Q170-D174 PolarHBondContact NE2-OD1 2.88Å; Q170-D174 PolarHBondContact O-N 3.49Å
171	K	86.5	Confident	84.6	Confident	71 Å²	71	45.2 Å²	45.2	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-37.6	-180	-178	173.6	176.1	174	0	111.1	S168 D174 T175 D214 E215	S168-K171 PolarHBondContact O-N 3.26Å; S168-K171 PolarHBondContact OG-N 2.97Å; K171-D174 PolarHBondContact O-N 3.33Å; K171-T175 PolarHBondContact O-N 3.2Å; K171-T175 PolarHBondContact O-OG1 3.26Å; K171-T175 VanDerWaalsContact O-OG1 3.09Å; K171-D214 WeakPolarHBondContact CE-OD1 3.21Å; K171-E215 IonicContact NZ-OE1 3.55Å; K171-E215 IonicContact NZ-OE2 3.86Å; K171-E215 PolarHBondContact NZ-OE2 2.97Å
172	R	87.3	Confident	84.7	Confident	27 Å²	27	45.4 Å²	45.4	10%	0.102	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.8	-67.2	-179.5	49.2	-151.2	-16.9	112.4	C159 N162 A164 S168 Q170 D174 T175 V176 M218	C159-R172 PolarHBondContact O-NH2 2.91Å; N162-R172 PolarHBondContact O-NH2 2.77Å; A164-R172 PolarHBondContact O-NH1 3.08Å; S168-R172 PolarHBondContact O-N 2.75Å; Q170-R172 PolarHBondContact O-N 2.72Å; R172-D174 VanDerWaalsContact C-N 3.32Å; R172-D174 PolarHBondContact O-N 3.33Å; R172-T175 PolarHBondContact O-N 2.79Å; R172-V176 WeakPolarHBondContact O-CG2 3.36Å; R172-V176 PolarHBondContact O-N 2.96Å; R172-M218 HydrophobicContact CB-CE 4.16Å; R172-M218 HydrophobicContact CB-SD 4.24Å; R172-M218 HydrophobicContact CG-CE 4Å; R172-M218 HydrophobicContact CG-SD 3.7Å
173	I	92.9	Very high	84.9	Confident	16 Å²	16	44 Å²	44	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-44.8	177	-68.2	164.2	0	0	0	109.9	A155 E156 C159 S169 Q170 T175 V176 F177	A155-I173 HydrophobicContact CB-CG2 4.12Å; E156-I173 HydrophobicContact CG-CD1 4.28Å; E156-I173 HydrophobicContact CG-CG2 4.21Å; C159-I173 HydrophobicContact CB-CG1 4.04Å; S169-I173 WeakPolarHBondContact O-CD1 3.42Å; S169-I173 WeakPolarHBondContact O-CG1 3.26Å; S169-I173 PolarHBondContact O-N 3.24Å; Q170-I173 PolarHBondContact O-N 2.89Å; I173-T175 PolarHBondContact O-N 3.32Å; I173-V176 PolarHBondContact O-N 3.14Å; I173-F177 VanDerWaalsContact O-CB 3.26Å; I173-F177 WeakPolarHBondContact O-CB 3.33Å; I173-F177 PolarHBondContact O-N 2.86Å
174	D	91.7	Very high	85.4	Confident	60 Å²	60	39.8 Å²	39.8	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-43.6	178.9	-62.2	-21.9	0	0	0	111.8	Q170 K171 R172 F177 V178	Q170-D174 PolarHBondContact NE2-OD1 2.88Å; Q170-D174 PolarHBondContact O-N 3.49Å; K171-D174 PolarHBondContact O-N 3.33Å; R172-D174 VanDerWaalsContact C-N 3.32Å; R172-D174 PolarHBondContact O-N 3.33Å; D174-F177 WeakPolarHBondContact O-CB 3.29Å; D174-F177 PolarHBondContact O-N 3.39Å; D174-V178 WeakPolarHBondContact O-CG2 3.45Å; D174-V178 PolarHBondContact O-N 3.24Å
175	T	91	Very high	86.3	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-47.9	175.4	-65.2	0	0	0	0	111.6	K171 R172 I173 F177 V178 L179 L213 D214 M218 I219	K171-T175 PolarHBondContact O-N 3.2Å; K171-T175 PolarHBondContact O-OG1 3.26Å; K171-T175 VanDerWaalsContact O-OG1 3.09Å; R172-T175 PolarHBondContact O-N 2.79Å; I173-T175 PolarHBondContact O-N 3.32Å; T175-F177 VanDerWaalsContact C-N 3.34Å; T175-F177 PolarHBondContact O-N 2.8Å; T175-V178 PolarHBondContact O-N 2.87Å; T175-L179 WeakPolarHBondContact O-CB 3.49Å; T175-L179 PolarHBondContact O-N 3.5Å; T175-L213 HydrophobicContact CG2-CD2 4.42Å; T175-L213 HydrophobicContact CG2-CG 4.33Å; T175-D214 HydrophobicContact CG2-CB 3.83Å; T175-M218 HydrophobicContact CG2-SD 4.47Å; T175-I219 HydrophobicContact CG2-CD1 3.78Å; T175-I219 HydrophobicContact CG2-CG1 4.21Å
176	V	93.6	Very high	88.1	Confident	8 Å²	8	36.4 Å²	36.4	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-41.3	178.3	165.2	0	0	0	0	111.3	L127 F154 A155 Y158 R172 I173 L179 A180	L127-V176 HydrophobicContact CD1-CB 4.16Å; L127-V176 HydrophobicContact CD1-CG1 3.7Å; L127-V176 HydrophobicContact CD1-CG2 4.02Å; F154-V176 HydrophobicContact CE1-CG1 4.49Å; A155-V176 HydrophobicContact CB-CB 4.25Å; A155-V176 HydrophobicContact CB-CG1 3.67Å; Y158-V176 HydrophobicContact CD1-CG1 3.86Å; Y158-V176 HydrophobicContact CD1-CG2 4Å; Y158-V176 HydrophobicContact CE1-CG2 4.36Å; Y158-V176 HydrophobicContact CG-CG1 4.39Å; R172-V176 WeakPolarHBondContact O-CG2 3.36Å; R172-V176 PolarHBondContact O-N 2.96Å; I173-V176 PolarHBondContact O-N 3.14Å; V176-L179 PolarHBondContact O-N 3.32Å; V176-A180 WeakPolarHBondContact O-CB 3.29Å; V176-A180 PolarHBondContact O-N 2.77Å
177	F	95	Very high	90	Very high	14 Å²	14	32.5 Å²	32.5	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-51.3	176.7	174.2	-86.3	0	0	0	111.4	E148 I151 Q152 A155 I173 D174 T175 L179 A180 F181	E148-F177 HydrophobicContact CB-CZ 4.45Å; E148-F177 HydrophobicContact CG-CE2 4.06Å; E148-F177 HydrophobicContact CG-CZ 3.86Å; I151-F177 HydrophobicContact CB-CD2 4.33Å; I151-F177 HydrophobicContact CB-CE2 4.29Å; I151-F177 HydrophobicContact CG2-CD2 3.83Å; I151-F177 HydrophobicContact CG2-CE2 4.21Å; I151-F177 HydrophobicContact CG2-CG 4.37Å; Q152-F177 HydrophobicContact CB-CD2 4.35Å; Q152-F177 HydrophobicContact CB-CE2 4.24Å; A155-F177 HydrophobicContact CB-CB 4.05Å; I173-F177 VanDerWaalsContact O-CB 3.26Å; I173-F177 WeakPolarHBondContact O-CB 3.33Å; I173-F177 PolarHBondContact O-N 2.86Å; D174-F177 WeakPolarHBondContact O-CB 3.29Å; D174-F177 PolarHBondContact O-N 3.39Å; T175-F177 VanDerWaalsContact C-N 3.34Å; T175-F177 PolarHBondContact O-N 2.8Å; F177-L179 VanDerWaalsContact C-N 3.34Å; F177-L179 PolarHBondContact O-N 2.96Å; F177-A180 PolarHBondContact O-N 2.89Å; F177-F181 HydrophobicContact CD1-CD2 4.11Å; F177-F181 HydrophobicContact CD1-CE2 4.35Å; F177-F181 HydrophobicContact CD2-CE2 4.32Å; F177-F181 AromaticContact CE1-CD2 3.75Å; F177-F181 HydrophobicContact CE1-CD2 3.75Å; F177-F181 AromaticContact CE1-CE2 3.65Å; F177-F181 HydrophobicContact CE1-CE2 3.65Å; F177-F181 HydrophobicContact CE2-CD2 4.27Å; F177-F181 AromaticContact CE2-CE2 3.65Å; F177-F181 HydrophobicContact CE2-CE2 3.65Å; F177-F181 AromaticContact CZ-CD2 3.86Å; F177-F181 HydrophobicContact CZ-CD2 3.86Å; F177-F181 AromaticContact CZ-CE2 3.27Å; F177-F181 HydrophobicContact CZ-CE2 3.27Å; F177-F181 HydrophobicContact CZ-CZ 4.24Å; F177-F181 WeakPolarHBondContact O-CD2 3.34Å; F177-F181 PolarHBondContact O-N 2.84Å; F177-F181 VanDerWaalsContact O-N 3.13Å
178	V	93.9	Very high	91.5	Very high	17 Å²	17	32 Å²	32	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-40.3	179.5	176.5	0	0	0	0	111.2	D174 T175 F181 A182 L213 V438 M442	D174-V178 WeakPolarHBondContact O-CG2 3.45Å; D174-V178 PolarHBondContact O-N 3.24Å; T175-V178 PolarHBondContact O-N 2.87Å; V178-F181 PolarHBondContact O-N 2.96Å; V178-A182 PolarHBondContact O-N 2.82Å; V178-L213 HydrophobicContact CB-CD1 3.77Å; V178-L213 HydrophobicContact CB-CD2 4.1Å; V178-L213 HydrophobicContact CG1-CD1 3.55Å; V178-L213 HydrophobicContact CG1-CD2 3.89Å; V178-L213 HydrophobicContact CG1-CG 4.4Å; V178-L213 HydrophobicContact CG2-CD1 4.18Å; V178-V438 HydrophobicContact CG1-CG1 4.2Å; V178-M442 HydrophobicContact CG1-CE 4.45Å
179	L	94.1	Very high	92.7	Very high	13 Å²	13	29.9 Å²	29.9	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-40.2	178.1	-175.4	56.3	0	0	0	112.2	L127 T175 V176 F177 F181 A182 I183 L210 L213 I219 L224	L127-L179 HydrophobicContact CD1-CB 4.47Å; L127-L179 HydrophobicContact CD1-CD2 4.01Å; L127-L179 HydrophobicContact CD1-CG 4.33Å; L127-L179 HydrophobicContact CD2-CD2 4.5Å; L127-L179 HydrophobicContact CD2-CG 4.19Å; T175-L179 WeakPolarHBondContact O-CB 3.49Å; T175-L179 PolarHBondContact O-N 3.5Å; V176-L179 PolarHBondContact O-N 3.32Å; F177-L179 VanDerWaalsContact C-N 3.34Å; F177-L179 PolarHBondContact O-N 2.96Å; L179-F181 PolarHBondContact O-N 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.35Å; L179-A182 PolarHBondContact O-N 2.99Å; L179-I183 HydrophobicContact CG-CD1 4.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.27Å; L179-I183 PolarHBondContact O-N 2.84Å; L179-L210 HydrophobicContact CD1-CD1 3.63Å; L179-L210 HydrophobicContact CD1-CD2 4.38Å; L179-L213 HydrophobicContact CB-CD2 4.41Å; L179-I219 HydrophobicContact CD2-CD1 4.17Å; L179-L224 HydrophobicContact CD1-CD2 3.84Å
180	A	96.1	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-42	175.2	0	0	0	0	0	111.9	L127 L131 I151 F154 V176 F177 I183 I184	L127-A180 HydrophobicContact CD2-CB 4.33Å; L131-A180 HydrophobicContact CD2-CB 4.24Å; I151-A180 HydrophobicContact CG2-CB 3.72Å; F154-A180 HydrophobicContact CD1-CB 4.08Å; F154-A180 HydrophobicContact CE1-CB 4Å; V176-A180 WeakPolarHBondContact O-CB 3.29Å; V176-A180 PolarHBondContact O-N 2.77Å; F177-A180 PolarHBondContact O-N 2.89Å; A180-I183 PolarHBondContact O-N 3.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.48Å; A180-I184 PolarHBondContact O-N 3.22Å; A180-I184 VanDerWaalsContact O-N 3.09Å
181	F	94.5	Very high	93.7	Very high	27 Å²	27	23.8 Å²	23.8	12%	0.118	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-43.9	172.2	-94.9	-79.7	0	0	0	112.5	I147 E148 I151 F177 V178 L179 I183 I184 M185 M442	I147-F181 HydrophobicContact CB-CE1 4.46Å; I147-F181 HydrophobicContact CB-CZ 4.44Å; I147-F181 HydrophobicContact CG2-CD1 4.5Å; I147-F181 HydrophobicContact CG2-CE1 3.53Å; I147-F181 HydrophobicContact CG2-CZ 3.65Å; E148-F181 HydrophobicContact CB-CZ 4.34Å; I151-F181 HydrophobicContact CB-CD2 4.24Å; I151-F181 HydrophobicContact CB-CE2 3.78Å; I151-F181 HydrophobicContact CB-CZ 4.43Å; I151-F181 HydrophobicContact CG1-CD2 4.4Å; I151-F181 HydrophobicContact CG1-CE2 4.01Å; I151-F181 HydrophobicContact CG1-CZ 4.26Å; I151-F181 HydrophobicContact CG2-CD2 3.8Å; I151-F181 HydrophobicContact CG2-CE2 3.84Å; F177-F181 HydrophobicContact CD1-CD2 4.11Å; F177-F181 HydrophobicContact CD1-CE2 4.35Å; F177-F181 HydrophobicContact CD2-CE2 4.32Å; F177-F181 AromaticContact CE1-CD2 3.75Å; F177-F181 HydrophobicContact CE1-CD2 3.75Å; F177-F181 AromaticContact CE1-CE2 3.65Å; F177-F181 HydrophobicContact CE1-CE2 3.65Å; F177-F181 HydrophobicContact CE2-CD2 4.27Å; F177-F181 AromaticContact CE2-CE2 3.65Å; F177-F181 HydrophobicContact CE2-CE2 3.65Å; F177-F181 AromaticContact CZ-CD2 3.86Å; F177-F181 HydrophobicContact CZ-CD2 3.86Å; F177-F181 AromaticContact CZ-CE2 3.27Å; F177-F181 HydrophobicContact CZ-CE2 3.27Å; F177-F181 HydrophobicContact CZ-CZ 4.24Å; F177-F181 WeakPolarHBondContact O-CD2 3.34Å; F177-F181 PolarHBondContact O-N 2.84Å; F177-F181 VanDerWaalsContact O-N 3.13Å; V178-F181 PolarHBondContact O-N 2.96Å; L179-F181 PolarHBondContact O-N 3.29Å; F181-I183 VanDerWaalsContact C-N 3.26Å; F181-I183 PolarHBondContact O-N 2.8Å; F181-I184 PolarHBondContact O-N 2.77Å; F181-M185 WeakPolarHBondContact O-CG 3.46Å; F181-M185 PolarHBondContact O-N 3.38Å; F181-M442 HydrophobicContact CB-CE 3.55Å; F181-M442 HydrophobicContact CB-SD 4.32Å; F181-M442 HydrophobicContact CG-CE 4.28Å; F181-M442 HydrophobicContact CG-SD 4.45Å
182	A	95	Very high	94	Very high	8 Å²	8	21.2 Å²	21.2	7%	0.066	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-38.6	177.4	0	0	0	0	0	112.1	V178 L179 M185 L186 F206 L210	V178-A182 PolarHBondContact O-N 2.82Å; L179-A182 WeakPolarHBondContact O-CB 3.35Å; L179-A182 PolarHBondContact O-N 2.99Å; A182-M185 PolarHBondContact O-N 2.78Å; A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.36Å; A182-L186 PolarHBondContact O-N 3.12Å; A182-F206 HydrophobicContact CB-CE2 4.14Å; A182-L210 HydrophobicContact CB-CD1 4.31Å; A182-L210 HydrophobicContact CB-CD2 3.72Å; A182-L210 HydrophobicContact CB-CG 4.43Å
183	I	96.1	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-41.1	175.2	-72.5	163.9	0	0	0	112	L127 D128 L131 L179 A180 F181 L186 N187 F206 I227 I231 F236	L127-I183 HydrophobicContact CD2-CD1 3.19Å; D128-I183 HydrophobicContact CB-CD1 4.18Å; D128-I183 HydrophobicContact CB-CG2 4.47Å; L131-I183 HydrophobicContact CD2-CB 4.35Å; L131-I183 HydrophobicContact CD2-CG2 3.94Å; L179-I183 HydrophobicContact CG-CD1 4.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.27Å; L179-I183 PolarHBondContact O-N 2.84Å; A180-I183 PolarHBondContact O-N 3.26Å; F181-I183 VanDerWaalsContact C-N 3.26Å; F181-I183 PolarHBondContact O-N 2.8Å; I183-L186 PolarHBondContact O-N 3.04Å; I183-N187 WeakPolarHBondContact O-CB 3.38Å; I183-N187 PolarHBondContact O-N 3.37Å; I183-F206 HydrophobicContact CG1-CZ 4.43Å; I183-I227 HydrophobicContact CD1-CD1 4.41Å; I183-I227 HydrophobicContact CD1-CG2 3.84Å; I183-I227 HydrophobicContact CG1-CG2 3.68Å; I183-I231 HydrophobicContact CG2-CD1 4.09Å; I183-I231 HydrophobicContact CG2-CG1 4.15Å; I183-F236 HydrophobicContact CG2-CE2 3.44Å; I183-F236 VanDerWaalsContact CG2-CE2 3.44Å; I183-F236 HydrophobicContact CG2-CZ 3.72Å
184	I	94.6	Very high	94.1	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.092	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-41.2	176.8	-69.2	164.9	0	0	0	111.1	L131 L135 L140 I151 A180 F181 N187 T188	L131-I184 HydrophobicContact CD2-CD1 4.33Å; L131-I184 HydrophobicContact CD2-CG1 4.11Å; L135-I184 HydrophobicContact CD1-CD1 4.49Å; L140-I184 HydrophobicContact CD2-CD1 3.94Å; L140-I184 HydrophobicContact CD2-CG2 4.29Å; I151-I184 HydrophobicContact CD1-CD1 3.38Å; I151-I184 HydrophobicContact CG1-CD1 4.07Å; A180-I184 WeakPolarHBondContact O-CG1 3.48Å; A180-I184 PolarHBondContact O-N 3.22Å; A180-I184 VanDerWaalsContact O-N 3.09Å; F181-I184 PolarHBondContact O-N 2.77Å; I184-N187 PolarHBondContact O-N 3.03Å; I184-T188 PolarHBondContact O-N 3.41Å; I184-T188 VanDerWaalsContact O-N 3.08Å; I184-T188 PolarHBondContact O-OG1 3.03Å
185	M	93.4	Very high	94.1	Very high	71 Å²	71	30 Å²	30	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-44.8	174.3	-70.7	-170.3	-61.7	0	0	111.2	F181 A182 N187 T188 D189 M442	F181-M185 WeakPolarHBondContact O-CG 3.46Å; F181-M185 PolarHBondContact O-N 3.38Å; A182-M185 PolarHBondContact O-N 2.78Å; M185-N187 VanDerWaalsContact C-N 3.33Å; M185-N187 PolarHBondContact O-N 3.4Å; M185-T188 PolarHBondContact O-N 3.21Å; M185-D189 WeakPolarHBondContact O-CB 3.4Å; M185-D189 PolarHBondContact O-N 2.97Å; M185-M442 HydrophobicContact CE-CE 3.48Å; M185-M442 VanDerWaalsContact CE-CE 3.48Å; M185-M442 HydrophobicContact CE-CG 4.33Å; M185-M442 HydrophobicContact SD-CE 4.49Å; M185-M442 HydrophobicContact SD-CG 4.27Å
186	L	96.5	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-44.9	175.5	179.6	67.3	0	0	0	111.5	A182 I183 T188 D189 L190 M201 F206 Y228 I231	A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.36Å; A182-L186 PolarHBondContact O-N 3.12Å; I183-L186 PolarHBondContact O-N 3.04Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.9Å; L186-D189 PolarHBondContact O-N 2.81Å; L186-L190 HydrophobicContact CD1-CD1 3.74Å; L186-L190 HydrophobicContact CD1-CD2 4.38Å; L186-L190 HydrophobicContact CD1-CG 3.81Å; L186-L190 HydrophobicContact CD2-CD1 4.32Å; L186-L190 HydrophobicContact CG-CD1 3.78Å; L186-L190 HydrophobicContact CG-CG 4.16Å; L186-L190 WeakPolarHBondContact O-CB 3.04Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3Å; L186-M201 HydrophobicContact CD1-CB 4.32Å; L186-M201 HydrophobicContact CD1-CG 4.41Å; L186-M201 HydrophobicContact CD1-SD 3.95Å; L186-F206 HydrophobicContact CB-CD2 4.27Å; L186-F206 HydrophobicContact CB-CE2 4.09Å; L186-F206 HydrophobicContact CD1-CD2 4.16Å; L186-F206 HydrophobicContact CD2-CD1 4.4Å; L186-F206 HydrophobicContact CD2-CD2 3.97Å; L186-F206 HydrophobicContact CD2-CE1 4.31Å; L186-F206 HydrophobicContact CD2-CE2 3.88Å; L186-F206 HydrophobicContact CD2-CG 4.24Å; L186-F206 HydrophobicContact CD2-CZ 4.05Å; L186-F206 HydrophobicContact CG-CD2 4.36Å; L186-F206 HydrophobicContact CG-CE2 4.44Å; L186-Y228 HydrophobicContact CD1-CD2 3.75Å; L186-Y228 HydrophobicContact CD1-CE2 3.71Å; L186-Y228 HydrophobicContact CD2-CD2 3.69Å; L186-Y228 HydrophobicContact CD2-CE2 4.45Å; L186-Y228 HydrophobicContact CD2-CG 4.33Å; L186-Y228 HydrophobicContact CG-CD2 4.34Å; L186-I231 HydrophobicContact CD2-CB 4.17Å; L186-I231 HydrophobicContact CD2-CG1 4.39Å; L186-I231 HydrophobicContact CD2-CG2 4.29Å; L186-I231 HydrophobicContact CG-CG2 4.27Å
187	N	95.8	Very high	94	Very high	2 Å²	2	40 Å²	40	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-45.4	176.7	179.7	81.4	0	0	0	112	I183 I184 M185 L190 H191 I231 F236	I183-N187 WeakPolarHBondContact O-CB 3.38Å; I183-N187 PolarHBondContact O-N 3.37Å; I184-N187 PolarHBondContact O-N 3.03Å; M185-N187 VanDerWaalsContact C-N 3.33Å; M185-N187 PolarHBondContact O-N 3.4Å; N187-L190 PolarHBondContact O-N 2.78Å; N187-H191 WeakPolarHBondContact O-CB 3.38Å; N187-H191 PolarHBondContact O-CD2 2.83Å; N187-H191 PolarHBondContact O-N 2.81Å; N187-H191 PolarHBondContact OD1-CD2 3.41Å; N187-I231 HydrophobicContact CB-CG2 3.99Å; N187-F236 HydrophobicContact CB-CD2 3.83Å; N187-F236 PolarHBondContact OD1-N 2.93Å
188	T	92.6	Very high	93.9	Very high	51 Å²	51	46 Å²	46	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-43.9	179.2	-55.7	0	0	0	0	110.8	I184 M185 L186 S192	I184-T188 PolarHBondContact O-N 3.41Å; I184-T188 VanDerWaalsContact O-N 3.08Å; I184-T188 PolarHBondContact O-OG1 3.03Å; M185-T188 PolarHBondContact O-N 3.21Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.9Å; T188-S192 WeakPolarHBondContact O-CB 3.3Å; T188-S192 PolarHBondContact O-N 3.04Å
189	D	95.5	Very high	93.8	Very high	34 Å²	34	52.8 Å²	52.8	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-47.6	177.6	-177.5	-86.3	0	0	0	112.3	M185 L186 V195 R200 M201	M185-D189 WeakPolarHBondContact O-CB 3.4Å; M185-D189 PolarHBondContact O-N 2.97Å; L186-D189 PolarHBondContact O-N 2.81Å; D189-V195 WeakPolarHBondContact O-CB 3.3Å; D189-R200 WeakPolarHBondContact OD1-CA 3.22Å; D189-R200 WeakPolarHBondContact OD1-CB 3.32Å; D189-M201 WeakPolarHBondContact OD1-CB 3.43Å; D189-M201 PolarHBondContact OD1-N 3.47Å
190	L	96.7	Very high	93.8	Very high	10 Å²	10	56 Å²	56	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-72.8	-30.5	-175.6	-68.9	-176.5	0	0	0	114	L186 N187 R200 Y228 I231 K232	L186-L190 HydrophobicContact CD1-CD1 3.74Å; L186-L190 HydrophobicContact CD1-CD2 4.38Å; L186-L190 HydrophobicContact CD1-CG 3.81Å; L186-L190 HydrophobicContact CD2-CD1 4.32Å; L186-L190 HydrophobicContact CG-CD1 3.78Å; L186-L190 HydrophobicContact CG-CG 4.16Å; L186-L190 WeakPolarHBondContact O-CB 3.04Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3Å; N187-L190 PolarHBondContact O-N 2.78Å; L190-R200 HydrophobicContact CD2-CB 4.22Å; L190-R200 PolarHBondContact O-NE 3.34Å; L190-R200 PolarHBondContact O-NH1 3.17Å; L190-R200 PolarHBondContact O-NH2 3.05Å; L190-Y228 HydrophobicContact CD1-CE2 4.34Å; L190-I231 HydrophobicContact CD1-CG2 4.2Å; L190-K232 HydrophobicContact CD1-CB 3.87Å; L190-K232 HydrophobicContact CD1-CG 4.48Å
191	H	95.2	Very high	93.8	Very high	45 Å²	45	57.9 Å²	57.9	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-114.6	-15.4	-170.8	-63.6	-68.2	0	0	0	114.9	N187 I231 K232 E235	N187-H191 WeakPolarHBondContact O-CB 3.38Å; N187-H191 PolarHBondContact O-CD2 2.83Å; N187-H191 PolarHBondContact O-N 2.81Å; N187-H191 PolarHBondContact OD1-CD2 3.41Å; H191-I231 PolarHBondContact NE2-O 3.39Å; H191-K232 PolarHBondContact CE1-O 2.83Å; H191-E235 HydrophobicContact CB-CB 4.29Å; H191-E235 HydrophobicContact CB-CG 3.73Å; H191-E235 WeakPolarHBondContact NE2-CA 3.45Å
192	S	91.6	Very high	93.9	Very high	18 Å²	18	62.8 Å²	62.8	13%	0.126	32%	0.318	C	S	.	.			trans	-65.2	132.5	178.3	179.7	0	0	0	0	111.4	T188 N194 V195 R200	T188-S192 WeakPolarHBondContact O-CB 3.3Å; T188-S192 PolarHBondContact O-N 3.04Å; S192-N194 PolarHBondContact O-N 3.13Å; S192-N194 PolarHBondContact OG-N 3.18Å; S192-V195 PolarHBondContact O-N 2.96Å; S192-R200 PolarHBondContact O-NH2 2.76Å
193	P	91.5	Very high	93.9	Very high	113 Å²	113	64.3 Å²	64.3	73%	0.734	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.8	173.6	27.9	-34.5	0	0	0	112.6	V195	P193-V195 VanDerWaalsContact C-N 3.34Å
194	N	92	Very high	93.9	Very high	137 Å²	137	70.3 Å²	70.3	73%	0.733	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.1	179.6	-61.7	-30.1	0	0	0	112.7	S192	S192-N194 PolarHBondContact O-N 3.13Å; S192-N194 PolarHBondContact OG-N 3.18Å
195	V	90.9	Very high	93.9	Very high	36 Å²	36	72.6 Å²	72.6	22%	0.218	37%	0.366	C	S	.	.	S	Bend	trans	-96.8	111	177	-175	0	0	0	0	109.4	D189 S192 P193 R200	D189-V195 WeakPolarHBondContact O-CB 3.3Å; S192-V195 PolarHBondContact O-N 2.96Å; P193-V195 VanDerWaalsContact C-N 3.34Å; V195-R200 HydrophobicContact CB-CG 4.49Å; V195-R200 HydrophobicContact CG1-CG 3.71Å; V195-R200 PolarHBondContact O-NE 3.39Å
196	K	91.6	Very high	93.9	Very high	131 Å²	131	69.3 Å²	69.3	57%	0.57	35%	0.35	S	S	*	.			trans	-58.4	135.3	178.8	-63.2	-172.7	177.9	-177.4	0	110.1	Q198 K199 R200	K196-Q198 PolarHBondContact O-N 2.86Å; K196-K199 PolarHBondContact O-N 3.39Å; K196-R200 PolarHBondContact O-N 3.24Å
197	P	91.1	Very high	93.7	Very high	96 Å²	96	71.5 Å²	71.5	62%	0.623	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-50	-39.1	-174.5	-30.9	35.9	0	0	0	115.3	K199 R200	P197-K199 VanDerWaalsContact C-N 3.27Å; P197-K199 PolarHBondContact O-N 2.91Å; P197-R200 WeakPolarHBondContact O-CB 3.38Å; P197-R200 PolarHBondContact O-N 3.14Å
198	Q	92.2	Very high	93.5	Very high	140 Å²	140	78.3 Å²	78.3	65%	0.654	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-71.8	-16	179.7	70.2	-85.1	25.2	0	0	114.9	K196	K196-Q198 PolarHBondContact O-N 2.86Å
199	K	93	Very high	93.4	Very high	158 Å²	158	80.1 Å²	80.1	69%	0.687	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-98.8	-5	178.7	-68.7	-166.1	174.1	-168.8	0	112.9	K196 P197	K196-K199 PolarHBondContact O-N 3.39Å; P197-K199 VanDerWaalsContact C-N 3.27Å; P197-K199 PolarHBondContact O-N 2.91Å
200	R	94.6	Very high	93.2	Very high	80 Å²	80	79.2 Å²	79.2	30%	0.302	39%	0.393	S	S	.	.	S	Bend	trans	-64.9	140.9	179.8	-66.5	180	179	-173.8	-9.1	110.2	D189 L190 S192 V195 K196 P197 K202	D189-R200 WeakPolarHBondContact OD1-CA 3.22Å; D189-R200 WeakPolarHBondContact OD1-CB 3.32Å; L190-R200 HydrophobicContact CD2-CB 4.22Å; L190-R200 PolarHBondContact O-NE 3.34Å; L190-R200 PolarHBondContact O-NH1 3.17Å; L190-R200 PolarHBondContact O-NH2 3.05Å; S192-R200 PolarHBondContact O-NH2 2.76Å; V195-R200 HydrophobicContact CB-CG 4.49Å; V195-R200 HydrophobicContact CG1-CG 3.71Å; V195-R200 PolarHBondContact O-NE 3.39Å; K196-R200 PolarHBondContact O-N 3.24Å; P197-R200 WeakPolarHBondContact O-CB 3.38Å; P197-R200 PolarHBondContact O-N 3.14Å; R200-K202 PolarHBondContact O-N 3.41Å
201	M	95	Very high	92.6	Very high	41 Å²	41	88.5 Å²	88.5	20%	0.202	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-55	124	176.7	-173.1	-179.5	-57.2	0	0	109.6	L186 D189 D205 F206 Y228	L186-M201 HydrophobicContact CD1-CB 4.32Å; L186-M201 HydrophobicContact CD1-CG 4.41Å; L186-M201 HydrophobicContact CD1-SD 3.95Å; D189-M201 WeakPolarHBondContact OD1-CB 3.43Å; D189-M201 PolarHBondContact OD1-N 3.47Å; M201-D205 HydrophobicContact CG-CB 3.69Å; M201-F206 HydrophobicContact CG-CB 4.27Å; M201-F206 HydrophobicContact SD-CB 3.77Å; M201-F206 HydrophobicContact SD-CD2 3.81Å; M201-F206 HydrophobicContact SD-CG 4.29Å; M201-Y228 PolarHBondContact O-OH 3.46Å
202	K	96.5	Very high	91.9	Very high	129 Å²	129	89.1 Å²	89.1	56%	0.561	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-81.8	167.6	174.1	-57.7	178.3	-178.8	176.9	0	110.5	R200 E204 D205 F206	R200-K202 PolarHBondContact O-N 3.41Å; K202-E204 VanDerWaalsContact C-N 3.25Å; K202-E204 WeakPolarHBondContact CB-OE2 3.29Å; K202-E204 PolarHBondContact O-N 2.52Å; K202-D205 WeakPolarHBondContact CB-OD2 3.24Å; K202-D205 PolarHBondContact N-OD2 2.95Å; K202-D205 WeakPolarHBondContact O-CB 3.37Å; K202-D205 PolarHBondContact O-N 2.8Å; K202-D205 VanDerWaalsContact O-N 3.13Å; K202-F206 PolarHBondContact O-N 2.62Å
203	L	96.2	Very high	91.5	Very high	41 Å²	41	90.4 Å²	90.4	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-55.9	-44.1	177.2	170.8	58.5	0	0	0	111.3	D205 F206 I207 A225 Y228	L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 2.8Å; L203-F206 PolarHBondContact O-N 3.36Å; L203-I207 HydrophobicContact CD1-CD1 3.81Å; L203-I207 HydrophobicContact CD1-CG1 4.14Å; L203-I207 HydrophobicContact CG-CD1 4.1Å; L203-I207 WeakPolarHBondContact O-CG1 3.21Å; L203-I207 PolarHBondContact O-N 3.41Å; L203-A225 HydrophobicContact CD1-CB 3.94Å; L203-A225 HydrophobicContact CD2-CB 4.21Å; L203-Y228 HydrophobicContact CB-CD1 3.93Å; L203-Y228 HydrophobicContact CB-CE1 3.85Å; L203-Y228 HydrophobicContact CB-CE2 4.43Å; L203-Y228 HydrophobicContact CB-CG 4.27Å; L203-Y228 HydrophobicContact CD1-CD1 3.9Å; L203-Y228 HydrophobicContact CD1-CD2 4.34Å; L203-Y228 HydrophobicContact CD1-CG 3.73Å; L203-Y228 HydrophobicContact CG-CD1 4.43Å; L203-Y228 PolarHBondContact N-OH 2.97Å
204	E	94.6	Very high	90.7	Very high	125 Å²	125	85.4 Å²	85.4	58%	0.584	42%	0.418	S	S	*	.	H	α-helix	trans	-64.8	-38	-179.6	-57.9	78	-172.3	0	0	111.3	K202 K208	K202-E204 VanDerWaalsContact C-N 3.25Å; K202-E204 WeakPolarHBondContact CB-OE2 3.29Å; K202-E204 PolarHBondContact O-N 2.52Å; E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.04Å
205	D	95	Very high	89.5	Confident	66 Å²	66	84.4 Å²	84.4	35%	0.353	41%	0.409	S	S	.	.	H	α-helix	trans	-65.7	-44	175.7	-60.2	-43.1	0	0	0	110.5	M201 K202 L203 K208 N209	M201-D205 HydrophobicContact CG-CB 3.69Å; K202-D205 WeakPolarHBondContact CB-OD2 3.24Å; K202-D205 PolarHBondContact N-OD2 2.95Å; K202-D205 WeakPolarHBondContact O-CB 3.37Å; K202-D205 PolarHBondContact O-N 2.8Å; K202-D205 VanDerWaalsContact O-N 3.13Å; L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 2.8Å; D205-K208 PolarHBondContact O-N 2.98Å; D205-N209 WeakPolarHBondContact O-CB 3.32Å; D205-N209 PolarHBondContact O-N 2.8Å; D205-N209 PolarHBondContact O-ND2 3.07Å; D205-N209 VanDerWaalsContact O-ND2 3.16Å; D205-N209 PolarHBondContact O-OD1 3.01Å
206	F	94.5	Very high	88	Confident	3 Å²	3	85.8 Å²	85.8	1%	0.013	43%	0.431	C	S	.	.	H	α-helix	trans	-60.8	-48	177.5	-178.1	-113	0	0	0	112	A182 I183 L186 M201 K202 L203 K208 N209 L210 L224 I227 Y228	A182-F206 HydrophobicContact CB-CE2 4.14Å; I183-F206 HydrophobicContact CG1-CZ 4.43Å; L186-F206 HydrophobicContact CB-CD2 4.27Å; L186-F206 HydrophobicContact CB-CE2 4.09Å; L186-F206 HydrophobicContact CD1-CD2 4.16Å; L186-F206 HydrophobicContact CD2-CD1 4.4Å; L186-F206 HydrophobicContact CD2-CD2 3.97Å; L186-F206 HydrophobicContact CD2-CE1 4.31Å; L186-F206 HydrophobicContact CD2-CE2 3.88Å; L186-F206 HydrophobicContact CD2-CG 4.24Å; L186-F206 HydrophobicContact CD2-CZ 4.05Å; L186-F206 HydrophobicContact CG-CD2 4.36Å; L186-F206 HydrophobicContact CG-CE2 4.44Å; M201-F206 HydrophobicContact CG-CB 4.27Å; M201-F206 HydrophobicContact SD-CB 3.77Å; M201-F206 HydrophobicContact SD-CD2 3.81Å; M201-F206 HydrophobicContact SD-CG 4.29Å; K202-F206 PolarHBondContact O-N 2.62Å; L203-F206 PolarHBondContact O-N 3.36Å; F206-K208 PolarHBondContact O-N 3.04Å; F206-N209 PolarHBondContact O-N 3.23Å; F206-L210 HydrophobicContact CD1-CD1 4.33Å; F206-L210 HydrophobicContact CD2-CD1 4.24Å; F206-L210 HydrophobicContact CE1-CD1 3.83Å; F206-L210 HydrophobicContact CE2-CD1 3.73Å; F206-L210 HydrophobicContact CZ-CD1 3.49Å; F206-L210 VanDerWaalsContact CZ-CD1 3.49Å; F206-L210 PolarHBondContact O-N 3.02Å; F206-L224 HydrophobicContact CE1-CB 4.33Å; F206-L224 HydrophobicContact CE1-CD2 4.21Å; F206-I227 HydrophobicContact CE1-CG2 4.32Å; F206-I227 HydrophobicContact CZ-CG2 4.34Å; F206-Y228 HydrophobicContact CB-CD2 3.89Å; F206-Y228 HydrophobicContact CB-CE2 4.37Å; F206-Y228 HydrophobicContact CD1-CD2 4.18Å; F206-Y228 HydrophobicContact CG-CD2 4.12Å
207	I	92.2	Very high	86.7	Confident	46 Å²	46	88.3 Å²	88.3	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-43.3	176.4	-67.4	173.3	0	0	0	110.7	L203 N209 L210 R211 L224	L203-I207 HydrophobicContact CD1-CD1 3.81Å; L203-I207 HydrophobicContact CD1-CG1 4.14Å; L203-I207 HydrophobicContact CG-CD1 4.1Å; L203-I207 WeakPolarHBondContact O-CG1 3.21Å; L203-I207 PolarHBondContact O-N 3.41Å; I207-N209 VanDerWaalsContact C-N 3.34Å; I207-N209 PolarHBondContact O-N 2.89Å; I207-L210 PolarHBondContact O-N 2.86Å; I207-R211 PolarHBondContact O-N 3.31Å; I207-L224 HydrophobicContact CG1-CB 4.03Å; I207-L224 HydrophobicContact CG1-CD1 4.33Å
208	K	91.3	Very high	85.3	Confident	144 Å²	144	87.2 Å²	87.2	63%	0.626	43%	0.425	S	S	*	.	H	α-helix	trans	-61.2	-42.7	178.1	-179.4	-177.2	175.2	-174.6	0	111.6	E204 D205 F206 L210 R211	E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.04Å; D205-K208 PolarHBondContact O-N 2.98Å; F206-K208 PolarHBondContact O-N 3.04Å; K208-L210 PolarHBondContact O-N 3.22Å; K208-R211 WeakPolarHBondContact O-CB 3.5Å; K208-R211 PolarHBondContact O-N 3.11Å
209	N	90.4	Very high	84.5	Confident	90 Å²	90	82 Å²	82	48%	0.481	40%	0.401	S	S	.	.	H	α-helix	trans	-64.7	-24.7	-179.9	-70.5	-19.8	0	0	0	113.1	D205 F206 I207	D205-N209 WeakPolarHBondContact O-CB 3.32Å; D205-N209 PolarHBondContact O-N 2.8Å; D205-N209 PolarHBondContact O-ND2 3.07Å; D205-N209 VanDerWaalsContact O-ND2 3.16Å; D205-N209 PolarHBondContact O-OD1 3.01Å; F206-N209 PolarHBondContact O-N 3.23Å; I207-N209 VanDerWaalsContact C-N 3.34Å; I207-N209 PolarHBondContact O-N 2.89Å
210	L	90.1	Very high	83.9	Confident	14 Å²	14	78.8 Å²	78.8	7%	0.073	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	1.5	179.9	-67	172.9	0	0	0	113.6	L179 A182 F206 I207 K208 G212 L213 L224	L179-L210 HydrophobicContact CD1-CD1 3.63Å; L179-L210 HydrophobicContact CD1-CD2 4.38Å; A182-L210 HydrophobicContact CB-CD1 4.31Å; A182-L210 HydrophobicContact CB-CD2 3.72Å; A182-L210 HydrophobicContact CB-CG 4.43Å; F206-L210 HydrophobicContact CD1-CD1 4.33Å; F206-L210 HydrophobicContact CD2-CD1 4.24Å; F206-L210 HydrophobicContact CE1-CD1 3.83Å; F206-L210 HydrophobicContact CE2-CD1 3.73Å; F206-L210 HydrophobicContact CZ-CD1 3.49Å; F206-L210 VanDerWaalsContact CZ-CD1 3.49Å; F206-L210 PolarHBondContact O-N 3.02Å; I207-L210 PolarHBondContact O-N 2.86Å; K208-L210 PolarHBondContact O-N 3.22Å; L210-G212 PolarHBondContact O-N 3.43Å; L210-L213 HydrophobicContact CD2-CD2 4Å; L210-L213 WeakPolarHBondContact O-CB 3.31Å; L210-L213 PolarHBondContact O-N 3.4Å; L210-L224 HydrophobicContact CB-CD1 4.11Å; L210-L224 HydrophobicContact CD1-CD1 4.17Å; L210-L224 HydrophobicContact CD1-CD2 3.71Å
211	R	84.7	Confident	83.2	Confident	205 Å²	205	78.9 Å²	78.9	77%	0.774	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	130.2	178.4	-173	-177.8	-69.3	-159.1	-1.6	110.2	I207 K208 L213	I207-R211 PolarHBondContact O-N 3.31Å; K208-R211 WeakPolarHBondContact O-CB 3.5Å; K208-R211 PolarHBondContact O-N 3.11Å; R211-L213 VanDerWaalsContact C-N 3.31Å
212	G	81.6	Confident	82.8	Confident	58 Å²	58	79.4 Å²	79.4	60%	0.598	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-3.4	177.6	0	0	0	0	0	114.9	L210 D214 E215	L210-G212 PolarHBondContact O-N 3.43Å; G212-D214 PolarHBondContact O-N 3.05Å; G212-D214 VanDerWaalsContact O-N 3.12Å; G212-E215 PolarHBondContact O-N 3.31Å
213	L	82	Confident	82.4	Confident	46 Å²	46	75.7 Å²	75.7	24%	0.241	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.5	-178.5	178.9	57.8	0	0	0	113.1	T175 V178 L179 L210 R211 I219	T175-L213 HydrophobicContact CG2-CD2 4.42Å; T175-L213 HydrophobicContact CG2-CG 4.33Å; V178-L213 HydrophobicContact CB-CD1 3.77Å; V178-L213 HydrophobicContact CB-CD2 4.1Å; V178-L213 HydrophobicContact CG1-CD1 3.55Å; V178-L213 HydrophobicContact CG1-CD2 3.89Å; V178-L213 HydrophobicContact CG1-CG 4.4Å; V178-L213 HydrophobicContact CG2-CD1 4.18Å; L179-L213 HydrophobicContact CB-CD2 4.41Å; L210-L213 HydrophobicContact CD2-CD2 4Å; L210-L213 WeakPolarHBondContact O-CB 3.31Å; L210-L213 PolarHBondContact O-N 3.4Å; R211-L213 VanDerWaalsContact C-N 3.31Å; L213-I219 HydrophobicContact CB-CD1 4.29Å; L213-I219 HydrophobicContact CD2-CD1 3.68Å; L213-I219 HydrophobicContact CG-CD1 4.15Å
214	D	74.8	Confident	82.3	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.037	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	28.5	-179.3	-173.2	45.6	0	0	0	113	K171 T175 G212 G216 R217 M218	K171-D214 WeakPolarHBondContact CE-OD1 3.21Å; T175-D214 HydrophobicContact CG2-CB 3.83Å; G212-D214 PolarHBondContact O-N 3.05Å; G212-D214 VanDerWaalsContact O-N 3.12Å; D214-G216 PolarHBondContact O-N 3.31Å; D214-R217 WeakPolarHBondContact O-CB 3.45Å; D214-R217 WeakPolarHBondContact O-CG 3.46Å; D214-R217 PolarHBondContact O-N 3.06Å; D214-M218 WeakPolarHBondContact OD2-CA 3.45Å; D214-M218 WeakPolarHBondContact OD2-CB 3.02Å; D214-M218 WeakPolarHBondContact OD2-CG 3.45Å; D214-M218 PolarHBondContact OD2-N 3.26Å
215	E	66.3	Low	82.3	Confident	116 Å²	116	69.3 Å²	69.3	54%	0.542	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	23.6	-179.4	-56.6	164.5	156.4	0	0	113.4	K171 G212 R217	K171-E215 IonicContact NZ-OE1 3.55Å; K171-E215 IonicContact NZ-OE2 3.86Å; K171-E215 PolarHBondContact NZ-OE2 2.97Å; G212-E215 PolarHBondContact O-N 3.31Å; E215-R217 HydrophobicContact CB-CG 4.44Å; E215-R217 IonicContact OE2-CZ 2.81Å; E215-R217 IonicContact OE2-NE 2.7Å; E215-R217 PolarHBondContact OE2-NE 3.47Å; E215-R217 IonicContact OE2-NH2 3.79Å; E215-R217 PolarHBondContact OE2-NH2 2.91Å
216	G	59.5	Low	82.3	Confident	66 Å²	66	70.2 Å²	70.2	68%	0.68	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	8.9	-177.1	0	0	0	0	0	116.2	D214	D214-G216 PolarHBondContact O-N 3.31Å
217	R	65.4	Low	82.4	Confident	183 Å²	183	70.5 Å²	70.5	69%	0.691	38%	0.383	S	S	*	.	S	Bend	trans	-84.3	-36.3	-169.6	-56.6	-177.5	-157.6	-143.3	4.2	114.5	D214 E215	D214-R217 WeakPolarHBondContact O-CB 3.45Å; D214-R217 WeakPolarHBondContact O-CG 3.46Å; D214-R217 PolarHBondContact O-N 3.06Å; E215-R217 HydrophobicContact CB-CG 4.44Å; E215-R217 IonicContact OE2-CZ 2.81Å; E215-R217 IonicContact OE2-NE 2.7Å; E215-R217 PolarHBondContact OE2-NE 3.47Å; E215-R217 IonicContact OE2-NH2 3.79Å; E215-R217 PolarHBondContact OE2-NH2 2.91Å
218	M	62.3	Low	82.7	Confident	74 Å²	74	69 Å²	69	37%	0.365	38%	0.375	S	S	.	.	S	Bend	trans	-116.4	-28.8	-176.4	-62.4	171.4	62.1	0	0	113.6	R172 T175 D214	R172-M218 HydrophobicContact CB-CE 4.16Å; R172-M218 HydrophobicContact CB-SD 4.24Å; R172-M218 HydrophobicContact CG-CE 4Å; R172-M218 HydrophobicContact CG-SD 3.7Å; T175-M218 HydrophobicContact CG2-SD 4.47Å; D214-M218 WeakPolarHBondContact OD2-CA 3.45Å; D214-M218 WeakPolarHBondContact OD2-CB 3.02Å; D214-M218 WeakPolarHBondContact OD2-CG 3.45Å; D214-M218 PolarHBondContact OD2-N 3.26Å
219	I	74.9	Confident	83	Confident	30 Å²	30	66.3 Å²	66.3	15%	0.154	36%	0.364	C	S	.	.			trans	-100.5	101.9	-171.7	-57.4	177.7	0	0	0	109.9	T175 L179 L213 L224	T175-I219 HydrophobicContact CG2-CD1 3.78Å; T175-I219 HydrophobicContact CG2-CG1 4.21Å; L179-I219 HydrophobicContact CD2-CD1 4.17Å; L213-I219 HydrophobicContact CB-CD1 4.29Å; L213-I219 HydrophobicContact CD2-CD1 3.68Å; L213-I219 HydrophobicContact CG-CD1 4.15Å; I219-L224 HydrophobicContact CG2-CD1 3.65Å; I219-L224 HydrophobicContact CG2-CD2 3.53Å; I219-L224 HydrophobicContact CG2-CG 3.47Å; I219-L224 VanDerWaalsContact CG2-CG 3.47Å
220	N	78.9	Confident	83.3	Confident	91 Å²	91	65.4 Å²	65.4	49%	0.487	35%	0.354	S	S	.	.			trans	-74.2	129.6	170	-178.2	-12.1	0	0	0	109.7	A222 S223 L224	N220-A222 PolarHBondContact O-N 3.08Å; N220-A222 VanDerWaalsContact O-N 3.15Å; N220-A222 WeakPolarHBondContact OD1-CB 3.43Å; N220-A222 PolarHBondContact OD1-N 2.85Å; N220-S223 WeakPolarHBondContact O-CB 3.35Å; N220-S223 PolarHBondContact O-N 3.06Å; N220-L224 PolarHBondContact O-N 2.85Å
221	P	80.4	Confident	83.7	Confident	81 Å²	81	64.7 Å²	64.7	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-51.2	-33.7	173.2	-28.8	35.5	0	0	0	114.5	L224 A225	P221-L224 PolarHBondContact O-N 2.86Å; P221-A225 PolarHBondContact O-N 3.03Å; P221-A225 VanDerWaalsContact O-N 3.16Å
222	A	86.6	Confident	84.3	Confident	53 Å²	53	59.9 Å²	59.9	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-43.3	175.3	0	0	0	0	0	111.8	N220 L224 A225 D226	N220-A222 PolarHBondContact O-N 3.08Å; N220-A222 VanDerWaalsContact O-N 3.15Å; N220-A222 WeakPolarHBondContact OD1-CB 3.43Å; N220-A222 PolarHBondContact OD1-N 2.85Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.32Å; A222-A225 WeakPolarHBondContact O-CB 3.47Å; A222-A225 PolarHBondContact O-N 3.1Å; A222-A225 VanDerWaalsContact O-N 3.11Å; A222-D226 PolarHBondContact O-N 2.96Å
223	S	89.3	Confident	85	Confident	51 Å²	51	61.4 Å²	61.4	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-33.7	177	-53.6	0	0	0	0	112.5	N220 A225 D226 I227	N220-S223 WeakPolarHBondContact O-CB 3.35Å; N220-S223 PolarHBondContact O-N 3.06Å; S223-A225 VanDerWaalsContact C-N 3.34Å; S223-D226 PolarHBondContact O-N 2.7Å; S223-I227 WeakPolarHBondContact O-CD1 3.44Å; S223-I227 VanDerWaalsContact O-CG1 3.26Å; S223-I227 WeakPolarHBondContact O-CG1 3.42Å; S223-I227 PolarHBondContact O-N 2.92Å
224	L	92.9	Very high	85.7	Confident	7 Å²	7	65 Å²	65	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-36.6	173.9	-66.9	-177.9	0	0	0	112.2	L179 F206 I207 L210 I219 N220 P221 A222 Y228	L179-L224 HydrophobicContact CD1-CD2 3.84Å; F206-L224 HydrophobicContact CE1-CB 4.33Å; F206-L224 HydrophobicContact CE1-CD2 4.21Å; I207-L224 HydrophobicContact CG1-CB 4.03Å; I207-L224 HydrophobicContact CG1-CD1 4.33Å; L210-L224 HydrophobicContact CB-CD1 4.11Å; L210-L224 HydrophobicContact CD1-CD1 4.17Å; L210-L224 HydrophobicContact CD1-CD2 3.71Å; I219-L224 HydrophobicContact CG2-CD1 3.65Å; I219-L224 HydrophobicContact CG2-CD2 3.53Å; I219-L224 HydrophobicContact CG2-CG 3.47Å; I219-L224 VanDerWaalsContact CG2-CG 3.47Å; N220-L224 PolarHBondContact O-N 2.85Å; P221-L224 PolarHBondContact O-N 2.86Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.32Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.32Å
225	A	95.2	Very high	86.7	Confident	24 Å²	24	65.3 Å²	65.3	20%	0.198	36%	0.359	C	S	.	.	H	α-helix	trans	-66.3	-43	175.3	0	0	0	0	0	111.9	L203 P221 A222 S223 I227 Y228 E229	L203-A225 HydrophobicContact CD1-CB 3.94Å; L203-A225 HydrophobicContact CD2-CB 4.21Å; P221-A225 PolarHBondContact O-N 3.03Å; P221-A225 VanDerWaalsContact O-N 3.16Å; A222-A225 WeakPolarHBondContact O-CB 3.47Å; A222-A225 PolarHBondContact O-N 3.1Å; A222-A225 VanDerWaalsContact O-N 3.11Å; S223-A225 VanDerWaalsContact C-N 3.34Å; A225-I227 PolarHBondContact O-N 3.36Å; A225-Y228 PolarHBondContact O-N 3.03Å; A225-E229 PolarHBondContact O-N 2.99Å
226	D	95.7	Very high	87.9	Confident	85 Å²	85	60 Å²	60	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.1	-67.7	-28.2	0	0	0	112	A222 S223 Y228 E229 R230	A222-D226 PolarHBondContact O-N 2.96Å; S223-D226 PolarHBondContact O-N 2.7Å; D226-Y228 PolarHBondContact O-N 3.06Å; D226-E229 PolarHBondContact O-N 3.24Å; D226-R230 WeakPolarHBondContact O-CB 3.49Å; D226-R230 WeakPolarHBondContact O-CG 3.48Å; D226-R230 PolarHBondContact O-N 3.49Å
227	I	96.4	Very high	89.5	Confident	10 Å²	10	62.8 Å²	62.8	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-56.5	-51.3	173.3	-73.3	165.4	0	0	0	110.1	D128 I183 F206 S223 A225 E229 R230 I231	D128-I227 HydrophobicContact CB-CG1 4.27Å; D128-I227 HydrophobicContact CB-CG2 4.13Å; I183-I227 HydrophobicContact CD1-CD1 4.41Å; I183-I227 HydrophobicContact CD1-CG2 3.84Å; I183-I227 HydrophobicContact CG1-CG2 3.68Å; F206-I227 HydrophobicContact CE1-CG2 4.32Å; F206-I227 HydrophobicContact CZ-CG2 4.34Å; S223-I227 WeakPolarHBondContact O-CD1 3.44Å; S223-I227 VanDerWaalsContact O-CG1 3.26Å; S223-I227 WeakPolarHBondContact O-CG1 3.42Å; S223-I227 PolarHBondContact O-N 2.92Å; A225-I227 PolarHBondContact O-N 3.36Å; I227-E229 PolarHBondContact O-N 3.3Å; I227-R230 PolarHBondContact O-N 2.92Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 WeakPolarHBondContact O-CG1 3.48Å; I227-I231 PolarHBondContact O-N 2.89Å
228	Y	97.8	Very high	90.9	Very high	15 Å²	15	55.5 Å²	55.5	6%	0.059	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-48.6	-177.7	177	-83.7	0	0	0	112	L186 L190 M201 L203 F206 L224 A225 D226 R230 I231 K232	L186-Y228 HydrophobicContact CD1-CD2 3.75Å; L186-Y228 HydrophobicContact CD1-CE2 3.71Å; L186-Y228 HydrophobicContact CD2-CD2 3.69Å; L186-Y228 HydrophobicContact CD2-CE2 4.45Å; L186-Y228 HydrophobicContact CD2-CG 4.33Å; L186-Y228 HydrophobicContact CG-CD2 4.34Å; L190-Y228 HydrophobicContact CD1-CE2 4.34Å; M201-Y228 PolarHBondContact O-OH 3.46Å; L203-Y228 HydrophobicContact CB-CD1 3.93Å; L203-Y228 HydrophobicContact CB-CE1 3.85Å; L203-Y228 HydrophobicContact CB-CE2 4.43Å; L203-Y228 HydrophobicContact CB-CG 4.27Å; L203-Y228 HydrophobicContact CD1-CD1 3.9Å; L203-Y228 HydrophobicContact CD1-CD2 4.34Å; L203-Y228 HydrophobicContact CD1-CG 3.73Å; L203-Y228 HydrophobicContact CG-CD1 4.43Å; L203-Y228 PolarHBondContact N-OH 2.97Å; F206-Y228 HydrophobicContact CB-CD2 3.89Å; F206-Y228 HydrophobicContact CB-CE2 4.37Å; F206-Y228 HydrophobicContact CD1-CD2 4.18Å; F206-Y228 HydrophobicContact CG-CD2 4.12Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.32Å; A225-Y228 PolarHBondContact O-N 3.03Å; D226-Y228 PolarHBondContact O-N 3.06Å; Y228-R230 PolarHBondContact O-N 3.26Å; Y228-I231 PolarHBondContact O-N 3.38Å; Y228-K232 HydrophobicContact CD1-CD 4.48Å; Y228-K232 HydrophobicContact CE1-CD 3.74Å; Y228-K232 VanDerWaalsContact O-CB 3.31Å; Y228-K232 WeakPolarHBondContact O-CB 3.49Å; Y228-K232 PolarHBondContact O-N 3.13Å
229	E	97.8	Very high	92.4	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-37.3	-179.4	-71.8	-57.5	145.2	0	0	112	A225 D226 I227 K232 A233	A225-E229 PolarHBondContact O-N 2.99Å; D226-E229 PolarHBondContact O-N 3.24Å; I227-E229 PolarHBondContact O-N 3.3Å; E229-K232 PolarHBondContact O-N 3.25Å; E229-K232 IonicContact OE1-NZ 3.52Å; E229-K232 IonicContact OE2-NZ 3.3Å; E229-A233 VanDerWaalsContact O-CB 3.24Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 2.8Å
230	R	97.8	Very high	93.4	Very high	71 Å²	71	55.7 Å²	55.7	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-41.9	173.8	-74.6	-171.1	-63.9	-106.6	6.7	112.9	D126 D128 D226 I227 Y228 A233 Q234	D126-R230 VanDerWaalsContact CB-NH2 3.35Å; D126-R230 IonicContact OD2-CZ 2.88Å; D126-R230 VanDerWaalsContact OD2-CZ 3.23Å; D126-R230 IonicContact OD2-NH1 2.76Å; D126-R230 PolarHBondContact OD2-NH1 2.94Å; D126-R230 VanDerWaalsContact OD2-NH1 3.07Å; D126-R230 IonicContact OD2-NH2 3.58Å; D126-R230 PolarHBondContact OD2-NH2 2.94Å; D128-R230 IonicContact OD1-CZ 3.09Å; D128-R230 IonicContact OD1-NE 2.63Å; D128-R230 PolarHBondContact OD1-NE 2.79Å; D128-R230 IonicContact OD1-NH2 2.94Å; D128-R230 PolarHBondContact OD1-NH2 3.45Å; D128-R230 IonicContact OD2-CZ 3.01Å; D128-R230 IonicContact OD2-NE 2.66Å; D128-R230 PolarHBondContact OD2-NE 3.44Å; D128-R230 IonicContact OD2-NH2 2.85Å; D226-R230 WeakPolarHBondContact O-CB 3.49Å; D226-R230 WeakPolarHBondContact O-CG 3.48Å; D226-R230 PolarHBondContact O-N 3.49Å; I227-R230 PolarHBondContact O-N 2.92Å; Y228-R230 PolarHBondContact O-N 3.26Å; R230-A233 PolarHBondContact O-N 3.46Å; R230-Q234 PolarHBondContact O-N 2.97Å
231	I	97.2	Very high	94.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.1	-62.1	-40.3	0	0	0	110.8	D128 I183 L186 N187 L190 H191 I227 Y228 A233 Q234 F236	D128-I231 HydrophobicContact CB-CD1 4.06Å; I183-I231 HydrophobicContact CG2-CD1 4.09Å; I183-I231 HydrophobicContact CG2-CG1 4.15Å; L186-I231 HydrophobicContact CD2-CB 4.17Å; L186-I231 HydrophobicContact CD2-CG1 4.39Å; L186-I231 HydrophobicContact CD2-CG2 4.29Å; L186-I231 HydrophobicContact CG-CG2 4.27Å; N187-I231 HydrophobicContact CB-CG2 3.99Å; L190-I231 HydrophobicContact CD1-CG2 4.2Å; H191-I231 PolarHBondContact NE2-O 3.39Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 WeakPolarHBondContact O-CG1 3.48Å; I227-I231 PolarHBondContact O-N 2.89Å; Y228-I231 PolarHBondContact O-N 3.38Å; I231-A233 PolarHBondContact O-N 3.28Å; I231-Q234 CarbonylContact O-C 3.25Å; I231-Q234 VanDerWaalsContact O-C 3.25Å; I231-Q234 PolarHBondContact O-N 3.41Å; I231-Q234 VanDerWaalsContact O-O 3.13Å; I231-F236 HydrophobicContact CD1-CD2 3.95Å; I231-F236 HydrophobicContact CD1-CE2 3.23Å; I231-F236 HydrophobicContact CD1-CZ 3.87Å; I231-F236 HydrophobicContact CG1-CE2 4.23Å
232	K	97.1	Very high	95.1	Very high	104 Å²	104	49.8 Å²	49.8	45%	0.452	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-42.1	177.5	-177.9	178.3	165.2	-157.4	0	112.2	L190 H191 Y228 E229	L190-K232 HydrophobicContact CD1-CB 3.87Å; L190-K232 HydrophobicContact CD1-CG 4.48Å; H191-K232 PolarHBondContact CE1-O 2.83Å; Y228-K232 HydrophobicContact CD1-CD 4.48Å; Y228-K232 HydrophobicContact CE1-CD 3.74Å; Y228-K232 VanDerWaalsContact O-CB 3.31Å; Y228-K232 WeakPolarHBondContact O-CB 3.49Å; Y228-K232 PolarHBondContact O-N 3.13Å; E229-K232 PolarHBondContact O-N 3.25Å; E229-K232 IonicContact OE1-NZ 3.52Å; E229-K232 IonicContact OE2-NZ 3.3Å
233	A	97.5	Very high	95.7	Very high	89 Å²	89	48.3 Å²	48.3	74%	0.736	26%	0.261	S	S	*	.	H	α-helix	trans	-68	-39.1	178.2	0	0	0	0	0	112.4	E229 R230 I231	E229-A233 VanDerWaalsContact O-CB 3.24Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 2.8Å; R230-A233 PolarHBondContact O-N 3.46Å; I231-A233 PolarHBondContact O-N 3.28Å
234	Q	96.2	Very high	96	Very high	123 Å²	123	48.1 Å²	48.1	58%	0.575	26%	0.258	S	S	*	.	S	Bend	trans	-138.5	112.5	-177.2	-170	-176.4	-7.1	0	0	112	R132 R230 I231	R132-Q234 PolarHBondContact NH1-O 2.83Å; R132-Q234 PolarHBondContact NH2-O 2.89Å; R230-Q234 PolarHBondContact O-N 2.97Å; I231-Q234 CarbonylContact O-C 3.25Å; I231-Q234 VanDerWaalsContact O-C 3.25Å; I231-Q234 PolarHBondContact O-N 3.41Å; I231-Q234 VanDerWaalsContact O-O 3.13Å
235	E	95.2	Very high	96.1	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.061	28%	0.281	C	S	.	.			trans	-54.8	144	170.4	-173.5	-169.1	-168.2	0	0	112.6	R132 H191 R237 S458	R132-E235 PolarHBondContact NH1-O 3.08Å; H191-E235 HydrophobicContact CB-CB 4.29Å; H191-E235 HydrophobicContact CB-CG 3.73Å; H191-E235 WeakPolarHBondContact NE2-CA 3.45Å; E235-R237 PolarHBondContact O-N 2.84Å; E235-R237 IonicContact OE2-CZ 3.07Å; E235-R237 VanDerWaalsContact OE2-CZ 3.3Å; E235-R237 IonicContact OE2-NE 2.84Å; E235-R237 PolarHBondContact OE2-NE 3.32Å; E235-R237 IonicContact OE2-NH2 3.75Å; E235-R237 PolarHBondContact OE2-NH2 2.83Å; E235-S458 VanDerWaalsContact CD-CB 3.48Å; E235-S458 WeakPolarHBondContact OE1-CB 3.39Å; E235-S458 PolarHBondContact OE1-OG 3.11Å; E235-S458 WeakPolarHBondContact OE2-CB 3.36Å; E235-S458 PolarHBondContact OE2-OG 3.3Å
236	F	92.5	Very high	96.3	Very high	4 Å²	4	52 Å²	52	2%	0.018	27%	0.271	C	S	.	.			trans	-63.8	127.1	165.6	-82.5	-88.8	0	0	0	111.2	L131 R132 L135 I183 N187 I231 L455	L131-F236 HydrophobicContact CB-CE1 4.22Å; L131-F236 HydrophobicContact CB-CZ 4.24Å; L131-F236 HydrophobicContact CD2-CE1 4.39Å; L131-F236 HydrophobicContact CD2-CZ 4Å; L131-F236 HydrophobicContact CG-CE1 4.01Å; L131-F236 HydrophobicContact CG-CZ 4.09Å; R132-F236 HydrophobicContact CB-CD1 4.03Å; R132-F236 HydrophobicContact CB-CE1 3.58Å; R132-F236 HydrophobicContact CB-CZ 4.4Å; R132-F236 HydrophobicContact CG-CD1 4.2Å; R132-F236 HydrophobicContact CG-CE1 4.24Å; L135-F236 HydrophobicContact CD1-CD1 4.42Å; I183-F236 HydrophobicContact CG2-CE2 3.44Å; I183-F236 VanDerWaalsContact CG2-CE2 3.44Å; I183-F236 HydrophobicContact CG2-CZ 3.72Å; N187-F236 HydrophobicContact CB-CD2 3.83Å; N187-F236 PolarHBondContact OD1-N 2.93Å; I231-F236 HydrophobicContact CD1-CD2 3.95Å; I231-F236 HydrophobicContact CD1-CE2 3.23Å; I231-F236 HydrophobicContact CD1-CZ 3.87Å; I231-F236 HydrophobicContact CG1-CE2 4.23Å; F236-L455 HydrophobicContact CB-CD2 3.5Å
237	R	92	Very high	96.3	Very high	125 Å²	125	49.5 Å²	49.5	47%	0.472	26%	0.258	S	S	.	.			trans	-134.7	132	173.4	-63.7	-170.9	179.2	177.5	5.7	110	E235 S458	E235-R237 PolarHBondContact O-N 2.84Å; E235-R237 IonicContact OE2-CZ 3.07Å; E235-R237 VanDerWaalsContact OE2-CZ 3.3Å; E235-R237 IonicContact OE2-NE 2.84Å; E235-R237 PolarHBondContact OE2-NE 3.32Å; E235-R237 IonicContact OE2-NH2 3.75Å; E235-R237 PolarHBondContact OE2-NH2 2.83Å; R237-S458 PolarHBondContact NE-O 3.13Å; R237-S458 PolarHBondContact NH1-O 3.32Å; R237-S458 VanDerWaalsContact NH1-O 3.14Å; R237-S458 PolarHBondContact NH2-O 3.16Å
238	T	94.6	Very high	96.3	Very high	29 Å²	29	55.3 Å²	55.3	18%	0.178	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.8	148.5	166.9	-56.9	0	0	0	0	109.9	K94 L135 F138 R139	K94-T238 HydrophobicContact CB-CG2 3.6Å; K94-T238 HydrophobicContact CD-CG2 4.27Å; K94-T238 HydrophobicContact CG-CG2 3.99Å; L135-T238 PolarHBondContact O-OG1 3Å; F138-T238 VanDerWaalsContact C-CG2 3.42Å; F138-T238 PolarHBondContact O-OG1 3.36Å; R139-T238 WeakPolarHBondContact CA-OG1 3.49Å; R139-T238 HydrophobicContact CB-CG2 4.24Å
239	G	95.2	Very high	96.1	Very high	8 Å²	8	55.5 Å²	55.5	8%	0.082	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.4	155.2	176.3	0	0	0	0	0	112.4	H136	H136-G239 WeakPolarHBondContact CE1-CA 3.26Å; H136-G239 WeakPolarHBondContact O-CA 3.3Å; H136-G239 PolarHBondContact O-N 2.96Å
240	S	96.1	Very high	96.1	Very high	101 Å²	101	52.8 Å²	52.8	71%	0.706	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-71.3	144.5	179	54.3	0	0	0	0	111.9
241	D	97.1	Very high	95.9	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.134	28%	0.283	C	S	.	.			trans	-132.2	-171	173.6	63.6	3.9	0	0	0	111.2	S93 K94 V243 T244	S93-D241 WeakPolarHBondContact CA-OD2 3.4Å; K94-D241 HydrophobicContact CG-CB 3.85Å; K94-D241 PolarHBondContact N-OD2 3.02Å; D241-V243 VanDerWaalsContact C-N 3.32Å; D241-V243 WeakPolarHBondContact OD1-CB 3.42Å; D241-V243 PolarHBondContact OD1-N 3.43Å; D241-T244 PolarHBondContact N-OG1 3.08Å; D241-T244 WeakPolarHBondContact O-CB 3.47Å; D241-T244 PolarHBondContact O-N 3.35Å; D241-T244 PolarHBondContact OD1-N 3.19Å; D241-T244 PolarHBondContact OD1-OG1 3.25Å
242	H	97.6	Very high	95.7	Very high	22 Å²	22	60.3 Å²	60.3	10%	0.102	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-34.7	177.5	59.9	-75.6	0	0	0	112.1	G91 S93 T244 Q245 V246 P263 R265 R266	G91-H242 PolarHBondContact O-CE1 2.83Å; G91-H242 PolarHBondContact O-ND1 3.43Å; S93-H242 PolarHBondContact N-CE1 3.22Å; H242-T244 VanDerWaalsContact C-N 3.27Å; H242-T244 PolarHBondContact O-N 2.97Å; H242-Q245 WeakPolarHBondContact O-CB 3.38Å; H242-Q245 PolarHBondContact O-N 3.48Å; H242-V246 PolarHBondContact O-N 3.14Å; H242-P263 PolarHBondContact NE2-O 3.34Å; H242-R265 PolarHBondContact CD2-O 3.39Å; H242-R266 HydrophobicContact CB-CB 4.25Å
243	V	97.8	Very high	95.7	Very high	22 Å²	22	55.6 Å²	55.6	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-37.5	177.3	-171.4	0	0	0	0	110.6	D241 Q245 V246 L247	D241-V243 VanDerWaalsContact C-N 3.32Å; D241-V243 WeakPolarHBondContact OD1-CB 3.42Å; D241-V243 PolarHBondContact OD1-N 3.43Å; V243-Q245 PolarHBondContact O-N 2.87Å; V243-V246 PolarHBondContact O-N 2.88Å; V243-V246 VanDerWaalsContact O-N 3.13Å; V243-L247 WeakPolarHBondContact O-CB 3.44Å; V243-L247 PolarHBondContact O-N 2.8Å
244	T	96.6	Very high	95.5	Very high	48 Å²	48	54 Å²	54	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-58	-33.8	174.4	-53.2	0	0	0	0	112	D241 H242 K248	D241-T244 PolarHBondContact N-OG1 3.08Å; D241-T244 WeakPolarHBondContact O-CB 3.47Å; D241-T244 PolarHBondContact O-N 3.35Å; D241-T244 PolarHBondContact OD1-N 3.19Å; D241-T244 PolarHBondContact OD1-OG1 3.25Å; H242-T244 VanDerWaalsContact C-N 3.27Å; H242-T244 PolarHBondContact O-N 2.97Å; T244-K248 WeakPolarHBondContact O-CG 3.43Å; T244-K248 PolarHBondContact O-N 2.82Å
245	Q	95.5	Very high	95.4	Very high	111 Å²	111	50 Å²	50	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-73.3	-44.1	175.4	-56.3	-178.8	26.5	0	0	111.4	H242 V243 L247 K248 V249	H242-Q245 WeakPolarHBondContact O-CB 3.38Å; H242-Q245 PolarHBondContact O-N 3.48Å; V243-Q245 PolarHBondContact O-N 2.87Å; Q245-L247 VanDerWaalsContact C-N 3.29Å; Q245-L247 PolarHBondContact O-N 3.5Å; Q245-K248 WeakPolarHBondContact O-CB 2.93Å; Q245-K248 PolarHBondContact O-N 3.21Å; Q245-K248 VanDerWaalsContact O-N 3.07Å; Q245-V249 PolarHBondContact O-N 3.26Å
246	V	97.8	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-41.5	176.5	176.9	0	0	0	0	111.2	H242 V243 K248 V249 D250 L260 R265 L267 F295	H242-V246 PolarHBondContact O-N 3.14Å; V243-V246 PolarHBondContact O-N 2.88Å; V243-V246 VanDerWaalsContact O-N 3.13Å; V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.07Å; V246-V249 WeakPolarHBondContact O-CB 3.26Å; V246-V249 PolarHBondContact O-N 3.44Å; V246-V249 VanDerWaalsContact O-N 3.08Å; V246-D250 WeakPolarHBondContact O-CB 3.41Å; V246-D250 PolarHBondContact O-N 3.5Å; V246-L260 HydrophobicContact CG1-CB 3.96Å; V246-L260 VanDerWaalsContact CG1-O 3.27Å; V246-L260 WeakPolarHBondContact CG1-O 3.36Å; V246-R265 WeakPolarHBondContact CG2-O 3.46Å; V246-L267 HydrophobicContact CG2-CB 4.47Å; V246-F295 HydrophobicContact CB-CE1 4.45Å; V246-F295 HydrophobicContact CG1-CE1 3.86Å; V246-F295 HydrophobicContact CG2-CD1 4.26Å; V246-F295 HydrophobicContact CG2-CE1 3.99Å
247	L	96.7	Very high	95.4	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-36.5	175	175.8	72.1	0	0	0	113.2	V243 Q245 V249 D250 R251 T261 V457	V243-L247 WeakPolarHBondContact O-CB 3.44Å; V243-L247 PolarHBondContact O-N 2.8Å; Q245-L247 VanDerWaalsContact C-N 3.29Å; Q245-L247 PolarHBondContact O-N 3.5Å; L247-V249 VanDerWaalsContact C-N 3.31Å; L247-D250 PolarHBondContact O-N 2.81Å; L247-R251 WeakPolarHBondContact O-CG 3.48Å; L247-R251 PolarHBondContact O-N 2.75Å; L247-R251 VanDerWaalsContact O-N 3.1Å; L247-T261 HydrophobicContact CB-CG2 4.01Å; L247-T261 HydrophobicContact CD1-CG2 3.88Å; L247-V457 HydrophobicContact CD2-CB 4.29Å; L247-V457 HydrophobicContact CD2-CG1 3.14Å; L247-V457 HydrophobicContact CD2-CG2 4.12Å; L247-V457 HydrophobicContact CG-CG1 4.4Å
248	K	95.1	Very high	95.6	Very high	133 Å²	133	55.4 Å²	55.4	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-35.3	175.7	-69.3	174.1	-176.9	178.9	0	111.6	T244 Q245 V246	T244-K248 WeakPolarHBondContact O-CG 3.43Å; T244-K248 PolarHBondContact O-N 2.82Å; Q245-K248 WeakPolarHBondContact O-CB 2.93Å; Q245-K248 PolarHBondContact O-N 3.21Å; Q245-K248 VanDerWaalsContact O-N 3.07Å; V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.07Å
249	V	95.1	Very high	95.7	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-70.5	-48.4	174.2	174.4	0	0	0	0	109.9	Q245 V246 L247 R251 K252 I253 L267 F293 F295	Q245-V249 PolarHBondContact O-N 3.26Å; V246-V249 WeakPolarHBondContact O-CB 3.26Å; V246-V249 PolarHBondContact O-N 3.44Å; V246-V249 VanDerWaalsContact O-N 3.08Å; L247-V249 VanDerWaalsContact C-N 3.31Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.27Å; V249-K252 WeakPolarHBondContact O-CB 3.34Å; V249-K252 PolarHBondContact O-N 3.11Å; V249-I253 HydrophobicContact CG1-CD1 3.61Å; V249-I253 PolarHBondContact O-N 3.24Å; V249-L267 HydrophobicContact CG2-CD2 4.01Å; V249-F293 HydrophobicContact CG1-CD1 3.67Å; V249-F293 HydrophobicContact CG1-CE1 3.75Å; V249-F293 HydrophobicContact CG1-CG 4.21Å; V249-F293 HydrophobicContact CG1-CZ 4.35Å; V249-F293 HydrophobicContact CG2-CE1 4.46Å; V249-F295 HydrophobicContact CG1-CZ 4.39Å
250	D	96.5	Very high	95.8	Very high	29 Å²	29	58.3 Å²	58.3	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-51.5	-49.8	179.6	-175.1	81.3	0	0	0	111.6	V246 L247 K252 I253 K257 L260 T261	V246-D250 WeakPolarHBondContact O-CB 3.41Å; V246-D250 PolarHBondContact O-N 3.5Å; L247-D250 PolarHBondContact O-N 2.81Å; D250-K252 PolarHBondContact O-N 3.04Å; D250-K252 VanDerWaalsContact O-N 3.08Å; D250-I253 PolarHBondContact O-N 2.95Å; D250-K257 PolarHBondContact O-NZ 3.1Å; D250-K257 WeakPolarHBondContact OD1-CE 3.25Å; D250-K257 IonicContact OD1-NZ 3.32Å; D250-K257 PolarHBondContact OD1-NZ 3.08Å; D250-K257 IonicContact OD2-NZ 3.02Å; D250-K257 PolarHBondContact OD2-NZ 3.38Å; D250-L260 HydrophobicContact CB-CB 4.35Å; D250-L260 HydrophobicContact CB-CD1 4.35Å; D250-T261 HydrophobicContact CB-CG2 4.12Å
251	R	94.5	Very high	95.8	Very high	121 Å²	121	56 Å²	56	46%	0.457	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21	179.5	-75	173.5	172.7	157.1	-7.7	115.2	L247 V249	L247-R251 WeakPolarHBondContact O-CG 3.48Å; L247-R251 PolarHBondContact O-N 2.75Å; L247-R251 VanDerWaalsContact O-N 3.1Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.27Å
252	K	93.9	Very high	95.8	Very high	108 Å²	108	57.4 Å²	57.4	47%	0.47	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.8	177.1	-65.8	-179.6	-178.3	-179.7	0	112.4	V249 D250 T313 Y314	V249-K252 WeakPolarHBondContact O-CB 3.34Å; V249-K252 PolarHBondContact O-N 3.11Å; D250-K252 PolarHBondContact O-N 3.04Å; D250-K252 VanDerWaalsContact O-N 3.08Å; K252-T313 CarbonylContact O-C 3.58Å; K252-T313 WeakPolarHBondContact O-CA 3.33Å; K252-Y314 HydrophobicContact CB-CD2 3.85Å; K252-Y314 HydrophobicContact CB-CE2 4.11Å; K252-Y314 HydrophobicContact CD-CE2 4.21Å; K252-Y314 PolarHBondContact O-N 2.72Å
253	I	95.4	Very high	95.8	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.6	-177.5	-58.1	156.8	0	0	0	109.8	V249 D250 K257 L260 L300 T302 Y314	V249-I253 HydrophobicContact CG1-CD1 3.61Å; V249-I253 PolarHBondContact O-N 3.24Å; D250-I253 PolarHBondContact O-N 2.95Å; I253-K257 HydrophobicContact CB-CD 3.93Å; I253-K257 HydrophobicContact CG2-CB 4.4Å; I253-K257 HydrophobicContact CG2-CD 3.69Å; I253-K257 PolarHBondContact O-NZ 2.99Å; I253-L260 HydrophobicContact CD1-CD1 3.77Å; I253-L300 HydrophobicContact CD1-CD2 3.58Å; I253-T302 HydrophobicContact CG1-CG2 4.44Å; I253-T302 HydrophobicContact CG2-CG2 4.22Å; I253-Y314 CarbonylContact C-O 3.48Å; I253-Y314 VanDerWaalsContact CA-O 3.26Å; I253-Y314 WeakPolarHBondContact CA-O 3.49Å; I253-Y314 HydrophobicContact CG1-CD2 4.33Å
254	V	94.1	Very high	95.8	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.339	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.1	178.5	-62	0	0	0	0	110.6	Y314 Y316	V254-Y314 WeakPolarHBondContact CG2-O 3.47Å; V254-Y314 PolarHBondContact N-O 3.03Å; V254-Y316 WeakPolarHBondContact O-CB 3.33Å; V254-Y316 PolarHBondContact O-N 3.16Å
255	G	93.6	Very high	95.9	Very high	40 Å²	40	56.4 Å²	56.4	41%	0.412	29%	0.293	S	S	.	.	S	Bend	trans	102.4	-174.4	-176.5	0	0	0	0	0	113.4	K257	G255-K257 PolarHBondContact O-N 2.86Å
256	N	94.1	Very high	96.1	Very high	154 Å²	154	53.7 Å²	53.7	82%	0.824	28%	0.278	S	S	*	.	S	Bend	trans	-78	59.4	-172.3	-62.5	-8.5	0	0	0	112.6	Y316	N256-Y316 WeakPolarHBondContact O-CD1 3.47Å; N256-Y316 WeakPolarHBondContact O-CE1 3.4Å
257	K	94.1	Very high	96.1	Very high	54 Å²	54	55.9 Å²	55.9	24%	0.235	29%	0.29	C	S	.	.			trans	-79.1	153.4	177	69.4	-167.8	-177.7	-168.2	0	111.4	D250 I253 G255 L260 Y316	D250-K257 PolarHBondContact O-NZ 3.1Å; D250-K257 WeakPolarHBondContact OD1-CE 3.25Å; D250-K257 IonicContact OD1-NZ 3.32Å; D250-K257 PolarHBondContact OD1-NZ 3.08Å; D250-K257 IonicContact OD2-NZ 3.02Å; D250-K257 PolarHBondContact OD2-NZ 3.38Å; I253-K257 HydrophobicContact CB-CD 3.93Å; I253-K257 HydrophobicContact CG2-CB 4.4Å; I253-K257 HydrophobicContact CG2-CD 3.69Å; I253-K257 PolarHBondContact O-NZ 2.99Å; G255-K257 PolarHBondContact O-N 2.86Å; K257-L260 HydrophobicContact CD-CD1 4.47Å; K257-Y316 HydrophobicContact CB-CD2 3.6Å; K257-Y316 HydrophobicContact CB-CE2 4.16Å; K257-Y316 HydrophobicContact CB-CG 3.95Å
258	P	95.7	Very high	96.2	Very high	46 Å²	46	56.2 Å²	56.2	30%	0.299	29%	0.292	S	S	.	.			trans	-66.7	162.7	167.8	30	-36	0	0	0	111.5	L260 L298	P258-L260 HydrophobicContact CG-CD2 4.16Å; P258-L260 WeakPolarHBondContact O-CG 3.46Å; P258-L260 PolarHBondContact O-N 3.28Å; P258-L260 VanDerWaalsContact O-N 3.08Å; P258-L298 HydrophobicContact CG-CD2 4.11Å
259	T	96.5	Very high	96.3	Very high	98 Å²	98	51 Å²	51	60%	0.601	27%	0.272	S	S	*	.			trans	-61.3	111.9	173.2	-56.7	0	0	0	0	110.3	L262 R265	T259-L262 HydrophobicContact CG2-CD2 4.14Å; T259-R265 PolarHBondContact O-NH1 3.12Å
260	L	97	Very high	96.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.			trans	-87.3	-31	-177.7	-59.3	-176.5	0	0	0	113.3	V246 D250 I253 K257 P258 L262 R265 F295 L298 L300	V246-L260 HydrophobicContact CG1-CB 3.96Å; V246-L260 VanDerWaalsContact CG1-O 3.27Å; V246-L260 WeakPolarHBondContact CG1-O 3.36Å; D250-L260 HydrophobicContact CB-CB 4.35Å; D250-L260 HydrophobicContact CB-CD1 4.35Å; I253-L260 HydrophobicContact CD1-CD1 3.77Å; K257-L260 HydrophobicContact CD-CD1 4.47Å; P258-L260 HydrophobicContact CG-CD2 4.16Å; P258-L260 WeakPolarHBondContact O-CG 3.46Å; P258-L260 PolarHBondContact O-N 3.28Å; P258-L260 VanDerWaalsContact O-N 3.08Å; L260-L262 PolarHBondContact O-N 2.99Å; L260-R265 WeakPolarHBondContact O-CD 3.39Å; L260-F295 HydrophobicContact CD1-CZ 4.28Å; L260-F295 HydrophobicContact CD2-CE2 4.4Å; L260-L298 HydrophobicContact CD2-CD2 3.87Å; L260-L300 HydrophobicContact CD1-CD2 3.76Å; L260-L300 HydrophobicContact CD2-CD2 4.22Å
261	T	96.5	Very high	96.4	Very high	53 Å²	53	54.4 Å²	54.4	33%	0.325	28%	0.282	S	S	.	.			trans	-82.2	40	-169.7	56.2	0	0	0	0	113.8	L247 D250	L247-T261 HydrophobicContact CB-CG2 4.01Å; L247-T261 HydrophobicContact CD1-CG2 3.88Å; D250-T261 HydrophobicContact CB-CG2 4.12Å
262	L	98	Very high	96.5	Very high	55 Å²	55	54.1 Å²	54.1	29%	0.288	28%	0.281	S	S	.	.			trans	-71.7	141.8	174.4	-60	177.8	0	0	0	110.2	T259 L260 H264 R265	T259-L262 HydrophobicContact CG2-CD2 4.14Å; L260-L262 PolarHBondContact O-N 2.99Å; L262-H264 PolarHBondContact O-N 3.44Å; L262-H264 VanDerWaalsContact O-N 3.12Å; L262-R265 HydrophobicContact CB-CB 4.17Å; L262-R265 PolarHBondContact O-N 3.23Å
263	P	98	Very high	96.6	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.143	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.1	-175.6	-29	36.3	0	0	0	115.3	N59 K96 H242	N59-P263 WeakPolarHBondContact O-CB 3.35Å; K96-P263 HydrophobicContact CG-CB 3.84Å; H242-P263 PolarHBondContact NE2-O 3.34Å
264	H	98	Very high	96.6	Very high	30 Å²	30	50 Å²	50	14%	0.139	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.5	180	58.9	-87.9	0	0	0	114.1	N59 K60 L262 N296 D297	N59-H264 HydrophobicContact CB-CB 3.7Å; K60-H264 VanDerWaalsContact CE-CD2 3.44Å; K60-H264 WeakPolarHBondContact CE-CD2 3.46Å; K60-H264 WeakPolarHBondContact CE-NE2 3.37Å; K60-H264 HydrophobicContact CG-CB 3.79Å; K60-H264 WeakPolarHBondContact CG-ND1 3.48Å; L262-H264 PolarHBondContact O-N 3.44Å; L262-H264 VanDerWaalsContact O-N 3.12Å; H264-N296 PolarHBondContact O-ND2 3.47Å; H264-D297 IonicContact NE2-OD2 2.75Å
265	R	98.4	Very high	96.8	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.068	25%	0.254	C	S	.	.			trans	-85.3	123.1	-177.4	-173.9	166.1	-65.9	153	2.9	110.3	H242 V246 T259 L260 L262 F295 N296 D297	H242-R265 PolarHBondContact CD2-O 3.39Å; V246-R265 WeakPolarHBondContact CG2-O 3.46Å; T259-R265 PolarHBondContact O-NH1 3.12Å; L260-R265 WeakPolarHBondContact O-CD 3.39Å; L262-R265 HydrophobicContact CB-CB 4.17Å; L262-R265 PolarHBondContact O-N 3.23Å; R265-F295 HydrophobicContact CG-CB 3.81Å; R265-F295 HydrophobicContact CG-CD1 3.62Å; R265-F295 HydrophobicContact CG-CE1 4.46Å; R265-F295 HydrophobicContact CG-CG 3.89Å; R265-N296 WeakPolarHBondContact CA-OD1 3.37Å; R265-D297 WeakPolarHBondContact CD-OD1 3.27Å; R265-D297 WeakPolarHBondContact CG-OD1 3.39Å; R265-D297 IonicContact CZ-OD1 3.88Å; R265-D297 IonicContact CZ-OD2 3.06Å; R265-D297 VanDerWaalsContact CZ-OD2 3.32Å; R265-D297 VanDerWaalsContact NE-CG 3.34Å; R265-D297 IonicContact NE-OD1 2.83Å; R265-D297 PolarHBondContact NE-OD1 3.15Å; R265-D297 IonicContact NE-OD2 3.68Å; R265-D297 PolarHBondContact NE-OD2 3Å; R265-D297 VanDerWaalsContact NE-OD2 3.08Å; R265-D297 IonicContact NH2-OD1 3.3Å; R265-D297 IonicContact NH2-OD2 2.92Å; R265-D297 PolarHBondContact NH2-OD2 3.19Å
266	R	98.3	Very high	96.9	Very high	54 Å²	54	46.7 Å²	46.7	20%	0.204	24%	0.235	C	C	.	.			trans	-118.6	141.2	174.7	66.4	-180	-176.8	78.5	5	110	H242 I268 F295 N296 E373	H242-R266 HydrophobicContact CB-CB 4.25Å; R266-I268 VanDerWaalsContact NH1-CG1 3.3Å; R266-F295 WeakPolarHBondContact O-CA 3.48Å; R266-F295 WeakPolarHBondContact O-CB 3.41Å; R266-N296 HydrophobicContact CG-CB 3.73Å; R266-N296 PolarHBondContact N-OD1 2.77Å; R266-N296 PolarHBondContact O-N 2.7Å; R266-N296 VanDerWaalsContact O-N 3.14Å; R266-N296 PolarHBondContact O-OD1 3.43Å; R266-E373 IonicContact CZ-OE1 2.8Å; R266-E373 IonicContact CZ-OE2 3.88Å; R266-E373 IonicContact NE-OE1 3.23Å; R266-E373 PolarHBondContact NE-OE1 3.08Å; R266-E373 IonicContact NH2-OE1 2.8Å; R266-E373 PolarHBondContact NH2-OE1 3.3Å; R266-E373 IonicContact NH2-OE2 3.66Å; R266-E373 PolarHBondContact NH2-OE2 3.4Å
267	L	98.3	Very high	96.9	Very high	46 Å²	46	44.7 Å²	44.7	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.6	168.7	-176.6	71.6	0	0	0	109.1	V246 V249 F293 F295	V246-L267 HydrophobicContact CG2-CB 4.47Å; V249-L267 HydrophobicContact CG2-CD2 4.01Å; L267-F293 HydrophobicContact CD1-CB 4.17Å; L267-F293 HydrophobicContact CD1-CD1 4.19Å; L267-F295 HydrophobicContact CB-CD1 4.29Å; L267-F295 HydrophobicContact CB-CE1 4.23Å; L267-F295 HydrophobicContact CD1-CD1 4.22Å; L267-F295 HydrophobicContact CD1-CE1 3.9Å; L267-F295 HydrophobicContact CD1-CZ 4.15Å
268	I	98.3	Very high	96.8	Very high	41 Å²	41	44.6 Å²	44.6	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-63.2	174.4	-49.4	-157.1	0	0	0	109.3	R266 L294 N296 D366 A370	R266-I268 VanDerWaalsContact NH1-CG1 3.3Å; I268-L294 HydrophobicContact CB-CB 4.4Å; I268-L294 HydrophobicContact CB-CD2 4.17Å; I268-L294 HydrophobicContact CB-CG 4.04Å; I268-L294 WeakPolarHBondContact CB-O 3.45Å; I268-L294 HydrophobicContact CD1-CD2 4.38Å; I268-L294 HydrophobicContact CD1-CG 4.25Å; I268-L294 HydrophobicContact CG1-CG 4.24Å; I268-L294 HydrophobicContact CG2-CD2 4.23Å; I268-L294 PolarHBondContact N-O 3.49Å; I268-N296 HydrophobicContact CD1-CB 4.27Å; I268-D366 HydrophobicContact CG2-CB 4.04Å; I268-A370 HydrophobicContact CD1-CB 3.54Å
269	C	97.8	Very high	96.7	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	167.6	-178	72.8	0	0	0	0	111.9	L294 D366	C269-L294 PolarHBondContact N-O 3.08Å; C269-L294 PolarHBondContact O-N 3.39Å; C269-D366 WeakPolarHBondContact CB-OD2 3.49Å; C269-D366 PolarHBondContact SG-OD2 3.24Å
270	Y	96.9	Very high	96.4	Very high	99 Å²	99	49.6 Å²	49.6	39%	0.388	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.9	175.9	157.1	-100.3	0	0	0	108	E291 A292 F293	Y270-E291 HydrophobicContact CE2-CB 4.07Å; Y270-E291 VanDerWaalsContact CE2-OE2 3.24Å; Y270-E291 WeakPolarHBondContact CE2-OE2 3.38Å; Y270-E291 VanDerWaalsContact OH-CD 3.26Å; Y270-E291 PolarHBondContact OH-OE2 2.84Å; Y270-A292 WeakPolarHBondContact CA-O 3.43Å; Y270-F293 AromaticContact CD2-CD1 3.75Å; Y270-F293 HydrophobicContact CD2-CD1 3.75Å; Y270-F293 HydrophobicContact CD2-CD2 4.45Å; Y270-F293 AromaticContact CD2-CE1 3.35Å; Y270-F293 HydrophobicContact CD2-CE1 3.35Å; Y270-F293 HydrophobicContact CD2-CE2 4.11Å; Y270-F293 HydrophobicContact CD2-CG 4.28Å; Y270-F293 AromaticContact CD2-CZ 3.55Å; Y270-F293 HydrophobicContact CD2-CZ 3.55Å; Y270-F293 AromaticContact CE2-CE1 3.98Å; Y270-F293 HydrophobicContact CE2-CE1 3.98Å; Y270-F293 HydrophobicContact CE2-CE2 4.24Å; Y270-F293 AromaticContact CE2-CZ 3.72Å; Y270-F293 HydrophobicContact CE2-CZ 3.72Å; Y270-F293 HydrophobicContact CG-CD1 4.34Å; Y270-F293 HydrophobicContact CG-CE1 4.04Å
271	I	97.3	Very high	96.2	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.097	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	144	-178.1	-174.2	168.7	0	0	0	110.9	L273 A292 D359 F363	I271-L273 HydrophobicContact CD1-CD2 3.9Å; I271-L273 HydrophobicContact CG1-CD2 4.12Å; I271-L273 HydrophobicContact CG1-CG 4.35Å; I271-L273 HydrophobicContact CG2-CD1 4.16Å; I271-L273 HydrophobicContact CG2-CD2 4.47Å; I271-L273 HydrophobicContact CG2-CG 4.05Å; I271-A292 HydrophobicContact CG2-CB 3.96Å; I271-A292 PolarHBondContact N-O 2.89Å; I271-A292 PolarHBondContact O-N 3.31Å; I271-D359 HydrophobicContact CD1-CB 4Å; I271-F363 HydrophobicContact CD1-CB 3.8Å; I271-F363 HydrophobicContact CD1-CG 4.24Å; I271-F363 HydrophobicContact CG2-CD2 3.5Å; I271-F363 VanDerWaalsContact CG2-CD2 3.5Å; I271-F363 HydrophobicContact CG2-CE2 3.74Å; I271-F363 HydrophobicContact CG2-CG 4.04Å; I271-F363 HydrophobicContact CG2-CZ 4.47Å
272	R	96.2	Very high	95.9	Very high	115 Å²	115	64.2 Å²	64.2	43%	0.434	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.2	167.5	-179.4	177.3	-67.1	163	2.5	109.5	R290 E291	R272-R290 WeakPolarHBondContact CA-O 3.39Å; R272-E291 IonicContact CZ-OE1 2.75Å; R272-E291 VanDerWaalsContact CZ-OE1 3.23Å; R272-E291 IonicContact NE-OE1 3.78Å; R272-E291 PolarHBondContact NE-OE1 3.41Å; R272-E291 IonicContact NE-OE2 2.87Å; R272-E291 IonicContact NH2-OE1 2.75Å; R272-E291 PolarHBondContact NH2-OE1 3.25Å
273	L	96.4	Very high	95.7	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.4	177.1	-64.8	174.4	0	0	0	110.2	I271 R290 A292 F352 A354 F363	I271-L273 HydrophobicContact CD1-CD2 3.9Å; I271-L273 HydrophobicContact CG1-CD2 4.12Å; I271-L273 HydrophobicContact CG1-CG 4.35Å; I271-L273 HydrophobicContact CG2-CD1 4.16Å; I271-L273 HydrophobicContact CG2-CD2 4.47Å; I271-L273 HydrophobicContact CG2-CG 4.05Å; L273-R290 PolarHBondContact N-O 3.37Å; L273-R290 PolarHBondContact O-N 3.12Å; L273-A292 HydrophobicContact CD1-CB 4.15Å; L273-F352 HydrophobicContact CB-CB 4.13Å; L273-F352 HydrophobicContact CB-CD1 3.87Å; L273-F352 HydrophobicContact CB-CG 4.24Å; L273-F352 HydrophobicContact CD1-CB 4.17Å; L273-F352 HydrophobicContact CD1-CD1 4.23Å; L273-F352 HydrophobicContact CD1-CD2 4.47Å; L273-F352 HydrophobicContact CD1-CG 4.03Å; L273-A354 HydrophobicContact CD2-CB 4.09Å; L273-F363 HydrophobicContact CD1-CD1 4.26Å; L273-F363 HydrophobicContact CD1-CE1 3.81Å; L273-F363 HydrophobicContact CD1-CZ 4.06Å
274	T	96.3	Very high	95.2	Very high	24 Å²	24	65.2 Å²	65.2	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.2	168.4	-64.8	0	0	0	0	108.2	V276 A287 F352 N353	T274-V276 PolarHBondContact O-N 2.82Å; T274-A287 WeakPolarHBondContact CG2-O 3.46Å; T274-F352 CarbonylContact O-C 3.53Å; T274-F352 VanDerWaalsContact O-CA 3.22Å; T274-F352 WeakPolarHBondContact O-CA 3.48Å; T274-N353 PolarHBondContact N-O 2.75Å; T274-N353 PolarHBondContact O-N 3.29Å
275	E	96.7	Very high	94.4	Very high	22 Å²	22	68.6 Å²	68.6	10%	0.103	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.5	176.2	-175.9	-173.3	172.7	0	0	109.7	Q283 H288 R290 H351 F352	E275-Q283 PolarHBondContact O-NE2 3.21Å; E275-H288 HydrophobicContact CB-CB 3.91Å; E275-H288 WeakPolarHBondContact CB-O 3.25Å; E275-H288 PolarHBondContact N-O 3.45Å; E275-H288 WeakPolarHBondContact O-CB 3.35Å; E275-R290 HydrophobicContact CB-CG 3.99Å; E275-R290 IonicContact OE2-CZ 3.32Å; E275-R290 IonicContact OE2-NE 3.08Å; E275-R290 PolarHBondContact OE2-NE 2.87Å; E275-R290 IonicContact OE2-NH2 2.72Å; E275-R290 PolarHBondContact OE2-NH2 2.89Å; E275-H351 CarbonylContact C-O 3.59Å; E275-F352 HydrophobicContact CB-CD1 3.85Å; E275-F352 HydrophobicContact CB-CE1 3.69Å; E275-F352 HydrophobicContact CG-CD1 4.3Å; E275-F352 HydrophobicContact CG-CE1 3.85Å; E275-F352 HydrophobicContact CG-CZ 4.48Å
276	V	96.1	Very high	93.7	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.024	34%	0.344	C	S	.	.			trans	-101.5	114.5	-176.1	177.6	0	0	0	0	108.5	T274 P279 Y335 H351 N353	T274-V276 PolarHBondContact O-N 2.82Å; V276-P279 HydrophobicContact CG1-CG 4.39Å; V276-Y335 HydrophobicContact CG1-CD2 3.97Å; V276-Y335 HydrophobicContact CG1-CE1 4.23Å; V276-Y335 HydrophobicContact CG1-CE2 3.55Å; V276-Y335 HydrophobicContact CG1-CG 4.48Å; V276-Y335 HydrophobicContact CG2-CD1 3.77Å; V276-Y335 HydrophobicContact CG2-CD2 4.46Å; V276-Y335 HydrophobicContact CG2-CE1 3.66Å; V276-Y335 HydrophobicContact CG2-CE2 4.4Å; V276-Y335 HydrophobicContact CG2-CG 4.17Å; V276-H351 HydrophobicContact CB-CB 3.95Å; V276-H351 HydrophobicContact CG1-CB 4.45Å; V276-H351 PolarHBondContact N-O 3.43Å; V276-H351 WeakPolarHBondContact O-CB 3.32Å; V276-N353 HydrophobicContact CG2-CB 3.96Å
277	L	93.9	Very high	93.3	Very high	112 Å²	112	71.2 Å²	71.2	59%	0.586	35%	0.345	S	S	*	.	S	Bend	trans	-74.4	-36.6	-178.7	-60.5	-177.1	0	0	0	112.3
278	D	93.1	Very high	93.1	Very high	53 Å²	53	72.6 Å²	72.6	28%	0.283	35%	0.35	S	S	.	.			trans	-140.1	110.7	175.9	-179.4	-9	0	0	0	109.3	R280 R281	D278-R280 PolarHBondContact O-N 3.32Å; D278-R280 WeakPolarHBondContact OD1-CB 3.37Å; D278-R280 PolarHBondContact OD1-N 3.32Å; D278-R281 HydrophobicContact CB-CB 4.2Å; D278-R281 HydrophobicContact CB-CG 4.35Å; D278-R281 PolarHBondContact O-N 2.97Å; D278-R281 VanDerWaalsContact O-N 3.08Å; D278-R281 WeakPolarHBondContact OD2-CD 3.47Å; D278-R281 VanDerWaalsContact OD2-CG 3.27Å; D278-R281 WeakPolarHBondContact OD2-CG 3.38Å
279	P	92.3	Very high	92.9	Very high	26 Å²	26	73.7 Å²	73.7	17%	0.169	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.1	179.4	-28.5	36.8	0	0	0	115.5	V276 F330 H351	V276-P279 HydrophobicContact CG1-CG 4.39Å; P279-F330 HydrophobicContact CB-CD2 4.38Å; P279-F330 HydrophobicContact CB-CE2 3.85Å; P279-F330 HydrophobicContact CB-CZ 4.26Å; P279-F330 HydrophobicContact CG-CE2 4.44Å; P279-F330 HydrophobicContact CG-CZ 4.38Å; P279-H351 HydrophobicContact CG-CB 4.06Å; P279-H351 WeakPolarHBondContact CG-CD2 3.3Å
280	R	90.7	Very high	92.8	Very high	222 Å²	222	73.6 Å²	73.6	84%	0.838	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.3	-177.8	-50.9	174.6	-145.1	-175.5	4.9	112.8	D278	D278-R280 PolarHBondContact O-N 3.32Å; D278-R280 WeakPolarHBondContact OD1-CB 3.37Å; D278-R280 PolarHBondContact OD1-N 3.32Å
281	R	92.3	Very high	92.8	Very high	183 Å²	183	69 Å²	69	69%	0.691	33%	0.333	S	S	*	.	S	Bend	trans	-113.4	135.2	-173.6	-65.8	-178.4	72.1	179.5	3.2	110.9	D278 Y335	D278-R281 HydrophobicContact CB-CB 4.2Å; D278-R281 HydrophobicContact CB-CG 4.35Å; D278-R281 PolarHBondContact O-N 2.97Å; D278-R281 VanDerWaalsContact O-N 3.08Å; D278-R281 WeakPolarHBondContact OD2-CD 3.47Å; D278-R281 VanDerWaalsContact OD2-CG 3.27Å; D278-R281 WeakPolarHBondContact OD2-CG 3.38Å; R281-Y335 WeakPolarHBondContact O-CE2 3.06Å; R281-Y335 PolarHBondContact O-OH 2.85Å
282	K	91.1	Very high	92.8	Very high	178 Å²	178	68 Å²	68	77%	0.774	33%	0.328	S	S	*	.			trans	-70	132.5	174.2	-173.8	174.2	-177.7	179.5	0	111.3	V334	K282-V334 HydrophobicContact CB-CG1 3.77Å; K282-V334 HydrophobicContact CB-CG2 4.38Å; K282-V334 HydrophobicContact CG-CG1 3.84Å
283	Q	92.5	Very high	92.9	Very high	36 Å²	36	63 Å²	63	17%	0.168	31%	0.309	C	S	.	.			trans	-119.6	166	169.4	80.5	-167.6	41.7	0	0	110.6	E275 A287 Y335	E275-Q283 PolarHBondContact O-NE2 3.21Å; Q283-A287 HydrophobicContact CG-CB 4.45Å; Q283-A287 PolarHBondContact NE2-O 3.03Å; Q283-Y335 HydrophobicContact CG-CE1 4.45Å; Q283-Y335 VanDerWaalsContact CG-OH 3.24Å; Q283-Y335 WeakPolarHBondContact CG-OH 3.12Å; Q283-Y335 PolarHBondContact N-OH 2.83Å; Q283-Y335 PolarHBondContact OE1-OH 3.41Å
284	S	89.3	Confident	93	Very high	61 Å²	61	62.9 Å²	62.9	43%	0.427	31%	0.308	S	S	.	.			trans	-60.2	137	173.5	172.3	0	0	0	0	110.7	T286 A287	S284-T286 PolarHBondContact O-N 3.16Å; S284-T286 PolarHBondContact OG-N 3.34Å; S284-T286 PolarHBondContact OG-OG1 3.39Å; S284-A287 VanDerWaalsContact O-CB 3.3Å; S284-A287 WeakPolarHBondContact O-CB 3.44Å; S284-A287 PolarHBondContact O-N 3.16Å
285	P	79.5	Confident	93.2	Very high	102 Å²	102	61.7 Å²	61.7	66%	0.662	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.3	176.5	-25.3	34.3	0	0	0	114.6
286	T	84.2	Confident	93.2	Very high	98 Å²	98	60.9 Å²	60.9	60%	0.601	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-10.4	177.2	58.9	0	0	0	0	113.3	S284	S284-T286 PolarHBondContact O-N 3.16Å; S284-T286 PolarHBondContact OG-N 3.34Å; S284-T286 PolarHBondContact OG-OG1 3.39Å
287	A	90	Very high	93.3	Very high	28 Å²	28	61.8 Å²	61.8	23%	0.231	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	138.4	177.3	0	0	0	0	0	110.1	T274 Q283 S284 Q289	T274-A287 WeakPolarHBondContact CG2-O 3.46Å; Q283-A287 HydrophobicContact CG-CB 4.45Å; Q283-A287 PolarHBondContact NE2-O 3.03Å; S284-A287 VanDerWaalsContact O-CB 3.3Å; S284-A287 WeakPolarHBondContact O-CB 3.44Å; S284-A287 PolarHBondContact O-N 3.16Å; A287-Q289 PolarHBondContact O-N 3.26Å; A287-Q289 VanDerWaalsContact O-N 3.15Å
288	H	93.4	Very high	93.5	Very high	76 Å²	76	57.1 Å²	57.1	35%	0.352	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.4	176.8	-50.7	-92.2	0	0	0	115.4	E275 R290	E275-H288 HydrophobicContact CB-CB 3.91Å; E275-H288 WeakPolarHBondContact CB-O 3.25Å; E275-H288 PolarHBondContact N-O 3.45Å; E275-H288 WeakPolarHBondContact O-CB 3.35Å; H288-R290 PolarHBondContact O-N 2.97Å; H288-R290 PolarHBondContact O-NH1 3.42Å
289	Q	94.8	Very high	93.7	Very high	63 Å²	63	54.7 Å²	54.7	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	131.2	168.4	-72	-177.9	-25	0	0	110.6	A287	A287-Q289 PolarHBondContact O-N 3.26Å; A287-Q289 VanDerWaalsContact O-N 3.15Å
290	R	96.5	Very high	94	Very high	23 Å²	23	53.4 Å²	53.4	9%	0.087	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.8	178	-62.6	-64.3	174.1	-94	-5.2	109.8	R272 L273 E275 H288 T302 F352	R272-R290 WeakPolarHBondContact CA-O 3.39Å; L273-R290 PolarHBondContact N-O 3.37Å; L273-R290 PolarHBondContact O-N 3.12Å; E275-R290 HydrophobicContact CB-CG 3.99Å; E275-R290 IonicContact OE2-CZ 3.32Å; E275-R290 IonicContact OE2-NE 3.08Å; E275-R290 PolarHBondContact OE2-NE 2.87Å; E275-R290 IonicContact OE2-NH2 2.72Å; E275-R290 PolarHBondContact OE2-NH2 2.89Å; H288-R290 PolarHBondContact O-N 2.97Å; H288-R290 PolarHBondContact O-NH1 3.42Å; R290-T302 CarbonylContact C-O 3.46Å; R290-T302 VanDerWaalsContact CA-O 3.24Å; R290-T302 WeakPolarHBondContact CA-O 3.28Å; R290-F352 HydrophobicContact CG-CE1 4.28Å
291	E	96.6	Very high	94.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102.3	172.6	-61.4	-67.3	-178.7	0	0	105.4	Y270 R272 F293 T302 I304 Y314	Y270-E291 HydrophobicContact CE2-CB 4.07Å; Y270-E291 VanDerWaalsContact CE2-OE2 3.24Å; Y270-E291 WeakPolarHBondContact CE2-OE2 3.38Å; Y270-E291 VanDerWaalsContact OH-CD 3.26Å; Y270-E291 PolarHBondContact OH-OE2 2.84Å; R272-E291 IonicContact CZ-OE1 2.75Å; R272-E291 VanDerWaalsContact CZ-OE1 3.23Å; R272-E291 IonicContact NE-OE1 3.78Å; R272-E291 PolarHBondContact NE-OE1 3.41Å; R272-E291 IonicContact NE-OE2 2.87Å; R272-E291 IonicContact NH2-OE1 2.75Å; R272-E291 PolarHBondContact NH2-OE1 3.25Å; E291-F293 HydrophobicContact CB-CE2 4.28Å; E291-T302 VanDerWaalsContact CB-OG1 3.3Å; E291-T302 WeakPolarHBondContact CB-OG1 3.07Å; E291-T302 PolarHBondContact N-O 2.98Å; E291-T302 PolarHBondContact O-N 2.75Å; E291-T302 PolarHBondContact O-OG1 2.86Å; E291-I304 HydrophobicContact CG-CB 4.22Å; E291-Y314 HydrophobicContact CB-CD1 3.85Å; E291-Y314 HydrophobicContact CB-CE1 3.96Å; E291-Y314 HydrophobicContact CG-CD1 3.84Å; E291-Y314 HydrophobicContact CG-CE1 3.76Å
292	A	97.7	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.1	-175.2	0	0	0	0	0	110	Y270 I271 L273 L299 L300 L301	Y270-A292 WeakPolarHBondContact CA-O 3.43Å; I271-A292 HydrophobicContact CG2-CB 3.96Å; I271-A292 PolarHBondContact N-O 2.89Å; I271-A292 PolarHBondContact O-N 3.31Å; L273-A292 HydrophobicContact CD1-CB 4.15Å; A292-L299 HydrophobicContact CB-CD1 4.43Å; A292-L300 CarbonylContact C-O 3.59Å; A292-L300 WeakPolarHBondContact CA-O 3.35Å; A292-L301 HydrophobicContact CB-CD2 3.65Å
293	F	98.3	Very high	94.8	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.3	173.1	-61.7	-93.2	0	0	0	107.8	V249 L267 Y270 E291 F295 L300 T302 Y314	V249-F293 HydrophobicContact CG1-CD1 3.67Å; V249-F293 HydrophobicContact CG1-CE1 3.75Å; V249-F293 HydrophobicContact CG1-CG 4.21Å; V249-F293 HydrophobicContact CG1-CZ 4.35Å; V249-F293 HydrophobicContact CG2-CE1 4.46Å; L267-F293 HydrophobicContact CD1-CB 4.17Å; L267-F293 HydrophobicContact CD1-CD1 4.19Å; Y270-F293 AromaticContact CD2-CD1 3.75Å; Y270-F293 HydrophobicContact CD2-CD1 3.75Å; Y270-F293 HydrophobicContact CD2-CD2 4.45Å; Y270-F293 AromaticContact CD2-CE1 3.35Å; Y270-F293 HydrophobicContact CD2-CE1 3.35Å; Y270-F293 HydrophobicContact CD2-CE2 4.11Å; Y270-F293 HydrophobicContact CD2-CG 4.28Å; Y270-F293 AromaticContact CD2-CZ 3.55Å; Y270-F293 HydrophobicContact CD2-CZ 3.55Å; Y270-F293 AromaticContact CE2-CE1 3.98Å; Y270-F293 HydrophobicContact CE2-CE1 3.98Å; Y270-F293 HydrophobicContact CE2-CE2 4.24Å; Y270-F293 AromaticContact CE2-CZ 3.72Å; Y270-F293 HydrophobicContact CE2-CZ 3.72Å; Y270-F293 HydrophobicContact CG-CD1 4.34Å; Y270-F293 HydrophobicContact CG-CE1 4.04Å; E291-F293 HydrophobicContact CB-CE2 4.28Å; F293-F295 HydrophobicContact CB-CE2 3.84Å; F293-F295 HydrophobicContact CB-CZ 4.22Å; F293-L300 HydrophobicContact CB-CB 4.25Å; F293-L300 PolarHBondContact N-O 3.5Å; F293-L300 PolarHBondContact O-N 3.07Å; F293-T302 HydrophobicContact CD2-CG2 4.29Å; F293-T302 HydrophobicContact CE2-CG2 4.28Å; F293-Y314 HydrophobicContact CE2-CD1 4.4Å; F293-Y314 HydrophobicContact CE2-CD2 4.28Å; F293-Y314 HydrophobicContact CE2-CG 4.23Å; F293-Y314 HydrophobicContact CZ-CD1 4.41Å; F293-Y314 AromaticContact CZ-CD2 3.89Å; F293-Y314 HydrophobicContact CZ-CD2 3.89Å; F293-Y314 HydrophobicContact CZ-CE1 4.29Å; F293-Y314 AromaticContact CZ-CE2 3.72Å; F293-Y314 HydrophobicContact CZ-CE2 3.72Å; F293-Y314 HydrophobicContact CZ-CG 4.23Å; F293-Y314 AromaticContact CZ-CZ 3.94Å
294	L	98.6	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.5	175.4	179.2	60.1	0	0	0	109	I268 C269 L299 L322 D366 L367 A370	I268-L294 HydrophobicContact CB-CB 4.4Å; I268-L294 HydrophobicContact CB-CD2 4.17Å; I268-L294 HydrophobicContact CB-CG 4.04Å; I268-L294 WeakPolarHBondContact CB-O 3.45Å; I268-L294 HydrophobicContact CD1-CD2 4.38Å; I268-L294 HydrophobicContact CD1-CG 4.25Å; I268-L294 HydrophobicContact CG1-CG 4.24Å; I268-L294 HydrophobicContact CG2-CD2 4.23Å; I268-L294 PolarHBondContact N-O 3.49Å; C269-L294 PolarHBondContact N-O 3.08Å; C269-L294 PolarHBondContact O-N 3.39Å; L294-L299 HydrophobicContact CD1-CD1 4.38Å; L294-L322 HydrophobicContact CD1-CD1 4.34Å; L294-L322 HydrophobicContact CD1-CD2 4.27Å; L294-D366 HydrophobicContact CD2-CB 3.92Å; L294-L367 HydrophobicContact CD1-CD1 3.56Å; L294-L367 HydrophobicContact CD2-CB 4.09Å; L294-L367 HydrophobicContact CD2-CD1 4.29Å; L294-A370 HydrophobicContact CD1-CB 4.35Å; L294-A370 HydrophobicContact CD2-CB 4.32Å
295	F	98.6	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	169.1	166.4	-56.4	-89.2	0	0	0	109.7	V246 V249 L260 R265 R266 L267 F293 D297 L298 L300	V246-F295 HydrophobicContact CB-CE1 4.45Å; V246-F295 HydrophobicContact CG1-CE1 3.86Å; V246-F295 HydrophobicContact CG2-CD1 4.26Å; V246-F295 HydrophobicContact CG2-CE1 3.99Å; V249-F295 HydrophobicContact CG1-CZ 4.39Å; L260-F295 HydrophobicContact CD1-CZ 4.28Å; L260-F295 HydrophobicContact CD2-CE2 4.4Å; R265-F295 HydrophobicContact CG-CB 3.81Å; R265-F295 HydrophobicContact CG-CD1 3.62Å; R265-F295 HydrophobicContact CG-CE1 4.46Å; R265-F295 HydrophobicContact CG-CG 3.89Å; R266-F295 WeakPolarHBondContact O-CA 3.48Å; R266-F295 WeakPolarHBondContact O-CB 3.41Å; L267-F295 HydrophobicContact CB-CD1 4.29Å; L267-F295 HydrophobicContact CB-CE1 4.23Å; L267-F295 HydrophobicContact CD1-CD1 4.22Å; L267-F295 HydrophobicContact CD1-CE1 3.9Å; L267-F295 HydrophobicContact CD1-CZ 4.15Å; F293-F295 HydrophobicContact CB-CE2 3.84Å; F293-F295 HydrophobicContact CB-CZ 4.22Å; F295-D297 PolarHBondContact O-N 3.22Å; F295-L298 WeakPolarHBondContact CA-O 3.12Å; F295-L298 HydrophobicContact CB-CB 4.22Å; F295-L298 WeakPolarHBondContact CB-O 3.49Å; F295-L298 HydrophobicContact CD2-CB 4.28Å; F295-L298 HydrophobicContact CD2-CD2 4.39Å; F295-L298 PolarHBondContact N-O 3.39Å; F295-L300 HydrophobicContact CD2-CB 4.39Å; F295-L300 HydrophobicContact CE2-CB 3.93Å; F295-L300 HydrophobicContact CE2-CD2 4.01Å
296	N	98.1	Very high	94.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.172	C	C	.	.	S	Bend	trans	-65.5	-15.9	177.7	60.1	-47.1	0	0	0	115.4	N56 H264 R265 R266 I268	N56-N296 PolarHBondContact ND2-ND2 3.05Å; N56-N296 PolarHBondContact OD1-ND2 3.32Å; H264-N296 PolarHBondContact O-ND2 3.47Å; R265-N296 WeakPolarHBondContact CA-OD1 3.37Å; R266-N296 HydrophobicContact CG-CB 3.73Å; R266-N296 PolarHBondContact N-OD1 2.77Å; R266-N296 PolarHBondContact O-N 2.7Å; R266-N296 VanDerWaalsContact O-N 3.14Å; R266-N296 PolarHBondContact O-OD1 3.43Å; I268-N296 HydrophobicContact CD1-CB 4.27Å
297	D	98	Very high	94.2	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.128	17%	0.169	C	C	.	.	S	Bend	trans	-131.7	-1.2	-178	67.7	-31.7	0	0	0	113.1	H264 R265 F295	H264-D297 IonicContact NE2-OD2 2.75Å; R265-D297 WeakPolarHBondContact CD-OD1 3.27Å; R265-D297 WeakPolarHBondContact CG-OD1 3.39Å; R265-D297 IonicContact CZ-OD1 3.88Å; R265-D297 IonicContact CZ-OD2 3.06Å; R265-D297 VanDerWaalsContact CZ-OD2 3.32Å; R265-D297 VanDerWaalsContact NE-CG 3.34Å; R265-D297 IonicContact NE-OD1 2.83Å; R265-D297 PolarHBondContact NE-OD1 3.15Å; R265-D297 IonicContact NE-OD2 3.68Å; R265-D297 PolarHBondContact NE-OD2 3Å; R265-D297 VanDerWaalsContact NE-OD2 3.08Å; R265-D297 IonicContact NH2-OD1 3.3Å; R265-D297 IonicContact NH2-OD2 2.92Å; R265-D297 PolarHBondContact NH2-OD2 3.19Å; F295-D297 PolarHBondContact O-N 3.22Å
298	L	98	Very high	92.8	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	131.8	-170.4	-168.9	78.4	0	0	0	112.2	P258 L260 F295	P258-L298 HydrophobicContact CG-CD2 4.11Å; L260-L298 HydrophobicContact CD2-CD2 3.87Å; F295-L298 WeakPolarHBondContact CA-O 3.12Å; F295-L298 HydrophobicContact CB-CB 4.22Å; F295-L298 WeakPolarHBondContact CB-O 3.49Å; F295-L298 HydrophobicContact CD2-CB 4.28Å; F295-L298 HydrophobicContact CD2-CD2 4.39Å; F295-L298 PolarHBondContact N-O 3.39Å
299	L	98.1	Very high	91.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.8	163.3	178.4	62.5	0	0	0	109.4	A292 L294 L301 S319 H320 L322 M325 I341 F363	A292-L299 HydrophobicContact CB-CD1 4.43Å; L294-L299 HydrophobicContact CD1-CD1 4.38Å; L299-L301 HydrophobicContact CD1-CD2 4.41Å; L299-L301 HydrophobicContact CG-CD2 4.33Å; L299-S319 CarbonylContact O-C 3.58Å; L299-S319 VanDerWaalsContact O-CA 3.27Å; L299-S319 WeakPolarHBondContact O-CA 3.28Å; L299-H320 PolarHBondContact N-O 2.91Å; L299-H320 PolarHBondContact O-N 3.28Å; L299-L322 HydrophobicContact CB-CD2 4.04Å; L299-M325 HydrophobicContact CD2-CE 4.35Å; L299-I341 HydrophobicContact CD2-CD1 3.74Å; L299-F363 HydrophobicContact CD1-CE2 4.4Å; L299-F363 HydrophobicContact CD1-CZ 4.12Å
300	L	98.2	Very high	89.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.1	-178.9	-179.5	70	0	0	0	111.2	I253 L260 A292 F293 F295 T302 Y316	I253-L300 HydrophobicContact CD1-CD2 3.58Å; L260-L300 HydrophobicContact CD1-CD2 3.76Å; L260-L300 HydrophobicContact CD2-CD2 4.22Å; A292-L300 CarbonylContact C-O 3.59Å; A292-L300 WeakPolarHBondContact CA-O 3.35Å; F293-L300 HydrophobicContact CB-CB 4.25Å; F293-L300 PolarHBondContact N-O 3.5Å; F293-L300 PolarHBondContact O-N 3.07Å; F295-L300 HydrophobicContact CD2-CB 4.39Å; F295-L300 HydrophobicContact CE2-CB 3.93Å; F295-L300 HydrophobicContact CE2-CD2 4.01Å; L300-T302 HydrophobicContact CD2-CG2 4.29Å; L300-T302 HydrophobicContact CG-CG2 4.09Å; L300-Y316 HydrophobicContact CD1-CD2 3.68Å; L300-Y316 HydrophobicContact CD1-CE2 3.57Å
301	L	97.9	Very high	88.7	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.3	178.2	-57.4	-179.3	0	0	0	110.7	A292 L299 R317 E318 L350 F352	A292-L301 HydrophobicContact CB-CD2 3.65Å; L299-L301 HydrophobicContact CD1-CD2 4.41Å; L299-L301 HydrophobicContact CG-CD2 4.33Å; L301-R317 WeakPolarHBondContact O-CB 3.49Å; L301-R317 PolarHBondContact O-N 3.38Å; L301-E318 HydrophobicContact CB-CG 3.97Å; L301-E318 HydrophobicContact CD1-CG 3.84Å; L301-E318 HydrophobicContact CG-CG 4.29Å; L301-E318 PolarHBondContact N-O 2.97Å; L301-E318 PolarHBondContact O-N 3.39Å; L301-L350 HydrophobicContact CD1-CD1 4.22Å; L301-F352 HydrophobicContact CD1-CE1 4.17Å; L301-F352 HydrophobicContact CD1-CZ 3.58Å; L301-F352 HydrophobicContact CD2-CZ 4.34Å
302	T	97.4	Very high	87.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	167.4	-179.2	70.1	0	0	0	0	111.4	I253 R290 E291 F293 L300 Q315	I253-T302 HydrophobicContact CG1-CG2 4.44Å; I253-T302 HydrophobicContact CG2-CG2 4.22Å; R290-T302 CarbonylContact C-O 3.46Å; R290-T302 VanDerWaalsContact CA-O 3.24Å; R290-T302 WeakPolarHBondContact CA-O 3.28Å; E291-T302 VanDerWaalsContact CB-OG1 3.3Å; E291-T302 WeakPolarHBondContact CB-OG1 3.07Å; E291-T302 PolarHBondContact N-O 2.98Å; E291-T302 PolarHBondContact O-N 2.75Å; E291-T302 PolarHBondContact O-OG1 2.86Å; F293-T302 HydrophobicContact CD2-CG2 4.29Å; F293-T302 HydrophobicContact CE2-CG2 4.28Å; L300-T302 HydrophobicContact CD2-CG2 4.29Å; L300-T302 HydrophobicContact CG-CG2 4.09Å; T302-Q315 CarbonylContact C-O 3.56Å; T302-Q315 WeakPolarHBondContact CA-O 3.41Å; T302-Q315 VanDerWaalsContact CB-O 3.3Å; T302-Q315 WeakPolarHBondContact CB-O 3.42Å
303	K	95.4	Very high	87.7	Confident	96 Å²	96	62.2 Å²	62.2	42%	0.417	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.8	172	-177.8	-176.1	179.1	179.9	0	109.1	V305 Y314 Q315 R317	K303-V305 PolarHBondContact O-N 2.81Å; K303-Y314 CarbonylContact O-C 3.58Å; K303-Q315 PolarHBondContact N-O 3.34Å; K303-Q315 PolarHBondContact O-N 3.27Å; K303-R317 HydrophobicContact CB-CG 4.24Å
304	I	92.5	Very high	87.5	Confident	56 Å²	56	63.1 Å²	63.1	29%	0.287	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.9	174.1	-164.9	167.1	0	0	0	111.1	E291 A312	E291-I304 HydrophobicContact CG-CB 4.22Å; I304-A312 HydrophobicContact CD1-CB 3.96Å; I304-A312 HydrophobicContact CG1-CB 4.19Å
305	V	88.9	Confident	87.4	Confident	51 Å²	51	66.4 Å²	66.4	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.5	170	-179.1	0	0	0	0	107.1	K303 K307 T313 Q315	K303-V305 PolarHBondContact O-N 2.81Å; V305-K307 PolarHBondContact O-N 3.34Å; V305-T313 PolarHBondContact N-O 2.98Å; V305-T313 PolarHBondContact O-N 3.42Å; V305-T313 PolarHBondContact O-OG1 3.14Å; V305-Q315 HydrophobicContact CG2-CB 3.58Å
306	P	78.1	Confident	87.4	Confident	117 Å²	117	68.7 Å²	68.7	76%	0.76	34%	0.335	S	S	*	.			trans	-65.4	124.5	178.1	26.1	-31.4	0	0	0	109.3
307	K	73	Confident	87.3	Confident	125 Å²	125	74.4 Å²	74.4	54%	0.543	36%	0.357	S	S	.	.			trans	-106.9	144.8	169.4	-75.4	-167.7	174.6	-177.8	0	110	V305 K309 T313	V305-K307 PolarHBondContact O-N 3.34Å; K307-K309 PolarHBondContact O-N 2.91Å; K307-T313 HydrophobicContact CD-CG2 3.74Å; K307-T313 VanDerWaalsContact CE-OG1 3.25Å; K307-T313 WeakPolarHBondContact CE-OG1 3.46Å
308	K	60.7	Low	87.2	Confident	218 Å²	218	74.7 Å²	74.7	95%	0.948	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	11.8	-176.1	-71.9	-173.2	174.3	-177.6	0	116.4
309	K	65.6	Low	87.1	Confident	188 Å²	188	75.5 Å²	75.5	82%	0.817	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.7	48.6	-174.5	-66.7	-167.3	176.4	-176.1	0	115.5	K307 K311	K307-K309 PolarHBondContact O-N 2.91Å; K309-K311 PolarHBondContact O-N 3.47Å
310	N	59.6	Low	87.1	Confident	179 Å²	179	76.4 Å²	76.4	96%	0.957	37%	0.368	S	S	*	.	S	Bend	trans	55.8	15.7	170.3	-129.1	13.2	0	0	0	116.9
311	K	73.3	Confident	87	Confident	171 Å²	171	79.5 Å²	79.5	74%	0.743	39%	0.394	S	S	*	.			trans	-119.4	101.5	172.5	-70	-176	-179	178.9	0	108.3	K309	K309-K311 PolarHBondContact O-N 3.47Å
312	A	80.5	Confident	86.9	Confident	39 Å²	39	79.5 Å²	79.5	32%	0.322	39%	0.394	S	S	.	.			trans	-61.5	135.7	172.8	0	0	0	0	0	110.2	I304	I304-A312 HydrophobicContact CD1-CB 3.96Å; I304-A312 HydrophobicContact CG1-CB 4.19Å
313	T	92.1	Very high	86.8	Confident	15 Å²	15	80.5 Å²	80.5	9%	0.092	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.8	165.6	47	0	0	0	0	109.2	K252 V305 K307	K252-T313 CarbonylContact O-C 3.58Å; K252-T313 WeakPolarHBondContact O-CA 3.33Å; V305-T313 PolarHBondContact N-O 2.98Å; V305-T313 PolarHBondContact O-N 3.42Å; V305-T313 PolarHBondContact O-OG1 3.14Å; K307-T313 HydrophobicContact CD-CG2 3.74Å; K307-T313 VanDerWaalsContact CE-OG1 3.25Å; K307-T313 WeakPolarHBondContact CE-OG1 3.46Å
314	Y	95.4	Very high	86.6	Confident	26 Å²	26	78.7 Å²	78.7	10%	0.102	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.9	-175.1	-56.8	-73.9	0	0	0	109.5	K252 I253 V254 E291 F293 K303	K252-Y314 HydrophobicContact CB-CD2 3.85Å; K252-Y314 HydrophobicContact CB-CE2 4.11Å; K252-Y314 HydrophobicContact CD-CE2 4.21Å; K252-Y314 PolarHBondContact O-N 2.72Å; I253-Y314 CarbonylContact C-O 3.48Å; I253-Y314 VanDerWaalsContact CA-O 3.26Å; I253-Y314 WeakPolarHBondContact CA-O 3.49Å; I253-Y314 HydrophobicContact CG1-CD2 4.33Å; V254-Y314 WeakPolarHBondContact CG2-O 3.47Å; V254-Y314 PolarHBondContact N-O 3.03Å; E291-Y314 HydrophobicContact CB-CD1 3.85Å; E291-Y314 HydrophobicContact CB-CE1 3.96Å; E291-Y314 HydrophobicContact CG-CD1 3.84Å; E291-Y314 HydrophobicContact CG-CE1 3.76Å; F293-Y314 HydrophobicContact CE2-CD1 4.4Å; F293-Y314 HydrophobicContact CE2-CD2 4.28Å; F293-Y314 HydrophobicContact CE2-CG 4.23Å; F293-Y314 HydrophobicContact CZ-CD1 4.41Å; F293-Y314 AromaticContact CZ-CD2 3.89Å; F293-Y314 HydrophobicContact CZ-CD2 3.89Å; F293-Y314 HydrophobicContact CZ-CE1 4.29Å; F293-Y314 AromaticContact CZ-CE2 3.72Å; F293-Y314 HydrophobicContact CZ-CE2 3.72Å; F293-Y314 HydrophobicContact CZ-CG 4.23Å; F293-Y314 AromaticContact CZ-CZ 3.94Å; K303-Y314 CarbonylContact O-C 3.58Å
315	Q	96.1	Very high	86.8	Confident	69 Å²	69	76.3 Å²	76.3	32%	0.322	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.1	170.5	-177.1	64.1	44.1	0	0	108.8	T302 K303 V305	T302-Q315 CarbonylContact C-O 3.56Å; T302-Q315 WeakPolarHBondContact CA-O 3.41Å; T302-Q315 VanDerWaalsContact CB-O 3.3Å; T302-Q315 WeakPolarHBondContact CB-O 3.42Å; K303-Q315 PolarHBondContact N-O 3.34Å; K303-Q315 PolarHBondContact O-N 3.27Å; V305-Q315 HydrophobicContact CG2-CB 3.58Å
316	Y	97.7	Very high	87.1	Confident	48 Å²	48	79.2 Å²	79.2	19%	0.188	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	138.4	170.9	174.2	-99.5	0	0	0	111.6	V254 N256 K257 L300 S319	V254-Y316 WeakPolarHBondContact O-CB 3.33Å; V254-Y316 PolarHBondContact O-N 3.16Å; N256-Y316 WeakPolarHBondContact O-CD1 3.47Å; N256-Y316 WeakPolarHBondContact O-CE1 3.4Å; K257-Y316 HydrophobicContact CB-CD2 3.6Å; K257-Y316 HydrophobicContact CB-CE2 4.16Å; K257-Y316 HydrophobicContact CB-CG 3.95Å; L300-Y316 HydrophobicContact CD1-CD2 3.68Å; L300-Y316 HydrophobicContact CD1-CE2 3.57Å; Y316-S319 PolarHBondContact OH-N 3.13Å; Y316-S319 PolarHBondContact OH-OG 3.47Å
317	R	96.7	Very high	87.9	Confident	124 Å²	124	75.5 Å²	75.5	47%	0.468	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-63.2	174.1	-69.4	-69.9	176.3	178.6	-6.9	111.6	L301 K303	L301-R317 WeakPolarHBondContact O-CB 3.49Å; L301-R317 PolarHBondContact O-N 3.38Å; K303-R317 HydrophobicContact CB-CG 4.24Å
318	E	96.1	Very high	89	Confident	30 Å²	30	70.7 Å²	70.7	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	162.7	-179.1	61.4	-171.5	148.9	0	0	109.7	L301 H320 R348	L301-E318 HydrophobicContact CB-CG 3.97Å; L301-E318 HydrophobicContact CD1-CG 3.84Å; L301-E318 HydrophobicContact CG-CG 4.29Å; L301-E318 PolarHBondContact N-O 2.97Å; L301-E318 PolarHBondContact O-N 3.39Å; E318-H320 IonicContact OE2-CE1 2.67Å; E318-H320 IonicContact OE2-NE2 2.88Å; E318-H320 PolarHBondContact OE2-NE2 3.31Å; E318-R348 IonicContact OE1-NH2 3.98Å; E318-R348 IonicContact OE2-CZ 3.84Å; E318-R348 IonicContact OE2-NH1 2.86Å; E318-R348 PolarHBondContact OE2-NH1 3.35Å; E318-R348 IonicContact OE2-NH2 3.67Å; E318-R348 PolarHBondContact OE2-NH2 2.79Å
319	S	96.9	Very high	90.7	Very high	31 Å²	31	65.9 Å²	65.9	22%	0.217	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.4	175.4	62.3	0	0	0	0	110	L299 Y316	L299-S319 CarbonylContact O-C 3.58Å; L299-S319 VanDerWaalsContact O-CA 3.27Å; L299-S319 WeakPolarHBondContact O-CA 3.28Å; Y316-S319 PolarHBondContact OH-N 3.13Å; Y316-S319 PolarHBondContact OH-OG 3.47Å
320	H	96.6	Very high	92.1	Very high	21 Å²	21	57.9 Å²	57.9	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.2	-174.5	-62.1	-66.1	0	0	0	109.8	L299 E318 M325 L343	L299-H320 PolarHBondContact N-O 2.91Å; L299-H320 PolarHBondContact O-N 3.28Å; E318-H320 IonicContact OE2-CE1 2.67Å; E318-H320 IonicContact OE2-NE2 2.88Å; E318-H320 PolarHBondContact OE2-NE2 3.31Å; H320-M325 HydrophobicContact CB-CE 3.91Å; H320-L343 HydrophobicContact CB-CD2 4.07Å; H320-L343 VanDerWaalsContact CE1-CD1 3.4Å; H320-L343 WeakPolarHBondContact CE1-CD1 3.49Å
321	A	96.2	Very high	93.9	Very high	65 Å²	65	53.3 Å²	53.3	54%	0.537	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.5	167.7	0	0	0	0	0	109.4
322	L	97.2	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.275	C	S	.	.			trans	-83.6	-14.9	-177.7	-56.9	-174.9	0	0	0	113.3	L294 L299 G324 M325 L367 A370 I371 N374	L294-L322 HydrophobicContact CD1-CD1 4.34Å; L294-L322 HydrophobicContact CD1-CD2 4.27Å; L299-L322 HydrophobicContact CB-CD2 4.04Å; L322-G324 PolarHBondContact O-N 3.23Å; L322-M325 HydrophobicContact CD2-CE 4.37Å; L322-M325 HydrophobicContact CD2-SD 4.15Å; L322-M325 VanDerWaalsContact O-CB 3.29Å; L322-M325 WeakPolarHBondContact O-CB 3.45Å; L322-M325 PolarHBondContact O-N 3.09Å; L322-M325 VanDerWaalsContact O-N 3.15Å; L322-L367 HydrophobicContact CD2-CD1 3.98Å; L322-A370 HydrophobicContact CD1-CB 3.71Å; L322-I371 HydrophobicContact CB-CG1 4.18Å; L322-N374 HydrophobicContact CB-CB 4.09Å; L322-N374 HydrophobicContact CD1-CB 4.46Å
323	G	93.9	Very high	95.5	Very high	22 Å²	22	51.9 Å²	51.9	23%	0.227	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	124.4	-179.9	0	0	0	0	0	112.2	M325 N374	G323-M325 PolarHBondContact O-N 3.04Å; G323-N374 PolarHBondContact N-ND2 3.33Å
324	G	92	Very high	95.5	Very high	57 Å²	57	54 Å²	54	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	7.4	179.4	0	0	0	0	0	115.7	L322 G344	L322-G324 PolarHBondContact O-N 3.23Å; G324-G344 VanDerWaalsContact C-CA 3.48Å; G324-G344 VanDerWaalsContact O-CA 3.25Å; G324-G344 WeakPolarHBondContact O-CA 3.31Å
325	M	96	Very high	95.5	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.034	31%	0.314	C	S	.	.			trans	-69.9	138.1	176.5	-175.1	177.5	-80	0	0	110.4	L299 H320 L322 G323 V327 I341 R342 L343 L367 I371	L299-M325 HydrophobicContact CD2-CE 4.35Å; H320-M325 HydrophobicContact CB-CE 3.91Å; L322-M325 HydrophobicContact CD2-CE 4.37Å; L322-M325 HydrophobicContact CD2-SD 4.15Å; L322-M325 VanDerWaalsContact O-CB 3.29Å; L322-M325 WeakPolarHBondContact O-CB 3.45Å; L322-M325 PolarHBondContact O-N 3.09Å; L322-M325 VanDerWaalsContact O-N 3.15Å; G323-M325 PolarHBondContact O-N 3.04Å; M325-V327 HydrophobicContact CG-CG1 4.42Å; M325-I341 HydrophobicContact CE-CG2 3.72Å; M325-I341 HydrophobicContact CG-CG2 3.52Å; M325-I341 HydrophobicContact SD-CG2 3.38Å; M325-I341 WeakPolarHBondContact SD-CG2 3.42Å; M325-R342 WeakPolarHBondContact CA-O 3.5Å; M325-L343 HydrophobicContact CE-CD2 3.71Å; M325-L367 HydrophobicContact SD-CD1 4.12Å; M325-L367 HydrophobicContact SD-CD2 4.43Å; M325-I371 HydrophobicContact CB-CD1 3.94Å; M325-I371 HydrophobicContact CB-CG1 4.22Å; M325-I371 HydrophobicContact CG-CD1 3.91Å; M325-I371 HydrophobicContact SD-CD1 4.07Å
326	E	94.8	Very high	95.4	Very high	112 Å²	112	52.4 Å²	52.4	52%	0.523	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138	171.1	-75.1	177.7	-173	0	0	110.5	I341 R342	E326-I341 CarbonylContact O-C 3.59Å; E326-I341 WeakPolarHBondContact O-CA 3.48Å; E326-R342 HydrophobicContact CB-CB 4.22Å; E326-R342 PolarHBondContact N-O 3.03Å; E326-R342 PolarHBondContact O-N 2.87Å; E326-R342 IonicContact OE1-CZ 2.98Å; E326-R342 IonicContact OE1-NH2 2.69Å; E326-R342 PolarHBondContact OE1-NH2 3.16Å; E326-R342 IonicContact OE2-CZ 3.73Å; E326-R342 IonicContact OE2-NE 2.9Å; E326-R342 PolarHBondContact OE2-NE 3.5Å; E326-R342 IonicContact OE2-NH2 2.68Å; E326-R342 PolarHBondContact OE2-NH2 2.94Å
327	V	95.8	Very high	95.4	Very high	38 Å²	38	53.9 Å²	53.9	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.9	-178.2	-62	0	0	0	0	111	M325 R340 I341 L364 L367 D368 I371	M325-V327 HydrophobicContact CG-CG1 4.42Å; V327-R340 WeakPolarHBondContact CA-O 3.27Å; V327-I341 HydrophobicContact CG1-CG1 4.42Å; V327-L364 HydrophobicContact CB-CD2 4.1Å; V327-L367 HydrophobicContact CG1-CD2 3.42Å; V327-L367 VanDerWaalsContact CG1-CD2 3.42Å; V327-L367 HydrophobicContact CG1-CG 3.75Å; V327-D368 HydrophobicContact CG2-CB 4.16Å; V327-I371 HydrophobicContact CG1-CD1 3.63Å; V327-I371 HydrophobicContact CG2-CD1 4.4Å
328	G	95.7	Very high	95.4	Very high	25 Å²	25	48 Å²	48	26%	0.258	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	174.3	175.3	0	0	0	0	0	110.4	R340	G328-R340 PolarHBondContact N-O 3.34Å; G328-R340 PolarHBondContact O-N 3.32Å
329	H	96.1	Very high	95.5	Very high	117 Å²	117	46.5 Å²	46.5	54%	0.542	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	165.3	170.7	66.6	-82.1	0	0	0	110.2	G338 R340 L364	H329-G338 WeakPolarHBondContact CA-O 3.48Å; H329-G338 WeakPolarHBondContact CB-O 3.24Å; H329-R340 PolarHBondContact O-NH2 2.91Å; H329-R340 VanDerWaalsContact O-NH2 3.09Å; H329-L364 HydrophobicContact CB-CD1 3.96Å
330	F	96.5	Very high	95.5	Very high	19 Å²	19	50.6 Å²	50.6	8%	0.083	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.6	163.9	69.7	-84.9	0	0	0	108.3	P279 T332 G338 V339 R340 H351	P279-F330 HydrophobicContact CB-CD2 4.38Å; P279-F330 HydrophobicContact CB-CE2 3.85Å; P279-F330 HydrophobicContact CB-CZ 4.26Å; P279-F330 HydrophobicContact CG-CE2 4.44Å; P279-F330 HydrophobicContact CG-CZ 4.38Å; F330-T332 HydrophobicContact CD2-CG2 4.02Å; F330-T332 HydrophobicContact CE2-CG2 4.3Å; F330-G338 VanDerWaalsContact CE1-CA 3.47Å; F330-G338 PolarHBondContact N-O 2.87Å; F330-G338 CarbonylContact O-C 3.53Å; F330-G338 WeakPolarHBondContact O-CA 3.41Å; F330-G338 PolarHBondContact O-N 3.26Å; F330-G338 VanDerWaalsContact O-N 3.07Å; F330-V339 WeakPolarHBondContact CE1-O 3.32Å; F330-R340 HydrophobicContact CD1-CB 4.21Å; F330-H351 HydrophobicContact CE1-CB 4.03Å; F330-H351 AromaticContact CE1-CD2 3.78Å; F330-H351 HydrophobicContact CZ-CB 4.18Å
331	S	96.1	Very high	95.6	Very high	83 Å²	83	49.6 Å²	49.6	58%	0.58	30%	0.297	S	S	*	.			trans	-140.9	129.6	174.6	-164	0	0	0	0	108.3	Y335 P336	S331-Y335 WeakPolarHBondContact CA-O 3.44Å; S331-P336 PolarHBondContact OG-O 2.75Å
332	T	94.3	Very high	95.6	Very high	37 Å²	37	50.7 Å²	50.7	23%	0.227	29%	0.288	C	S	.	.			trans	-128.1	163.1	169.9	73.6	0	0	0	0	108.7	F330 V334 Y335	F330-T332 HydrophobicContact CD2-CG2 4.02Å; F330-T332 HydrophobicContact CE2-CG2 4.3Å; T332-V334 PolarHBondContact O-N 2.91Å; T332-V334 PolarHBondContact OG1-N 2.72Å; T332-Y335 PolarHBondContact N-O 2.73Å; T332-Y335 CarbonylContact O-C 3.59Å; T332-Y335 VanDerWaalsContact O-C 3.26Å; T332-Y335 PolarHBondContact O-N 2.89Å; T332-Y335 VanDerWaalsContact O-N 3.12Å; T332-Y335 PolarHBondContact OG1-N 3.06Å
333	P	92.8	Very high	95.5	Very high	144 Å²	144	50.9 Å²	50.9	94%	0.935	29%	0.289	S	S	*	.	S	Bend	trans	-54.6	-23.3	173.9	-27.4	35.9	0	0	0	113.8
334	V	92	Very high	95.2	Very high	59 Å²	59	51.2 Å²	51.2	36%	0.358	29%	0.292	S	S	.	.	S	Bend	trans	-92.3	-36.7	179.3	-176.4	0	0	0	0	112.2	K282 T332 P336	K282-V334 HydrophobicContact CB-CG1 3.77Å; K282-V334 HydrophobicContact CB-CG2 4.38Å; K282-V334 HydrophobicContact CG-CG1 3.84Å; T332-V334 PolarHBondContact O-N 2.91Å; T332-V334 PolarHBondContact OG1-N 2.72Å; V334-P336 WeakPolarHBondContact O-CD 3.37Å
335	Y	95.2	Very high	94.7	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.039	31%	0.309	C	S	.	.			trans	-124.9	80.1	-175.9	-56.8	-67.5	0	0	0	109.8	V276 R281 Q283 S331 T332 Y337 N353	V276-Y335 HydrophobicContact CG1-CD2 3.97Å; V276-Y335 HydrophobicContact CG1-CE1 4.23Å; V276-Y335 HydrophobicContact CG1-CE2 3.55Å; V276-Y335 HydrophobicContact CG1-CG 4.48Å; V276-Y335 HydrophobicContact CG2-CD1 3.77Å; V276-Y335 HydrophobicContact CG2-CD2 4.46Å; V276-Y335 HydrophobicContact CG2-CE1 3.66Å; V276-Y335 HydrophobicContact CG2-CE2 4.4Å; V276-Y335 HydrophobicContact CG2-CG 4.17Å; R281-Y335 WeakPolarHBondContact O-CE2 3.06Å; R281-Y335 PolarHBondContact O-OH 2.85Å; Q283-Y335 HydrophobicContact CG-CE1 4.45Å; Q283-Y335 VanDerWaalsContact CG-OH 3.24Å; Q283-Y335 WeakPolarHBondContact CG-OH 3.12Å; Q283-Y335 PolarHBondContact N-OH 2.83Å; Q283-Y335 PolarHBondContact OE1-OH 3.41Å; S331-Y335 WeakPolarHBondContact CA-O 3.44Å; T332-Y335 PolarHBondContact N-O 2.73Å; T332-Y335 CarbonylContact O-C 3.59Å; T332-Y335 VanDerWaalsContact O-C 3.26Å; T332-Y335 PolarHBondContact O-N 2.89Å; T332-Y335 VanDerWaalsContact O-N 3.12Å; T332-Y335 PolarHBondContact OG1-N 3.06Å; Y335-Y337 PolarHBondContact O-N 3.42Å; Y335-N353 WeakPolarHBondContact CA-OD1 3.34Å; Y335-N353 HydrophobicContact CD1-CB 3.81Å; Y335-N353 HydrophobicContact CG-CB 4.44Å
336	P	95.5	Very high	93.9	Very high	52 Å²	52	57.1 Å²	57.1	34%	0.338	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.8	-175.6	24.6	-33.7	0	0	0	113	S331 V334 R360	S331-P336 PolarHBondContact OG-O 2.75Å; V334-P336 WeakPolarHBondContact O-CD 3.37Å; P336-R360 PolarHBondContact O-NH1 3.14Å
337	Y	97.1	Very high	93.4	Very high	78 Å²	78	59.8 Å²	59.8	31%	0.306	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	42.8	-173.7	-45.5	-53.1	0	0	0	111.9	Y335 N353 A354 C356 A357	Y335-Y337 PolarHBondContact O-N 3.42Å; Y337-N353 WeakPolarHBondContact CA-OD1 3.48Å; Y337-N353 PolarHBondContact N-OD1 3.47Å; Y337-N353 VanDerWaalsContact N-OD1 3.12Å; Y337-N353 PolarHBondContact O-OD1 2.56Å; Y337-A354 PolarHBondContact O-N 2.9Å; Y337-C356 VanDerWaalsContact CD2-CA 3.49Å; Y337-A357 HydrophobicContact CD1-CB 3.94Å; Y337-A357 HydrophobicContact CE1-CB 3.75Å
338	G	97.3	Very high	93.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.6	-179.1	0	0	0	0	0	113.7	H329 F330 F352 N353 R360	H329-G338 WeakPolarHBondContact CA-O 3.48Å; H329-G338 WeakPolarHBondContact CB-O 3.24Å; F330-G338 VanDerWaalsContact CE1-CA 3.47Å; F330-G338 PolarHBondContact N-O 2.87Å; F330-G338 CarbonylContact O-C 3.53Å; F330-G338 WeakPolarHBondContact O-CA 3.41Å; F330-G338 PolarHBondContact O-N 3.26Å; F330-G338 VanDerWaalsContact O-N 3.07Å; G338-F352 CarbonylContact C-O 3.58Å; G338-F352 VanDerWaalsContact CA-O 3.28Å; G338-F352 WeakPolarHBondContact CA-O 3.48Å; G338-N353 PolarHBondContact N-OD1 2.83Å; G338-R360 WeakPolarHBondContact O-CD 3.47Å
339	V	97.8	Very high	93.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.3	172.7	170.7	0	0	0	0	108	F330 I341 H351 F352 R360 F363 L364	F330-V339 WeakPolarHBondContact CE1-O 3.32Å; V339-I341 HydrophobicContact CG1-CD1 4.3Å; V339-I341 HydrophobicContact CG1-CG1 3.98Å; V339-H351 CarbonylContact O-C 3.55Å; V339-H351 WeakPolarHBondContact O-CA 3.32Å; V339-F352 HydrophobicContact CB-CB 4.22Å; V339-F352 PolarHBondContact N-O 2.85Å; V339-F352 PolarHBondContact O-N 3.27Å; V339-R360 HydrophobicContact CG2-CB 4.47Å; V339-R360 HydrophobicContact CG2-CG 3.75Å; V339-F363 HydrophobicContact CG1-CD1 4.3Å; V339-F363 HydrophobicContact CG1-CE1 4.15Å; V339-F363 HydrophobicContact CG2-CD1 4.5Å; V339-L364 HydrophobicContact CG1-CD2 3.94Å; V339-L364 HydrophobicContact CG2-CD2 4.48Å; V339-L364 HydrophobicContact CG2-CG 4.37Å
340	R	97.3	Very high	93.3	Very high	116 Å²	116	58.8 Å²	58.8	44%	0.438	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.5	178.4	-168.1	-171.5	-39.2	168.6	13.1	108.7	V327 G328 H329 F330 T349	V327-R340 WeakPolarHBondContact CA-O 3.27Å; G328-R340 PolarHBondContact N-O 3.34Å; G328-R340 PolarHBondContact O-N 3.32Å; H329-R340 PolarHBondContact O-NH2 2.91Å; H329-R340 VanDerWaalsContact O-NH2 3.09Å; F330-R340 HydrophobicContact CD1-CB 4.21Å; R340-T349 HydrophobicContact CG-CG2 3.43Å; R340-T349 VanDerWaalsContact CG-CG2 3.43Å
341	I	97.3	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112	177.3	-54.5	-179.8	0	0	0	107.6	L299 M325 E326 V327 V339 L343 T349 L350 F352 F363 L367	L299-I341 HydrophobicContact CD2-CD1 3.74Å; M325-I341 HydrophobicContact CE-CG2 3.72Å; M325-I341 HydrophobicContact CG-CG2 3.52Å; M325-I341 HydrophobicContact SD-CG2 3.38Å; M325-I341 WeakPolarHBondContact SD-CG2 3.42Å; E326-I341 CarbonylContact O-C 3.59Å; E326-I341 WeakPolarHBondContact O-CA 3.48Å; V327-I341 HydrophobicContact CG1-CG1 4.42Å; V339-I341 HydrophobicContact CG1-CD1 4.3Å; V339-I341 HydrophobicContact CG1-CG1 3.98Å; I341-L343 HydrophobicContact CG2-CD2 4.17Å; I341-T349 CarbonylContact O-C 3.58Å; I341-T349 WeakPolarHBondContact O-CA 3.41Å; I341-L350 HydrophobicContact CB-CB 4.39Å; I341-L350 PolarHBondContact N-O 3.35Å; I341-L350 PolarHBondContact O-N 3.08Å; I341-F352 HydrophobicContact CD1-CD2 4.19Å; I341-F352 HydrophobicContact CD1-CE2 4Å; I341-F363 HydrophobicContact CD1-CE1 4.29Å; I341-L367 HydrophobicContact CD1-CD2 3.76Å; I341-L367 HydrophobicContact CG1-CD2 4.26Å
342	R	96.3	Very high	93.4	Very high	89 Å²	89	55.9 Å²	55.9	34%	0.336	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.2	170.9	-170.3	177.9	70.3	77.2	-11.9	107.9	M325 E326	M325-R342 WeakPolarHBondContact CA-O 3.5Å; E326-R342 HydrophobicContact CB-CB 4.22Å; E326-R342 PolarHBondContact N-O 3.03Å; E326-R342 PolarHBondContact O-N 2.87Å; E326-R342 IonicContact OE1-CZ 2.98Å; E326-R342 IonicContact OE1-NH2 2.69Å; E326-R342 PolarHBondContact OE1-NH2 3.16Å; E326-R342 IonicContact OE2-CZ 3.73Å; E326-R342 IonicContact OE2-NE 2.9Å; E326-R342 PolarHBondContact OE2-NE 3.5Å; E326-R342 IonicContact OE2-NH2 2.68Å; E326-R342 PolarHBondContact OE2-NH2 2.94Å
343	L	94.8	Very high	93.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-74.5	144.5	-177	-57.5	-178.7	0	0	0	110.3	H320 M325 I341 E346 R348 L350	H320-L343 HydrophobicContact CB-CD2 4.07Å; H320-L343 VanDerWaalsContact CE1-CD1 3.4Å; H320-L343 WeakPolarHBondContact CE1-CD1 3.49Å; M325-L343 HydrophobicContact CE-CD2 3.71Å; I341-L343 HydrophobicContact CG2-CD2 4.17Å; L343-E346 HydrophobicContact CB-CB 4.25Å; L343-E346 WeakPolarHBondContact CD1-OE2 3.24Å; L343-E346 VanDerWaalsContact O-O 3.14Å; L343-R348 HydrophobicContact CD1-CB 4.15Å; L343-R348 HydrophobicContact CD1-CG 4.14Å; L343-R348 PolarHBondContact N-O 3.24Å; L343-L350 HydrophobicContact CD1-CD1 4.39Å; L343-L350 HydrophobicContact CD1-CG 4.35Å; L343-L350 HydrophobicContact CD2-CD1 3.99Å; L343-L350 HydrophobicContact CD2-CG 4.34Å; L343-L350 HydrophobicContact CG-CG 4.4Å
344	G	87.9	Confident	93.7	Very high	28 Å²	28	48.6 Å²	48.6	29%	0.289	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	134.4	177.5	0	0	0	0	0	111.5	G324 E346	G324-G344 VanDerWaalsContact C-CA 3.48Å; G324-G344 VanDerWaalsContact O-CA 3.25Å; G324-G344 WeakPolarHBondContact O-CA 3.31Å; G344-E346 PolarHBondContact O-N 2.78Å; G344-E346 VanDerWaalsContact O-N 3.15Å
345	G	82	Confident	93.9	Very high	92 Å²	92	49.8 Å²	49.8	95%	0.948	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-4.2	179	0	0	0	0	0	115.7
346	E	80	Confident	93.9	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	29%	0.285	S	S	.	.	S	Bend	trans	-119.9	146.9	178.1	-62	-175.7	-179.1	0	0	110.8	L343 G344 R348	L343-E346 HydrophobicContact CB-CB 4.25Å; L343-E346 WeakPolarHBondContact CD1-OE2 3.24Å; L343-E346 VanDerWaalsContact O-O 3.14Å; G344-E346 PolarHBondContact O-N 2.78Å; G344-E346 VanDerWaalsContact O-N 3.15Å; E346-R348 HydrophobicContact CB-CB 4.17Å; E346-R348 PolarHBondContact O-N 2.71Å; E346-R348 VanDerWaalsContact O-N 3.1Å
347	D	84	Confident	94	Very high	168 Å²	168	51.1 Å²	51.1	90%	0.898	29%	0.287	S	S	*	.	S	Bend	trans	-80.4	25.2	170	-163.2	27.2	0	0	0	112.3
348	R	93.5	Very high	94	Very high	103 Å²	103	50.5 Å²	50.5	39%	0.389	29%	0.286	S	S	.	.			trans	-100.2	123.9	-176.5	-173.5	174.5	176.7	-144.5	-7.3	110	E318 L343 E346 L350	E318-R348 IonicContact OE1-NH2 3.98Å; E318-R348 IonicContact OE2-CZ 3.84Å; E318-R348 IonicContact OE2-NH1 2.86Å; E318-R348 PolarHBondContact OE2-NH1 3.35Å; E318-R348 IonicContact OE2-NH2 3.67Å; E318-R348 PolarHBondContact OE2-NH2 2.79Å; L343-R348 HydrophobicContact CD1-CB 4.15Å; L343-R348 HydrophobicContact CD1-CG 4.14Å; L343-R348 PolarHBondContact N-O 3.24Å; E346-R348 HydrophobicContact CB-CB 4.17Å; E346-R348 PolarHBondContact O-N 2.71Å; E346-R348 VanDerWaalsContact O-N 3.1Å; R348-L350 HydrophobicContact CG-CD2 4.41Å
349	T	95.4	Very high	94	Very high	51 Å²	51	53 Å²	53	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	173.4	-58.7	0	0	0	0	110.2	R340 I341 H351	R340-T349 HydrophobicContact CG-CG2 3.43Å; R340-T349 VanDerWaalsContact CG-CG2 3.43Å; I341-T349 CarbonylContact O-C 3.58Å; I341-T349 WeakPolarHBondContact O-CA 3.41Å; T349-H351 VanDerWaalsContact CG2-CE1 3.5Å; T349-H351 WeakPolarHBondContact CG2-CE1 3.06Å
350	L	96.6	Very high	94	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.4	171.3	-53.3	179.6	0	0	0	109.6	L301 I341 L343 R348 F352	L301-L350 HydrophobicContact CD1-CD1 4.22Å; I341-L350 HydrophobicContact CB-CB 4.39Å; I341-L350 PolarHBondContact N-O 3.35Å; I341-L350 PolarHBondContact O-N 3.08Å; L343-L350 HydrophobicContact CD1-CD1 4.39Å; L343-L350 HydrophobicContact CD1-CG 4.35Å; L343-L350 HydrophobicContact CD2-CD1 3.99Å; L343-L350 HydrophobicContact CD2-CG 4.34Å; L343-L350 HydrophobicContact CG-CG 4.4Å; R348-L350 HydrophobicContact CG-CD2 4.41Å; L350-F352 HydrophobicContact CB-CD2 4.39Å; L350-F352 HydrophobicContact CB-CE2 3.54Å; L350-F352 HydrophobicContact CB-CZ 4.02Å; L350-F352 HydrophobicContact CD1-CE2 4.12Å; L350-F352 HydrophobicContact CD1-CZ 4.13Å; L350-F352 HydrophobicContact CG-CE2 4.47Å
351	H	97.3	Very high	94	Very high	41 Å²	41	54.6 Å²	54.6	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.7	173.5	-59.3	86.3	0	0	0	108.8	E275 V276 P279 F330 V339 T349	E275-H351 CarbonylContact C-O 3.59Å; V276-H351 HydrophobicContact CB-CB 3.95Å; V276-H351 HydrophobicContact CG1-CB 4.45Å; V276-H351 PolarHBondContact N-O 3.43Å; V276-H351 WeakPolarHBondContact O-CB 3.32Å; P279-H351 HydrophobicContact CG-CB 4.06Å; P279-H351 WeakPolarHBondContact CG-CD2 3.3Å; F330-H351 HydrophobicContact CE1-CB 4.03Å; F330-H351 AromaticContact CE1-CD2 3.78Å; F330-H351 HydrophobicContact CZ-CB 4.18Å; V339-H351 CarbonylContact O-C 3.55Å; V339-H351 WeakPolarHBondContact O-CA 3.32Å; T349-H351 VanDerWaalsContact CG2-CE1 3.5Å; T349-H351 WeakPolarHBondContact CG2-CE1 3.06Å
352	F	97.5	Very high	94	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	164	174.3	-59.9	-83.8	0	0	0	109.9	L273 T274 E275 R290 L301 G338 V339 I341 L350	L273-F352 HydrophobicContact CB-CB 4.13Å; L273-F352 HydrophobicContact CB-CD1 3.87Å; L273-F352 HydrophobicContact CB-CG 4.24Å; L273-F352 HydrophobicContact CD1-CB 4.17Å; L273-F352 HydrophobicContact CD1-CD1 4.23Å; L273-F352 HydrophobicContact CD1-CD2 4.47Å; L273-F352 HydrophobicContact CD1-CG 4.03Å; T274-F352 CarbonylContact O-C 3.53Å; T274-F352 VanDerWaalsContact O-CA 3.22Å; T274-F352 WeakPolarHBondContact O-CA 3.48Å; E275-F352 HydrophobicContact CB-CD1 3.85Å; E275-F352 HydrophobicContact CB-CE1 3.69Å; E275-F352 HydrophobicContact CG-CD1 4.3Å; E275-F352 HydrophobicContact CG-CE1 3.85Å; E275-F352 HydrophobicContact CG-CZ 4.48Å; R290-F352 HydrophobicContact CG-CE1 4.28Å; L301-F352 HydrophobicContact CD1-CE1 4.17Å; L301-F352 HydrophobicContact CD1-CZ 3.58Å; L301-F352 HydrophobicContact CD2-CZ 4.34Å; G338-F352 CarbonylContact C-O 3.58Å; G338-F352 VanDerWaalsContact CA-O 3.28Å; G338-F352 WeakPolarHBondContact CA-O 3.48Å; V339-F352 HydrophobicContact CB-CB 4.22Å; V339-F352 PolarHBondContact N-O 2.85Å; V339-F352 PolarHBondContact O-N 3.27Å; I341-F352 HydrophobicContact CD1-CD2 4.19Å; I341-F352 HydrophobicContact CD1-CE2 4Å; L350-F352 HydrophobicContact CB-CD2 4.39Å; L350-F352 HydrophobicContact CB-CE2 3.54Å; L350-F352 HydrophobicContact CB-CZ 4.02Å; L350-F352 HydrophobicContact CD1-CE2 4.12Å; L350-F352 HydrophobicContact CD1-CZ 4.13Å; L350-F352 HydrophobicContact CG-CE2 4.47Å
353	N	97	Very high	94.1	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.6	166.3	-176.6	74	0	0	0	108.9	T274 V276 Y335 Y337 G338	T274-N353 PolarHBondContact N-O 2.75Å; T274-N353 PolarHBondContact O-N 3.29Å; V276-N353 HydrophobicContact CG2-CB 3.96Å; Y335-N353 WeakPolarHBondContact CA-OD1 3.34Å; Y335-N353 HydrophobicContact CD1-CB 3.81Å; Y335-N353 HydrophobicContact CG-CB 4.44Å; Y337-N353 WeakPolarHBondContact CA-OD1 3.48Å; Y337-N353 PolarHBondContact N-OD1 3.47Å; Y337-N353 VanDerWaalsContact N-OD1 3.12Å; Y337-N353 PolarHBondContact O-OD1 2.56Å; G338-N353 PolarHBondContact N-OD1 2.83Å
354	A	97	Very high	94.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	31%	0.31	C	S	.	.			trans	-79	166.4	174.5	0	0	0	0	0	111.4	L273 Y337 D359 R360	L273-A354 HydrophobicContact CD2-CB 4.09Å; Y337-A354 PolarHBondContact O-N 2.9Å; A354-D359 HydrophobicContact CB-CB 4.21Å; A354-R360 HydrophobicContact CB-CB 3.86Å
355	S	94.8	Very high	94.7	Very high	83 Å²	83	58.7 Å²	58.7	58%	0.58	32%	0.319	S	S	*	.	S	Bend	trans	-68.2	-37.8	177.3	17.3	0	0	0	0	113.3	D359	S355-D359 WeakPolarHBondContact CB-OD2 3.3Å; S355-D359 PolarHBondContact OG-OD2 3.44Å
356	C	96.4	Very high	95.5	Very high	46 Å²	46	57.2 Å²	57.2	31%	0.311	29%	0.289	S	S	.	.	S	Bend	trans	-148.5	171.2	-179.5	70.3	0	0	0	0	111.5	Y337 E358 D359 R360	Y337-C356 VanDerWaalsContact CD2-CA 3.49Å; C356-E358 VanDerWaalsContact C-N 3.28Å; C356-E358 PolarHBondContact O-N 3.06Å; C356-D359 PolarHBondContact O-N 3.34Å; C356-D359 PolarHBondContact SG-N 3.45Å; C356-D359 VanDerWaalsContact SG-N 3.41Å; C356-D359 PolarHBondContact SG-OD2 3.18Å; C356-R360 PolarHBondContact O-N 2.76Å; C356-R360 VanDerWaalsContact O-N 3.14Å
357	A	97.2	Very high	96.3	Very high	45 Å²	45	52.7 Å²	52.7	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-37.6	178.5	0	0	0	0	0	112.6	Y337 R360 R361	Y337-A357 HydrophobicContact CD1-CB 3.94Å; Y337-A357 HydrophobicContact CE1-CB 3.75Å; A357-R360 PolarHBondContact O-N 3.11Å; A357-R361 WeakPolarHBondContact O-CB 3.12Å; A357-R361 PolarHBondContact O-N 2.71Å
358	E	97.3	Very high	97	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-43.2	-179.1	-179.1	63.6	-178.4	0	0	111.9	C356 R360 R361 R362	C356-E358 VanDerWaalsContact C-N 3.28Å; C356-E358 PolarHBondContact O-N 3.06Å; E358-R360 PolarHBondContact O-N 3.37Å; E358-R361 PolarHBondContact O-N 3.31Å; E358-R361 IonicContact OE1-CZ 3.69Å; E358-R361 IonicContact OE1-NH2 3.39Å; E358-R361 PolarHBondContact OE1-NH2 3.33Å; E358-R361 IonicContact OE2-CZ 3.5Å; E358-R361 VanDerWaalsContact OE2-CZ 3.32Å; E358-R361 IonicContact OE2-NE 2.73Å; E358-R361 PolarHBondContact OE2-NE 3.41Å; E358-R361 IonicContact OE2-NH2 2.97Å; E358-R361 PolarHBondContact OE2-NH2 2.74Å; E358-R362 WeakPolarHBondContact O-CG 3.34Å; E358-R362 PolarHBondContact O-N 3.13Å; E358-R362 IonicContact OE1-CZ 2.75Å; E358-R362 IonicContact OE1-NE 3.82Å; E358-R362 PolarHBondContact OE1-NE 2.97Å; E358-R362 IonicContact OE1-NH2 3.32Å; E358-R362 PolarHBondContact OE1-NH2 3.26Å
359	D	97	Very high	97.1	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-42.6	175.2	-70.6	-28.8	0	0	0	111.4	I271 A354 S355 C356 F363	I271-D359 HydrophobicContact CD1-CB 4Å; A354-D359 HydrophobicContact CB-CB 4.21Å; S355-D359 WeakPolarHBondContact CB-OD2 3.3Å; S355-D359 PolarHBondContact OG-OD2 3.44Å; C356-D359 PolarHBondContact O-N 3.34Å; C356-D359 PolarHBondContact SG-N 3.45Å; C356-D359 VanDerWaalsContact SG-N 3.41Å; C356-D359 PolarHBondContact SG-OD2 3.18Å; D359-F363 VanDerWaalsContact O-CB 3.29Å; D359-F363 WeakPolarHBondContact O-CB 3.49Å; D359-F363 PolarHBondContact O-N 3.24Å
360	R	97.8	Very high	97.3	Very high	48 Å²	48	43.3 Å²	43.3	18%	0.181	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-49.7	173.8	176	178.7	70.1	-171.7	-3	110.9	P336 G338 V339 A354 C356 A357 E358 L364	P336-R360 PolarHBondContact O-NH1 3.14Å; G338-R360 WeakPolarHBondContact O-CD 3.47Å; V339-R360 HydrophobicContact CG2-CB 4.47Å; V339-R360 HydrophobicContact CG2-CG 3.75Å; A354-R360 HydrophobicContact CB-CB 3.86Å; C356-R360 PolarHBondContact O-N 2.76Å; C356-R360 VanDerWaalsContact O-N 3.14Å; A357-R360 PolarHBondContact O-N 3.11Å; E358-R360 PolarHBondContact O-N 3.37Å; R360-L364 HydrophobicContact CG-CD1 3.8Å; R360-L364 HydrophobicContact CG-CG 4.46Å; R360-L364 WeakPolarHBondContact O-CB 3.26Å; R360-L364 WeakPolarHBondContact O-CG 3.39Å; R360-L364 PolarHBondContact O-N 3.4Å
361	R	97.8	Very high	97.3	Very high	102 Å²	102	44 Å²	44	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-52.9	-175.9	-173.9	-174.2	64.7	74.8	0.2	111.1	A357 E358 F363 L364 E365	A357-R361 WeakPolarHBondContact O-CB 3.12Å; A357-R361 PolarHBondContact O-N 2.71Å; E358-R361 PolarHBondContact O-N 3.31Å; E358-R361 IonicContact OE1-CZ 3.69Å; E358-R361 IonicContact OE1-NH2 3.39Å; E358-R361 PolarHBondContact OE1-NH2 3.33Å; E358-R361 IonicContact OE2-CZ 3.5Å; E358-R361 VanDerWaalsContact OE2-CZ 3.32Å; E358-R361 IonicContact OE2-NE 2.73Å; E358-R361 PolarHBondContact OE2-NE 3.41Å; E358-R361 IonicContact OE2-NH2 2.97Å; E358-R361 PolarHBondContact OE2-NH2 2.74Å; R361-F363 PolarHBondContact O-N 3.09Å; R361-L364 PolarHBondContact O-N 3.05Å; R361-E365 WeakPolarHBondContact CG-OE1 3.42Å; R361-E365 IonicContact CZ-OE1 3.26Å; R361-E365 IonicContact CZ-OE2 3.22Å; R361-E365 IonicContact NH1-OE1 2.74Å; R361-E365 PolarHBondContact NH1-OE1 3.42Å; R361-E365 IonicContact NH1-OE2 2.8Å; R361-E365 PolarHBondContact NH1-OE2 3.35Å; R361-E365 WeakPolarHBondContact O-CG 3.48Å; R361-E365 PolarHBondContact O-N 2.97Å
362	R	97.3	Very high	97.3	Very high	75 Å²	75	45.4 Å²	45.4	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-59.3	-44.3	179.2	-70.2	-177.7	-173.3	175.2	6	112.4	E358 E365 D366	E358-R362 WeakPolarHBondContact O-CG 3.34Å; E358-R362 PolarHBondContact O-N 3.13Å; E358-R362 IonicContact OE1-CZ 2.75Å; E358-R362 IonicContact OE1-NE 3.82Å; E358-R362 PolarHBondContact OE1-NE 2.97Å; E358-R362 IonicContact OE1-NH2 3.32Å; E358-R362 PolarHBondContact OE1-NH2 3.26Å; R362-E365 PolarHBondContact O-N 3.37Å; R362-D366 WeakPolarHBondContact O-CB 3.47Å; R362-D366 PolarHBondContact O-N 3.45Å
363	F	98	Very high	97.4	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-41	179.6	178.6	-112.7	0	0	0	112.5	I271 L273 L299 V339 I341 D359 R361 L367	I271-F363 HydrophobicContact CD1-CB 3.8Å; I271-F363 HydrophobicContact CD1-CG 4.24Å; I271-F363 HydrophobicContact CG2-CD2 3.5Å; I271-F363 VanDerWaalsContact CG2-CD2 3.5Å; I271-F363 HydrophobicContact CG2-CE2 3.74Å; I271-F363 HydrophobicContact CG2-CG 4.04Å; I271-F363 HydrophobicContact CG2-CZ 4.47Å; L273-F363 HydrophobicContact CD1-CD1 4.26Å; L273-F363 HydrophobicContact CD1-CE1 3.81Å; L273-F363 HydrophobicContact CD1-CZ 4.06Å; L299-F363 HydrophobicContact CD1-CE2 4.4Å; L299-F363 HydrophobicContact CD1-CZ 4.12Å; V339-F363 HydrophobicContact CG1-CD1 4.3Å; V339-F363 HydrophobicContact CG1-CE1 4.15Å; V339-F363 HydrophobicContact CG2-CD1 4.5Å; I341-F363 HydrophobicContact CD1-CE1 4.29Å; D359-F363 VanDerWaalsContact O-CB 3.29Å; D359-F363 WeakPolarHBondContact O-CB 3.49Å; D359-F363 PolarHBondContact O-N 3.24Å; R361-F363 PolarHBondContact O-N 3.09Å; F363-L367 HydrophobicContact CE1-CD2 4.01Å; F363-L367 HydrophobicContact CZ-CD2 3.99Å; F363-L367 WeakPolarHBondContact O-CB 2.94Å; F363-L367 PolarHBondContact O-N 3.13Å
364	L	97.9	Very high	97.4	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-41.9	175.7	-74.6	173.5	0	0	0	111.8	V327 H329 V339 R360 R361 L367 D368	V327-L364 HydrophobicContact CB-CD2 4.1Å; H329-L364 HydrophobicContact CB-CD1 3.96Å; V339-L364 HydrophobicContact CG1-CD2 3.94Å; V339-L364 HydrophobicContact CG2-CD2 4.48Å; V339-L364 HydrophobicContact CG2-CG 4.37Å; R360-L364 HydrophobicContact CG-CD1 3.8Å; R360-L364 HydrophobicContact CG-CG 4.46Å; R360-L364 WeakPolarHBondContact O-CB 3.26Å; R360-L364 WeakPolarHBondContact O-CG 3.39Å; R360-L364 PolarHBondContact O-N 3.4Å; R361-L364 PolarHBondContact O-N 3.05Å; L364-L367 PolarHBondContact O-N 3.21Å; L364-D368 VanDerWaalsContact O-CB 3.22Å; L364-D368 WeakPolarHBondContact O-CB 3.38Å; L364-D368 PolarHBondContact O-N 3.36Å
365	E	97.1	Very high	97.4	Very high	102 Å²	102	46.6 Å²	46.6	48%	0.477	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-47.1	176.1	-74.3	170.2	-174	0	0	111.9	R361 R362 E369	R361-E365 WeakPolarHBondContact CG-OE1 3.42Å; R361-E365 IonicContact CZ-OE1 3.26Å; R361-E365 IonicContact CZ-OE2 3.22Å; R361-E365 IonicContact NH1-OE1 2.74Å; R361-E365 PolarHBondContact NH1-OE1 3.42Å; R361-E365 IonicContact NH1-OE2 2.8Å; R361-E365 PolarHBondContact NH1-OE2 3.35Å; R361-E365 WeakPolarHBondContact O-CG 3.48Å; R361-E365 PolarHBondContact O-N 2.97Å; R362-E365 PolarHBondContact O-N 3.37Å; E365-E369 WeakPolarHBondContact O-CB 3.36Å; E365-E369 PolarHBondContact O-N 3.17Å; E365-E369 VanDerWaalsContact O-N 3.11Å
366	D	98	Very high	97.5	Very high	61 Å²	61	45.5 Å²	45.5	33%	0.326	24%	0.235	S	C	.	.	H	α-helix	trans	-64.2	-41.5	177.6	-79.2	-20.5	0	0	0	111.9	I268 C269 L294 R362 A370	I268-D366 HydrophobicContact CG2-CB 4.04Å; C269-D366 WeakPolarHBondContact CB-OD2 3.49Å; C269-D366 PolarHBondContact SG-OD2 3.24Å; L294-D366 HydrophobicContact CD2-CB 3.92Å; R362-D366 WeakPolarHBondContact O-CB 3.47Å; R362-D366 PolarHBondContact O-N 3.45Å; D366-A370 VanDerWaalsContact O-CB 3.26Å; D366-A370 WeakPolarHBondContact O-CB 3.44Å; D366-A370 PolarHBondContact O-N 3.48Å
367	L	98.1	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71	-42.6	-178.6	-178.7	58.8	0	0	0	111.9	L294 L322 M325 V327 I341 F363 L364 A370 I371	L294-L367 HydrophobicContact CD1-CD1 3.56Å; L294-L367 HydrophobicContact CD2-CB 4.09Å; L294-L367 HydrophobicContact CD2-CD1 4.29Å; L322-L367 HydrophobicContact CD2-CD1 3.98Å; M325-L367 HydrophobicContact SD-CD1 4.12Å; M325-L367 HydrophobicContact SD-CD2 4.43Å; V327-L367 HydrophobicContact CG1-CD2 3.42Å; V327-L367 VanDerWaalsContact CG1-CD2 3.42Å; V327-L367 HydrophobicContact CG1-CG 3.75Å; I341-L367 HydrophobicContact CD1-CD2 3.76Å; I341-L367 HydrophobicContact CG1-CD2 4.26Å; F363-L367 HydrophobicContact CE1-CD2 4.01Å; F363-L367 HydrophobicContact CZ-CD2 3.99Å; F363-L367 WeakPolarHBondContact O-CB 2.94Å; F363-L367 PolarHBondContact O-N 3.13Å; L364-L367 PolarHBondContact O-N 3.21Å; L367-A370 WeakPolarHBondContact O-CB 3.37Å; L367-A370 PolarHBondContact O-N 2.85Å; L367-I371 HydrophobicContact CD1-CD1 4.18Å; L367-I371 HydrophobicContact CD1-CG1 4.36Å; L367-I371 HydrophobicContact CG-CD1 3.99Å; L367-I371 WeakPolarHBondContact O-CD1 3.34Å; L367-I371 VanDerWaalsContact O-CG1 3.24Å; L367-I371 WeakPolarHBondContact O-CG1 3.46Å; L367-I371 PolarHBondContact O-N 3.43Å
368	D	97.2	Very high	97.4	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-47.7	176.2	-169.3	62.9	0	0	0	111	V327 L364 A370 I371 L372	V327-D368 HydrophobicContact CG2-CB 4.16Å; L364-D368 VanDerWaalsContact O-CB 3.22Å; L364-D368 WeakPolarHBondContact O-CB 3.38Å; L364-D368 PolarHBondContact O-N 3.36Å; D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.39Å; D368-I371 PolarHBondContact O-N 2.91Å; D368-L372 WeakPolarHBondContact O-CG 3.38Å; D368-L372 PolarHBondContact O-N 3.2Å
369	E	97.4	Very high	97.4	Very high	46 Å²	46	45 Å²	45	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-32.7	177.2	-177.4	58.2	-158.1	0	0	112.5	R49 R52 E365 E373	R49-E369 WeakPolarHBondContact CB-OE1 3.22Å; R49-E369 IonicContact CZ-OE1 2.77Å; R49-E369 IonicContact CZ-OE2 3.21Å; R49-E369 IonicContact NE-OE1 3.79Å; R49-E369 PolarHBondContact NE-OE1 2.73Å; R49-E369 IonicContact NE-OE2 3.62Å; R49-E369 PolarHBondContact NE-OE2 3.04Å; R49-E369 IonicContact NH2-OE1 3.01Å; R49-E369 IonicContact NH2-OE2 3.93Å; R49-E369 PolarHBondContact NH2-OE2 3.07Å; R52-E369 IonicContact CZ-OE1 3.78Å; R52-E369 IonicContact NH1-OE1 2.67Å; R52-E369 IonicContact NH2-OE1 3.56Å; R52-E369 PolarHBondContact NH2-OE1 2.92Å; E365-E369 WeakPolarHBondContact O-CB 3.36Å; E365-E369 PolarHBondContact O-N 3.17Å; E365-E369 VanDerWaalsContact O-N 3.11Å; E369-E373 WeakPolarHBondContact O-CB 3.5Å; E369-E373 PolarHBondContact O-N 3.44Å
370	A	98.3	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-40.2	174.1	0	0	0	0	0	112.4	I268 L294 L322 D366 L367 D368 E373 N374	I268-A370 HydrophobicContact CD1-CB 3.54Å; L294-A370 HydrophobicContact CD1-CB 4.35Å; L294-A370 HydrophobicContact CD2-CB 4.32Å; L322-A370 HydrophobicContact CD1-CB 3.71Å; D366-A370 VanDerWaalsContact O-CB 3.26Å; D366-A370 WeakPolarHBondContact O-CB 3.44Å; D366-A370 PolarHBondContact O-N 3.48Å; L367-A370 WeakPolarHBondContact O-CB 3.37Å; L367-A370 PolarHBondContact O-N 2.85Å; D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.39Å; A370-E373 PolarHBondContact O-N 3.41Å; A370-N374 VanDerWaalsContact O-CB 3.28Å; A370-N374 WeakPolarHBondContact O-CB 3.24Å; A370-N374 PolarHBondContact O-N 3.17Å
371	I	97.9	Very high	97.1	Very high	22 Å²	22	42.8 Å²	42.8	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-45.3	175	-69.3	161.8	0	0	0	109.9	L322 M325 V327 L367 D368 N374 G375	L322-I371 HydrophobicContact CB-CG1 4.18Å; M325-I371 HydrophobicContact CB-CD1 3.94Å; M325-I371 HydrophobicContact CB-CG1 4.22Å; M325-I371 HydrophobicContact CG-CD1 3.91Å; M325-I371 HydrophobicContact SD-CD1 4.07Å; V327-I371 HydrophobicContact CG1-CD1 3.63Å; V327-I371 HydrophobicContact CG2-CD1 4.4Å; L367-I371 HydrophobicContact CD1-CD1 4.18Å; L367-I371 HydrophobicContact CD1-CG1 4.36Å; L367-I371 HydrophobicContact CG-CD1 3.99Å; L367-I371 WeakPolarHBondContact O-CD1 3.34Å; L367-I371 VanDerWaalsContact O-CG1 3.24Å; L367-I371 WeakPolarHBondContact O-CG1 3.46Å; L367-I371 PolarHBondContact O-N 3.43Å; D368-I371 PolarHBondContact O-N 2.91Å; I371-N374 PolarHBondContact O-N 3.48Å; I371-G375 PolarHBondContact O-N 3.4Å
372	L	97.4	Very high	97	Very high	70 Å²	70	40.7 Å²	40.7	37%	0.366	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-44	177.1	-66.2	172.7	0	0	0	112.2	R49 D368 G375 E376	R49-L372 VanDerWaalsContact NH2-CD1 3.26Å; D368-L372 WeakPolarHBondContact O-CG 3.38Å; D368-L372 PolarHBondContact O-N 3.2Å; L372-G375 PolarHBondContact O-N 3.36Å; L372-E376 PolarHBondContact O-N 3.04Å
373	E	98	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174.5	179.2	-179.7	148.5	0	0	111.9	R49 R52 V53 N56 R266 E369 A370 M377	R49-E373 HydrophobicContact CG-CB 4.04Å; R52-E373 HydrophobicContact CB-CG 4.5Å; R52-E373 IonicContact CZ-OE2 3.74Å; R52-E373 VanDerWaalsContact CZ-OE2 3.3Å; R52-E373 IonicContact NE-OE2 2.77Å; R52-E373 PolarHBondContact NE-OE2 3.01Å; R52-E373 IonicContact NH2-OE2 3.83Å; R52-E373 PolarHBondContact NH2-OE2 3.41Å; V53-E373 HydrophobicContact CG2-CG 4.11Å; N56-E373 PolarHBondContact ND2-OE1 2.99Å; R266-E373 IonicContact CZ-OE1 2.8Å; R266-E373 IonicContact CZ-OE2 3.88Å; R266-E373 IonicContact NE-OE1 3.23Å; R266-E373 PolarHBondContact NE-OE1 3.08Å; R266-E373 IonicContact NH2-OE1 2.8Å; R266-E373 PolarHBondContact NH2-OE1 3.3Å; R266-E373 IonicContact NH2-OE2 3.66Å; R266-E373 PolarHBondContact NH2-OE2 3.4Å; E369-E373 WeakPolarHBondContact O-CB 3.5Å; E369-E373 PolarHBondContact O-N 3.44Å; A370-E373 PolarHBondContact O-N 3.41Å; E373-M377 WeakPolarHBondContact O-CB 3.48Å; E373-M377 PolarHBondContact O-N 3.2Å
374	N	97.8	Very high	96.5	Very high	16 Å²	16	42.4 Å²	42.4	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-41.1	179.1	-173.4	76.1	0	0	0	111.5	L322 G323 A370 I371 M377 E378	L322-N374 HydrophobicContact CB-CB 4.09Å; L322-N374 HydrophobicContact CD1-CB 4.46Å; G323-N374 PolarHBondContact N-ND2 3.33Å; A370-N374 VanDerWaalsContact O-CB 3.28Å; A370-N374 WeakPolarHBondContact O-CB 3.24Å; A370-N374 PolarHBondContact O-N 3.17Å; I371-N374 PolarHBondContact O-N 3.48Å; N374-M377 WeakPolarHBondContact O-CB 3.44Å; N374-M377 PolarHBondContact O-N 3.09Å; N374-E378 VanDerWaalsContact ND2-CD 3.29Å; N374-E378 PolarHBondContact ND2-OE1 2.98Å; N374-E378 WeakPolarHBondContact O-CG 3.39Å; N374-E378 PolarHBondContact O-N 3.4Å
375	G	97	Very high	96.3	Very high	36 Å²	36	49 Å²	49	37%	0.371	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-44.2	176.6	0	0	0	0	0	112.9	I371 L372 M377 E378 A379	I371-G375 PolarHBondContact O-N 3.4Å; L372-G375 PolarHBondContact O-N 3.36Å; G375-M377 VanDerWaalsContact C-N 3.3Å; G375-M377 PolarHBondContact O-N 2.98Å; G375-E378 PolarHBondContact O-N 2.95Å; G375-A379 WeakPolarHBondContact O-CB 3.47Å; G375-A379 PolarHBondContact O-N 3.46Å
376	E	97	Very high	96.1	Very high	60 Å²	60	49 Å²	49	28%	0.28	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-37.7	173.4	-75.7	-175.6	-156.6	0	0	111.6	R49 V53 L372 L380	R49-E376 VanDerWaalsContact CD-CD 3.47Å; R49-E376 WeakPolarHBondContact CD-OE1 3.39Å; R49-E376 IonicContact CZ-OE1 3.44Å; R49-E376 IonicContact NH1-OE1 3.79Å; R49-E376 PolarHBondContact NH1-OE1 3.25Å; V53-E376 HydrophobicContact CG2-CB 3.92Å; L372-E376 PolarHBondContact O-N 3.04Å; E376-L380 WeakPolarHBondContact O-CB 3.31Å; E376-L380 PolarHBondContact O-N 3.37Å
377	M	96.6	Very high	95.7	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-46	175.9	-174.2	66.9	-163.7	0	0	112.4	V53 N56 L57 K60 E373 N374 G375 L380 E381	V53-M377 HydrophobicContact CG1-CB 4.37Å; V53-M377 HydrophobicContact CG1-SD 3.92Å; N56-M377 HydrophobicContact CB-CE 4.48Å; N56-M377 HydrophobicContact CB-SD 3.97Å; L57-M377 HydrophobicContact CB-CE 3.88Å; L57-M377 HydrophobicContact CB-SD 4.31Å; L57-M377 HydrophobicContact CD1-CE 3.92Å; K60-M377 HydrophobicContact CD-CE 3.89Å; E373-M377 WeakPolarHBondContact O-CB 3.48Å; E373-M377 PolarHBondContact O-N 3.2Å; N374-M377 WeakPolarHBondContact O-CB 3.44Å; N374-M377 PolarHBondContact O-N 3.09Å; G375-M377 VanDerWaalsContact C-N 3.3Å; G375-M377 PolarHBondContact O-N 2.98Å; M377-L380 PolarHBondContact O-N 3.5Å; M377-E381 HydrophobicContact CE-CG 3.81Å; M377-E381 VanDerWaalsContact CE-OE1 3.28Å; M377-E381 WeakPolarHBondContact CE-OE1 3.47Å; M377-E381 WeakPolarHBondContact O-CG 3.5Å; M377-E381 PolarHBondContact O-N 2.87Å
378	E	95.5	Very high	95.3	Very high	86 Å²	86	53 Å²	53	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-42.6	177.7	-75.8	176.8	-179.2	0	0	111.6	N374 G375 L380 E381 S382	N374-E378 VanDerWaalsContact ND2-CD 3.29Å; N374-E378 PolarHBondContact ND2-OE1 2.98Å; N374-E378 WeakPolarHBondContact O-CG 3.39Å; N374-E378 PolarHBondContact O-N 3.4Å; G375-E378 PolarHBondContact O-N 2.95Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.84Å; E378-E381 PolarHBondContact O-N 3.3Å; E378-S382 WeakPolarHBondContact O-CB 3.42Å; E378-S382 PolarHBondContact O-N 3.49Å
379	A	96.2	Very high	95	Very high	51 Å²	51	53.5 Å²	53.5	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-43.3	174.8	0	0	0	0	0	111.6	G375 S382 N383	G375-A379 WeakPolarHBondContact O-CB 3.47Å; G375-A379 PolarHBondContact O-N 3.46Å; A379-S382 PolarHBondContact O-N 3.34Å; A379-N383 VanDerWaalsContact O-CG 3.24Å; A379-N383 PolarHBondContact O-N 3.39Å; A379-N383 PolarHBondContact O-ND2 3.47Å
380	L	94.8	Very high	94.6	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-45.5	177.7	-173.4	62.7	0	0	0	112.2	V53 L57 F68 W72 E376 M377 E378 S382 N383 L384	V53-L380 HydrophobicContact CG1-CD2 3.84Å; L57-L380 HydrophobicContact CD2-CD2 3.88Å; F68-L380 HydrophobicContact CD1-CD1 4.4Å; F68-L380 HydrophobicContact CE1-CD1 3.64Å; F68-L380 HydrophobicContact CE2-CD1 4.26Å; F68-L380 HydrophobicContact CZ-CD1 3.56Å; F68-L380 HydrophobicContact CZ-CG 4.41Å; W72-L380 HydrophobicContact CH2-CD2 3.99Å; E376-L380 WeakPolarHBondContact O-CB 3.31Å; E376-L380 PolarHBondContact O-N 3.37Å; M377-L380 PolarHBondContact O-N 3.5Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.84Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-N383 PolarHBondContact O-N 3.4Å; L380-L384 HydrophobicContact CG-CD1 4.39Å; L380-L384 WeakPolarHBondContact O-CG 3.3Å; L380-L384 PolarHBondContact O-N 2.87Å
381	E	94.5	Very high	94.2	Very high	33 Å²	33	60.6 Å²	60.6	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-39.1	176.9	-73	-171.7	153.7	0	0	112.4	K60 M377 E378 L384 R385	K60-E381 WeakPolarHBondContact CD-OE1 3.48Å; K60-E381 VanDerWaalsContact CE-OE1 3.3Å; K60-E381 WeakPolarHBondContact CE-OE1 3.17Å; K60-E381 VanDerWaalsContact NZ-CD 3.3Å; K60-E381 IonicContact NZ-OE1 2.97Å; K60-E381 PolarHBondContact NZ-OE1 3.38Å; K60-E381 IonicContact NZ-OE2 2.7Å; K60-E381 PolarHBondContact NZ-OE2 3Å; K60-E381 VanDerWaalsContact NZ-OE2 3.15Å; M377-E381 HydrophobicContact CE-CG 3.81Å; M377-E381 VanDerWaalsContact CE-OE1 3.28Å; M377-E381 WeakPolarHBondContact CE-OE1 3.47Å; M377-E381 WeakPolarHBondContact O-CG 3.5Å; M377-E381 PolarHBondContact O-N 2.87Å; E378-E381 PolarHBondContact O-N 3.3Å; E381-L384 PolarHBondContact O-N 3.37Å; E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 3.29Å
382	S	94.1	Very high	93.8	Very high	59 Å²	59	64.8 Å²	64.8	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-49.8	174.8	-171.3	0	0	0	0	110.9	E378 A379 L380 L384 R385 L386	E378-S382 WeakPolarHBondContact O-CB 3.42Å; E378-S382 PolarHBondContact O-N 3.49Å; A379-S382 PolarHBondContact O-N 3.34Å; L380-S382 VanDerWaalsContact C-N 3.34Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-L384 PolarHBondContact O-N 2.98Å; S382-R385 PolarHBondContact O-N 3.09Å; S382-R385 VanDerWaalsContact O-N 3.15Å; S382-L386 WeakPolarHBondContact O-CG 2.96Å; S382-L386 PolarHBondContact O-N 2.9Å
383	N	93.8	Very high	93.2	Very high	93 Å²	93	66.6 Å²	66.6	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-42.2	177.6	-68.7	-20.6	0	0	0	112.1	A379 L380 R385 L386 L387	A379-N383 VanDerWaalsContact O-CG 3.24Å; A379-N383 PolarHBondContact O-N 3.39Å; A379-N383 PolarHBondContact O-ND2 3.47Å; L380-N383 PolarHBondContact O-N 3.4Å; N383-R385 PolarHBondContact O-N 3.03Å; N383-L386 PolarHBondContact O-N 2.75Å; N383-L387 WeakPolarHBondContact O-CG 2.94Å; N383-L387 PolarHBondContact O-N 3.49Å
384	L	92.3	Very high	92.5	Very high	22 Å²	22	69.9 Å²	69.9	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-38.2	176.9	-73.4	171.8	0	0	0	112.9	L57 F68 L380 E381 S382 L387 D388	L57-L384 HydrophobicContact CD1-CD1 4.14Å; L57-L384 HydrophobicContact CD2-CD1 3.98Å; F68-L384 HydrophobicContact CE2-CD1 4.08Å; F68-L384 HydrophobicContact CE2-CD2 3.99Å; F68-L384 HydrophobicContact CE2-CG 4.43Å; F68-L384 HydrophobicContact CZ-CD2 4.26Å; L380-L384 HydrophobicContact CG-CD1 4.39Å; L380-L384 WeakPolarHBondContact O-CG 3.3Å; L380-L384 PolarHBondContact O-N 2.87Å; E381-L384 PolarHBondContact O-N 3.37Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-L384 PolarHBondContact O-N 2.98Å; L384-L387 PolarHBondContact O-N 2.88Å; L384-D388 VanDerWaalsContact O-CG 3.24Å; L384-D388 PolarHBondContact O-N 3.3Å
385	R	92.6	Very high	91.7	Very high	165 Å²	165	77.6 Å²	77.6	62%	0.623	40%	0.395	S	S	*	.	H	α-helix	trans	-64.7	-41.6	175	-72.6	175.1	-169.6	166.9	7.9	111.5	E381 S382 N383 D388 E389	E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 3.29Å; S382-R385 PolarHBondContact O-N 3.09Å; S382-R385 VanDerWaalsContact O-N 3.15Å; N383-R385 PolarHBondContact O-N 3.03Å; R385-D388 PolarHBondContact O-N 2.97Å; R385-E389 WeakPolarHBondContact O-CG 3.32Å; R385-E389 PolarHBondContact O-N 2.75Å
386	L	92.9	Very high	90.6	Very high	101 Å²	101	82 Å²	82	53%	0.529	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-46.1	176.7	-67.5	174.3	0	0	0	111.5	S382 N383 D388 E389 E390	S382-L386 WeakPolarHBondContact O-CG 2.96Å; S382-L386 PolarHBondContact O-N 2.9Å; N383-L386 PolarHBondContact O-N 2.75Å; L386-D388 VanDerWaalsContact C-N 3.32Å; L386-D388 PolarHBondContact O-N 3.38Å; L386-E389 PolarHBondContact O-N 3Å; L386-E390 WeakPolarHBondContact O-CG 3.48Å; L386-E390 PolarHBondContact O-N 3.49Å
387	L	90	Very high	89.4	Confident	93 Å²	93	86.2 Å²	86.2	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-40.6	175.7	-69.2	171.2	0	0	0	112.3	N383 L384 E389 E390 V391	N383-L387 WeakPolarHBondContact O-CG 2.94Å; N383-L387 PolarHBondContact O-N 3.49Å; L384-L387 PolarHBondContact O-N 2.88Å; L387-E389 VanDerWaalsContact C-N 3.34Å; L387-E389 PolarHBondContact O-N 2.75Å; L387-E390 PolarHBondContact O-N 3.07Å; L387-V391 WeakPolarHBondContact O-CG2 3.26Å; L387-V391 PolarHBondContact O-N 2.84Å
388	D	89.7	Confident	87.9	Confident	53 Å²	53	88.9 Å²	88.9	28%	0.283	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-40.3	176.7	-73.7	-28.8	0	0	0	112.2	R64 L384 R385 L386 K392	R64-D388 IonicContact CZ-OD1 2.8Å; R64-D388 IonicContact CZ-OD2 2.78Å; R64-D388 IonicContact NH1-OD1 3.23Å; R64-D388 IonicContact NH1-OD2 2.89Å; R64-D388 PolarHBondContact NH1-OD2 3.33Å; R64-D388 IonicContact NH2-OD1 3.26Å; R64-D388 PolarHBondContact NH2-OD1 3.1Å; R64-D388 IonicContact NH2-OD2 2.72Å; R64-D388 PolarHBondContact NH2-OD2 3.04Å; L384-D388 VanDerWaalsContact O-CG 3.24Å; L384-D388 PolarHBondContact O-N 3.3Å; R385-D388 PolarHBondContact O-N 2.97Å; L386-D388 VanDerWaalsContact C-N 3.32Å; L386-D388 PolarHBondContact O-N 3.38Å; D388-K392 VanDerWaalsContact O-CG 3.3Å; D388-K392 WeakPolarHBondContact O-CG 3.4Å; D388-K392 PolarHBondContact O-N 3.07Å
389	E	91.3	Very high	86.2	Confident	89 Å²	89	91.3 Å²	91.3	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-69.1	-39.6	177.1	-69	-53.2	131.5	0	0	112.1	R385 L386 L387 V391 K392 Q393	R385-E389 WeakPolarHBondContact O-CG 3.32Å; R385-E389 PolarHBondContact O-N 2.75Å; L386-E389 PolarHBondContact O-N 3Å; L387-E389 VanDerWaalsContact C-N 3.34Å; L387-E389 PolarHBondContact O-N 2.75Å; E389-V391 PolarHBondContact O-N 3.32Å; E389-K392 PolarHBondContact O-N 3.06Å; E389-K392 IonicContact OE1-NZ 2.65Å; E389-K392 PolarHBondContact OE1-NZ 3.44Å; E389-Q393 WeakPolarHBondContact O-CG 3.31Å; E389-Q393 PolarHBondContact O-N 2.93Å
390	E	89.9	Confident	84.3	Confident	121 Å²	121	92.3 Å²	92.3	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-60.2	-44	173.7	-73.1	177.1	175.2	0	0	111.9	L386 L387 K392 Q393 S394	L386-E390 WeakPolarHBondContact O-CG 3.48Å; L386-E390 PolarHBondContact O-N 3.49Å; L387-E390 PolarHBondContact O-N 3.07Å; E390-K392 PolarHBondContact O-N 3.17Å; E390-Q393 PolarHBondContact O-N 3.44Å; E390-S394 PolarHBondContact O-N 3.12Å
391	V	89.1	Confident	82.4	Confident	75 Å²	75	95 Å²	95	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-41.9	176.8	173.1	0	0	0	0	111	L387 E389 S394 R395	L387-V391 WeakPolarHBondContact O-CG2 3.26Å; L387-V391 PolarHBondContact O-N 2.84Å; E389-V391 PolarHBondContact O-N 3.32Å; V391-S394 PolarHBondContact O-N 2.98Å; V391-S394 PolarHBondContact O-OG 3.28Å; V391-R395 PolarHBondContact O-N 2.88Å; V391-R395 VanDerWaalsContact O-N 3.14Å
392	K	88.7	Confident	80.4	Confident	110 Å²	110	99 Å²	99	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-44.4	175.6	-73	173	-168.1	169.4	0	112.2	D388 E389 E390 S394 R395 Q396	D388-K392 VanDerWaalsContact O-CG 3.3Å; D388-K392 WeakPolarHBondContact O-CG 3.4Å; D388-K392 PolarHBondContact O-N 3.07Å; E389-K392 PolarHBondContact O-N 3.06Å; E389-K392 IonicContact OE1-NZ 2.65Å; E389-K392 PolarHBondContact OE1-NZ 3.44Å; E390-K392 PolarHBondContact O-N 3.17Å; K392-S394 VanDerWaalsContact C-N 3.34Å; K392-S394 PolarHBondContact O-N 2.89Å; K392-R395 PolarHBondContact O-N 3.48Å; K392-Q396 PolarHBondContact O-N 2.72Å
393	Q	85.9	Confident	78.4	Confident	108 Å²	108	104.2 Å²	104.2	51%	0.505	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-38.5	178.3	-71.4	178.1	19.5	0	0	112.1	E389 E390 R395 Q396 K397	E389-Q393 WeakPolarHBondContact O-CG 3.31Å; E389-Q393 PolarHBondContact O-N 2.93Å; E390-Q393 PolarHBondContact O-N 3.44Å; Q393-R395 VanDerWaalsContact C-N 3.34Å; Q393-R395 PolarHBondContact O-N 3.12Å; Q393-Q396 PolarHBondContact O-N 3.31Å; Q393-K397 PolarHBondContact O-N 3.4Å; Q393-K397 VanDerWaalsContact O-N 3.1Å
394	S	83.2	Confident	76.5	Confident	69 Å²	69	106.7 Å²	106.7	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.5	74.7	0	0	0	0	112.5	E390 V391 K392 S398	E390-S394 PolarHBondContact O-N 3.12Å; V391-S394 PolarHBondContact O-N 2.98Å; V391-S394 PolarHBondContact O-OG 3.28Å; K392-S394 VanDerWaalsContact C-N 3.34Å; K392-S394 PolarHBondContact O-N 2.89Å; S394-S398 PolarHBondContact O-N 3.36Å
395	R	80.3	Confident	74.5	Confident	177 Å²	177	115.8 Å²	115.8	67%	0.668	57%	0.565	S	S	*	*	H	α-helix	trans	-67.6	-41.8	176.2	-73.1	-178.6	174.2	-173.5	-1.4	112.3	V391 K392 Q393 S398 Q399	V391-R395 PolarHBondContact O-N 2.88Å; V391-R395 VanDerWaalsContact O-N 3.14Å; K392-R395 PolarHBondContact O-N 3.48Å; Q393-R395 VanDerWaalsContact C-N 3.34Å; Q393-R395 PolarHBondContact O-N 3.12Å; R395-S398 PolarHBondContact O-N 3.43Å; R395-S398 PolarHBondContact O-OG 2.65Å; R395-Q399 PolarHBondContact O-N 2.99Å; R395-Q399 VanDerWaalsContact O-N 3.12Å
396	Q	73.6	Confident	72.1	Confident	130 Å²	130	115.3 Å²	115.3	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-64.2	-41.1	177.5	-73.8	179.9	-19.6	0	0	112.5	K392 Q393 S398 Q399 S400	K392-Q396 PolarHBondContact O-N 2.72Å; Q393-Q396 PolarHBondContact O-N 3.31Å; Q396-S398 VanDerWaalsContact C-N 3.29Å; Q396-S398 PolarHBondContact O-N 2.77Å; Q396-Q399 PolarHBondContact O-N 3.5Å; Q396-S400 PolarHBondContact O-N 3.24Å
397	K	71.8	Confident	70.2	Confident	148 Å²	148	115.5 Å²	115.5	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-62.7	-35.3	174.7	-73.7	-180	-179.9	176.7	0	112.7	Q393 S400 S401	Q393-K397 PolarHBondContact O-N 3.4Å; Q393-K397 VanDerWaalsContact O-N 3.1Å; K397-S400 PolarHBondContact O-OG 3.45Å; K397-S401 PolarHBondContact O-N 2.9Å
398	S	64.8	Low	68.1	Low	63 Å²	63	114.4 Å²	114.4	44%	0.441	60%	0.595	S	S	.	*	H	α-helix	trans	-69.5	-34.3	176	70.6	0	0	0	0	112.8	S394 R395 Q396 S401	S394-S398 PolarHBondContact O-N 3.36Å; R395-S398 PolarHBondContact O-N 3.43Å; R395-S398 PolarHBondContact O-OG 2.65Å; Q396-S398 VanDerWaalsContact C-N 3.29Å; Q396-S398 PolarHBondContact O-N 2.77Å; S398-S401 PolarHBondContact O-OG 3.49Å
399	Q	60.2	Low	66.4	Low	136 Å²	136	118.3 Å²	118.3	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-72.6	-40.9	176.6	-77.8	-179.2	-35.5	0	0	112.4	R395 Q396 S401 N402	R395-Q399 PolarHBondContact O-N 2.99Å; R395-Q399 VanDerWaalsContact O-N 3.12Å; Q396-Q399 PolarHBondContact O-N 3.5Å; Q399-S401 PolarHBondContact O-N 3.43Å; Q399-N402 PolarHBondContact O-N 2.96Å; Q399-N402 VanDerWaalsContact O-N 3.15Å
400	S	57.1	Low	64.1	Low	73 Å²	73	119.9 Å²	119.9	51%	0.51	64%	0.639	S	S	.	*	H	α-helix	trans	-67.1	-24.7	176.5	71.6	0	0	0	0	113.2	Q396 K397 N402	Q396-S400 PolarHBondContact O-N 3.24Å; K397-S400 PolarHBondContact O-OG 3.45Å; S400-N402 VanDerWaalsContact C-N 3.3Å; S400-N402 PolarHBondContact O-N 3.31Å
401	S	53.7	Low	61.7	Low	76 Å²	76	121.3 Å²	121.3	53%	0.531	65%	0.65	S	S	.	*	H	α-helix	trans	-73.1	-19.1	175.2	72.3	0	0	0	0	114.2	K397 S398 Q399	K397-S401 PolarHBondContact O-N 2.9Å; S398-S401 PolarHBondContact O-OG 3.49Å; Q399-S401 PolarHBondContact O-N 3.43Å
402	N	54.4	Low	59.6	Low	118 Å²	118	125 Å²	125	63%	0.631	67%	0.667	S	S	*	*	H	α-helix	trans	-92.3	-18.5	-179.6	-83.2	-17.2	0	0	0	113.9	Q399 S400 N404	Q399-N402 PolarHBondContact O-N 2.96Å; Q399-N402 VanDerWaalsContact O-N 3.15Å; S400-N402 VanDerWaalsContact C-N 3.3Å; S400-N402 PolarHBondContact O-N 3.31Å; N402-N404 VanDerWaalsContact C-N 3.29Å; N402-N404 PolarHBondContact O-N 3.46Å
403	E	50.2	Low	57.3	Low	168 Å²	168	125.2 Å²	125.2	79%	0.785	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-9.1	179.3	-69.7	-174.9	135.6	0	0	113.8
404	N	53.9	Low	55.3	Low	146 Å²	146	127.4 Å²	127.4	78%	0.781	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	21.3	-179.9	-82	10.1	0	0	0	114.8	N402 D406	N402-N404 VanDerWaalsContact C-N 3.29Å; N402-N404 PolarHBondContact O-N 3.46Å; N404-D406 PolarHBondContact O-N 3.03Å
405	R	50.6	Low	53.2	Low	213 Å²	213	129.6 Å²	129.6	80%	0.804	71%	0.707	S	S	*	*			trans	-97.7	70.9	168.4	-72.2	-171.1	175.8	176.6	-0.4	110.7
406	D	43.5	Very low	51.2	Low	154 Å²	154	130.5 Å²	130.5	82%	0.824	72%	0.719	S	S	*	*			trans	-84.7	105.5	160.3	-176.1	13.9	0	0	0	108.1	N404	N404-D406 PolarHBondContact O-N 3.03Å
407	S	53	Low	49.5	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	73%	0.729	S	S	*	*			trans	-139.2	93.3	167.7	60.3	0	0	0	0	108.1
408	G	45.2	Very low	47.7	Very low	70 Å²	70	124.7 Å²	124.7	72%	0.722	74%	0.736	S	S	*	*			trans	-62.8	136.3	176.6	0	0	0	0	0	113.3
409	V	54.5	Low	46.3	Very low	136 Å²	136	127.2 Å²	127.2	82%	0.824	75%	0.754	S	S	*	*			trans	-139.2	123.3	155.6	-170.8	0	0	0	0	106.4
410	P	42.5	Very low	45.2	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	77%	0.768	S	S	*	*			trans	-84.7	162.4	178.5	0.4	18.5	0	0	0	113.2
411	D	40.3	Very low	44.2	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	79%	0.786	S	S	*	*			trans	-40.3	147.4	175.4	-82.4	-52.7	0	0	0	116.6
412	D	43.5	Very low	43.2	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	80%	0.803	S	S	*	*				-174.2	141.9	119.6	-98.5	-30.6	0	0	0	114.3
413	T	41.3	Very low	42	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	81%	0.807	S	S	*	*			trans	80.7	96.7	153	21.8	0	0	0	0	122.7
414	I	43.3	Very low	41.4	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	81%	0.81	S	S	*	*				42.1	117.6	112.8	-54.2	168.8	0	0	0	117.7
415	S	38.8	Very low	40.1	Very low	115 Å²	115	135 Å²	135	80%	0.804	81%	0.81	S	S	*	*				179.2	140	103.7	-142.5	0	0	0	0	113.6
416	Q	39.7	Very low	39.2	Very low	195 Å²	195	130.9 Å²	130.9	91%	0.911	81%	0.808	S	S	*	*			trans	-75.8	147.3	172.1	-67.3	175.5	-16.4	0	0	111.2
417	G	36.5	Very low	38.7	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	80%	0.804	S	S	*	*			trans	170.5	92.8	166.7	0	0	0	0	0	116.5
418	G	34.2	Very low	37.5	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	81%	0.812	S	S	*	*				65.2	105.4	127.9	0	0	0	0	0	121.8
419	S	35.3	Very low	36.8	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	81%	0.811	S	S	*	*				66.8	114.8	125.1	-154.3	0	0	0	0	120.1
420	Q	38.2	Very low	35.5	Very low	197 Å²	197	131.2 Å²	131.2	92%	0.921	81%	0.809	S	S	*	*				-164.6	124	120.7	-106.7	173.6	-1.7	0	0	112
421	K	35.2	Very low	34.9	Very low	207 Å²	207	133.5 Å²	133.5	90%	0.9	81%	0.814	S	S	*	*			trans	-73.5	140.9	172.9	-75.7	173	171.6	175.1	0	110.7
422	C	32.3	Very low	34.4	Very low	131 Å²	131	136.3 Å²	136.3	89%	0.885	81%	0.813	S	S	*	*			trans	-136.2	118.3	145.3	-160.1	0	0	0	0	108.1
423	G	30.7	Very low	33.7	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	81%	0.811	S	S	*	*			trans	-93.7	140.8	179.3	0	0	0	0	0	111.5
424	I	36.1	Very low	33.2	Very low	165 Å²	165	140.5 Å²	140.5	85%	0.846	82%	0.817	S	S	*	*			trans	-133.2	116.3	153	-61.8	-179.2	0	0	0	106.5
425	S	27.4	Very low	32.5	Very low	110 Å²	110	140 Å²	140	77%	0.769	81%	0.811	S	S	*	*			trans	-94.4	130.4	175.8	47.1	0	0	0	0	110.4
426	T	32	Very low	32.6	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	79%	0.788	S	S	*	*			trans	-144.3	103.9	150.2	42.6	0	0	0	0	110
427	S	32.2	Very low	32.4	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	78%	0.778	S	S	*	*			trans	19.7	111.2	145.2	56.1	0	0	0	0	118.2
428	S	27.8	Very low	32.5	Very low	129 Å²	129	130.8 Å²	130.8	90%	0.902	75%	0.751	S	S	*	*				65.9	97.6	80.5	-59.7	0	0	0	0	113.9
429	G	29.9	Very low	32.7	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	74%	0.737	S	S	*	*			trans	-153.8	84.3	165.1	0	0	0	0	0	108.9	L431	G429-L431 PolarHBondContact O-N 3.5Å
430	E	28.4	Very low	32.7	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.794	72%	0.718	S	S	*	*			trans	-57.4	105.3	175.8	-72	171.1	112	0	0	110.6	R432	E430-R432 VanDerWaalsContact C-N 3.34Å; E430-R432 PolarHBondContact O-N 3.47Å
431	L	28.8	Very low	32.5	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	70%	0.697	S	S	*	*			trans	-76.1	87	166.8	-82.5	160.1	0	0	0	108.8	G429 H433	G429-L431 PolarHBondContact O-N 3.5Å; L431-H433 PolarHBondContact O-N 3.03Å; L431-H433 VanDerWaalsContact O-N 3.17Å
432	R	30.5	Very low	32.6	Very low	210 Å²	210	117.1 Å²	117.1	79%	0.792	66%	0.66	S	S	*	*			trans	-65.2	112.7	166.4	-71.4	-172	178.9	-175	0.3	109.2	E430 F434	E430-R432 VanDerWaalsContact C-N 3.34Å; E430-R432 PolarHBondContact O-N 3.47Å; R432-F434 PolarHBondContact O-N 3.04Å
433	H	29.3	Very low	32.7	Very low	162 Å²	162	119.7 Å²	119.7	75%	0.75	65%	0.651	S	S	*	*			trans	-52.6	117.6	169.6	-84.5	-15.4	0	0	0	111.6	L431 E435	L431-H433 PolarHBondContact O-N 3.03Å; L431-H433 VanDerWaalsContact O-N 3.17Å; H433-E435 HydrophobicContact CB-CG 4.43Å; H433-E435 PolarHBondContact O-N 3.4Å
434	F	30.3	Very low	32.8	Very low	195 Å²	195	123 Å²	123	86%	0.855	65%	0.645	S	S	*	*			trans	-85.3	86	152.3	-100.2	-90.8	0	0	0	107.8	R432 S436	R432-F434 PolarHBondContact O-N 3.04Å; F434-S436 PolarHBondContact O-N 3.28Å; F434-S436 VanDerWaalsContact O-N 3.12Å
435	E	29.4	Very low	32.7	Very low	142 Å²	142	118.3 Å²	118.3	66%	0.664	63%	0.625	S	S	*	*			trans	-72.7	94.3	162.5	-80.3	-177.6	165.7	0	0	108.2	H433	H433-E435 HydrophobicContact CB-CG 4.43Å; H433-E435 PolarHBondContact O-N 3.4Å
436	S	39.5	Very low	32.9	Very low	46 Å²	46	115.5 Å²	115.5	32%	0.322	60%	0.603	S	S	.	*			trans	-73	133.5	167.6	162.9	0	0	0	0	109.2	F434 V438 R439	F434-S436 PolarHBondContact O-N 3.28Å; F434-S436 VanDerWaalsContact O-N 3.12Å; S436-V438 PolarHBondContact O-N 3.39Å; S436-V438 WeakPolarHBondContact OG-CB 3.41Å; S436-V438 PolarHBondContact OG-N 3.12Å; S436-R439 PolarHBondContact O-N 3.29Å
437	P	35.6	Very low	32.9	Very low	108 Å²	108	113.4 Å²	113.4	70%	0.701	59%	0.594	S	S	*	*	H	α-helix	trans	-52.5	-20.5	175.2	-24.7	32	0	0	0	113.9	S441	P437-S441 WeakPolarHBondContact O-CB 3.33Å; P437-S441 PolarHBondContact O-N 3.31Å; P437-S441 VanDerWaalsContact O-N 3.12Å
438	V	39.7	Very low	32.8	Very low	43 Å²	43	116 Å²	116	26%	0.261	60%	0.599	S	S	.	*	H	α-helix	trans	-70.6	-40.5	178.9	-178.9	0	0	0	0	111.6	V178 S436 S441 M442	V178-V438 HydrophobicContact CG1-CG1 4.2Å; S436-V438 PolarHBondContact O-N 3.39Å; S436-V438 WeakPolarHBondContact OG-CB 3.41Å; S436-V438 PolarHBondContact OG-N 3.12Å; V438-S441 PolarHBondContact O-N 3.42Å; V438-M442 HydrophobicContact CG1-CE 3.36Å; V438-M442 HydrophobicContact CG1-CG 4.47Å; V438-M442 HydrophobicContact CG1-SD 3.95Å; V438-M442 WeakPolarHBondContact O-CB 3.44Å; V438-M442 WeakPolarHBondContact O-CG 3.49Å; V438-M442 PolarHBondContact O-N 3.47Å
439	R	38.4	Very low	32.9	Very low	130 Å²	130	112.9 Å²	112.9	49%	0.491	58%	0.578	S	S	.	*	H	α-helix	trans	-67.7	-37.6	177.9	-84.6	-174.9	167.1	177.7	-2.9	111.9	S436 M442 R443	S436-R439 PolarHBondContact O-N 3.29Å; R439-M442 PolarHBondContact O-N 3.26Å; R439-R443 PolarHBondContact O-N 3.16Å; R439-R443 VanDerWaalsContact O-N 3.09Å
440	E	34.7	Very low	32.7	Very low	87 Å²	87	115.3 Å²	115.3	41%	0.407	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-44.8	176.1	-151.4	80.4	-155.9	0	0	111.6	M442 R443 K444	E440-M442 VanDerWaalsContact C-N 3.33Å; E440-R443 PolarHBondContact O-N 3.31Å; E440-K444 PolarHBondContact O-N 3.33Å; E440-K444 VanDerWaalsContact O-N 3.14Å
441	S	34.3	Very low	32.8	Very low	70 Å²	70	110 Å²	110	49%	0.49	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-35.3	177.2	-164	0	0	0	0	111.8	P437 V438 K444 T445	P437-S441 WeakPolarHBondContact O-CB 3.33Å; P437-S441 PolarHBondContact O-N 3.31Å; P437-S441 VanDerWaalsContact O-N 3.12Å; V438-S441 PolarHBondContact O-N 3.42Å; S441-K444 PolarHBondContact O-N 3.38Å; S441-T445 WeakPolarHBondContact O-CB 3.34Å; S441-T445 WeakPolarHBondContact O-CG2 3.5Å; S441-T445 PolarHBondContact O-N 3.47Å; S441-T445 PolarHBondContact O-OG1 2.86Å
442	M	37.9	Very low	32.9	Very low	23 Å²	23	107.8 Å²	107.8	11%	0.113	55%	0.552	C	S	.	*	H	α-helix	trans	-64.9	-37.5	173.5	-76.6	170.6	177.4	0	0	112.9	V178 F181 M185 V438 R439 E440 T445 T446	V178-M442 HydrophobicContact CG1-CE 4.45Å; F181-M442 HydrophobicContact CB-CE 3.55Å; F181-M442 HydrophobicContact CB-SD 4.32Å; F181-M442 HydrophobicContact CG-CE 4.28Å; F181-M442 HydrophobicContact CG-SD 4.45Å; M185-M442 HydrophobicContact CE-CE 3.48Å; M185-M442 VanDerWaalsContact CE-CE 3.48Å; M185-M442 HydrophobicContact CE-CG 4.33Å; M185-M442 HydrophobicContact SD-CE 4.49Å; M185-M442 HydrophobicContact SD-CG 4.27Å; V438-M442 HydrophobicContact CG1-CE 3.36Å; V438-M442 HydrophobicContact CG1-CG 4.47Å; V438-M442 HydrophobicContact CG1-SD 3.95Å; V438-M442 WeakPolarHBondContact O-CB 3.44Å; V438-M442 WeakPolarHBondContact O-CG 3.49Å; V438-M442 PolarHBondContact O-N 3.47Å; R439-M442 PolarHBondContact O-N 3.26Å; E440-M442 VanDerWaalsContact C-N 3.33Å; M442-T445 PolarHBondContact O-OG1 3.35Å; M442-T446 VanDerWaalsContact O-CG2 3.3Å; M442-T446 WeakPolarHBondContact O-CG2 3.45Å; M442-T446 PolarHBondContact O-N 2.85Å; M442-T446 PolarHBondContact O-OG1 3.06Å
443	R	33.9	Very low	33	Very low	186 Å²	186	98.9 Å²	98.9	70%	0.702	52%	0.522	S	S	*	.	H	α-helix	trans	-71.2	-33.7	174.9	-74.7	-178.7	177.9	-179.5	-0.2	112.9	R439 E440 T446 S447	R439-R443 PolarHBondContact O-N 3.16Å; R439-R443 VanDerWaalsContact O-N 3.09Å; E440-R443 PolarHBondContact O-N 3.31Å; R443-T446 PolarHBondContact O-OG1 2.63Å; R443-S447 WeakPolarHBondContact O-CB 3.46Å; R443-S447 PolarHBondContact O-N 2.88Å; R443-S447 PolarHBondContact O-OG 2.76Å
444	K	33.3	Very low	33.1	Very low	138 Å²	138	92.3 Å²	92.3	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-80.1	-34.3	-179.9	-75.5	176.2	179.8	169.5	0	113.7	E440 S441 T446 S447 N448	E440-K444 PolarHBondContact O-N 3.33Å; E440-K444 VanDerWaalsContact O-N 3.14Å; S441-K444 PolarHBondContact O-N 3.38Å; K444-T446 VanDerWaalsContact C-N 3.33Å; K444-S447 WeakPolarHBondContact CA-OG 3.43Å; K444-S447 PolarHBondContact O-OG 2.89Å; K444-N448 PolarHBondContact O-N 2.88Å
445	T	34.3	Very low	33.3	Very low	67 Å²	67	84 Å²	84	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-72.2	-26.7	175.8	44.7	0	0	0	0	113	S441 M442 S449	S441-T445 WeakPolarHBondContact O-CB 3.34Å; S441-T445 WeakPolarHBondContact O-CG2 3.5Å; S441-T445 PolarHBondContact O-N 3.47Å; S441-T445 PolarHBondContact O-OG1 2.86Å; M442-T445 PolarHBondContact O-OG1 3.35Å; T445-S449 PolarHBondContact O-OG 3.36Å; T445-S449 VanDerWaalsContact O-OG 3.13Å
446	T	31.6	Very low	33.2	Very low	52 Å²	52	78.5 Å²	78.5	32%	0.319	44%	0.441	S	S	.	.	H	α-helix	trans	-86.6	-15.9	177.2	51.6	0	0	0	0	114.5	A144 M442 R443 K444	A144-T446 HydrophobicContact CB-CG2 3.95Å; M442-T446 VanDerWaalsContact O-CG2 3.3Å; M442-T446 WeakPolarHBondContact O-CG2 3.45Å; M442-T446 PolarHBondContact O-N 2.85Å; M442-T446 PolarHBondContact O-OG1 3.06Å; R443-T446 PolarHBondContact O-OG1 2.63Å; K444-T446 VanDerWaalsContact C-N 3.33Å
447	S	31.8	Very low	32.6	Very low	83 Å²	83	80 Å²	80	58%	0.58	45%	0.448	S	S	*	.	H	α-helix	trans	-99.1	-24	-177.7	46.3	0	0	0	0	114.8	R443 K444	R443-S447 WeakPolarHBondContact O-CB 3.46Å; R443-S447 PolarHBondContact O-N 2.88Å; R443-S447 PolarHBondContact O-OG 2.76Å; K444-S447 WeakPolarHBondContact CA-OG 3.43Å; K444-S447 PolarHBondContact O-OG 2.89Å
448	N	30.2	Very low	32.2	Very low	157 Å²	157	76.1 Å²	76.1	84%	0.84	42%	0.423	S	S	*	.	S	Bend	trans	-119.5	12.8	-173.5	-93.3	0.7	0	0	0	116	K444	K444-N448 PolarHBondContact O-N 2.88Å
449	S	29.1	Very low	31.5	Very low	65 Å²	65	76.7 Å²	76.7	46%	0.455	43%	0.432	S	S	.	.	S	Bend	trans	-139	127.1	161.4	51.6	0	0	0	0	107.4	T445 V451	T445-S449 PolarHBondContact O-OG 3.36Å; T445-S449 VanDerWaalsContact O-OG 3.13Å; S449-V451 PolarHBondContact O-N 3.25Å
450	S	26.3	Very low	30.9	Very low	119 Å²	119	75 Å²	75	83%	0.832	44%	0.441	S	S	*	.			trans	-49.9	97.1	156.4	171.1	0	0	0	0	106.2	D452	S450-D452 PolarHBondContact O-N 3.19Å
451	V	30.2	Very low	30.4	Very low	57 Å²	57	76.3 Å²	76.3	35%	0.345	46%	0.459	S	S	.	.			trans	-68.3	80.3	164.2	-74.3	0	0	0	0	104.3	G142 S449 S453	G142-V451 WeakPolarHBondContact O-CG2 3.48Å; S449-V451 PolarHBondContact O-N 3.25Å; V451-S453 WeakPolarHBondContact O-CA 3.32Å; V451-S453 PolarHBondContact O-N 2.98Å
452	D	29.7	Very low	29.9	Very low	124 Å²	124	81 Å²	81	66%	0.663	48%	0.476	S	S	*	.			trans	-52.4	97.4	155.9	-168.9	15.5	0	0	0	103.2	S450 G454	S450-D452 PolarHBondContact O-N 3.19Å; D452-G454 VanDerWaalsContact C-N 3.34Å; D452-G454 PolarHBondContact O-N 3.34Å
453	S	34.1	Very low	29.2	Very low	23 Å²	23	85.8 Å²	85.8	16%	0.161	51%	0.511	C	S	.	.			trans	-59.6	100.9	-156.8	20.7	0	0	0	0	106.1	R139 V451 L455 A456	R139-S453 PolarHBondContact NH2-OG 3.25Å; V451-S453 WeakPolarHBondContact O-CA 3.32Å; V451-S453 PolarHBondContact O-N 2.98Å; S453-L455 CarbonylContact O-C 3.48Å; S453-L455 PolarHBondContact O-N 3.5Å; S453-A456 WeakPolarHBondContact O-CA 3.14Å; S453-A456 WeakPolarHBondContact O-CB 3.44Å; S453-A456 PolarHBondContact O-N 2.97Å
454	G	31	Very low	28.8	Very low	23 Å²	23	81.8 Å²	81.8	24%	0.237	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	4.7	-172.8	0	0	0	0	0	114.3	D452 A456	D452-G454 VanDerWaalsContact C-N 3.34Å; D452-G454 PolarHBondContact O-N 3.34Å; G454-A456 PolarHBondContact O-N 3.44Å
455	L	34.1	Very low	28.3	Very low	20 Å²	20	80.9 Å²	80.9	11%	0.105	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	1	157.3	-74.9	154	0	0	0	112.6	L140 F236 S453	L140-L455 HydrophobicContact CB-CD1 3.67Å; L140-L455 HydrophobicContact CD2-CD1 3.78Å; L140-L455 HydrophobicContact CG-CD1 4.4Å; F236-L455 HydrophobicContact CB-CD2 3.5Å; S453-L455 CarbonylContact O-C 3.48Å; S453-L455 PolarHBondContact O-N 3.5Å
456	A	28.4	Very low	27.8	Very low	27 Å²	27	88.4 Å²	88.4	22%	0.223	54%	0.54	C	S	.	.	S	Bend	trans	-95.5	99.1	174.9	0	0	0	0	0	110.7	S453 G454 S458	S453-A456 WeakPolarHBondContact O-CA 3.14Å; S453-A456 WeakPolarHBondContact O-CB 3.44Å; S453-A456 PolarHBondContact O-N 2.97Å; G454-A456 PolarHBondContact O-N 3.44Å; A456-S458 PolarHBondContact O-N 3.43Å
457	V	26.9	Very low	27.4	Very low	79 Å²	79	91.5 Å²	91.5	48%	0.479	56%	0.561	S	S	.	*			trans	59.4	55.8	148.9	-155	0	0	0	0	116.2	L247 A459	L247-V457 HydrophobicContact CD2-CB 4.29Å; L247-V457 HydrophobicContact CD2-CG1 3.14Å; L247-V457 HydrophobicContact CD2-CG2 4.12Å; L247-V457 HydrophobicContact CG-CG1 4.4Å; V457-A459 PolarHBondContact O-N 2.96Å
458	S	26	Very low	27	Very low	25 Å²	25	94.9 Å²	94.9	18%	0.175	57%	0.572	C	S	.	*			trans	-70.5	106.5	143.6	-54.2	0	0	0	0	107.7	E235 R237 A456	E235-S458 VanDerWaalsContact CD-CB 3.48Å; E235-S458 WeakPolarHBondContact OE1-CB 3.39Å; E235-S458 PolarHBondContact OE1-OG 3.11Å; E235-S458 WeakPolarHBondContact OE2-CB 3.36Å; E235-S458 PolarHBondContact OE2-OG 3.3Å; R237-S458 PolarHBondContact NE-O 3.13Å; R237-S458 PolarHBondContact NH1-O 3.32Å; R237-S458 VanDerWaalsContact NH1-O 3.14Å; R237-S458 PolarHBondContact NH2-O 3.16Å; A456-S458 PolarHBondContact O-N 3.43Å
459	A	25.9	Very low	26.7	Very low	55 Å²	55	92.2 Å²	92.2	46%	0.455	57%	0.571	S	S	.	*			trans	-115.5	71.6	160.6	0	0	0	0	0	107.5	V457	V457-A459 PolarHBondContact O-N 2.96Å
460	S	26.1	Very low	26.6	Very low	95 Å²	95	94.3 Å²	94.3	66%	0.664	58%	0.582	S	S	*	*			trans	-81.2	138	167.7	-64.7	0	0	0	0	109.3
461	S	23.7	Very low	26.6	Very low	114 Å²	114	97.1 Å²	97.1	80%	0.797	58%	0.581	S	S	*	*			trans	-38.8	123.7	-175.8	53.3	0	0	0	0	115.5
462	M	24.4	Very low	26.5	Very low	170 Å²	170	101 Å²	101	84%	0.837	60%	0.599	S	S	*	*			trans	-133.6	118	144.5	-69.5	-168.5	85.6	0	0	109.1	T464	M462-T464 PolarHBondContact O-N 3.36Å
463	S	23.1	Very low	26.5	Very low	122 Å²	122	102.2 Å²	102.2	85%	0.853	60%	0.601	S	S	*	*			trans	-62.1	103.5	159.7	45.6	0	0	0	0	108.6
464	T	24.7	Very low	26.1	Very low	103 Å²	103	112.1 Å²	112.1	63%	0.632	64%	0.635	S	S	*	*			trans	-136.5	115.2	159.5	22.5	0	0	0	0	107.3	M462 W466	M462-T464 PolarHBondContact O-N 3.36Å; T464-W466 PolarHBondContact O-N 3.27Å
465	S	22.5	Very low	26.2	Very low	119 Å²	119	116.7 Å²	116.7	83%	0.832	66%	0.658	S	S	*	*			trans	-51.2	117.9	170.3	42.8	0	0	0	0	110.2
466	W	23.1	Very low	26	Very low	224 Å²	224	121.5 Å²	121.5	85%	0.848	69%	0.688	S	S	*	*			trans	-115.9	128.5	162.9	-80.5	60.6	0	0	0	107.7	T464	T464-W466 PolarHBondContact O-N 3.27Å
467	P	23.9	Very low	26.1	Very low	118 Å²	118	130 Å²	130	77%	0.766	74%	0.743	S	S	*	*			trans	-65.4	138	168.3	-4.5	20	0	0	0	108.3	A469	P467-A469 PolarHBondContact O-N 2.95Å
468	L	24.1	Very low	26.1	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	76%	0.757	S	S	*	*			trans	-57.8	108.9	166.3	-86.9	92.8	0	0	0	108.6	T470	L468-T470 HydrophobicContact CB-CG2 4.35Å; L468-T470 HydrophobicContact CD2-CG2 4.27Å; L468-T470 PolarHBondContact O-N 2.98Å; L468-T470 VanDerWaalsContact O-N 3.07Å
469	A	24.5	Very low	26.1	Very low	100 Å²	100	138.2 Å²	138.2	83%	0.826	79%	0.787	S	S	*	*			trans	-76.4	84.2	154.7	0	0	0	0	0	107.5	P467 H471	P467-A469 PolarHBondContact O-N 2.95Å; A469-H471 PolarHBondContact O-N 3.15Å
470	T	25.9	Very low	26.1	Very low	110 Å²	110	142.8 Å²	142.8	68%	0.675	81%	0.806	S	S	*	*			trans	-63.4	105.5	160.9	39.7	0	0	0	0	109.2	L468	L468-T470 HydrophobicContact CB-CG2 4.35Å; L468-T470 HydrophobicContact CD2-CG2 4.27Å; L468-T470 PolarHBondContact O-N 2.98Å; L468-T470 VanDerWaalsContact O-N 3.07Å
471	H	25.4	Very low	26.1	Very low	177 Å²	177	145.6 Å²	145.6	82%	0.819	81%	0.814	S	S	*	*			trans	-125.3	68.1	152.8	-102.6	-69.9	0	0	0	108.3	A469	A469-H471 PolarHBondContact O-N 3.15Å
472	L	29.8	Very low	26.3	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	82%	0.815	S	S	*	*	S	Bend	trans	-119.9	116.9	153.6	-89.8	160.7	0	0	0	105	R474	L472-R474 PolarHBondContact O-N 3.22Å; L472-R474 VanDerWaalsContact O-N 3.11Å
473	H	28.8	Very low	26.4	Very low	149 Å²	149	146.1 Å²	146.1	69%	0.69	81%	0.814	S	S	*	*			trans	-45.2	115.5	-175.8	-83.9	64	0	0	0	110.9
474	R	25.8	Very low	26.6	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	81%	0.811	S	S	*	*			trans	-94.8	89.1	167	-159.7	-178.3	-156.6	-140.4	4.3	105.8	L472 T476	L472-R474 PolarHBondContact O-N 3.22Å; L472-R474 VanDerWaalsContact O-N 3.11Å; R474-T476 PolarHBondContact O-N 2.89Å
475	T	32.1	Very low	26.8	Very low	119 Å²	119	151.2 Å²	151.2	73%	0.73	83%	0.825	S	S	*	*			trans	-83.6	108.1	165.2	-9.6	0	0	0	0	106.6	C477	T475-C477 PolarHBondContact O-N 3.05Å
476	T	29.9	Very low	27.1	Very low	120 Å²	120	153.9 Å²	153.9	74%	0.736	82%	0.824	S	S	*	*			trans	-63	116.2	166.8	32.5	0	0	0	0	110.3	R474	R474-T476 PolarHBondContact O-N 2.89Å
477	C	32.5	Very low	27.5	Very low	205 Å²	205	147.5 Å²	147.5	100%	1.385	82%	0.822	S	S	*	*			trans	-165.4	0	137.5	-98.7	0	0	0	0	108.2	T475	T475-C477 PolarHBondContact O-N 3.05Å

Retrieved 477 of 477 residues in 549.2 ms (Link to these results)

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